| 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 | 43.1 | Very low | 185 Ų | 185 | 121.4 Ų | 121.4 | 91% | 0.911 | 61% | 0.614 | S | S | * | * | 0 | -71.8 | 0 | -72.2 | -60.3 | -149.9 | 0 | 0 | 112.1 | L3 L4 L5 | M1-L3 PolarHBondContact O-N 3.38Å; M1-L4 PolarHBondContact O-N 3.27Å; M1-L5 PolarHBondContact O-N 3.33Å | |||
| 2 | G | 43.6 | Very low | 42.9 | Very low | 50 Ų | 50 | 119.4 Ų | 119.4 | 52% | 0.515 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -63.6 | -36.8 | -173.6 | 0 | 0 | 0 | 0 | 0 | 117 | L5 L6 | G2-L5 PolarHBondContact O-N 2.88Å; G2-L6 PolarHBondContact O-N 3.45Å |
| 3 | L | 38 | Very low | 42.8 | Very low | 142 Ų | 142 | 118.5 Ų | 118.5 | 74% | 0.743 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -71.4 | -29.1 | 180 | -88.1 | 150.8 | 0 | 0 | 0 | 113.8 | M1 R7 | M1-L3 PolarHBondContact O-N 3.38Å; L3-R7 PolarHBondContact O-N 3.26Å |
| 4 | L | 41.4 | Very low | 42.4 | Very low | 117 Ų | 117 | 115.1 Ų | 115.1 | 61% | 0.613 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -74.8 | -43.6 | 174.2 | -85.4 | 156.2 | 0 | 0 | 0 | 110.4 | M1 L6 R7 W8 | M1-L4 PolarHBondContact O-N 3.27Å; L4-L6 VanDerWaalsContact C-N 3.33Å; L4-L6 PolarHBondContact O-N 2.99Å; L4-R7 PolarHBondContact O-N 3.01Å; L4-W8 PolarHBondContact O-N 3.37Å |
| 5 | L | 43.3 | Very low | 42 | Very low | 114 Ų | 114 | 111.9 Ų | 111.9 | 60% | 0.597 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -62.3 | -37.6 | 174.7 | -77 | 161.7 | 0 | 0 | 0 | 112.5 | M1 G2 W8 C9 | M1-L5 PolarHBondContact O-N 3.33Å; G2-L5 PolarHBondContact O-N 2.88Å; L5-W8 CarbonylContact O-C 3.54Å; L5-W8 PolarHBondContact O-N 3.33Å; L5-C9 PolarHBondContact O-N 2.99Å |
| 6 | L | 39.8 | Very low | 41.6 | Very low | 114 Ų | 114 | 113.8 Ų | 113.8 | 60% | 0.597 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -67.3 | -38 | 176 | -126.1 | 99.8 | 0 | 0 | 0 | 112.4 | G2 L4 W8 C9 I10 | G2-L6 PolarHBondContact O-N 3.45Å; L4-L6 VanDerWaalsContact C-N 3.33Å; L4-L6 PolarHBondContact O-N 2.99Å; L6-W8 VanDerWaalsContact C-N 3.3Å; L6-C9 PolarHBondContact O-N 3.08Å; L6-I10 WeakPolarHBondContact O-CG1 3.4Å; L6-I10 PolarHBondContact O-N 2.94Å |
| 7 | R | 48.3 | Very low | 41.2 | Very low | 182 Ų | 182 | 112.1 Ų | 112.1 | 69% | 0.687 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -65.3 | -38.2 | 174.8 | -142.1 | 178.2 | -171.9 | -169.7 | 1.1 | 110.7 | L3 L4 I10 I11 | L3-R7 PolarHBondContact O-N 3.26Å; L4-R7 PolarHBondContact O-N 3.01Å; R7-I10 PolarHBondContact O-N 2.88Å; R7-I11 WeakPolarHBondContact O-CD1 3.47Å; R7-I11 WeakPolarHBondContact O-CG1 3.31Å; R7-I11 PolarHBondContact O-N 3.45Å |
| 8 | W | 41.2 | Very low | 40.8 | Very low | 167 Ų | 167 | 108.2 Ų | 108.2 | 63% | 0.633 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -67.7 | -37.7 | 172.3 | -83.1 | 61.9 | 0 | 0 | 0 | 112.8 | L4 L5 L6 I11 L12 | L4-W8 PolarHBondContact O-N 3.37Å; L5-W8 CarbonylContact O-C 3.54Å; L5-W8 PolarHBondContact O-N 3.33Å; L6-W8 VanDerWaalsContact C-N 3.3Å; W8-I11 PolarHBondContact O-N 3.16Å; W8-L12 VanDerWaalsContact O-CB 3.22Å; W8-L12 WeakPolarHBondContact O-CB 3.39Å; W8-L12 WeakPolarHBondContact O-CD1 3.3Å; W8-L12 VanDerWaalsContact O-CG 3.3Å; W8-L12 WeakPolarHBondContact O-CG 3Å; W8-L12 PolarHBondContact O-N 2.77Å |
| 9 | C | 44 | Very low | 40.5 | Very low | 67 Ų | 67 | 108.6 Ų | 108.6 | 45% | 0.453 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -66.1 | -40.3 | 173.5 | -81.6 | 0 | 0 | 0 | 0 | 111.9 | L5 L6 L12 I13 | L5-C9 PolarHBondContact O-N 2.99Å; L6-C9 PolarHBondContact O-N 3.08Å; C9-L12 PolarHBondContact O-N 2.79Å; C9-I13 VanDerWaalsContact O-CB 3.31Å; C9-I13 WeakPolarHBondContact O-CB 3.39Å; C9-I13 WeakPolarHBondContact O-CD1 3.31Å; C9-I13 WeakPolarHBondContact O-CG1 3.17Å; C9-I13 PolarHBondContact O-N 3Å |
| 10 | I | 49.1 | Very low | 40 | Very low | 101 Ų | 101 | 108.1 Ų | 108.1 | 52% | 0.518 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -66 | -41.9 | 174.9 | -64.5 | 165.3 | 0 | 0 | 0 | 110 | L6 R7 I13 S14 | L6-I10 WeakPolarHBondContact O-CG1 3.4Å; L6-I10 PolarHBondContact O-N 2.94Å; R7-I10 PolarHBondContact O-N 2.88Å; I10-I13 PolarHBondContact O-N 2.67Å; I10-S14 VanDerWaalsContact O-CB 3.31Å; I10-S14 WeakPolarHBondContact O-CB 3.16Å; I10-S14 PolarHBondContact O-N 2.97Å; I10-S14 PolarHBondContact O-OG 3.4Å |
| 11 | I | 47.6 | Very low | 39.8 | Very low | 96 Ų | 96 | 105.8 Ų | 105.8 | 49% | 0.492 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -64.1 | -42.4 | 174.4 | -66.9 | 164.3 | 0 | 0 | 0 | 110.7 | R7 W8 S14 V15 | R7-I11 WeakPolarHBondContact O-CD1 3.47Å; R7-I11 WeakPolarHBondContact O-CG1 3.31Å; R7-I11 PolarHBondContact O-N 3.45Å; W8-I11 PolarHBondContact O-N 3.16Å; I11-S14 PolarHBondContact O-N 3.49Å; I11-V15 HydrophobicContact CG2-CG2 4.12Å; I11-V15 VanDerWaalsContact O-CB 3.24Å; I11-V15 WeakPolarHBondContact O-CB 3.22Å; I11-V15 WeakPolarHBondContact O-CG2 3.45Å; I11-V15 PolarHBondContact O-N 2.89Å |
| 12 | L | 41 | Very low | 39.7 | Very low | 98 Ų | 98 | 104 Ų | 104 | 51% | 0.513 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -68.5 | -33.5 | 177.7 | -81.1 | 162.2 | 0 | 0 | 0 | 112.6 | W8 C9 K16 | W8-L12 VanDerWaalsContact O-CB 3.22Å; W8-L12 WeakPolarHBondContact O-CB 3.39Å; W8-L12 WeakPolarHBondContact O-CD1 3.3Å; W8-L12 VanDerWaalsContact O-CG 3.3Å; W8-L12 WeakPolarHBondContact O-CG 3Å; W8-L12 PolarHBondContact O-N 2.77Å; C9-L12 PolarHBondContact O-N 2.79Å; L12-K16 WeakPolarHBondContact O-CA 3.23Å; L12-K16 WeakPolarHBondContact O-CB 3.49Å; L12-K16 WeakPolarHBondContact O-CG 3.47Å; L12-K16 PolarHBondContact O-N 2.77Å |
| 13 | I | 41.1 | Very low | 39.3 | Very low | 108 Ų | 108 | 103.9 Ų | 103.9 | 55% | 0.554 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -74.7 | -40.5 | 174.2 | -67.2 | 162.7 | 0 | 0 | 0 | 109.5 | C9 I10 K16 V17 | C9-I13 VanDerWaalsContact O-CB 3.31Å; C9-I13 WeakPolarHBondContact O-CB 3.39Å; C9-I13 WeakPolarHBondContact O-CD1 3.31Å; C9-I13 WeakPolarHBondContact O-CG1 3.17Å; C9-I13 PolarHBondContact O-N 3Å; I10-I13 PolarHBondContact O-N 2.67Å; I13-K16 CarbonylContact O-C 3.51Å; I13-K16 PolarHBondContact O-N 2.89Å; I13-V17 HydrophobicContact CG2-CG2 4.17Å; I13-V17 VanDerWaalsContact O-CB 3.27Å; I13-V17 WeakPolarHBondContact O-CB 3.09Å; I13-V17 WeakPolarHBondContact O-CG2 3.41Å; I13-V17 PolarHBondContact O-N 3.5Å |
| 14 | S | 38.1 | Very low | 39 | Very low | 71 Ų | 71 | 105.3 Ų | 105.3 | 50% | 0.497 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -67 | -37.9 | 174.4 | -62 | 0 | 0 | 0 | 0 | 111.9 | I10 I11 V17 A18 | I10-S14 VanDerWaalsContact O-CB 3.31Å; I10-S14 WeakPolarHBondContact O-CB 3.16Å; I10-S14 PolarHBondContact O-N 2.97Å; I10-S14 PolarHBondContact O-OG 3.4Å; I11-S14 PolarHBondContact O-N 3.49Å; S14-V17 PolarHBondContact O-N 2.88Å; S14-A18 WeakPolarHBondContact O-CB 3.17Å; S14-A18 PolarHBondContact O-N 3.12Å |
| 15 | V | 36.4 | Very low | 38.9 | Very low | 67 Ų | 67 | 103.2 Ų | 103.2 | 41% | 0.406 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -74.1 | -35.3 | 174.9 | 172.9 | 0 | 0 | 0 | 0 | 110.7 | I11 A18 N19 | I11-V15 HydrophobicContact CG2-CG2 4.12Å; I11-V15 VanDerWaalsContact O-CB 3.24Å; I11-V15 WeakPolarHBondContact O-CB 3.22Å; I11-V15 WeakPolarHBondContact O-CG2 3.45Å; I11-V15 PolarHBondContact O-N 2.89Å; V15-A18 PolarHBondContact O-N 2.97Å; V15-N19 WeakPolarHBondContact CG1-ND2 3.28Å; V15-N19 WeakPolarHBondContact O-CB 3.36Å; V15-N19 PolarHBondContact O-N 3.09Å; V15-N19 PolarHBondContact O-ND2 3.19Å |
| 16 | K | 34.5 | Very low | 38.4 | Very low | 142 Ų | 142 | 104.1 Ų | 104.1 | 62% | 0.617 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -67.6 | -40.5 | 169.8 | -91 | -170.5 | 171.4 | -174.5 | 0 | 111.1 | L12 I13 A18 N19 L20 | L12-K16 WeakPolarHBondContact O-CA 3.23Å; L12-K16 WeakPolarHBondContact O-CB 3.49Å; L12-K16 WeakPolarHBondContact O-CG 3.47Å; L12-K16 PolarHBondContact O-N 2.77Å; I13-K16 CarbonylContact O-C 3.51Å; I13-K16 PolarHBondContact O-N 2.89Å; K16-A18 VanDerWaalsContact C-N 3.33Å; K16-N19 CarbonylContact O-C 3.56Å; K16-N19 PolarHBondContact O-N 2.78Å; K16-L20 HydrophobicContact CB-CD1 4.03Å; K16-L20 WeakPolarHBondContact O-CA 3Å; K16-L20 WeakPolarHBondContact O-CB 3.35Å; K16-L20 VanDerWaalsContact O-CD1 3.25Å; K16-L20 WeakPolarHBondContact O-CD1 3.04Å; K16-L20 WeakPolarHBondContact O-CG 3.44Å; K16-L20 PolarHBondContact O-N 3.11Å |
| 17 | V | 34.6 | Very low | 38.5 | Very low | 84 Ų | 84 | 106.5 Ų | 106.5 | 51% | 0.509 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -70.5 | -32.2 | 176.6 | 173.7 | 0 | 0 | 0 | 0 | 110.6 | I13 S14 Q21 | I13-V17 HydrophobicContact CG2-CG2 4.17Å; I13-V17 VanDerWaalsContact O-CB 3.27Å; I13-V17 WeakPolarHBondContact O-CB 3.09Å; I13-V17 WeakPolarHBondContact O-CG2 3.41Å; I13-V17 PolarHBondContact O-N 3.5Å; S14-V17 PolarHBondContact O-N 2.88Å; V17-Q21 VanDerWaalsContact O-CG 3.28Å; V17-Q21 WeakPolarHBondContact O-CG 3.37Å; V17-Q21 PolarHBondContact O-N 3.09Å |
| 18 | A | 35.2 | Very low | 38.3 | Very low | 43 Ų | 43 | 110 Ų | 110 | 36% | 0.355 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -75.2 | -30.4 | 173 | 0 | 0 | 0 | 0 | 0 | 113.2 | S14 V15 K16 Q21 | S14-A18 WeakPolarHBondContact O-CB 3.17Å; S14-A18 PolarHBondContact O-N 3.12Å; V15-A18 PolarHBondContact O-N 2.97Å; K16-A18 VanDerWaalsContact C-N 3.33Å; A18-Q21 WeakPolarHBondContact O-CB 3.39Å |
| 19 | N | 35.1 | Very low | 38.9 | Very low | 115 Ų | 115 | 104.2 Ų | 104.2 | 62% | 0.615 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -93.7 | -14 | 175.3 | -72.1 | -26.8 | 0 | 0 | 0 | 113.3 | V15 K16 | V15-N19 WeakPolarHBondContact CG1-ND2 3.28Å; V15-N19 WeakPolarHBondContact O-CB 3.36Å; V15-N19 PolarHBondContact O-N 3.09Å; V15-N19 PolarHBondContact O-ND2 3.19Å; K16-N19 CarbonylContact O-C 3.56Å; K16-N19 PolarHBondContact O-N 2.78Å |
| 20 | L | 29.2 | Very low | 39.6 | Very low | 99 Ų | 99 | 102.7 Ų | 102.7 | 52% | 0.518 | 52% | 0.521 | S | S | . | . | S | Bend | trans | -87.4 | 10.3 | 167.1 | -74.2 | 158 | 0 | 0 | 0 | 111.3 | K16 E22 F24 | K16-L20 HydrophobicContact CB-CD1 4.03Å; K16-L20 WeakPolarHBondContact O-CA 3Å; K16-L20 WeakPolarHBondContact O-CB 3.35Å; K16-L20 VanDerWaalsContact O-CD1 3.25Å; K16-L20 WeakPolarHBondContact O-CD1 3.04Å; K16-L20 WeakPolarHBondContact O-CG 3.44Å; K16-L20 PolarHBondContact O-N 3.11Å; L20-E22 PolarHBondContact O-N 2.98Å; L20-F24 HydrophobicContact CD2-CE2 3.77Å; L20-F24 HydrophobicContact CD2-CZ 4.48Å |
| 21 | Q | 36.8 | Very low | 40.6 | Very low | 59 Ų | 59 | 102 Ų | 102 | 28% | 0.276 | 53% | 0.525 | S | S | . | . | trans | -80 | 4.8 | 174.2 | -92.3 | 167.4 | 1.7 | 0 | 0 | 113.6 | V17 A18 P23 | V17-Q21 VanDerWaalsContact O-CG 3.28Å; V17-Q21 WeakPolarHBondContact O-CG 3.37Å; V17-Q21 PolarHBondContact O-N 3.09Å; A18-Q21 WeakPolarHBondContact O-CB 3.39Å; Q21-P23 WeakPolarHBondContact O-CD 2.97Å | ||
| 22 | E | 35.5 | Very low | 42.3 | Very low | 147 Ų | 147 | 103.1 Ų | 103.1 | 69% | 0.687 | 53% | 0.528 | S | S | * | . | S | Bend | trans | -69.1 | 118.9 | 156.2 | -70.5 | -170.3 | 166.2 | 0 | 0 | 107.6 | L20 F24 | L20-E22 PolarHBondContact O-N 2.98Å; E22-F24 PolarHBondContact O-N 3.06Å |
| 23 | P | 35.7 | Very low | 44.5 | Very low | 49 Ų | 49 | 98.5 Ų | 98.5 | 32% | 0.318 | 51% | 0.505 | S | S | . | . | trans | -54.2 | 120.6 | 171 | -14.5 | 25.8 | 0 | 0 | 0 | 107 | Q21 D25 Y223 | Q21-P23 WeakPolarHBondContact O-CD 2.97Å; P23-D25 PolarHBondContact O-N 2.9Å; P23-Y223 WeakPolarHBondContact CB-OH 3.44Å; P23-Y223 WeakPolarHBondContact CG-OH 3.37Å | ||
| 24 | F | 31.4 | Very low | 46.7 | Very low | 171 Ų | 171 | 95.8 Ų | 95.8 | 75% | 0.75 | 49% | 0.493 | S | S | * | . | trans | -64.3 | 77.5 | 158 | -86.7 | -90.8 | 0 | 0 | 0 | 106.4 | L20 E22 T26 | L20-F24 HydrophobicContact CD2-CE2 3.77Å; L20-F24 HydrophobicContact CD2-CZ 4.48Å; E22-F24 PolarHBondContact O-N 3.06Å; F24-T26 VanDerWaalsContact C-N 3.25Å; F24-T26 PolarHBondContact O-N 3.21Å | ||
| 25 | D | 38.8 | Very low | 48.8 | Very low | 73 Ų | 73 | 94.7 Ų | 94.7 | 39% | 0.39 | 48% | 0.481 | S | S | . | . | trans | -69.2 | 95.7 | 170.4 | -150.4 | -15.2 | 0 | 0 | 0 | 105 | P23 R27 | P23-D25 PolarHBondContact O-N 2.9Å; D25-R27 CarbonylContact O-C 3.59Å; D25-R27 PolarHBondContact O-N 3.18Å | ||
| 26 | T | 33.8 | Very low | 50.7 | Low | 134 Ų | 134 | 99.6 Ų | 99.6 | 82% | 0.822 | 50% | 0.504 | S | S | * | . | S | Bend | trans | -61.3 | -3.5 | 178.4 | 44.6 | 0 | 0 | 0 | 0 | 112.1 | F24 | F24-T26 VanDerWaalsContact C-N 3.25Å; F24-T26 PolarHBondContact O-N 3.21Å |
| 27 | R | 42 | Very low | 52.7 | Low | 164 Ų | 164 | 98.8 Ų | 98.8 | 62% | 0.619 | 51% | 0.506 | S | S | * | . | S | Bend | trans | -112 | 108.2 | 164.7 | -70.8 | 178 | 176.6 | 177.3 | -1.5 | 108.8 | D25 V29 | D25-R27 CarbonylContact O-C 3.59Å; D25-R27 PolarHBondContact O-N 3.18Å; R27-V29 PolarHBondContact O-N 2.74Å |
| 28 | W | 42.6 | Very low | 54.9 | Low | 254 Ų | 254 | 97.2 Ų | 97.2 | 96% | 0.962 | 51% | 0.507 | S | S | * | . | trans | -54.4 | 98.5 | 168.5 | -73.3 | 71.4 | 0 | 0 | 0 | 109.6 | S30 | W28-S30 PolarHBondContact O-N 2.85Š| ||
| 29 | V | 54.9 | Low | 57.3 | Low | 46 Ų | 46 | 101.9 Ų | 101.9 | 28% | 0.279 | 52% | 0.519 | S | S | . | . | trans | -74.9 | 114.8 | 164.9 | -178.6 | 0 | 0 | 0 | 0 | 106.1 | R27 M42 F227 | R27-V29 PolarHBondContact O-N 2.74Å; V29-M42 HydrophobicContact CG1-CE 4.2Å; V29-F227 HydrophobicContact CG2-CE2 4Å; V29-F227 HydrophobicContact CG2-CZ 4.39Å | ||
| 30 | S | 59 | Low | 59.8 | Low | 36 Ų | 36 | 98.6 Ų | 98.6 | 25% | 0.252 | 50% | 0.504 | S | S | . | . | trans | -60.6 | 140.8 | -178.1 | -173.6 | 0 | 0 | 0 | 0 | 110.8 | W28 E32 | W28-S30 PolarHBondContact O-N 2.85Å; S30-E32 PolarHBondContact O-N 2.98Å; S30-E32 WeakPolarHBondContact OG-CB 3.43Å; S30-E32 PolarHBondContact OG-N 3.01Å; S30-E32 PolarHBondContact OG-O 2.77Å | ||
| 31 | S | 69.8 | Low | 62.7 | Low | 85 Ų | 85 | 96.8 Ų | 96.8 | 59% | 0.594 | 49% | 0.493 | S | S | * | . | S | Bend | trans | -70.1 | -13.5 | 165.1 | 51.5 | 0 | 0 | 0 | 0 | 112.3 | N285 | S31-N285 VanDerWaalsContact O-CB 3.29Å; S31-N285 WeakPolarHBondContact O-CB 3.39Å; S31-N285 PolarHBondContact O-ND2 3.29Å |
| 32 | E | 82.8 | Confident | 65.3 | Low | 120 Ų | 120 | 94.4 Ų | 94.4 | 56% | 0.561 | 48% | 0.482 | S | S | * | . | S | Bend | trans | -94.3 | 133.1 | 179.3 | -57.2 | -175.6 | 163.1 | 0 | 0 | 111.2 | S30 V34 Q41 | S30-E32 PolarHBondContact O-N 2.98Å; S30-E32 WeakPolarHBondContact OG-CB 3.43Å; S30-E32 PolarHBondContact OG-N 3.01Å; S30-E32 PolarHBondContact OG-O 2.77Å; E32-V34 VanDerWaalsContact C-N 3.3Å; E32-V34 PolarHBondContact O-N 3.25Å; E32-Q41 WeakPolarHBondContact O-CG 3.3Å; E32-Q41 PolarHBondContact O-NE2 2.03Å |
| 33 | C | 87.9 | Confident | 67.8 | Low | 2 Ų | 2 | 87.4 Ų | 87.4 | 1% | 0.014 | 45% | 0.449 | C | S | . | . | S | Bend | trans | -83.7 | -1.4 | -179.3 | -53.9 | 0 | 0 | 0 | 0 | 114 | P40 Q41 C43 D304 H307 | C33-P40 WeakPolarHBondContact O-CA 3.46Å; C33-Q41 PolarHBondContact O-N 2.02Å; C33-Q41 VanDerWaalsContact O-O 3.12Å; C33-C43 VanDerWaalsContact CA-SG 3.58Å; C33-C43 HydrophobicContact CB-CB 3.78Å; C33-C43 WeakPolarHBondContact CB-SG 3.3Å; C33-C43 WeakPolarHBondContact SG-CB 3.4Å; C33-C43 CovalentContact SG-SG 2.03Å; C33-C43 PolarHBondContact SG-SG 2.93Å; C33-D304 HydrophobicContact CB-CB 3.69Å; C33-D304 WeakPolarHBondContact CB-OD2 3.28Å; C33-H307 PolarHBondContact O-NE2 2.65Å |
| 34 | V | 87.5 | Confident | 70.1 | Confident | 51 Ų | 51 | 85.8 Ų | 85.8 | 31% | 0.309 | 44% | 0.437 | S | S | . | . | B | Isolated β-bridge | trans | -129 | 144.1 | 175.3 | -69.6 | 0 | 0 | 0 | 0 | 110.4 | E32 K39 Q41 A306 | E32-V34 VanDerWaalsContact C-N 3.3Å; E32-V34 PolarHBondContact O-N 3.25Å; V34-K39 CarbonylContact C-O 3.36Å; V34-K39 VanDerWaalsContact CA-O 3.27Å; V34-K39 WeakPolarHBondContact CA-O 3.03Å; V34-Q41 VanDerWaalsContact C-NE2 3.28Å; V34-Q41 PolarHBondContact O-NE2 3.29Å; V34-A306 HydrophobicContact CG1-CB 3.65Å |
| 35 | D | 80.8 | Confident | 72.7 | Confident | 48 Ų | 48 | 78 Ų | 78 | 26% | 0.257 | 40% | 0.403 | S | S | . | . | trans | -78.2 | 177 | 174.8 | 77.8 | 2.5 | 0 | 0 | 0 | 111.9 | N37 G38 K39 | D35-N37 PolarHBondContact O-N 3.39Å; D35-N37 VanDerWaalsContact OD1-CA 3.31Å; D35-N37 WeakPolarHBondContact OD1-CA 3.15Å; D35-N37 WeakPolarHBondContact OD1-CB 3.01Å; D35-N37 PolarHBondContact OD1-N 2.04Å; D35-G38 PolarHBondContact O-N 2.88Å; D35-G38 PolarHBondContact OD1-N 3.45Å; D35-K39 PolarHBondContact N-O 3.33Å; D35-K39 PolarHBondContact OD1-N 2.79Å | ||
| 36 | I | 77.3 | Confident | 74.8 | Confident | 170 Ų | 170 | 79.3 Ų | 79.3 | 87% | 0.872 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -16.2 | 178.8 | 60.1 | 167.3 | 0 | 0 | 0 | 114.4 | ||
| 37 | N | 76.8 | Confident | 77.1 | Confident | 124 Ų | 124 | 76.5 Ų | 76.5 | 66% | 0.663 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101 | 2.8 | 178.2 | -55 | -57.9 | 0 | 0 | 0 | 112.2 | D35 | D35-N37 PolarHBondContact O-N 3.39Å; D35-N37 VanDerWaalsContact OD1-CA 3.31Å; D35-N37 WeakPolarHBondContact OD1-CA 3.15Å; D35-N37 WeakPolarHBondContact OD1-CB 3.01Å; D35-N37 PolarHBondContact OD1-N 2.04Å |
| 38 | G | 79.3 | Confident | 79.1 | Confident | 51 Ų | 51 | 72.2 Ų | 72.2 | 53% | 0.526 | 39% | 0.385 | S | S | . | . | S | Bend | trans | 78.5 | 14 | -177 | 0 | 0 | 0 | 0 | 0 | 114.8 | D35 | D35-G38 PolarHBondContact O-N 2.88Å; D35-G38 PolarHBondContact OD1-N 3.45Å |
| 39 | K | 85.6 | Confident | 81.1 | Confident | 141 Ų | 141 | 62 Ų | 62 | 61% | 0.613 | 35% | 0.351 | S | S | * | . | trans | -83.8 | 143.5 | 174.4 | -68.6 | -175 | 177.4 | -179.4 | 0 | 110.8 | V34 D35 Q41 | V34-K39 CarbonylContact C-O 3.36Å; V34-K39 VanDerWaalsContact CA-O 3.27Å; V34-K39 WeakPolarHBondContact CA-O 3.03Å; D35-K39 PolarHBondContact N-O 3.33Å; D35-K39 PolarHBondContact OD1-N 2.79Å; K39-Q41 PolarHBondContact O-N 3.41Å | ||
| 40 | P | 88.7 | Confident | 82.4 | Confident | 46 Ų | 46 | 60 Ų | 60 | 30% | 0.299 | 34% | 0.34 | S | S | . | . | B | Isolated β-bridge | trans | -62.8 | 136.1 | 178.2 | 24.5 | -32.2 | 0 | 0 | 0 | 111.2 | C33 A306 A334 P336 | C33-P40 WeakPolarHBondContact O-CA 3.46Å; P40-A306 HydrophobicContact CB-CB 4.17Å; P40-A334 HydrophobicContact CB-CB 4.07Å; P40-A334 WeakPolarHBondContact O-CB 3.41Å; P40-P336 HydrophobicContact CG-CB 4.19Å; P40-P336 HydrophobicContact CG-CG 3.91Å |
| 41 | Q | 90.7 | Very high | 83.5 | Confident | 61 Ų | 61 | 58.3 Ų | 58.3 | 29% | 0.285 | 33% | 0.328 | S | S | . | . | trans | -133.9 | 157.7 | 174.2 | 66.1 | 175.7 | -18.6 | 0 | 0 | 109.9 | E32 C33 V34 K39 C43 H307 | E32-Q41 WeakPolarHBondContact O-CG 3.3Å; E32-Q41 PolarHBondContact O-NE2 2.03Å; C33-Q41 PolarHBondContact O-N 2.02Å; C33-Q41 VanDerWaalsContact O-O 3.12Å; V34-Q41 VanDerWaalsContact C-NE2 3.28Å; V34-Q41 PolarHBondContact O-NE2 3.29Å; K39-Q41 PolarHBondContact O-N 3.41Å; Q41-C43 PolarHBondContact O-N 3.39Å; Q41-H307 PolarHBondContact O-CE1 2.68Å; Q41-H307 VanDerWaalsContact O-CE1 3.29Å; Q41-H307 PolarHBondContact O-NE2 3.03Å | ||
| 42 | M | 89.5 | Confident | 84.1 | Confident | 9 Ų | 9 | 56 Ų | 56 | 4% | 0.044 | 31% | 0.314 | C | S | . | . | trans | -62 | 135.9 | 178.1 | 175.6 | -171.1 | 160 | 0 | 0 | 111.7 | V29 Y44 F227 A329 T330 P331 | V29-M42 HydrophobicContact CG1-CE 4.2Å; M42-Y44 HydrophobicContact CE-CD2 3.5Å; M42-Y44 HydrophobicContact CE-CE2 3.11Å; M42-Y44 HydrophobicContact CG-CD2 4.14Å; M42-Y44 HydrophobicContact CG-CE2 3.95Å; M42-Y44 HydrophobicContact SD-CE2 4.24Å; M42-F227 HydrophobicContact CE-CB 3.96Å; M42-F227 HydrophobicContact CE-CD1 3.11Å; M42-F227 HydrophobicContact CE-CD2 3.73Å; M42-F227 HydrophobicContact CE-CE1 3.31Å; M42-F227 HydrophobicContact CE-CE2 3.92Å; M42-F227 HydrophobicContact CE-CG 3.32Å; M42-F227 HydrophobicContact CE-CZ 3.71Å; M42-A329 HydrophobicContact CB-CB 4.08Å; M42-A329 HydrophobicContact CG-CB 4.15Å; M42-T330 VanDerWaalsContact SD-CA 3.55Å; M42-P331 HydrophobicContact CE-CG 4.19Å; M42-P331 HydrophobicContact SD-CB 4.26Å; M42-P331 WeakPolarHBondContact SD-CD 3.21Å; M42-P331 HydrophobicContact SD-CG 3.6Å | ||
| 43 | C | 89.1 | Confident | 83.6 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 32% | 0.324 | C | S | . | . | B | Isolated β-bridge | trans | -140.9 | 150.4 | 177.5 | 60 | 0 | 0 | 0 | 0 | 112 | C33 Q41 G282 N285 | C33-C43 VanDerWaalsContact CA-SG 3.58Å; C33-C43 HydrophobicContact CB-CB 3.78Å; C33-C43 WeakPolarHBondContact CB-SG 3.3Å; C33-C43 WeakPolarHBondContact SG-CB 3.4Å; C33-C43 CovalentContact SG-SG 2.03Å; C33-C43 PolarHBondContact SG-SG 2.93Å; Q41-C43 PolarHBondContact O-N 3.39Å; C43-G282 PolarHBondContact N-O 2.85Å; C43-G282 VanDerWaalsContact N-O 3.09Å; C43-G282 CarbonylContact O-C 3.41Å; C43-G282 WeakPolarHBondContact O-CA 3.02Å; C43-N285 HydrophobicContact CB-CB 4.34Å |
| 44 | Y | 83.5 | Confident | 83.1 | Confident | 16 Ų | 16 | 58.5 Ų | 58.5 | 6% | 0.063 | 33% | 0.329 | C | S | . | . | trans | -136.9 | 153 | -179.3 | -90.3 | -101.1 | 0 | 0 | 0 | 112.2 | M42 F227 | M42-Y44 HydrophobicContact CE-CD2 3.5Å; M42-Y44 HydrophobicContact CE-CE2 3.11Å; M42-Y44 HydrophobicContact CG-CD2 4.14Å; M42-Y44 HydrophobicContact CG-CE2 3.95Å; M42-Y44 HydrophobicContact SD-CE2 4.24Å; Y44-F227 HydrophobicContact CD1-CE1 4.44Å; Y44-F227 HydrophobicContact CD2-CE1 4.04Å; Y44-F227 HydrophobicContact CE1-CE1 4.1Å; Y44-F227 AromaticContact CE2-CD1 3.96Å; Y44-F227 HydrophobicContact CE2-CD1 3.96Å; Y44-F227 AromaticContact CE2-CE1 3.72Å; Y44-F227 HydrophobicContact CE2-CE1 3.72Å; Y44-F227 HydrophobicContact CG-CE1 4.39Å; Y44-F227 AromaticContact CZ-CD1 3.89Å; Y44-F227 AromaticContact CZ-CE1 3.71Å | ||
| 45 | P | 86.7 | Confident | 82.9 | Confident | 7 Ų | 7 | 62.9 Ų | 62.9 | 5% | 0.045 | 34% | 0.344 | C | S | . | . | P | Polyproline II helix | trans | -67.1 | 153.4 | 173.4 | -19.3 | 34.3 | 0 | 0 | 0 | 112.8 | C278 C280 G284 N285 | P45-C278 HydrophobicContact CB-CB 4.25Å; P45-C278 HydrophobicContact CG-CB 4.09Å; P45-C280 HydrophobicContact CG-CB 4.39Å; P45-C280 VanDerWaalsContact CG-SG 3.55Å; P45-G284 VanDerWaalsContact CD-O 3.31Å; P45-G284 WeakPolarHBondContact CD-O 3.29Å; P45-N285 WeakPolarHBondContact CA-O 3.31Å |
| 46 | P | 82.1 | Confident | 83.3 | Confident | 100 Ų | 100 | 60.7 Ų | 60.7 | 65% | 0.649 | 33% | 0.332 | S | S | * | . | P | Polyproline II helix | trans | -63.7 | 155.2 | 179.7 | 26.9 | -34.8 | 0 | 0 | 0 | 112.4 | ||
| 47 | F | 82.9 | Confident | 84 | Confident | 75 Ų | 75 | 56 Ų | 56 | 33% | 0.329 | 31% | 0.311 | S | S | . | . | P | Polyproline II helix | trans | -68.6 | 134.1 | 175.4 | -169.6 | -93.2 | 0 | 0 | 0 | 110.7 | N139 Y140 G275 R277 | F47-N139 HydrophobicContact CE2-CB 3.86Å; F47-N139 HydrophobicContact CZ-CB 4.31Å; F47-Y140 HydrophobicContact CE1-CE1 4.05Å; F47-Y140 HydrophobicContact CZ-CD1 4.25Å; F47-Y140 AromaticContact CZ-CE1 3.63Å; F47-Y140 HydrophobicContact CZ-CE1 3.63Å; F47-G275 VanDerWaalsContact CZ-C 3.42Å; F47-G275 VanDerWaalsContact CZ-CA 3.49Å; F47-R277 HydrophobicContact CB-CG 4.24Å; F47-R277 HydrophobicContact CD2-CG 4.03Å |
| 48 | T | 83.3 | Confident | 84.7 | Confident | 75 Ų | 75 | 51.2 Ų | 51.2 | 46% | 0.46 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 166.9 | -178.4 | -169.3 | 0 | 0 | 0 | 0 | 112.3 | V50 G276 | T48-V50 PolarHBondContact O-N 3.25Å; T48-G276 PolarHBondContact N-O 2.78Å; T48-G276 PolarHBondContact O-N 3.14Å; T48-G276 VanDerWaalsContact O-O 3.07Å |
| 49 | S | 84.2 | Confident | 85.3 | Confident | 38 Ų | 38 | 53.1 Ų | 53.1 | 27% | 0.266 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 100.9 | 166.9 | 175.1 | 0 | 0 | 0 | 0 | 109.1 | A51 A52 V274 | S49-A51 PolarHBondContact O-N 2.88Å; S49-A52 VanDerWaalsContact O-CB 3.29Å; S49-A52 WeakPolarHBondContact O-CB 3.08Å; S49-A52 PolarHBondContact O-N 3.4Å; S49-V274 CarbonylContact C-O 3.59Å; S49-V274 WeakPolarHBondContact CA-O 3.32Å |
| 50 | V | 83.1 | Confident | 85.6 | Confident | 6 Ų | 6 | 47.1 Ų | 47.1 | 4% | 0.036 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -28.4 | -178.4 | -167.4 | 0 | 0 | 0 | 0 | 112.3 | T48 A52 R54 L132 F136 V274 | T48-V50 PolarHBondContact O-N 3.25Å; V50-A52 VanDerWaalsContact C-N 3.32Å; V50-R54 VanDerWaalsContact O-CG 3.27Å; V50-R54 WeakPolarHBondContact O-CG 3.29Å; V50-L132 HydrophobicContact CB-CD2 4.38Å; V50-L132 HydrophobicContact CG1-CB 3.81Å; V50-L132 HydrophobicContact CG1-CD1 4.07Å; V50-L132 HydrophobicContact CG1-CD2 3.74Å; V50-L132 HydrophobicContact CG1-CG 4.06Å; V50-F136 HydrophobicContact CB-CD1 4.08Å; V50-F136 HydrophobicContact CB-CE1 4.26Å; V50-F136 HydrophobicContact CB-CG 4.32Å; V50-F136 HydrophobicContact CG1-CB 4.22Å; V50-F136 HydrophobicContact CG1-CD1 3.52Å; V50-F136 HydrophobicContact CG1-CD2 3.4Å; V50-F136 VanDerWaalsContact CG1-CD2 3.4Å; V50-F136 HydrophobicContact CG1-CE1 3.63Å; V50-F136 HydrophobicContact CG1-CE2 3.49Å; V50-F136 VanDerWaalsContact CG1-CE2 3.49Å; V50-F136 HydrophobicContact CG1-CG 3.43Å; V50-F136 VanDerWaalsContact CG1-CG 3.43Å; V50-F136 HydrophobicContact CG1-CZ 3.63Å; V50-F136 HydrophobicContact CG2-CB 4.25Å; V50-F136 HydrophobicContact CG2-CD1 3.34Å; V50-F136 HydrophobicContact CG2-CE1 3.79Å; V50-F136 HydrophobicContact CG2-CG 3.85Å; V50-V274 HydrophobicContact CB-CB 4.31Å; V50-V274 HydrophobicContact CB-CG1 4.13Å; V50-V274 HydrophobicContact CG2-CG1 4.35Å; V50-V274 PolarHBondContact N-O 2.03Å |
| 51 | A | 82.8 | Confident | 85.8 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -15 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | S49 R54 T101 I130 V274 | S49-A51 PolarHBondContact O-N 2.88Å; A51-R54 PolarHBondContact O-N 2.8Å; A51-T101 HydrophobicContact CB-CG2 3.96Å; A51-T101 WeakPolarHBondContact O-CB 3.45Å; A51-T101 WeakPolarHBondContact O-CG2 3.31Å; A51-I130 HydrophobicContact CB-CD1 3.49Å; A51-I130 VanDerWaalsContact CB-CD1 3.49Å; A51-V274 HydrophobicContact CB-CB 4.04Å; A51-V274 HydrophobicContact CB-CG2 3.92Å |
| 52 | A | 80.5 | Confident | 85.9 | Confident | 36 Ų | 36 | 42.5 Ų | 42.5 | 30% | 0.298 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | 138.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | S49 V50 R54 | S49-A52 VanDerWaalsContact O-CB 3.29Å; S49-A52 WeakPolarHBondContact O-CB 3.08Å; S49-A52 PolarHBondContact O-N 3.4Å; V50-A52 VanDerWaalsContact C-N 3.32Å; A52-R54 PolarHBondContact O-N 2.97Å; A52-R54 VanDerWaalsContact O-N 3.08Å |
| 53 | D | 72.5 | Confident | 86 | Confident | 146 Ų | 146 | 42.1 Ų | 42.1 | 78% | 0.781 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.1 | 17.3 | -178.4 | -52 | -40.5 | 0 | 0 | 0 | 114.8 | ||
| 54 | R | 78.5 | Confident | 86 | Confident | 29 Ų | 29 | 48.5 Ų | 48.5 | 11% | 0.109 | 27% | 0.268 | C | S | . | . | P | Polyproline II helix | trans | -101.2 | 141.8 | 175.1 | -64.4 | -51.6 | -163.9 | 174.6 | 13.8 | 111.7 | V50 A51 A52 V56 I130 L132 | V50-R54 VanDerWaalsContact O-CG 3.27Å; V50-R54 WeakPolarHBondContact O-CG 3.29Å; A51-R54 PolarHBondContact O-N 2.8Å; A52-R54 PolarHBondContact O-N 2.97Å; A52-R54 VanDerWaalsContact O-N 3.08Å; R54-V56 PolarHBondContact O-N 3.19Å; R54-I130 HydrophobicContact CB-CD1 4.07Å; R54-I130 HydrophobicContact CB-CG1 4.13Å; R54-L132 PolarHBondContact NE-O 2.72Å; R54-L132 PolarHBondContact NH2-O 3.43Å |
| 55 | K | 83 | Confident | 86 | Confident | 143 Ų | 143 | 57.5 Ų | 57.5 | 62% | 0.622 | 30% | 0.302 | S | S | * | . | P | Polyproline II helix | trans | -74.9 | 116.9 | 177.2 | -173.4 | 173.6 | -175.9 | 174.4 | 0 | 109.7 | ||
| 56 | V | 88.8 | Confident | 86 | Confident | 2 Ų | 2 | 58 Ų | 58 | 1% | 0.012 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 135.5 | 169.6 | -171.7 | 0 | 0 | 0 | 0 | 108.6 | R54 P97 M100 T101 I130 L272 | R54-V56 PolarHBondContact O-N 3.19Å; V56-P97 HydrophobicContact CB-CB 4.18Å; V56-P97 HydrophobicContact CG1-CB 4.33Å; V56-P97 WeakPolarHBondContact O-CB 3.27Å; V56-M100 HydrophobicContact CB-CE 4.18Å; V56-M100 HydrophobicContact CG1-CE 3.52Å; V56-T101 HydrophobicContact CG2-CG2 3.66Å; V56-I130 HydrophobicContact CG2-CD1 4.01Å; V56-I130 HydrophobicContact CG2-CG1 4.27Å; V56-L272 HydrophobicContact CG2-CD2 4.17Å |
| 57 | T | 91.7 | Very high | 86.4 | Confident | 70 Ų | 70 | 59.4 Ų | 59.4 | 43% | 0.429 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 128.2 | 174.3 | 56.4 | 0 | 0 | 0 | 0 | 109.8 | L128 T129 | T57-L128 CarbonylContact O-C 3.54Å; T57-L128 WeakPolarHBondContact O-CA 3.27Å; T57-T129 PolarHBondContact N-O 2.04Å; T57-T129 PolarHBondContact O-N 3.47Å; T57-T129 WeakPolarHBondContact OG1-CB 3.45Å; T57-T129 PolarHBondContact OG1-O 3.43Å |
| 58 | A | 93.1 | Very high | 86.8 | Confident | 24 Ų | 24 | 56.9 Ų | 56.9 | 20% | 0.198 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 139.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | N60 P97 W109 N127 L128 | A58-N60 PolarHBondContact O-N 3.38Å; A58-P97 HydrophobicContact CB-CB 4.18Å; A58-P97 HydrophobicContact CB-CG 3.51Å; A58-W109 HydrophobicContact CB-CZ2 4.11Å; A58-N127 WeakPolarHBondContact CA-O 3.46Å; A58-L128 HydrophobicContact CB-CD2 3.42Å; A58-L128 VanDerWaalsContact CB-CD2 3.42Å |
| 59 | T | 91.5 | Very high | 87.2 | Confident | 92 Ų | 92 | 56.8 Ų | 56.8 | 56% | 0.564 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -74.2 | -12 | 172.3 | 54.6 | 0 | 0 | 0 | 0 | 113.5 | N127 | T59-N127 HydrophobicContact CG2-CB 3.75Å; T59-N127 PolarHBondContact N-O 3.35Å; T59-N127 PolarHBondContact OG1-N 2.96Å |
| 60 | N | 91.7 | Very high | 87.5 | Confident | 14 Ų | 14 | 55.1 Ų | 55.1 | 8% | 0.075 | 27% | 0.271 | C | S | . | . | trans | -148.8 | 124.3 | 179.4 | -173.6 | -97.9 | 0 | 0 | 0 | 110.3 | A58 W109 S111 E112 L120 V126 | A58-N60 PolarHBondContact O-N 3.38Å; N60-W109 VanDerWaalsContact O-CZ2 3.25Å; N60-W109 WeakPolarHBondContact O-CZ2 3.39Å; N60-W109 PolarHBondContact O-NE1 3.48Å; N60-S111 WeakPolarHBondContact OD1-CB 3.26Å; N60-E112 PolarHBondContact ND2-OE2 3.25Å; N60-E112 WeakPolarHBondContact OD1-CB 3.1Å; N60-E112 PolarHBondContact OD1-N 2.93Å; N60-L120 HydrophobicContact CB-CD1 4.33Å; N60-V126 HydrophobicContact CB-CG1 4.1Å; N60-V126 HydrophobicContact CB-CG2 4.14Å | ||
| 61 | T | 93.4 | Very high | 87.7 | Confident | 7 Ų | 7 | 54.8 Ų | 54.8 | 4% | 0.043 | 27% | 0.269 | C | S | . | . | trans | -138 | 136.7 | 176.7 | -54.4 | 0 | 0 | 0 | 0 | 108.2 | W109 Q110 | T61-W109 PolarHBondContact OG1-NE1 3.33Å; T61-Q110 WeakPolarHBondContact CA-O 3.3Å | ||
| 62 | C | 93.1 | Very high | 87.5 | Confident | 3 Ų | 3 | 56.4 Ų | 56.4 | 2% | 0.02 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | 154.8 | 178.6 | 66.2 | 0 | 0 | 0 | 0 | 112.3 | E64 C86 Q110 | C62-E64 VanDerWaalsContact C-N 3.3Å; C62-E64 PolarHBondContact O-N 3.36Å; C62-C86 HydrophobicContact CB-CB 3.7Å; C62-C86 WeakPolarHBondContact CB-SG 2.97Å; C62-C86 PolarHBondContact O-SG 2.76Å; C62-C86 VanDerWaalsContact O-SG 3.34Å; C62-C86 WeakPolarHBondContact SG-CB 3.32Å; C62-C86 CovalentContact SG-SG 2.03Å; C62-C86 PolarHBondContact SG-SG 2.03Å; C62-Q110 PolarHBondContact N-O 3.12Å |
| 63 | G | 90.6 | Very high | 86.8 | Confident | 1 Ų | 1 | 56.6 Ų | 56.6 | 1% | 0.01 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 83.1 | -10.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | R65 G66 A88 | G63-R65 PolarHBondContact O-N 2.82Å; G63-G66 CarbonylContact C-O 3.53Å; G63-G66 WeakPolarHBondContact CA-O 3.18Å; G63-G66 PolarHBondContact O-N 3.22Å; G63-A88 PolarHBondContact O-N 3.5Å |
| 64 | E | 88.5 | Confident | 85.9 | Confident | 134 Ų | 134 | 53.2 Ų | 53.2 | 63% | 0.626 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -34.6 | -177.2 | -68.6 | -172.8 | 165.8 | 0 | 0 | 113.3 | C62 | C62-E64 VanDerWaalsContact C-N 3.3Å; C62-E64 PolarHBondContact O-N 3.36Å |
| 65 | R | 83.6 | Confident | 84.5 | Confident | 205 Ų | 205 | 56 Ų | 56 | 77% | 0.774 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | -4.6 | 178.8 | -65 | 177.9 | 177.8 | 174.3 | 1.2 | 113.4 | G63 | G63-R65 PolarHBondContact O-N 2.82Š|
| 66 | G | 86.4 | Confident | 82.6 | Confident | 17 Ų | 17 | 54.9 Ų | 54.9 | 18% | 0.175 | 28% | 0.277 | C | S | . | . | S | Bend | trans | 135.3 | 172.9 | -174 | 0 | 0 | 0 | 0 | 0 | 112.1 | G63 Q68 | G63-G66 CarbonylContact C-O 3.53Å; G63-G66 WeakPolarHBondContact CA-O 3.18Å; G63-G66 PolarHBondContact O-N 3.22Å; G66-Q68 PolarHBondContact O-N 3.38Å |
| 67 | R | 91.8 | Very high | 80.5 | Confident | 131 Ų | 131 | 61.2 Ų | 61.2 | 49% | 0.494 | 32% | 0.322 | S | S | . | . | trans | -61.6 | 115.1 | -178.2 | -167.2 | 163.3 | -170.7 | -135.7 | 3.3 | 111.8 | Y85 C86 D87 E93 | R67-Y85 HydrophobicContact CG-CD1 3.94Å; R67-Y85 HydrophobicContact CG-CG 4.29Å; R67-C86 WeakPolarHBondContact CA-O 3.44Å; R67-D87 HydrophobicContact CB-CB 4.14Å; R67-D87 WeakPolarHBondContact CB-OD2 3.36Å; R67-D87 HydrophobicContact CG-CB 4.05Å; R67-E93 IonicContact CZ-OE1 3.52Å; R67-E93 IonicContact CZ-OE2 3.39Å; R67-E93 IonicContact NE-OE1 3.06Å; R67-E93 IonicContact NE-OE2 2.93Å; R67-E93 PolarHBondContact NE-OE2 2.88Å; R67-E93 IonicContact NH2-OE1 3.1Å; R67-E93 PolarHBondContact NH2-OE1 3.4Å; R67-E93 IonicContact NH2-OE2 3.83Å; R67-E93 PolarHBondContact NH2-OE2 2.68Å | ||
| 68 | Q | 90.8 | Very high | 78.3 | Confident | 21 Ų | 21 | 61.5 Ų | 61.5 | 10% | 0.098 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 143.9 | -177.9 | -74.9 | 165.7 | -21.2 | 0 | 0 | 110.5 | G66 Y85 C86 E112 | G66-Q68 PolarHBondContact O-N 3.38Å; Q68-Y85 CarbonylContact O-C 3.57Å; Q68-Y85 VanDerWaalsContact O-CA 3.24Å; Q68-Y85 WeakPolarHBondContact O-CA 3.34Å; Q68-C86 PolarHBondContact N-O 3.11Å; Q68-C86 PolarHBondContact O-N 2.9Å; Q68-E112 PolarHBondContact NE2-OE1 3.42Å |
| 69 | K | 91.4 | Very high | 75.8 | Confident | 74 Ų | 74 | 67.1 Ų | 67.1 | 32% | 0.322 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 142.1 | 176.7 | -173.2 | -178.3 | 176.7 | -165.8 | 0 | 108.5 | C83 Y85 L263 | K69-C83 HydrophobicContact CD-CB 4.48Å; K69-C83 VanDerWaalsContact CE-SG 3.6Å; K69-C83 HydrophobicContact CG-CB 4.29Å; K69-Y85 HydrophobicContact CB-CD1 4.14Å; K69-Y85 HydrophobicContact CB-CE1 3.92Å; K69-Y85 HydrophobicContact CG-CE1 4.14Å; K69-L263 HydrophobicContact CB-CD2 4.3Å; K69-L263 HydrophobicContact CD-CD1 4Å; K69-L263 HydrophobicContact CG-CD1 4.35Å; K69-L263 WeakPolarHBondContact O-CD2 3.38Å |
| 70 | Y | 90.9 | Very high | 73.6 | Confident | 2 Ų | 2 | 67.2 Ų | 67.2 | 1% | 0.008 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 157.1 | 169 | 72.9 | -88.1 | 0 | 0 | 0 | 109.9 | C83 Q84 C86 Q110 Y266 | Y70-C83 CarbonylContact O-C 3.55Å; Y70-C83 WeakPolarHBondContact O-CA 3.25Å; Y70-C83 WeakPolarHBondContact O-CB 3.02Å; Y70-Q84 HydrophobicContact CD1-CB 4.37Å; Y70-Q84 HydrophobicContact CE1-CB 3.68Å; Y70-Q84 HydrophobicContact CE2-CB 4.13Å; Y70-Q84 PolarHBondContact N-O 2.02Å; Y70-Q84 PolarHBondContact O-N 3.05Å; Y70-Q84 PolarHBondContact OH-OE1 3.1Å; Y70-C86 HydrophobicContact CD1-CB 4.19Å; Y70-C86 HydrophobicContact CE1-CB 4.26Å; Y70-Q110 VanDerWaalsContact CD1-NE2 3.26Å; Y70-Y266 HydrophobicContact CD2-CD1 4.48Å; Y70-Y266 AromaticContact CD2-CE1 3.74Å; Y70-Y266 HydrophobicContact CD2-CE1 3.74Å; Y70-Y266 HydrophobicContact CD2-CE2 4.39Å; Y70-Y266 AromaticContact CD2-CZ 3.67Å; Y70-Y266 HydrophobicContact CG-CE1 4.41Å |
| 71 | C | 87.4 | Confident | 71.7 | Confident | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 138.5 | -174.5 | -59.4 | 0 | 0 | 0 | 0 | 111.5 | C83 L263 T264 Y266 | C71-C83 HydrophobicContact CB-CB 4.09Å; C71-C83 WeakPolarHBondContact CB-SG 3.48Å; C71-C83 WeakPolarHBondContact SG-CB 3.49Å; C71-C83 CovalentContact SG-SG 2.05Å; C71-C83 PolarHBondContact SG-SG 2.92Å; C71-L263 HydrophobicContact CB-CB 4.23Å; C71-L263 PolarHBondContact N-O 3.01Å; C71-T264 HydrophobicContact CB-CG2 3.85Å; C71-T264 WeakPolarHBondContact O-CA 3.29Å; C71-Y266 WeakPolarHBondContact O-CE1 3.42Å |
| 72 | I | 77.6 | Confident | 70.6 | Confident | 34 Ų | 34 | 77.5 Ų | 77.5 | 17% | 0.174 | 42% | 0.418 | C | S | . | . | trans | -78.6 | 128.1 | 178.5 | -61.1 | 175.8 | 0 | 0 | 0 | 108.9 | M74 R82 Y208 | I72-M74 PolarHBondContact O-N 3.44Å; I72-R82 PolarHBondContact N-O 3.21Å; I72-Y208 HydrophobicContact CG2-CE1 4.06Å; I72-Y208 HydrophobicContact CG2-CE2 4.23Å; I72-Y208 WeakPolarHBondContact CG2-OH 3.48Å | ||
| 73 | H | 66.7 | Low | 70.2 | Confident | 40 Ų | 40 | 79.2 Ų | 79.2 | 19% | 0.185 | 43% | 0.43 | C | S | . | . | trans | -72.2 | 105.1 | 179.4 | -165.6 | -78.5 | 0 | 0 | 0 | 111 | Y208 F251 | H73-Y208 PolarHBondContact N-OH 2.9Å; H73-Y208 PolarHBondContact O-OH 2.04Å; H73-F251 AromaticContact CE1-CE2 3.82Å; H73-F251 AromaticContact NE2-CE2 3.47Å; H73-F251 WeakPolarHBondContact NE2-CE2 3.3Å | ||
| 74 | M | 54.4 | Low | 70.1 | Confident | 75 Ų | 75 | 82.5 Ų | 82.5 | 37% | 0.369 | 44% | 0.444 | S | S | . | . | trans | -106 | 118.2 | 177.2 | -62.4 | -162.7 | -60.5 | 0 | 0 | 110.2 | I72 N76 M79 A80 | I72-M74 PolarHBondContact O-N 3.44Å; M74-N76 PolarHBondContact O-N 3.25Å; M74-M79 HydrophobicContact CE-CB 3.54Å; M74-A80 WeakPolarHBondContact CE-O 3.25Å | ||
| 75 | S | 49.3 | Very low | 70.2 | Confident | 86 Ų | 86 | 80.9 Ų | 80.9 | 60% | 0.601 | 43% | 0.433 | S | S | * | . | S | Bend | trans | -69.2 | -14.8 | -177 | 62.7 | 0 | 0 | 0 | 0 | 114.4 | S77 | S75-S77 PolarHBondContact O-N 3.15Š|
| 76 | N | 42.8 | Very low | 70.6 | Confident | 121 Ų | 121 | 71.1 Ų | 71.1 | 65% | 0.647 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -87.8 | 107.3 | 179.5 | -83.2 | -2 | 0 | 0 | 0 | 110.3 | M74 G78 M79 | M74-N76 PolarHBondContact O-N 3.25Å; N76-G78 PolarHBondContact O-N 3.32Å; N76-M79 PolarHBondContact O-N 3.03Å |
| 77 | S | 43.9 | Very low | 70.9 | Confident | 135 Ų | 135 | 70.9 Ų | 70.9 | 94% | 0.944 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | 15.4 | -175.1 | -39.7 | 0 | 0 | 0 | 0 | 116.5 | S75 | S75-S77 PolarHBondContact O-N 3.15Š|
| 78 | G | 45.6 | Very low | 70.8 | Confident | 75 Ų | 75 | 66.9 Ų | 66.9 | 77% | 0.773 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.9 | -7.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | N76 | N76-G78 PolarHBondContact O-N 3.32Š|
| 79 | M | 40.5 | Very low | 70.6 | Confident | 142 Ų | 142 | 74.4 Ų | 74.4 | 70% | 0.7 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -109.3 | 129.4 | 177.6 | -72.6 | -173.1 | 167.1 | 0 | 0 | 110.6 | M74 N76 S81 | M74-M79 HydrophobicContact CE-CB 3.54Å; N76-M79 PolarHBondContact O-N 3.03Å; M79-S81 PolarHBondContact O-N 3.29Å |
| 80 | A | 45.2 | Very low | 70.6 | Confident | 94 Ų | 94 | 73.5 Ų | 73.5 | 78% | 0.777 | 41% | 0.412 | S | S | * | . | trans | -56.2 | 131.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | M74 R82 | M74-A80 WeakPolarHBondContact CE-O 3.25Å; A80-R82 PolarHBondContact O-N 3.5Å; A80-R82 VanDerWaalsContact O-N 3.14Å | ||
| 81 | S | 52.5 | Low | 70.2 | Confident | 55 Ų | 55 | 78 Ų | 78 | 39% | 0.385 | 44% | 0.441 | S | S | . | . | trans | -51.5 | 120.4 | 177.1 | 46.4 | 0 | 0 | 0 | 0 | 110.2 | M79 C83 | M79-S81 PolarHBondContact O-N 3.29Å; S81-C83 PolarHBondContact O-N 3.26Å; S81-C83 PolarHBondContact O-SG 2.73Å | ||
| 82 | R | 68.9 | Low | 70 | Confident | 182 Ų | 182 | 85.1 Ų | 85.1 | 69% | 0.687 | 48% | 0.48 | S | S | * | . | trans | -76.2 | 96.9 | 178.5 | -167 | 175.5 | -177.7 | 174.8 | -0.4 | 107.7 | I72 A80 | I72-R82 PolarHBondContact N-O 3.21Å; A80-R82 PolarHBondContact O-N 3.5Å; A80-R82 VanDerWaalsContact O-N 3.14Å | ||
| 83 | C | 84.6 | Confident | 70.6 | Confident | 40 Ų | 40 | 85.2 Ų | 85.2 | 27% | 0.27 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 145.9 | 178.9 | -53.4 | 0 | 0 | 0 | 0 | 111.7 | K69 Y70 C71 S81 | K69-C83 HydrophobicContact CD-CB 4.48Å; K69-C83 VanDerWaalsContact CE-SG 3.6Å; K69-C83 HydrophobicContact CG-CB 4.29Å; Y70-C83 CarbonylContact O-C 3.55Å; Y70-C83 WeakPolarHBondContact O-CA 3.25Å; Y70-C83 WeakPolarHBondContact O-CB 3.02Å; C71-C83 HydrophobicContact CB-CB 4.09Å; C71-C83 WeakPolarHBondContact CB-SG 3.48Å; C71-C83 WeakPolarHBondContact SG-CB 3.49Å; C71-C83 CovalentContact SG-SG 2.05Å; C71-C83 PolarHBondContact SG-SG 2.92Å; S81-C83 PolarHBondContact O-N 3.26Å; S81-C83 PolarHBondContact O-SG 2.73Å |
| 84 | Q | 88.9 | Confident | 71.8 | Confident | 69 Ų | 69 | 84.2 Ų | 84.2 | 32% | 0.322 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 179.7 | 176.5 | -62.7 | -174.7 | 23.1 | 0 | 0 | 109.2 | Y70 | Y70-Q84 HydrophobicContact CD1-CB 4.37Å; Y70-Q84 HydrophobicContact CE1-CB 3.68Å; Y70-Q84 HydrophobicContact CE2-CB 4.13Å; Y70-Q84 PolarHBondContact N-O 2.02Å; Y70-Q84 PolarHBondContact O-N 3.05Å; Y70-Q84 PolarHBondContact OH-OE1 3.1Å |
| 85 | Y | 91.1 | Very high | 73.7 | Confident | 100 Ų | 100 | 81.1 Ų | 81.1 | 39% | 0.392 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 145.5 | 178.2 | -66.8 | -86.1 | 0 | 0 | 0 | 110.3 | R67 Q68 K69 | R67-Y85 HydrophobicContact CG-CD1 3.94Å; R67-Y85 HydrophobicContact CG-CG 4.29Å; Q68-Y85 CarbonylContact O-C 3.57Å; Q68-Y85 VanDerWaalsContact O-CA 3.24Å; Q68-Y85 WeakPolarHBondContact O-CA 3.34Å; K69-Y85 HydrophobicContact CB-CD1 4.14Å; K69-Y85 HydrophobicContact CB-CE1 3.92Å; K69-Y85 HydrophobicContact CG-CE1 4.14Å |
| 86 | C | 92.1 | Very high | 75.8 | Confident | 1 Ų | 1 | 78.4 Ų | 78.4 | 1% | 0.007 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 125.3 | 170 | -179.5 | 0 | 0 | 0 | 0 | 109.1 | C62 R67 Q68 Y70 E93 | C62-C86 HydrophobicContact CB-CB 3.7Å; C62-C86 WeakPolarHBondContact CB-SG 2.97Å; C62-C86 PolarHBondContact O-SG 2.76Å; C62-C86 VanDerWaalsContact O-SG 3.34Å; C62-C86 WeakPolarHBondContact SG-CB 3.32Å; C62-C86 CovalentContact SG-SG 2.03Å; C62-C86 PolarHBondContact SG-SG 2.03Å; R67-C86 WeakPolarHBondContact CA-O 3.44Å; Q68-C86 PolarHBondContact N-O 3.11Å; Q68-C86 PolarHBondContact O-N 2.9Å; Y70-C86 HydrophobicContact CD1-CB 4.19Å; Y70-C86 HydrophobicContact CE1-CB 4.26Å; C86-E93 CarbonylContact C-O 3.5Å; C86-E93 VanDerWaalsContact CA-O 3.25Å; C86-E93 WeakPolarHBondContact CA-O 2.98Å |
| 87 | D | 92.7 | Very high | 78.2 | Confident | 12 Ų | 12 | 73.1 Ų | 73.1 | 6% | 0.064 | 41% | 0.414 | C | S | . | . | trans | -146.5 | 112.9 | 179.2 | -168 | -19.1 | 0 | 0 | 0 | 110 | R67 R89 N90 E93 | R67-D87 HydrophobicContact CB-CB 4.14Å; R67-D87 WeakPolarHBondContact CB-OD2 3.36Å; R67-D87 HydrophobicContact CG-CB 4.05Å; D87-R89 PolarHBondContact O-N 3.17Å; D87-R89 WeakPolarHBondContact OD1-CB 3.31Å; D87-R89 IonicContact OD1-CZ 2.71Å; D87-R89 PolarHBondContact OD1-N 2.86Å; D87-R89 IonicContact OD1-NE 2.92Å; D87-R89 PolarHBondContact OD1-NE 3.33Å; D87-R89 IonicContact OD1-NH2 3.74Å; D87-R89 PolarHBondContact OD1-NH2 3.31Å; D87-R89 IonicContact OD2-CZ 3.21Å; D87-R89 IonicContact OD2-NE 2.7Å; D87-R89 PolarHBondContact OD2-NE 2.95Å; D87-R89 IonicContact OD2-NH2 2.81Å; D87-R89 PolarHBondContact OD2-NH2 2.9Å; D87-N90 HydrophobicContact CB-CB 4.3Å; D87-N90 PolarHBondContact O-N 2.73Å; D87-E93 HydrophobicContact CB-CB 4.32Å; D87-E93 PolarHBondContact N-O 3.32Å | ||
| 88 | A | 89.2 | Confident | 80.3 | Confident | 46 Ų | 46 | 70.5 Ų | 70.5 | 38% | 0.38 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -17.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113 | G63 | G63-A88 PolarHBondContact O-N 3.5Š|
| 89 | R | 87.9 | Confident | 82.5 | Confident | 180 Ų | 180 | 69.7 Ų | 69.7 | 68% | 0.679 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -18.6 | 177.7 | -57.3 | 167.2 | -65.4 | 179.6 | 6.8 | 112.7 | D87 | D87-R89 PolarHBondContact O-N 3.17Å; D87-R89 WeakPolarHBondContact OD1-CB 3.31Å; D87-R89 IonicContact OD1-CZ 2.71Å; D87-R89 PolarHBondContact OD1-N 2.86Å; D87-R89 IonicContact OD1-NE 2.92Å; D87-R89 PolarHBondContact OD1-NE 3.33Å; D87-R89 IonicContact OD1-NH2 3.74Å; D87-R89 PolarHBondContact OD1-NH2 3.31Å; D87-R89 IonicContact OD2-CZ 3.21Å; D87-R89 IonicContact OD2-NE 2.7Å; D87-R89 PolarHBondContact OD2-NE 2.95Å; D87-R89 IonicContact OD2-NH2 2.81Å; D87-R89 PolarHBondContact OD2-NH2 2.9Å |
| 90 | N | 89.5 | Confident | 84.8 | Confident | 55 Ų | 55 | 63 Ų | 63 | 29% | 0.294 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -110.1 | 110.5 | 179.5 | -178.6 | 4.5 | 0 | 0 | 0 | 109.5 | D87 D92 E93 S94 | D87-N90 HydrophobicContact CB-CB 4.3Å; D87-N90 PolarHBondContact O-N 2.73Å; N90-D92 PolarHBondContact O-N 3.36Å; N90-D92 VanDerWaalsContact O-N 3.12Å; N90-D92 PolarHBondContact OD1-N 3.46Å; N90-E93 HydrophobicContact CB-CB 4.23Å; N90-E93 CarbonylContact O-C 3.52Å; N90-E93 PolarHBondContact O-N 3.44Å; N90-S94 VanDerWaalsContact O-CB 3.31Å; N90-S94 WeakPolarHBondContact O-CB 3.28Å; N90-S94 PolarHBondContact O-N 3.3Å |
| 91 | P | 83.4 | Confident | 86.7 | Confident | 95 Ų | 95 | 59.5 Ų | 59.5 | 62% | 0.617 | 30% | 0.297 | S | S | * | . | G | 310 helix | trans | -52.1 | -35.8 | -178.9 | -26.3 | 34.1 | 0 | 0 | 0 | 114.5 | E93 S94 | P91-E93 VanDerWaalsContact C-N 3.31Å; P91-E93 PolarHBondContact O-N 3.01Å; P91-S94 PolarHBondContact O-N 2.91Å |
| 92 | D | 83.4 | Confident | 87.9 | Confident | 151 Ų | 151 | 59.3 Ų | 59.3 | 81% | 0.807 | 29% | 0.292 | S | S | * | . | G | 310 helix | trans | -74.7 | -19.3 | -178.9 | -63.3 | -31.1 | 0 | 0 | 0 | 113.5 | N90 | N90-D92 PolarHBondContact O-N 3.36Å; N90-D92 VanDerWaalsContact O-N 3.12Å; N90-D92 PolarHBondContact OD1-N 3.46Å |
| 93 | E | 90 | Very high | 88.1 | Confident | 36 Ų | 36 | 60.2 Ų | 60.2 | 17% | 0.168 | 30% | 0.301 | C | S | . | . | G | 310 helix | trans | -112 | 3.9 | 177.4 | -64.7 | -176.7 | 167.5 | 0 | 0 | 111.7 | R67 C86 D87 N90 P91 | R67-E93 IonicContact CZ-OE1 3.52Å; R67-E93 IonicContact CZ-OE2 3.39Å; R67-E93 IonicContact NE-OE1 3.06Å; R67-E93 IonicContact NE-OE2 2.93Å; R67-E93 PolarHBondContact NE-OE2 2.88Å; R67-E93 IonicContact NH2-OE1 3.1Å; R67-E93 PolarHBondContact NH2-OE1 3.4Å; R67-E93 IonicContact NH2-OE2 3.83Å; R67-E93 PolarHBondContact NH2-OE2 2.68Å; C86-E93 CarbonylContact C-O 3.5Å; C86-E93 VanDerWaalsContact CA-O 3.25Å; C86-E93 WeakPolarHBondContact CA-O 2.98Å; D87-E93 HydrophobicContact CB-CB 4.32Å; D87-E93 PolarHBondContact N-O 3.32Å; N90-E93 HydrophobicContact CB-CB 4.23Å; N90-E93 CarbonylContact O-C 3.52Å; N90-E93 PolarHBondContact O-N 3.44Å; P91-E93 VanDerWaalsContact C-N 3.31Å; P91-E93 PolarHBondContact O-N 3.01Å |
| 94 | S | 92.1 | Very high | 87.9 | Confident | 18 Ų | 18 | 61.5 Ų | 61.5 | 13% | 0.126 | 31% | 0.305 | C | S | . | . | trans | -88.2 | 136.6 | -176.6 | -169.8 | 0 | 0 | 0 | 0 | 110.1 | N90 P91 P96 Y99 | N90-S94 VanDerWaalsContact O-CB 3.31Å; N90-S94 WeakPolarHBondContact O-CB 3.28Å; N90-S94 PolarHBondContact O-N 3.3Å; P91-S94 PolarHBondContact O-N 2.91Å; S94-P96 VanDerWaalsContact C-CD 3.44Å; S94-Y99 VanDerWaalsContact O-CE2 3.31Å; S94-Y99 WeakPolarHBondContact O-CE2 3.47Å | ||
| 95 | H | 94.2 | Very high | 87.2 | Confident | 11 Ų | 11 | 62.4 Ų | 62.4 | 5% | 0.051 | 32% | 0.316 | C | S | . | . | trans | -130.5 | 60.3 | 179.7 | -61.5 | -50.8 | 0 | 0 | 0 | 111.6 | W108 W109 Q110 | H95-W108 WeakPolarHBondContact CA-O 3.5Å; H95-W108 WeakPolarHBondContact CB-O 3.44Å; H95-W108 AromaticContact CD2-NE1 3.97Å; H95-W108 AromaticContact CE1-CE2 3.43Å; H95-W108 VanDerWaalsContact CE1-CE2 3.43Å; H95-W108 AromaticContact CE1-CH2 3.48Å; H95-W108 VanDerWaalsContact CE1-CH2 3.48Å; H95-W108 WeakPolarHBondContact CE1-CH2 3.3Å; H95-W108 AromaticContact CE1-CZ2 3.05Å; H95-W108 WeakPolarHBondContact CE1-CZ2 3.43Å; H95-W108 AromaticContact CE1-NE1 3.94Å; H95-W108 AromaticContact CG-NE1 3.76Å; H95-W108 AromaticContact ND1-CD2 3.99Å; H95-W108 AromaticContact ND1-CE2 3.51Å; H95-W108 AromaticContact ND1-CZ2 3.66Å; H95-W108 AromaticContact ND1-NE1 3.73Å; H95-W108 AromaticContact NE2-CE2 3.81Å; H95-W108 AromaticContact NE2-CZ2 3.33Å; H95-W108 VanDerWaalsContact NE2-CZ2 3.33Å; H95-W108 WeakPolarHBondContact NE2-CZ2 3.42Å; H95-W109 WeakPolarHBondContact O-CA 3.36Å; H95-Q110 HydrophobicContact CB-CB 3.69Å; H95-Q110 PolarHBondContact O-N 3.17Å | ||
| 96 | P | 93.9 | Very high | 86.8 | Confident | 28 Ų | 28 | 63.4 Ų | 63.4 | 18% | 0.182 | 33% | 0.329 | C | S | . | . | trans | -76.1 | 160 | -173 | 37.4 | -40.1 | 0 | 0 | 0 | 112.2 | S94 E98 Y99 | S94-P96 VanDerWaalsContact C-CD 3.44Å; P96-E98 WeakPolarHBondContact CB-OE2 3.45Å; P96-E98 PolarHBondContact O-N 3.15Å; P96-E98 VanDerWaalsContact O-N 3.15Å; P96-Y99 HydrophobicContact CG-CD1 4Å; P96-Y99 HydrophobicContact CG-CD2 4.27Å; P96-Y99 HydrophobicContact CG-CE1 4Å; P96-Y99 HydrophobicContact CG-CE2 4.28Å; P96-Y99 HydrophobicContact CG-CG 4.13Å; P96-Y99 WeakPolarHBondContact O-CB 3.01Å; P96-Y99 PolarHBondContact O-N 3.29Å; P96-Y99 VanDerWaalsContact O-N 3.12Å | ||
| 97 | P | 92.2 | Very high | 86.6 | Confident | 10 Ų | 10 | 65.1 Ų | 65.1 | 7% | 0.065 | 34% | 0.338 | C | S | . | . | G | 310 helix | trans | -57.8 | -29.3 | -176.7 | -26.6 | 36.3 | 0 | 0 | 0 | 114.7 | V56 A58 Y99 M100 W109 | V56-P97 HydrophobicContact CB-CB 4.18Å; V56-P97 HydrophobicContact CG1-CB 4.33Å; V56-P97 WeakPolarHBondContact O-CB 3.27Å; A58-P97 HydrophobicContact CB-CB 4.18Å; A58-P97 HydrophobicContact CB-CG 3.51Å; P97-Y99 PolarHBondContact O-N 2.84Å; P97-Y99 VanDerWaalsContact O-N 3.17Å; P97-M100 HydrophobicContact CB-CE 3.92Å; P97-M100 WeakPolarHBondContact O-CE 3.42Å; P97-M100 PolarHBondContact O-N 2.92Å; P97-M100 VanDerWaalsContact O-N 3.16Å; P97-W109 VanDerWaalsContact CA-CD1 3.48Å |
| 98 | E | 88.8 | Confident | 86.6 | Confident | 81 Ų | 81 | 66.2 Ų | 66.2 | 38% | 0.379 | 34% | 0.341 | S | S | . | . | G | 310 helix | trans | -60.8 | -22 | 179.1 | -65.4 | 80.2 | -176.9 | 0 | 0 | 113 | P96 M100 T101 | P96-E98 WeakPolarHBondContact CB-OE2 3.45Å; P96-E98 PolarHBondContact O-N 3.15Å; P96-E98 VanDerWaalsContact O-N 3.15Å; E98-M100 VanDerWaalsContact C-N 3.27Å; E98-M100 PolarHBondContact O-N 3.21Å; E98-T101 PolarHBondContact O-N 3.31Å; E98-T101 PolarHBondContact O-OG1 3.31Å |
| 99 | Y | 90.7 | Very high | 86.9 | Confident | 57 Ų | 57 | 64 Ų | 64 | 22% | 0.224 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -70.3 | -18.8 | 177.6 | -77.3 | 3.5 | 0 | 0 | 0 | 113.8 | S94 P96 P97 T101 N107 | S94-Y99 VanDerWaalsContact O-CE2 3.31Å; S94-Y99 WeakPolarHBondContact O-CE2 3.47Å; P96-Y99 HydrophobicContact CG-CD1 4Å; P96-Y99 HydrophobicContact CG-CD2 4.27Å; P96-Y99 HydrophobicContact CG-CE1 4Å; P96-Y99 HydrophobicContact CG-CE2 4.28Å; P96-Y99 HydrophobicContact CG-CG 4.13Å; P96-Y99 WeakPolarHBondContact O-CB 3.01Å; P96-Y99 PolarHBondContact O-N 3.29Å; P96-Y99 VanDerWaalsContact O-N 3.12Å; P97-Y99 PolarHBondContact O-N 2.84Å; P97-Y99 VanDerWaalsContact O-N 3.17Å; Y99-T101 VanDerWaalsContact C-N 3.3Å; Y99-T101 PolarHBondContact O-N 2.94Å; Y99-N107 HydrophobicContact CD1-CB 4.31Å; Y99-N107 HydrophobicContact CD2-CB 3.64Å; Y99-N107 HydrophobicContact CE2-CB 4.22Å; Y99-N107 HydrophobicContact CG-CB 3.7Å |
| 100 | M | 89.2 | Confident | 87.2 | Confident | 1 Ų | 1 | 55.5 Ų | 55.5 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | G | 310 helix | trans | -69.9 | -27.5 | 178.1 | -65.8 | -176.8 | -84.1 | 0 | 0 | 113.5 | V56 P97 E98 W109 L128 I269 K271 L272 | V56-M100 HydrophobicContact CB-CE 4.18Å; V56-M100 HydrophobicContact CG1-CE 3.52Å; P97-M100 HydrophobicContact CB-CE 3.92Å; P97-M100 WeakPolarHBondContact O-CE 3.42Å; P97-M100 PolarHBondContact O-N 2.92Å; P97-M100 VanDerWaalsContact O-N 3.16Å; E98-M100 VanDerWaalsContact C-N 3.27Å; E98-M100 PolarHBondContact O-N 3.21Å; M100-W109 HydrophobicContact CE-CB 3.82Å; M100-W109 HydrophobicContact CE-CD2 3.98Å; M100-W109 HydrophobicContact CE-CE3 4.27Å; M100-W109 HydrophobicContact CE-CG 3.78Å; M100-W109 HydrophobicContact CG-CB 3.39Å; M100-W109 HydrophobicContact CG-CG 4.31Å; M100-W109 HydrophobicContact SD-CB 3.81Å; M100-W109 HydrophobicContact SD-CD2 4.09Å; M100-W109 HydrophobicContact SD-CE3 3.83Å; M100-W109 HydrophobicContact SD-CG 4.12Å; M100-L128 HydrophobicContact CE-CD1 4.12Å; M100-L128 HydrophobicContact CE-CD2 4.02Å; M100-L128 HydrophobicContact SD-CD1 3.94Å; M100-I269 HydrophobicContact CG-CB 4Å; M100-I269 HydrophobicContact CG-CG2 3.94Å; M100-I269 HydrophobicContact SD-CB 3.63Å; M100-I269 HydrophobicContact SD-CD1 4.05Å; M100-I269 HydrophobicContact SD-CG1 4.38Å; M100-I269 HydrophobicContact SD-CG2 3.74Å; M100-K271 CarbonylContact O-C 3.52Å; M100-K271 WeakPolarHBondContact O-CA 3.21Å; M100-L272 HydrophobicContact CB-CB 3.9Å; M100-L272 PolarHBondContact O-N 3.46Å |
| 101 | T | 85.5 | Confident | 87.3 | Confident | 22 Ų | 22 | 52.9 Ų | 52.9 | 14% | 0.135 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -107 | 3.8 | -175.8 | 54 | 0 | 0 | 0 | 0 | 112.4 | A51 V56 E98 Y99 I130 L272 | A51-T101 HydrophobicContact CB-CG2 3.96Å; A51-T101 WeakPolarHBondContact O-CB 3.45Å; A51-T101 WeakPolarHBondContact O-CG2 3.31Å; V56-T101 HydrophobicContact CG2-CG2 3.66Å; E98-T101 PolarHBondContact O-N 3.31Å; E98-T101 PolarHBondContact O-OG1 3.31Å; Y99-T101 VanDerWaalsContact C-N 3.3Å; Y99-T101 PolarHBondContact O-N 2.94Å; T101-I130 HydrophobicContact CG2-CD1 4.46Å; T101-L272 HydrophobicContact CG2-CB 4.35Å; T101-L272 HydrophobicContact CG2-CD2 4.24Å; T101-L272 HydrophobicContact CG2-CG 4.32Å |
| 102 | D | 78.4 | Confident | 87.7 | Confident | 50 Ų | 50 | 48.7 Ų | 48.7 | 27% | 0.267 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -76.1 | 171.3 | 176.5 | 87.1 | 16.6 | 0 | 0 | 0 | 111.9 | N104 N107 | D102-N104 WeakPolarHBondContact OD1-CA 3.07Å; D102-N104 PolarHBondContact OD1-N 3.47Å; D102-N104 VanDerWaalsContact OD1-O 3.11Å; D102-N107 WeakPolarHBondContact OD2-CB 3.28Å; D102-N107 PolarHBondContact OD2-ND2 3.35Å |
| 103 | K | 71.8 | Confident | 88 | Confident | 202 Ų | 202 | 41.6 Ų | 41.6 | 88% | 0.878 | 21% | 0.211 | S | C | * | . | S | Bend | trans | -94.2 | 1.6 | 179.4 | -64.2 | -176.5 | -178.9 | 177.3 | 0 | 113 | P105 | K103-P105 WeakPolarHBondContact O-CD 3.46Š|
| 104 | N | 81.3 | Confident | 87.7 | Confident | 67 Ų | 67 | 40.1 Ų | 40.1 | 36% | 0.358 | 20% | 0.204 | S | C | . | . | trans | -96 | 109.3 | -174.5 | -177.7 | 2 | 0 | 0 | 0 | 110.5 | D102 N106 N107 | D102-N104 WeakPolarHBondContact OD1-CA 3.07Å; D102-N104 PolarHBondContact OD1-N 3.47Å; D102-N104 VanDerWaalsContact OD1-O 3.11Å; N104-N106 PolarHBondContact O-N 3.49Å; N104-N106 PolarHBondContact OD1-N 3.19Å; N104-N106 VanDerWaalsContact OD1-N 3.13Å; N104-N107 HydrophobicContact CB-CB 4.3Å; N104-N107 PolarHBondContact ND2-ND2 3.34Å; N104-N107 PolarHBondContact ND2-OD1 3.47Å; N104-N107 PolarHBondContact O-N 2.84Å | ||
| 105 | P | 74.4 | Confident | 87.3 | Confident | 87 Ų | 87 | 40 Ų | 40 | 57% | 0.565 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -16.2 | -176.5 | 29 | -36.3 | 0 | 0 | 0 | 113.7 | K103 N107 Q270 | K103-P105 WeakPolarHBondContact O-CD 3.46Å; P105-N107 VanDerWaalsContact C-N 3.33Å; P105-Q270 PolarHBondContact O-NE2 3.04Å |
| 106 | N | 81.5 | Confident | 86.8 | Confident | 122 Ų | 122 | 42.2 Ų | 42.2 | 65% | 0.652 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | -10.9 | 178.6 | -66.3 | -33.5 | 0 | 0 | 0 | 113.3 | N104 W108 | N104-N106 PolarHBondContact O-N 3.49Å; N104-N106 PolarHBondContact OD1-N 3.19Å; N104-N106 VanDerWaalsContact OD1-N 3.13Å; N106-W108 WeakPolarHBondContact O-CZ3 3.36Å |
| 107 | N | 88.7 | Confident | 86 | Confident | 36 Ų | 36 | 42.5 Ų | 42.5 | 19% | 0.193 | 22% | 0.217 | C | C | . | . | trans | -92.1 | 147.3 | 179.6 | -74.2 | -4.4 | 0 | 0 | 0 | 110.1 | Y99 D102 N104 P105 | Y99-N107 HydrophobicContact CD1-CB 4.31Å; Y99-N107 HydrophobicContact CD2-CB 3.64Å; Y99-N107 HydrophobicContact CE2-CB 4.22Å; Y99-N107 HydrophobicContact CG-CB 3.7Å; D102-N107 WeakPolarHBondContact OD2-CB 3.28Å; D102-N107 PolarHBondContact OD2-ND2 3.35Å; N104-N107 HydrophobicContact CB-CB 4.3Å; N104-N107 PolarHBondContact ND2-ND2 3.34Å; N104-N107 PolarHBondContact ND2-OD1 3.47Å; N104-N107 PolarHBondContact O-N 2.84Å; P105-N107 VanDerWaalsContact C-N 3.33Å | ||
| 108 | W | 92 | Very high | 85 | Confident | 35 Ų | 35 | 49.4 Ų | 49.4 | 13% | 0.133 | 25% | 0.246 | C | C | . | . | trans | -151.9 | 154.5 | 173.9 | 67.7 | 92.4 | 0 | 0 | 0 | 109.8 | H95 N106 K146 I269 Q270 | H95-W108 WeakPolarHBondContact CA-O 3.5Å; H95-W108 WeakPolarHBondContact CB-O 3.44Å; H95-W108 AromaticContact CD2-NE1 3.97Å; H95-W108 AromaticContact CE1-CE2 3.43Å; H95-W108 VanDerWaalsContact CE1-CE2 3.43Å; H95-W108 AromaticContact CE1-CH2 3.48Å; H95-W108 VanDerWaalsContact CE1-CH2 3.48Å; H95-W108 WeakPolarHBondContact CE1-CH2 3.3Å; H95-W108 AromaticContact CE1-CZ2 3.05Å; H95-W108 WeakPolarHBondContact CE1-CZ2 3.43Å; H95-W108 AromaticContact CE1-NE1 3.94Å; H95-W108 AromaticContact CG-NE1 3.76Å; H95-W108 AromaticContact ND1-CD2 3.99Å; H95-W108 AromaticContact ND1-CE2 3.51Å; H95-W108 AromaticContact ND1-CZ2 3.66Å; H95-W108 AromaticContact ND1-NE1 3.73Å; H95-W108 AromaticContact NE2-CE2 3.81Å; H95-W108 AromaticContact NE2-CZ2 3.33Å; H95-W108 VanDerWaalsContact NE2-CZ2 3.33Å; H95-W108 WeakPolarHBondContact NE2-CZ2 3.42Å; N106-W108 WeakPolarHBondContact O-CZ3 3.36Å; W108-K146 HydrophobicContact CB-CB 4.35Å; W108-K146 HydrophobicContact CD2-CD 3.83Å; W108-K146 HydrophobicContact CD2-CG 4.39Å; W108-K146 HydrophobicContact CE3-CD 4.28Å; W108-K146 HydrophobicContact CG-CB 4.34Å; W108-K146 HydrophobicContact CG-CD 4.05Å; W108-K146 HydrophobicContact CG-CG 4.36Å; W108-K146 VanDerWaalsContact CH2-NZ 3.26Å; W108-K146 HydrophobicContact CZ2-CD 4.38Å; W108-I269 WeakPolarHBondContact CA-O 3.14Å; W108-I269 WeakPolarHBondContact CB-O 3.04Å; W108-Q270 HydrophobicContact CB-CB 4.43Å | ||
| 109 | W | 95.1 | Very high | 84 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 145.4 | 164.7 | 163.6 | 73.5 | 0 | 0 | 0 | 110.2 | A58 N60 T61 H95 P97 M100 V126 L128 L245 F267 A268 I269 | A58-W109 HydrophobicContact CB-CZ2 4.11Å; N60-W109 VanDerWaalsContact O-CZ2 3.25Å; N60-W109 WeakPolarHBondContact O-CZ2 3.39Å; N60-W109 PolarHBondContact O-NE1 3.48Å; T61-W109 PolarHBondContact OG1-NE1 3.33Å; H95-W109 WeakPolarHBondContact O-CA 3.36Å; P97-W109 VanDerWaalsContact CA-CD1 3.48Å; M100-W109 HydrophobicContact CE-CB 3.82Å; M100-W109 HydrophobicContact CE-CD2 3.98Å; M100-W109 HydrophobicContact CE-CE3 4.27Å; M100-W109 HydrophobicContact CE-CG 3.78Å; M100-W109 HydrophobicContact CG-CB 3.39Å; M100-W109 HydrophobicContact CG-CG 4.31Å; M100-W109 HydrophobicContact SD-CB 3.81Å; M100-W109 HydrophobicContact SD-CD2 4.09Å; M100-W109 HydrophobicContact SD-CE3 3.83Å; M100-W109 HydrophobicContact SD-CG 4.12Å; W109-V126 HydrophobicContact CH2-CG1 3.68Å; W109-V126 HydrophobicContact CZ2-CG1 3.73Å; W109-L128 HydrophobicContact CD2-CD2 4.17Å; W109-L128 HydrophobicContact CE3-CD1 4.13Å; W109-L128 HydrophobicContact CE3-CD2 4.29Å; W109-L128 HydrophobicContact CH2-CD1 4.15Å; W109-L128 HydrophobicContact CH2-CD2 3.76Å; W109-L128 HydrophobicContact CH2-CG 4.29Å; W109-L128 HydrophobicContact CZ2-CD2 3.61Å; W109-L128 HydrophobicContact CZ3-CD1 3.8Å; W109-L128 HydrophobicContact CZ3-CD2 4.1Å; W109-L128 HydrophobicContact CZ3-CG 4.42Å; W109-L245 HydrophobicContact CH2-CD1 3.82Å; W109-L245 HydrophobicContact CZ3-CD1 3.9Å; W109-F267 HydrophobicContact CH2-CB 4.05Å; W109-F267 HydrophobicContact CZ3-CB 4.05Å; W109-A268 CarbonylContact O-C 3.57Å; W109-A268 WeakPolarHBondContact O-CA 3.46Å; W109-I269 HydrophobicContact CE3-CB 4.01Å; W109-I269 HydrophobicContact CE3-CD1 4.16Å; W109-I269 HydrophobicContact CE3-CG1 3.98Å; W109-I269 HydrophobicContact CZ3-CD1 3.96Å; W109-I269 HydrophobicContact CZ3-CG1 3.97Å; W109-I269 PolarHBondContact N-O 2.91Å; W109-I269 PolarHBondContact O-N 3.24Å |
| 110 | Q | 94.2 | Very high | 82.8 | Confident | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 137.4 | 178.5 | -175.5 | 173.3 | -49.5 | 0 | 0 | 113 | T61 C62 Y70 H95 Y266 F267 A268 | T61-Q110 WeakPolarHBondContact CA-O 3.3Å; C62-Q110 PolarHBondContact N-O 3.12Å; Y70-Q110 VanDerWaalsContact CD1-NE2 3.26Å; H95-Q110 HydrophobicContact CB-CB 3.69Å; H95-Q110 PolarHBondContact O-N 3.17Å; Q110-Y266 HydrophobicContact CG-CD2 3.66Å; Q110-Y266 HydrophobicContact CG-CE2 4.18Å; Q110-Y266 HydrophobicContact CG-CG 4.34Å; Q110-F267 WeakPolarHBondContact CA-O 3.5Å; Q110-A268 HydrophobicContact CB-CB 4.4Å; Q110-A268 HydrophobicContact CG-CB 4.36Å |
| 111 | S | 93 | Very high | 81.4 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | P | Polyproline II helix | trans | -80.1 | 165.5 | 172 | 79.6 | 0 | 0 | 0 | 0 | 112.2 | N60 F267 | N60-S111 WeakPolarHBondContact OD1-CB 3.26Å; S111-F267 PolarHBondContact N-O 2.81Å; S111-F267 PolarHBondContact OG-N 3.48Å |
| 112 | E | 91.2 | Very high | 80.3 | Confident | 7 Ų | 7 | 52.2 Ų | 52.2 | 3% | 0.033 | 26% | 0.26 | C | S | . | . | P | Polyproline II helix | trans | -59.2 | 157.1 | 165 | -64.2 | -176.1 | 132.6 | 0 | 0 | 111.1 | N60 Q68 D116 | N60-E112 PolarHBondContact ND2-OE2 3.25Å; N60-E112 WeakPolarHBondContact OD1-CB 3.1Å; N60-E112 PolarHBondContact OD1-N 2.93Å; Q68-E112 PolarHBondContact NE2-OE1 3.42Å; E112-D116 HydrophobicContact CB-CB 4.45Å |
| 113 | T | 89.3 | Confident | 79.6 | Confident | 3 Ų | 3 | 59.8 Ų | 59.8 | 2% | 0.018 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -82.7 | 159.3 | 175.4 | 73.1 | 0 | 0 | 0 | 0 | 111.5 | A115 D116 N117 Y265 Y266 | T113-A115 PolarHBondContact O-N 2.93Å; T113-A115 VanDerWaalsContact O-N 3.12Å; T113-A115 WeakPolarHBondContact OG1-CB 3.37Å; T113-A115 PolarHBondContact OG1-N 3.31Å; T113-D116 PolarHBondContact O-N 3.28Å; T113-D116 PolarHBondContact OG1-N 3.32Å; T113-D116 PolarHBondContact OG1-OD2 2.96Å; T113-N117 PolarHBondContact O-N 3.44Å; T113-Y265 VanDerWaalsContact CA-O 3.31Å; T113-Y265 WeakPolarHBondContact CA-O 3.44Å; T113-Y266 HydrophobicContact CG2-CD1 4.18Å |
| 114 | M | 84.5 | Confident | 79.7 | Confident | 4 Ų | 4 | 53.6 Ų | 53.6 | 2% | 0.02 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -18.9 | 170.8 | -73.2 | -175.4 | 77 | 0 | 0 | 113.8 | H121 F122 L262 Y265 | M114-H121 WeakPolarHBondContact CG-CD2 3.49Å; M114-F122 HydrophobicContact CE-CD2 3.79Å; M114-F122 HydrophobicContact CE-CE2 3.41Å; M114-F122 VanDerWaalsContact CE-CE2 3.41Å; M114-F122 HydrophobicContact CE-CZ 4.41Å; M114-L262 HydrophobicContact CB-CB 4.33Å; M114-L262 HydrophobicContact CB-CD2 4.06Å; M114-L262 PolarHBondContact N-O 2.91Å; M114-Y265 PolarHBondContact N-O 3.07Å; M114-Y265 VanDerWaalsContact SD-CB 3.53Å; M114-Y265 HydrophobicContact SD-CD2 3.83Å; M114-Y265 HydrophobicContact SD-CG 3.88Å |
| 115 | A | 84.4 | Confident | 79.9 | Confident | 16 Ų | 16 | 51.9 Ų | 51.9 | 13% | 0.132 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -34.9 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | T113 R259 L262 L263 | T113-A115 PolarHBondContact O-N 2.93Å; T113-A115 VanDerWaalsContact O-N 3.12Å; T113-A115 WeakPolarHBondContact OG1-CB 3.37Å; T113-A115 PolarHBondContact OG1-N 3.31Å; A115-R259 HydrophobicContact CB-CG 4.25Å; A115-L262 HydrophobicContact CB-CB 3.78Å; A115-L262 PolarHBondContact N-O 3.43Å; A115-L263 HydrophobicContact CB-CD2 3.64Å; A115-L263 HydrophobicContact CB-CG 4Å |
| 116 | D | 82.1 | Confident | 80.7 | Confident | 58 Ų | 58 | 47.8 Ų | 47.8 | 31% | 0.31 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -37.9 | -178.6 | -59.4 | -55.6 | 0 | 0 | 0 | 111.6 | E112 T113 | E112-D116 HydrophobicContact CB-CB 4.45Å; T113-D116 PolarHBondContact O-N 3.28Å; T113-D116 PolarHBondContact OG1-N 3.32Å; T113-D116 PolarHBondContact OG1-OD2 2.96Å |
| 117 | N | 77.2 | Confident | 81.3 | Confident | 33 Ų | 33 | 44 Ų | 44 | 18% | 0.176 | 21% | 0.209 | C | C | . | . | trans | -128.7 | 90.9 | 176.5 | -169.4 | -14.2 | 0 | 0 | 0 | 111.6 | T113 L119 L120 | T113-N117 PolarHBondContact O-N 3.44Å; N117-L119 PolarHBondContact O-N 2.62Å; N117-L119 VanDerWaalsContact O-N 3.15Å; N117-L119 PolarHBondContact OD1-N 3.45Å; N117-L120 HydrophobicContact CB-CB 4.11Å; N117-L120 WeakPolarHBondContact ND2-CD1 3.19Å; N117-L120 VanDerWaalsContact O-CB 3.25Å; N117-L120 WeakPolarHBondContact O-CB 3.45Å; N117-L120 PolarHBondContact O-N 3.15Å; N117-L120 PolarHBondContact OD1-N 2.87Å | ||
| 118 | K | 71.1 | Confident | 81.6 | Confident | 155 Ų | 155 | 42.5 Ų | 42.5 | 67% | 0.674 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -17 | -177.4 | -65.9 | -178.7 | 179.8 | -177.3 | 0 | 114.8 | ||
| 119 | L | 67.7 | Low | 81.7 | Confident | 95 Ų | 95 | 42.4 Ų | 42.4 | 50% | 0.497 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -20.7 | 179.7 | -65.8 | 174.2 | 0 | 0 | 0 | 112.5 | N117 H121 F122 R123 D124 | N117-L119 PolarHBondContact O-N 2.62Å; N117-L119 VanDerWaalsContact O-N 3.15Å; N117-L119 PolarHBondContact OD1-N 3.45Å; L119-H121 PolarHBondContact O-N 3.19Å; L119-F122 PolarHBondContact O-N 3.16Å; L119-R123 PolarHBondContact O-N 2.73Å; L119-R123 VanDerWaalsContact O-N 3.09Å; L119-D124 PolarHBondContact O-N 3.2Å |
| 120 | L | 66.3 | Low | 81.5 | Confident | 6 Ų | 6 | 42.6 Ų | 42.6 | 3% | 0.031 | 20% | 0.204 | C | C | . | . | B | Isolated β-bridge | trans | -58.5 | 133.1 | 173.7 | -138.4 | 78.4 | 0 | 0 | 0 | 109 | N60 N117 F122 V126 | N60-L120 HydrophobicContact CB-CD1 4.33Å; N117-L120 HydrophobicContact CB-CB 4.11Å; N117-L120 WeakPolarHBondContact ND2-CD1 3.19Å; N117-L120 VanDerWaalsContact O-CB 3.25Å; N117-L120 WeakPolarHBondContact O-CB 3.45Å; N117-L120 PolarHBondContact O-N 3.15Å; N117-L120 PolarHBondContact OD1-N 2.87Å; L120-F122 PolarHBondContact O-N 2.85Å; L120-V126 HydrophobicContact CD1-CG2 4Å; L120-V126 HydrophobicContact CD2-CG2 3.87Å; L120-V126 HydrophobicContact CG-CG2 3.9Å |
| 121 | H | 59.6 | Low | 81.3 | Confident | 12 Ų | 12 | 45.3 Ų | 45.3 | 6% | 0.056 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.6 | -8.6 | -177.9 | -36.9 | -62 | 0 | 0 | 0 | 117.1 | M114 L119 D124 M248 F267 | M114-H121 WeakPolarHBondContact CG-CD2 3.49Å; L119-H121 PolarHBondContact O-N 3.19Å; H121-D124 PolarHBondContact N-O 2.71Å; H121-M248 WeakPolarHBondContact CE1-CE 3.48Å; H121-M248 WeakPolarHBondContact NE2-CE 3.49Å; H121-F267 AromaticContact CE1-CD2 3.41Å; H121-F267 VanDerWaalsContact CE1-CD2 3.41Å; H121-F267 WeakPolarHBondContact CE1-CD2 3.38Å; H121-F267 AromaticContact CE1-CE2 3.17Å; H121-F267 WeakPolarHBondContact CE1-CE2 3.14Å; H121-F267 AromaticContact CE1-CZ 3.89Å; H121-F267 AromaticContact ND1-CD2 3.86Å; H121-F267 AromaticContact ND1-CE2 3.1Å; H121-F267 WeakPolarHBondContact ND1-CE2 3.41Å; H121-F267 AromaticContact ND1-CZ 3.53Å |
| 122 | F | 62 | Low | 81.1 | Confident | 107 Ų | 107 | 45.3 Ų | 45.3 | 47% | 0.469 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | -53.6 | 172.9 | -83 | -76.8 | 0 | 0 | 0 | 112.7 | M114 L119 L120 E254 | M114-F122 HydrophobicContact CE-CD2 3.79Å; M114-F122 HydrophobicContact CE-CE2 3.41Å; M114-F122 VanDerWaalsContact CE-CE2 3.41Å; M114-F122 HydrophobicContact CE-CZ 4.41Å; L119-F122 PolarHBondContact O-N 3.16Å; L120-F122 PolarHBondContact O-N 2.85Å; F122-E254 HydrophobicContact CE1-CG 4.01Å; F122-E254 WeakPolarHBondContact CE1-OE1 3.22Å; F122-E254 HydrophobicContact CE2-CB 4.03Å; F122-E254 HydrophobicContact CE2-CG 4.43Å; F122-E254 HydrophobicContact CZ-CB 3.51Å; F122-E254 HydrophobicContact CZ-CG 3.44Å; F122-E254 VanDerWaalsContact CZ-CG 3.44Å |
| 123 | R | 64.2 | Low | 80.6 | Confident | 210 Ų | 210 | 45.6 Ų | 45.6 | 79% | 0.792 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -116.6 | -38.4 | -176.2 | -166.5 | -179.1 | -175.5 | -173.7 | -0.3 | 111.4 | L119 | L119-R123 PolarHBondContact O-N 2.73Å; L119-R123 VanDerWaalsContact O-N 3.09Å |
| 124 | D | 74.8 | Confident | 80.5 | Confident | 71 Ų | 71 | 46 Ų | 46 | 38% | 0.38 | 23% | 0.227 | S | C | . | . | B | Isolated β-bridge | trans | -104.6 | 132.9 | -176 | -55.2 | -30.1 | 0 | 0 | 0 | 109.9 | L119 H121 | L119-D124 PolarHBondContact O-N 3.2Å; H121-D124 PolarHBondContact N-O 2.71Å |
| 125 | S | 85.5 | Confident | 80.8 | Confident | 32 Ų | 32 | 47.4 Ų | 47.4 | 22% | 0.224 | 23% | 0.233 | C | C | . | . | trans | -93.6 | 153.4 | 172.8 | 48.1 | 0 | 0 | 0 | 0 | 111.2 | E244 L245 | S125-E244 PolarHBondContact OG-OE1 3.24Å; S125-L245 WeakPolarHBondContact CA-O 3.05Å; S125-L245 WeakPolarHBondContact CB-O 3.33Å | ||
| 126 | V | 91 | Very high | 81.2 | Confident | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.006 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 118.3 | 173.6 | -177.9 | 0 | 0 | 0 | 0 | 108.5 | N60 W109 L120 L245 F267 | N60-V126 HydrophobicContact CB-CG1 4.1Å; N60-V126 HydrophobicContact CB-CG2 4.14Å; W109-V126 HydrophobicContact CH2-CG1 3.68Å; W109-V126 HydrophobicContact CZ2-CG1 3.73Å; L120-V126 HydrophobicContact CD1-CG2 4Å; L120-V126 HydrophobicContact CD2-CG2 3.87Å; L120-V126 HydrophobicContact CG-CG2 3.9Å; V126-L245 HydrophobicContact CB-CB 4.24Å; V126-L245 HydrophobicContact CB-CD1 4.37Å; V126-L245 HydrophobicContact CG1-CD1 4.45Å; V126-L245 PolarHBondContact N-O 3.24Å; V126-L245 WeakPolarHBondContact O-CB 3.46Å; V126-L245 PolarHBondContact O-N 3.4Å; V126-F267 HydrophobicContact CB-CD2 4.22Å; V126-F267 HydrophobicContact CB-CE2 4.5Å; V126-F267 HydrophobicContact CG2-CD2 4.05Å; V126-F267 HydrophobicContact CG2-CE2 4.31Å |
| 127 | N | 94.2 | Very high | 81.6 | Confident | 43 Ų | 43 | 44.9 Ų | 44.9 | 23% | 0.23 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 121.7 | -174.9 | -75.4 | -10.6 | 0 | 0 | 0 | 109.5 | A58 T59 L242 E244 | A58-N127 WeakPolarHBondContact CA-O 3.46Å; T59-N127 HydrophobicContact CG2-CB 3.75Å; T59-N127 PolarHBondContact N-O 3.35Å; T59-N127 PolarHBondContact OG1-N 2.96Å; N127-L242 HydrophobicContact CB-CD1 3.63Å; N127-E244 WeakPolarHBondContact OD1-CG 3.18Å |
| 128 | L | 94.6 | Very high | 82.3 | Confident | 3 Ų | 3 | 43.3 Ų | 43.3 | 2% | 0.016 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 115.4 | 172.8 | -55.5 | 175.7 | 0 | 0 | 0 | 108.4 | T57 A58 M100 W109 L242 I243 L245 I269 | T57-L128 CarbonylContact O-C 3.54Å; T57-L128 WeakPolarHBondContact O-CA 3.27Å; A58-L128 HydrophobicContact CB-CD2 3.42Å; A58-L128 VanDerWaalsContact CB-CD2 3.42Å; M100-L128 HydrophobicContact CE-CD1 4.12Å; M100-L128 HydrophobicContact CE-CD2 4.02Å; M100-L128 HydrophobicContact SD-CD1 3.94Å; W109-L128 HydrophobicContact CD2-CD2 4.17Å; W109-L128 HydrophobicContact CE3-CD1 4.13Å; W109-L128 HydrophobicContact CE3-CD2 4.29Å; W109-L128 HydrophobicContact CH2-CD1 4.15Å; W109-L128 HydrophobicContact CH2-CD2 3.76Å; W109-L128 HydrophobicContact CH2-CG 4.29Å; W109-L128 HydrophobicContact CZ2-CD2 3.61Å; W109-L128 HydrophobicContact CZ3-CD1 3.8Å; W109-L128 HydrophobicContact CZ3-CD2 4.1Å; W109-L128 HydrophobicContact CZ3-CG 4.42Å; L128-L242 CarbonylContact O-C 3.5Å; L128-L242 WeakPolarHBondContact O-CA 3.41Å; L128-I243 HydrophobicContact CB-CB 4.24Å; L128-I243 PolarHBondContact N-O 2.91Å; L128-I243 PolarHBondContact O-N 3.07Å; L128-L245 HydrophobicContact CD1-CD1 4.14Å; L128-I269 HydrophobicContact CD1-CD1 3.4Å |
| 129 | T | 94.2 | Very high | 83.2 | Confident | 34 Ų | 34 | 36.5 Ų | 36.5 | 21% | 0.209 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 133.2 | -177.5 | -32.1 | 0 | 0 | 0 | 0 | 109.1 | T57 W165 I241 | T57-T129 PolarHBondContact N-O 2.04Å; T57-T129 PolarHBondContact O-N 3.47Å; T57-T129 WeakPolarHBondContact OG1-CB 3.45Å; T57-T129 PolarHBondContact OG1-O 3.43Å; T129-W165 HydrophobicContact CG2-CH2 3.72Å; T129-W165 HydrophobicContact CG2-CZ2 3.74Å; T129-I241 WeakPolarHBondContact CA-O 3.47Å |
| 130 | I | 91.3 | Very high | 84.5 | Confident | 3 Ų | 3 | 34.6 Ų | 34.6 | 2% | 0.015 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 125.1 | 173.1 | -169.7 | 171.9 | 0 | 0 | 0 | 109.3 | A51 R54 V56 T101 L132 Q240 I241 L272 | A51-I130 HydrophobicContact CB-CD1 3.49Å; A51-I130 VanDerWaalsContact CB-CD1 3.49Å; R54-I130 HydrophobicContact CB-CD1 4.07Å; R54-I130 HydrophobicContact CB-CG1 4.13Å; V56-I130 HydrophobicContact CG2-CD1 4.01Å; V56-I130 HydrophobicContact CG2-CG1 4.27Å; T101-I130 HydrophobicContact CG2-CD1 4.46Å; I130-L132 HydrophobicContact CD1-CD2 4.35Å; I130-L132 HydrophobicContact CG1-CD2 4.23Å; I130-L132 HydrophobicContact CG2-CD2 4.09Å; I130-Q240 WeakPolarHBondContact O-CA 3.16Å; I130-I241 HydrophobicContact CG2-CB 3.71Å; I130-I241 PolarHBondContact N-O 3.36Å; I130-I241 PolarHBondContact O-N 2.93Å; I130-L272 HydrophobicContact CD1-CD2 4.43Å |
| 131 | D | 89.3 | Confident | 85.8 | Confident | 59 Ų | 59 | 34.4 Ų | 34.4 | 32% | 0.316 | 16% | 0.164 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 112.4 | 172.6 | -169.5 | -18.6 | 0 | 0 | 0 | 108.1 | G133 Q240 | D131-G133 PolarHBondContact O-N 2.93Å; D131-G133 WeakPolarHBondContact OD1-CA 3.16Å; D131-G133 PolarHBondContact OD1-N 3.14Å; D131-Q240 PolarHBondContact OD2-NE2 3.12Å |
| 132 | L | 88 | Confident | 87.4 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76 | -9.9 | -178.6 | -50.1 | 178 | 0 | 0 | 0 | 111 | V50 R54 I130 T134 F136 V138 A238 S239 I241 | V50-L132 HydrophobicContact CB-CD2 4.38Å; V50-L132 HydrophobicContact CG1-CB 3.81Å; V50-L132 HydrophobicContact CG1-CD1 4.07Å; V50-L132 HydrophobicContact CG1-CD2 3.74Å; V50-L132 HydrophobicContact CG1-CG 4.06Å; R54-L132 PolarHBondContact NE-O 2.72Å; R54-L132 PolarHBondContact NH2-O 3.43Å; I130-L132 HydrophobicContact CD1-CD2 4.35Å; I130-L132 HydrophobicContact CG1-CD2 4.23Å; I130-L132 HydrophobicContact CG2-CD2 4.09Å; L132-T134 PolarHBondContact O-N 3.29Å; L132-F136 HydrophobicContact CB-CD2 3.91Å; L132-F136 HydrophobicContact CB-CE2 4.22Å; L132-F136 HydrophobicContact CD1-CB 4.41Å; L132-F136 HydrophobicContact CD1-CD2 4.44Å; L132-V138 HydrophobicContact CD1-CG2 4.45Å; L132-A238 HydrophobicContact CD1-CB 4.37Å; L132-A238 WeakPolarHBondContact CD1-O 3.08Å; L132-S239 WeakPolarHBondContact CB-O 3.2Å; L132-S239 WeakPolarHBondContact CG-O 3.49Å; L132-S239 PolarHBondContact N-O 3.37Å; L132-I241 HydrophobicContact CD1-CD1 4.18Å; L132-I241 HydrophobicContact CD1-CG1 4.31Å; L132-I241 HydrophobicContact CD2-CD1 4.47Å |
| 133 | G | 82.5 | Confident | 88.9 | Confident | 12 Ų | 12 | 30.5 Ų | 30.5 | 12% | 0.124 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 73.6 | -4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | D131 R298 L299 | D131-G133 PolarHBondContact O-N 2.93Å; D131-G133 WeakPolarHBondContact OD1-CA 3.16Å; D131-G133 PolarHBondContact OD1-N 3.14Å; G133-R298 WeakPolarHBondContact O-CB 3.33Å; G133-L299 PolarHBondContact O-N 2.8Å |
| 134 | T | 86.7 | Confident | 90.3 | Very high | 13 Ų | 13 | 22 Ų | 22 | 8% | 0.08 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -166.4 | -177.8 | 164.3 | -168.2 | 0 | 0 | 0 | 0 | 108.9 | L132 F136 S239 L299 N313 | L132-T134 PolarHBondContact O-N 3.29Å; T134-F136 HydrophobicContact CG2-CD2 4.02Å; T134-F136 HydrophobicContact CG2-CE2 3.5Å; T134-F136 VanDerWaalsContact CG2-CE2 3.5Å; T134-F136 HydrophobicContact CG2-CZ 4.19Å; T134-F136 WeakPolarHBondContact O-CD2 3.33Å; T134-S239 WeakPolarHBondContact O-CA 3.39Å; T134-L299 VanDerWaalsContact CB-O 3.25Å; T134-L299 WeakPolarHBondContact CB-O 3.36Å; T134-L299 HydrophobicContact CG2-CB 3.68Å; T134-N313 PolarHBondContact OG1-OD1 2.74Å |
| 135 | Q | 90.2 | Very high | 91.2 | Very high | 32 Ų | 32 | 18.6 Ų | 18.6 | 15% | 0.15 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 132.4 | 175.1 | -62.6 | -176.4 | -56.9 | 0 | 0 | 111.2 | F159 T237 L279 N313 | Q135-F159 PolarHBondContact NE2-O 3.46Å; Q135-T237 HydrophobicContact CB-CG2 3.91Å; Q135-T237 HydrophobicContact CG-CG2 4.3Å; Q135-L279 HydrophobicContact CB-CB 4.02Å; Q135-L279 HydrophobicContact CB-CD2 3.69Å; Q135-L279 HydrophobicContact CB-CG 4.45Å; Q135-L279 VanDerWaalsContact O-CB 3.22Å; Q135-L279 WeakPolarHBondContact O-CB 3.49Å; Q135-L279 PolarHBondContact O-N 2.95Å; Q135-N313 PolarHBondContact OE1-ND2 3.32Å |
| 136 | F | 91.9 | Very high | 91.4 | Very high | 7 Ų | 7 | 18.9 Ų | 18.9 | 3% | 0.031 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 141 | 174.6 | -79.6 | -101.1 | 0 | 0 | 0 | 110.5 | V50 L132 T134 V138 T237 A238 R277 C278 L299 | V50-F136 HydrophobicContact CB-CD1 4.08Å; V50-F136 HydrophobicContact CB-CE1 4.26Å; V50-F136 HydrophobicContact CB-CG 4.32Å; V50-F136 HydrophobicContact CG1-CB 4.22Å; V50-F136 HydrophobicContact CG1-CD1 3.52Å; V50-F136 HydrophobicContact CG1-CD2 3.4Å; V50-F136 VanDerWaalsContact CG1-CD2 3.4Å; V50-F136 HydrophobicContact CG1-CE1 3.63Å; V50-F136 HydrophobicContact CG1-CE2 3.49Å; V50-F136 VanDerWaalsContact CG1-CE2 3.49Å; V50-F136 HydrophobicContact CG1-CG 3.43Å; V50-F136 VanDerWaalsContact CG1-CG 3.43Å; V50-F136 HydrophobicContact CG1-CZ 3.63Å; V50-F136 HydrophobicContact CG2-CB 4.25Å; V50-F136 HydrophobicContact CG2-CD1 3.34Å; V50-F136 HydrophobicContact CG2-CE1 3.79Å; V50-F136 HydrophobicContact CG2-CG 3.85Å; L132-F136 HydrophobicContact CB-CD2 3.91Å; L132-F136 HydrophobicContact CB-CE2 4.22Å; L132-F136 HydrophobicContact CD1-CB 4.41Å; L132-F136 HydrophobicContact CD1-CD2 4.44Å; T134-F136 HydrophobicContact CG2-CD2 4.02Å; T134-F136 HydrophobicContact CG2-CE2 3.5Å; T134-F136 VanDerWaalsContact CG2-CE2 3.5Å; T134-F136 HydrophobicContact CG2-CZ 4.19Å; T134-F136 WeakPolarHBondContact O-CD2 3.33Å; F136-V138 HydrophobicContact CB-CG2 4.26Å; F136-V138 PolarHBondContact O-N 3.27Å; F136-T237 CarbonylContact O-C 3.46Å; F136-T237 VanDerWaalsContact O-CA 3.26Å; F136-T237 WeakPolarHBondContact O-CA 3.36Å; F136-A238 PolarHBondContact N-O 3.14Å; F136-A238 PolarHBondContact O-N 3.36Å; F136-R277 CarbonylContact C-O 3.43Å; F136-R277 VanDerWaalsContact CA-O 3.31Å; F136-R277 WeakPolarHBondContact CA-O 3.48Å; F136-R277 VanDerWaalsContact CD1-O 3.32Å; F136-R277 WeakPolarHBondContact CD1-O 3.25Å; F136-C278 VanDerWaalsContact CD1-CA 3.47Å; F136-C278 HydrophobicContact CD1-CB 4.14Å; F136-C278 VanDerWaalsContact CD1-N 3.34Å; F136-C278 HydrophobicContact CE1-CB 3.63Å; F136-C278 HydrophobicContact CZ-CB 3.99Å; F136-L299 HydrophobicContact CE2-CD1 4.16Å; F136-L299 HydrophobicContact CZ-CD1 3.75Å |
| 137 | H | 91.2 | Very high | 91.3 | Very high | 14 Ų | 14 | 18.9 Ų | 18.9 | 7% | 0.065 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 102 | 158.9 | -70.9 | -47.4 | 0 | 0 | 0 | 108.5 | F226 S236 T237 G276 R277 L279 | H137-F226 HydrophobicContact CB-CZ 4.26Å; H137-F226 AromaticContact CD2-CE1 3.98Å; H137-F226 AromaticContact CD2-CZ 4Å; H137-F226 AromaticContact CE1-CZ 3.9Å; H137-F226 AromaticContact CG-CZ 3.81Å; H137-F226 AromaticContact ND1-CZ 3.76Å; H137-S236 PolarHBondContact ND1-OG 2.85Å; H137-T237 PolarHBondContact CE1-OG1 3.2Å; H137-T237 PolarHBondContact ND1-OG1 2.94Å; H137-T237 VanDerWaalsContact ND1-OG1 3.17Å; H137-G276 CarbonylContact O-C 3.56Å; H137-G276 WeakPolarHBondContact O-CA 3.23Å; H137-R277 PolarHBondContact N-O 3.14Å; H137-R277 PolarHBondContact O-N 2.99Å; H137-L279 WeakPolarHBondContact NE2-CD1 3.41Å |
| 138 | V | 92.5 | Very high | 90.9 | Very high | 1 Ų | 1 | 18 Ų | 18 | 1% | 0.006 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 128.5 | 179.1 | -178.5 | 0 | 0 | 0 | 0 | 108.9 | L132 F136 V141 W168 V216 S236 A238 I241 V274 | L132-V138 HydrophobicContact CD1-CG2 4.45Å; F136-V138 HydrophobicContact CB-CG2 4.26Å; F136-V138 PolarHBondContact O-N 3.27Å; V138-V141 HydrophobicContact CG1-CG2 4.16Å; V138-W168 HydrophobicContact CB-CH2 3.56Å; V138-W168 HydrophobicContact CB-CZ2 4.3Å; V138-W168 HydrophobicContact CB-CZ3 4.41Å; V138-W168 HydrophobicContact CG1-CH2 3.86Å; V138-W168 HydrophobicContact CG1-CZ3 4.31Å; V138-W168 HydrophobicContact CG2-CH2 3.88Å; V138-V216 HydrophobicContact CG1-CG2 4.08Å; V138-V216 WeakPolarHBondContact O-CB 2.92Å; V138-V216 WeakPolarHBondContact O-CG1 3.48Å; V138-S236 PolarHBondContact N-O 3.31Å; V138-A238 HydrophobicContact CG2-CB 4.15Å; V138-I241 HydrophobicContact CG2-CD1 4.49Å; V138-V274 HydrophobicContact CB-CG1 4.48Å; V138-V274 HydrophobicContact CG1-CG1 3.65Å; V138-V274 HydrophobicContact CG2-CG1 4.01Å |
| 139 | N | 90.1 | Very high | 90.8 | Very high | 12 Ų | 12 | 18.7 Ų | 18.7 | 6% | 0.064 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | -40.7 | 177.6 | -166.1 | -2.8 | 0 | 0 | 0 | 110.9 | F47 V216 I217 G275 | F47-N139 HydrophobicContact CE2-CB 3.86Å; F47-N139 HydrophobicContact CZ-CB 4.31Å; N139-V216 WeakPolarHBondContact O-CB 3.47Å; N139-V216 PolarHBondContact O-N 3.22Å; N139-I217 HydrophobicContact CB-CD1 4.43Å; N139-I217 VanDerWaalsContact OD1-CD1 3.27Å; N139-I217 WeakPolarHBondContact OD1-CD1 3.05Å; N139-I217 WeakPolarHBondContact OD1-CG1 3.47Å; N139-G275 PolarHBondContact N-O 3.35Å |
| 140 | Y | 93.7 | Very high | 90.7 | Very high | 55 Ų | 55 | 17.1 Ų | 17.1 | 22% | 0.216 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 156.8 | 176.3 | 67.2 | -95.4 | 0 | 0 | 0 | 113.5 | F47 F214 T273 G275 | F47-Y140 HydrophobicContact CE1-CE1 4.05Å; F47-Y140 HydrophobicContact CZ-CD1 4.25Å; F47-Y140 AromaticContact CZ-CE1 3.63Å; F47-Y140 HydrophobicContact CZ-CE1 3.63Å; Y140-F214 CarbonylContact C-O 2.99Å; Y140-F214 WeakPolarHBondContact CA-O 3.32Å; Y140-F214 WeakPolarHBondContact CB-O 2.95Å; Y140-T273 HydrophobicContact CE2-CG2 4.24Å; Y140-G275 PolarHBondContact N-O 2.82Å; Y140-G275 PolarHBondContact O-N 3.29Å |
| 141 | V | 93.6 | Very high | 90.6 | Very high | 1 Ų | 1 | 18.4 Ų | 18.4 | 1% | 0.006 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 124 | 166.4 | -177.7 | 0 | 0 | 0 | 0 | 108.3 | V138 I155 W168 F214 I241 L272 V274 | V138-V141 HydrophobicContact CG1-CG2 4.16Å; V141-I155 HydrophobicContact CB-CD1 4.48Å; V141-I155 HydrophobicContact CG1-CD1 4.25Å; V141-W168 HydrophobicContact CG2-CZ3 4.31Å; V141-F214 HydrophobicContact CB-CB 4.24Å; V141-F214 HydrophobicContact CB-CD1 4.21Å; V141-F214 HydrophobicContact CG2-CD1 4.16Å; V141-F214 PolarHBondContact N-O 2.84Å; V141-F214 PolarHBondContact O-N 2.62Å; V141-I241 HydrophobicContact CG2-CD1 4.13Å; V141-L272 HydrophobicContact CG1-CD1 4.29Å; V141-V274 HydrophobicContact CG1-CG2 4.37Å; V141-V274 HydrophobicContact CG2-CG2 4.45Å |
| 142 | Y | 94.6 | Very high | 90.7 | Very high | 36 Ų | 36 | 15.6 Ų | 15.6 | 14% | 0.141 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 131.5 | -178.4 | 172.3 | -85.3 | 0 | 0 | 0 | 110.1 | Q144 E211 V212 I213 K271 L272 T273 | Y142-Q144 HydrophobicContact CE1-CB 3.99Å; Y142-E211 HydrophobicContact CE2-CB 4.28Å; Y142-E211 HydrophobicContact CE2-CG 4.25Å; Y142-E211 PolarHBondContact OH-OE1 3.36Å; Y142-V212 WeakPolarHBondContact CA-O 3.41Å; Y142-I213 HydrophobicContact CD2-CD1 4.35Å; Y142-I213 HydrophobicContact CD2-CG1 3.92Å; Y142-I213 HydrophobicContact CE2-CD1 4.46Å; Y142-I213 HydrophobicContact CE2-CG1 4.28Å; Y142-K271 HydrophobicContact CE1-CB 4.48Å; Y142-K271 HydrophobicContact CE1-CD 4.12Å; Y142-K271 HydrophobicContact CE1-CG 4.38Å; Y142-L272 WeakPolarHBondContact O-CA 3.41Å; Y142-T273 PolarHBondContact N-O 2.89Å; Y142-T273 PolarHBondContact O-N 3.27Å |
| 143 | L | 94.1 | Very high | 91 | Very high | 1 Ų | 1 | 15.6 Ų | 15.6 | 1% | 0.005 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 139.2 | 174.9 | -59.5 | 166.7 | 0 | 0 | 0 | 110.1 | F145 E211 V212 I243 I269 K271 L272 | L143-F145 HydrophobicContact CB-CD2 4.33Å; L143-F145 HydrophobicContact CB-CE2 3.83Å; L143-F145 HydrophobicContact CD1-CE2 4.1Å; L143-F145 HydrophobicContact CD1-CZ 4.3Å; L143-E211 CarbonylContact O-C 3.44Å; L143-E211 WeakPolarHBondContact O-CA 2.94Å; L143-V212 HydrophobicContact CB-CB 4.16Å; L143-V212 PolarHBondContact N-O 3.44Å; L143-V212 PolarHBondContact O-N 2.87Å; L143-I243 HydrophobicContact CD1-CD1 4.16Å; L143-I243 HydrophobicContact CD1-CG2 4.34Å; L143-I243 HydrophobicContact CD2-CD1 3.8Å; L143-I243 HydrophobicContact CG-CD1 4.49Å; L143-I269 HydrophobicContact CD2-CD1 4.43Å; L143-I269 HydrophobicContact CD2-CG2 4.34Å; L143-K271 CarbonylContact C-O 3.58Å; L143-K271 WeakPolarHBondContact CA-O 3.03Å; L143-L272 HydrophobicContact CD2-CB 4.12Å; L143-L272 HydrophobicContact CD2-CD1 3.45Å; L143-L272 VanDerWaalsContact CD2-CD1 3.45Å; L143-L272 HydrophobicContact CD2-CG 4.31Å |
| 144 | Q | 93.3 | Very high | 91.6 | Very high | 32 Ų | 32 | 15.1 Ų | 15.1 | 15% | 0.15 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 119.3 | 169.3 | -167.8 | 177.1 | 25.5 | 0 | 0 | 109.1 | Y142 E211 Q270 K271 | Y142-Q144 HydrophobicContact CE1-CB 3.99Å; Q144-E211 HydrophobicContact CG-CG 4.4Å; Q144-Q270 PolarHBondContact O-N 2.61Å; Q144-K271 HydrophobicContact CB-CB 3.89Å; Q144-K271 PolarHBondContact N-O 3.37Å; Q144-K271 PolarHBondContact O-N 3.22Å |
| 145 | F | 93 | Very high | 92.1 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 136.1 | -177.1 | -73.8 | -99.6 | 0 | 0 | 0 | 111.7 | L143 S147 R149 P150 M153 E209 G210 V212 L245 A268 I269 | L143-F145 HydrophobicContact CB-CD2 4.33Å; L143-F145 HydrophobicContact CB-CE2 3.83Å; L143-F145 HydrophobicContact CD1-CE2 4.1Å; L143-F145 HydrophobicContact CD1-CZ 4.3Å; F145-S147 WeakPolarHBondContact CB-O 3.22Å; F145-R149 HydrophobicContact CB-CG 4.32Å; F145-R149 HydrophobicContact CD2-CG 3.95Å; F145-R149 HydrophobicContact CG-CG 4.24Å; F145-P150 HydrophobicContact CE1-CG 3.79Å; F145-P150 HydrophobicContact CZ-CG 3.83Å; F145-M153 HydrophobicContact CZ-SD 4.2Å; F145-E209 WeakPolarHBondContact O-CA 3.41Å; F145-E209 PolarHBondContact O-N 3.49Å; F145-G210 PolarHBondContact N-O 2.78Å; F145-G210 PolarHBondContact O-N 3.41Å; F145-V212 HydrophobicContact CD2-CG2 4.11Å; F145-V212 HydrophobicContact CE2-CG2 3.75Å; F145-L245 HydrophobicContact CE1-CD2 4.29Å; F145-L245 HydrophobicContact CZ-CD2 4.18Å; F145-A268 CarbonylContact C-O 3.53Å; F145-A268 WeakPolarHBondContact CA-O 3.34Å; F145-I269 HydrophobicContact CD1-CG1 3.73Å; F145-I269 HydrophobicContact CE1-CD1 3.84Å; F145-I269 HydrophobicContact CE1-CG1 3.54Å; F145-I269 HydrophobicContact CG-CG1 4.39Å; F145-I269 HydrophobicContact CZ-CD1 4Å; F145-I269 HydrophobicContact CZ-CG1 4.07Å |
| 146 | K | 89.6 | Confident | 92.5 | Very high | 37 Ų | 37 | 14.1 Ų | 14.1 | 16% | 0.161 | 6% | 0.064 | C | C | . | . | S | Bend | trans | -93.6 | -8.8 | 168.4 | -157 | -109 | -175.9 | 166.9 | 0 | 112.1 | W108 Y208 A268 Q270 | W108-K146 HydrophobicContact CB-CB 4.35Å; W108-K146 HydrophobicContact CD2-CD 3.83Å; W108-K146 HydrophobicContact CD2-CG 4.39Å; W108-K146 HydrophobicContact CE3-CD 4.28Å; W108-K146 HydrophobicContact CG-CB 4.34Å; W108-K146 HydrophobicContact CG-CD 4.05Å; W108-K146 HydrophobicContact CG-CG 4.36Å; W108-K146 VanDerWaalsContact CH2-NZ 3.26Å; W108-K146 HydrophobicContact CZ2-CD 4.38Å; K146-Y208 WeakPolarHBondContact O-CD1 3.48Å; K146-Y208 WeakPolarHBondContact O-CE1 3.47Å; K146-A268 HydrophobicContact CB-CB 3.95Å; K146-A268 PolarHBondContact N-O 2.94Å; K146-Q270 HydrophobicContact CB-CB 4.26Å |
| 147 | S | 88.4 | Confident | 92.6 | Very high | 1 Ų | 1 | 14.2 Ų | 14.2 | 1% | 0.007 | 7% | 0.065 | C | C | . | . | S | Bend | trans | -102.4 | 176.5 | 162.8 | 65.6 | 0 | 0 | 0 | 0 | 109.6 | F145 L207 Y266 A268 | F145-S147 WeakPolarHBondContact CB-O 3.22Å; S147-L207 CarbonylContact C-O 3.57Å; S147-Y266 VanDerWaalsContact CB-O 3.31Å; S147-Y266 WeakPolarHBondContact CB-O 3.34Å; S147-A268 PolarHBondContact N-O 2.81Å; S147-A268 PolarHBondContact OG-N 2.9Å; S147-A268 PolarHBondContact OG-O 3.32Å |
| 148 | P | 87 | Confident | 92.8 | Very high | 26 Ų | 26 | 15.5 Ų | 15.5 | 17% | 0.169 | 7% | 0.069 | C | C | . | . | P | Polyproline II helix | trans | -57 | 148.6 | 162.7 | -23.4 | 34.2 | 0 | 0 | 0 | 110.6 | L204 L207 | P148-L204 HydrophobicContact CB-CD1 3.99Å; P148-L204 HydrophobicContact CG-CD1 4.47Å; P148-L207 WeakPolarHBondContact CA-O 3.37Å; P148-L207 HydrophobicContact CB-CD2 4.43Å; P148-L207 VanDerWaalsContact CD-O 3.32Å; P148-L207 WeakPolarHBondContact CD-O 3.48Å; P148-L207 HydrophobicContact CG-CD2 3.87Å; P148-L207 WeakPolarHBondContact CG-O 3.48Å |
| 149 | R | 91.8 | Very high | 92.7 | Very high | 17 Ų | 17 | 18.2 Ų | 18.2 | 6% | 0.064 | 8% | 0.081 | C | C | . | . | P | Polyproline II helix | trans | -65.1 | 146.9 | 176.4 | -63.8 | 176.8 | -62.2 | 173.7 | 9 | 110.1 | F145 E200 Y201 T203 Q205 E211 V212 H249 | F145-R149 HydrophobicContact CB-CG 4.32Å; F145-R149 HydrophobicContact CD2-CG 3.95Å; F145-R149 HydrophobicContact CG-CG 4.24Å; R149-E200 PolarHBondContact NH1-O 2.82Å; R149-E200 PolarHBondContact NH2-O 3.13Å; R149-Y201 WeakPolarHBondContact CD-O 3.31Å; R149-Y201 PolarHBondContact NE-O 2.98Å; R149-T203 PolarHBondContact NH2-O 3.25Å; R149-T203 PolarHBondContact NH2-OG1 2.02Å; R149-Q205 PolarHBondContact NH2-O 3.25Å; R149-E211 WeakPolarHBondContact CD-O 2.95Å; R149-E211 PolarHBondContact NH1-O 3.32Å; R149-V212 HydrophobicContact CG-CG2 4.32Å; R149-H249 PolarHBondContact O-CD2 3.19Å |
| 150 | P | 91.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 9% | 0.091 | C | C | . | . | P | Polyproline II helix | trans | -59.6 | 143.2 | -179 | -21.1 | 30.8 | 0 | 0 | 0 | 112.5 | F145 A152 M153 S202 L245 K247 F267 | F145-P150 HydrophobicContact CE1-CG 3.79Å; F145-P150 HydrophobicContact CZ-CG 3.83Å; P150-A152 PolarHBondContact O-N 2.96Å; P150-M153 HydrophobicContact CB-CB 4.15Å; P150-M153 HydrophobicContact CB-CG 4.44Å; P150-M153 HydrophobicContact CG-CB 4.28Å; P150-M153 HydrophobicContact CG-CG 4.42Å; P150-M153 HydrophobicContact CG-SD 3.98Å; P150-S202 VanDerWaalsContact O-CB 3.27Å; P150-S202 WeakPolarHBondContact O-CB 3.11Å; P150-S202 PolarHBondContact O-OG 3.39Å; P150-L245 HydrophobicContact CG-CD2 3.77Å; P150-K247 CarbonylContact C-O 3.58Å; P150-F267 HydrophobicContact CB-CE1 3.77Å; P150-F267 HydrophobicContact CB-CZ 4.28Å; P150-F267 HydrophobicContact CG-CD1 4.17Å; P150-F267 HydrophobicContact CG-CE1 3.68Å; P150-F267 HydrophobicContact CG-CZ 4.45Å |
| 151 | H | 89.2 | Confident | 91.9 | Very high | 31 Ų | 31 | 21.6 Ų | 21.6 | 14% | 0.144 | 10% | 0.103 | C | C | . | . | S | Bend | trans | -64.2 | -33.4 | 168.5 | 172.5 | 85.7 | 0 | 0 | 0 | 111.6 | S172 S173 K247 M248 H249 | H151-S172 CarbonylContact O-C 3.47Å; H151-S172 WeakPolarHBondContact O-CA 3.39Å; H151-S172 WeakPolarHBondContact O-CB 3.33Å; H151-S172 PolarHBondContact O-OG 2.61Å; H151-S173 PolarHBondContact CE1-OG 3.46Å; H151-S173 PolarHBondContact ND1-OG 3.35Å; H151-S173 PolarHBondContact O-N 2.99Å; H151-K247 HydrophobicContact CB-CG 4.33Å; H151-K247 PolarHBondContact N-O 2.69Å; H151-M248 WeakPolarHBondContact CB-O 2.89Å; H151-H249 AromaticContact ND1-CE1 3.63Å; H151-H249 AromaticContact ND1-ND1 3.65Å |
| 152 | A | 92.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 132.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | P150 F171 Y178 F179 K246 K247 | P150-A152 PolarHBondContact O-N 2.96Å; A152-F171 CarbonylContact C-O 3.53Å; A152-F171 VanDerWaalsContact CA-O 3.27Å; A152-F171 WeakPolarHBondContact CA-O 3.44Å; A152-Y178 HydrophobicContact CB-CD1 3.5Å; A152-Y178 VanDerWaalsContact CB-CD1 3.5Å; A152-Y178 HydrophobicContact CB-CD2 4.09Å; A152-Y178 HydrophobicContact CB-CE1 3.36Å; A152-Y178 HydrophobicContact CB-CE2 3.99Å; A152-Y178 HydrophobicContact CB-CG 3.86Å; A152-F179 HydrophobicContact CB-CE2 4.24Å; A152-F179 HydrophobicContact CB-CZ 4.23Å; A152-K246 HydrophobicContact CB-CB 4.32Å; A152-K246 WeakPolarHBondContact O-CB 3.46Å; A152-K246 PolarHBondContact O-N 3.05Å; A152-K247 HydrophobicContact CB-CB 4.13Å; A152-K247 PolarHBondContact N-O 3.43Å; A152-K247 VanDerWaalsContact N-O 3.11Å; A152-K247 PolarHBondContact O-N 3.16Å; A152-K247 VanDerWaalsContact O-N 3.09Å |
| 153 | M | 93.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 160.3 | 171.4 | 66.2 | 175.4 | -172.2 | 0 | 0 | 111.4 | F145 P150 F171 V212 E244 L245 | F145-M153 HydrophobicContact CZ-SD 4.2Å; P150-M153 HydrophobicContact CB-CB 4.15Å; P150-M153 HydrophobicContact CB-CG 4.44Å; P150-M153 HydrophobicContact CG-CB 4.28Å; P150-M153 HydrophobicContact CG-CG 4.42Å; P150-M153 HydrophobicContact CG-SD 3.98Å; M153-F171 HydrophobicContact CE-CB 3.64Å; M153-F171 HydrophobicContact CE-CD1 3.69Å; M153-F171 HydrophobicContact CE-CD2 3.6Å; M153-F171 HydrophobicContact CE-CE1 4.28Å; M153-F171 HydrophobicContact CE-CE2 4.22Å; M153-F171 HydrophobicContact CE-CG 3.34Å; M153-F171 HydrophobicContact CG-CB 3.58Å; M153-F171 HydrophobicContact CG-CD2 3.98Å; M153-F171 HydrophobicContact CG-CG 4.02Å; M153-F171 PolarHBondContact N-O 3.45Å; M153-F171 PolarHBondContact O-N 2.86Å; M153-V212 HydrophobicContact CE-CB 4.08Å; M153-V212 HydrophobicContact CE-CG1 3.35Å; M153-V212 HydrophobicContact CE-CG2 3.83Å; M153-E244 CarbonylContact C-O 3.21Å; M153-E244 WeakPolarHBondContact CA-O 3.16Å; M153-E244 VanDerWaalsContact CB-O 3.3Å; M153-E244 WeakPolarHBondContact CB-O 3.23Å; M153-L245 HydrophobicContact CB-CD2 4.16Å; M153-L245 HydrophobicContact SD-CD2 4.21Å |
| 154 | V | 95.9 | Very high | 91.1 | Very high | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.006 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 129.8 | 178.5 | -170.4 | 0 | 0 | 0 | 0 | 109.2 | H156 P167 Y170 F179 E244 K246 | V154-H156 VanDerWaalsContact CB-CE1 3.48Å; V154-H156 WeakPolarHBondContact CB-CE1 3.18Å; V154-H156 WeakPolarHBondContact CG1-CE1 3.04Å; V154-P167 HydrophobicContact CG1-CB 4.32Å; V154-Y170 HydrophobicContact CB-CD1 4.39Å; V154-Y170 HydrophobicContact CG1-CD1 3.9Å; V154-Y170 HydrophobicContact CG1-CE1 3.85Å; V154-Y170 HydrophobicContact CG2-CD1 3.66Å; V154-Y170 HydrophobicContact CG2-CE1 3.95Å; V154-F179 HydrophobicContact CG2-CE1 3.66Å; V154-F179 HydrophobicContact CG2-CE2 4.48Å; V154-F179 HydrophobicContact CG2-CZ 3.47Å; V154-F179 VanDerWaalsContact CG2-CZ 3.47Å; V154-E244 HydrophobicContact CB-CB 4.46Å; V154-E244 PolarHBondContact N-O 2.9Å; V154-E244 PolarHBondContact O-N 3.35Å; V154-K246 HydrophobicContact CG2-CD 3.89Å |
| 155 | I | 97.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 120.8 | 169.3 | -58.6 | 179.1 | 0 | 0 | 0 | 106.8 | V141 W168 A169 F171 F214 I241 I243 | V141-I155 HydrophobicContact CB-CD1 4.48Å; V141-I155 HydrophobicContact CG1-CD1 4.25Å; I155-W168 HydrophobicContact CG2-CE3 4.25Å; I155-W168 WeakPolarHBondContact O-CA 3.48Å; I155-W168 VanDerWaalsContact O-CB 3.26Å; I155-W168 WeakPolarHBondContact O-CB 3.34Å; I155-W168 PolarHBondContact O-N 2.76Å; I155-A169 PolarHBondContact N-O 3.31Å; I155-A169 PolarHBondContact O-N 2.88Å; I155-F171 HydrophobicContact CB-CE2 4.35Å; I155-F171 HydrophobicContact CD1-CE2 3.59Å; I155-F171 HydrophobicContact CD1-CZ 3.93Å; I155-F171 HydrophobicContact CG1-CD2 4.37Å; I155-F171 HydrophobicContact CG1-CE2 3.72Å; I155-F214 HydrophobicContact CD1-CB 4.11Å; I155-F214 HydrophobicContact CD1-CD1 4.16Å; I155-F214 HydrophobicContact CD1-CG 4.4Å; I155-F214 HydrophobicContact CG2-CD1 4.47Å; I155-I241 HydrophobicContact CG2-CG2 3.9Å; I155-I243 HydrophobicContact CG1-CG1 4.38Å |
| 156 | H | 97 | Very high | 91.2 | Very high | 25 Ų | 25 | 42.2 Ų | 42.2 | 12% | 0.116 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 157.6 | 174.5 | -55.5 | 82.2 | 0 | 0 | 0 | 109.8 | V154 W165 T166 I241 L242 E244 | V154-H156 VanDerWaalsContact CB-CE1 3.48Å; V154-H156 WeakPolarHBondContact CB-CE1 3.18Å; V154-H156 WeakPolarHBondContact CG1-CE1 3.04Å; H156-W165 HydrophobicContact CB-CE3 3.82Å; H156-T166 CarbonylContact C-O 3.54Å; H156-T166 VanDerWaalsContact CA-O 3.28Å; H156-T166 WeakPolarHBondContact CA-O 3.48Å; H156-I241 WeakPolarHBondContact O-CA 3.41Å; H156-L242 HydrophobicContact CB-CB 4.14Å; H156-L242 HydrophobicContact CB-CD2 4.43Å; H156-L242 HydrophobicContact CB-CG 4.49Å; H156-L242 PolarHBondContact N-O 2.72Å; H156-L242 PolarHBondContact O-N 3.4Å; H156-E244 IonicContact CE1-OE2 3.61Å |
| 157 | K | 95.6 | Very high | 91.4 | Very high | 9 Ų | 9 | 42.2 Ų | 42.2 | 4% | 0.039 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 159.1 | 171.4 | 68.3 | 167.3 | -167.1 | 158.6 | 0 | 111.3 | T166 W168 R234 W235 T237 A238 Q240 | K157-T166 PolarHBondContact N-O 2.67Å; K157-T166 PolarHBondContact O-N 2.92Å; K157-T166 PolarHBondContact O-OG1 3.29Å; K157-W168 HydrophobicContact CB-CD2 4.03Å; K157-W168 HydrophobicContact CB-CE3 3.78Å; K157-W168 HydrophobicContact CB-CG 4.44Å; K157-W168 HydrophobicContact CB-CZ3 4.1Å; K157-W168 HydrophobicContact CD-CD2 3.76Å; K157-W168 HydrophobicContact CD-CE3 4.25Å; K157-W168 HydrophobicContact CD-CG 4.03Å; K157-W168 HydrophobicContact CD-CH2 4.27Å; K157-W168 HydrophobicContact CD-CZ2 3.87Å; K157-W168 HydrophobicContact CD-CZ3 4.5Å; K157-W168 HydrophobicContact CG-CB 4.35Å; K157-W168 HydrophobicContact CG-CD2 4.06Å; K157-W168 HydrophobicContact CG-CE3 4.34Å; K157-W168 HydrophobicContact CG-CG 4.11Å; K157-R234 PolarHBondContact NZ-O 3.26Å; K157-W235 VanDerWaalsContact NZ-C 3.34Å; K157-W235 PolarHBondContact NZ-O 3Å; K157-T237 PolarHBondContact NZ-O 3.12Å; K157-A238 HydrophobicContact CB-CB 4.05Å; K157-A238 HydrophobicContact CD-CB 4.41Å; K157-Q240 WeakPolarHBondContact CA-O 3.44Å |
| 158 | R | 94.6 | Very high | 91.7 | Very high | 40 Ų | 40 | 42.2 Ų | 42.2 | 15% | 0.151 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 136.6 | 158.9 | -63.3 | -179.4 | 79.4 | -161.9 | 3 | 108.2 | D161 N162 S163 W165 A238 S239 Q240 | R158-D161 VanDerWaalsContact CZ-C 3.49Å; R158-D161 PolarHBondContact NH1-O 3.36Å; R158-D161 PolarHBondContact NH2-O 3.43Å; R158-N162 VanDerWaalsContact NH2-C 3.26Å; R158-S163 WeakPolarHBondContact CB-OG 3.43Å; R158-S163 PolarHBondContact NE-O 2.95Å; R158-S163 PolarHBondContact NH2-O 3.25Å; R158-W165 VanDerWaalsContact CD-CE2 3.47Å; R158-W165 HydrophobicContact CG-CD2 3.51Å; R158-W165 HydrophobicContact CG-CE3 3.48Å; R158-W165 VanDerWaalsContact CG-CE3 3.48Å; R158-W165 HydrophobicContact CG-CG 4.1Å; R158-W165 HydrophobicContact CG-CH2 3.91Å; R158-W165 HydrophobicContact CG-CZ2 3.96Å; R158-W165 HydrophobicContact CG-CZ3 3.66Å; R158-A238 CarbonylContact O-C 3.21Å; R158-A238 VanDerWaalsContact O-CA 3.24Å; R158-A238 WeakPolarHBondContact O-CA 3.36Å; R158-S239 PolarHBondContact O-N 2.94Å; R158-Q240 HydrophobicContact CB-CB 4.24Å; R158-Q240 HydrophobicContact CG-CB 4.44Å; R158-Q240 PolarHBondContact N-O 3.15Å; R158-Q240 VanDerWaalsContact NH1-OE1 3.12Å |
| 159 | F | 89.9 | Confident | 92 | Very high | 59 Ų | 59 | 41 Ų | 41 | 26% | 0.259 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -69.8 | -43.6 | 176 | 174.7 | -99.6 | 0 | 0 | 0 | 111.2 | Q135 S163 R234 T237 | Q135-F159 PolarHBondContact NE2-O 3.46Å; F159-S163 PolarHBondContact N-OG 3.4Å; F159-R234 HydrophobicContact CD2-CG 4Å; F159-R234 HydrophobicContact CE2-CB 4.46Å; F159-R234 HydrophobicContact CE2-CG 3.78Å; F159-T237 HydrophobicContact CD2-CG2 3.83Å; F159-T237 HydrophobicContact CE2-CG2 3.66Å; F159-T237 HydrophobicContact CZ-CG2 4.47Å |
| 160 | D | 86.1 | Confident | 92.2 | Very high | 53 Ų | 53 | 42.4 Ų | 42.4 | 28% | 0.283 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -141.4 | 173.7 | 173.8 | 65 | 49.5 | 0 | 0 | 0 | 111 | N162 S163 S239 | D160-N162 PolarHBondContact O-N 3.11Å; D160-N162 WeakPolarHBondContact OD1-CA 3.33Å; D160-N162 PolarHBondContact OD1-N 2.79Å; D160-S163 PolarHBondContact N-OG 2.71Å; D160-S163 PolarHBondContact O-N 3.33Å; D160-S163 PolarHBondContact O-OG 2.89Å; D160-S163 WeakPolarHBondContact OD1-CB 3.49Å; D160-S163 PolarHBondContact OD1-N 3.3Å; D160-S239 WeakPolarHBondContact CA-OG 3.35Å |
| 161 | D | 81.5 | Confident | 92.4 | Very high | 85 Ų | 85 | 42.4 Ų | 42.4 | 46% | 0.455 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -7.6 | -175.2 | -64.8 | -10.3 | 0 | 0 | 0 | 114.9 | R158 S239 | R158-D161 VanDerWaalsContact CZ-C 3.49Å; R158-D161 PolarHBondContact NH1-O 3.36Å; R158-D161 PolarHBondContact NH2-O 3.43Å; D161-S239 PolarHBondContact N-OG 2.76Å; D161-S239 PolarHBondContact OD1-OG 2.99Å |
| 162 | N | 86 | Confident | 92.6 | Very high | 152 Ų | 152 | 40.9 Ų | 40.9 | 81% | 0.813 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -111.6 | -17.5 | 177.3 | -64.4 | -36.7 | 0 | 0 | 0 | 112.9 | R158 D160 | R158-N162 VanDerWaalsContact NH2-C 3.26Å; D160-N162 PolarHBondContact O-N 3.11Å; D160-N162 WeakPolarHBondContact OD1-CA 3.33Å; D160-N162 PolarHBondContact OD1-N 2.79Å |
| 163 | S | 88.5 | Confident | 92.4 | Very high | 27 Ų | 27 | 42.6 Ų | 42.6 | 19% | 0.189 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -67.4 | 156.5 | -179.2 | 67.4 | 0 | 0 | 0 | 0 | 112.7 | R158 F159 D160 | R158-S163 WeakPolarHBondContact CB-OG 3.43Å; R158-S163 PolarHBondContact NE-O 2.95Å; R158-S163 PolarHBondContact NH2-O 3.25Å; F159-S163 PolarHBondContact N-OG 3.4Å; D160-S163 PolarHBondContact N-OG 2.71Å; D160-S163 PolarHBondContact O-N 3.33Å; D160-S163 PolarHBondContact O-OG 2.89Å; D160-S163 WeakPolarHBondContact OD1-CB 3.49Å; D160-S163 PolarHBondContact OD1-N 3.3Å |
| 164 | E | 91.2 | Very high | 92.2 | Very high | 171 Ų | 171 | 45.6 Ų | 45.6 | 80% | 0.799 | 23% | 0.231 | S | C | * | . | trans | -74.6 | 156.8 | 176.3 | -62.7 | -169.1 | 155.3 | 0 | 0 | 112 | T166 | E164-T166 PolarHBondContact O-N 2.97Š| ||
| 165 | W | 94.2 | Very high | 91.9 | Very high | 89 Ų | 89 | 45.6 Ų | 45.6 | 34% | 0.337 | 23% | 0.231 | S | C | . | . | trans | -70 | 113.2 | 172.3 | -74.1 | 103.7 | 0 | 0 | 0 | 110.1 | T129 H156 R158 Q240 L242 | T129-W165 HydrophobicContact CG2-CH2 3.72Å; T129-W165 HydrophobicContact CG2-CZ2 3.74Å; H156-W165 HydrophobicContact CB-CE3 3.82Å; R158-W165 VanDerWaalsContact CD-CE2 3.47Å; R158-W165 HydrophobicContact CG-CD2 3.51Å; R158-W165 HydrophobicContact CG-CE3 3.48Å; R158-W165 VanDerWaalsContact CG-CE3 3.48Å; R158-W165 HydrophobicContact CG-CG 4.1Å; R158-W165 HydrophobicContact CG-CH2 3.91Å; R158-W165 HydrophobicContact CG-CZ2 3.96Å; R158-W165 HydrophobicContact CG-CZ3 3.66Å; W165-Q240 HydrophobicContact CH2-CB 3.66Å; W165-Q240 HydrophobicContact CZ2-CB 4.39Å; W165-Q240 HydrophobicContact CZ3-CB 4.28Å; W165-L242 HydrophobicContact CD2-CB 4.11Å; W165-L242 HydrophobicContact CD2-CD2 3.97Å; W165-L242 HydrophobicContact CE3-CB 3.53Å; W165-L242 HydrophobicContact CE3-CD2 4.14Å; W165-L242 HydrophobicContact CE3-CG 4.48Å; W165-L242 HydrophobicContact CG-CD2 4.37Å; W165-L242 HydrophobicContact CH2-CB 3.46Å; W165-L242 VanDerWaalsContact CH2-CB 3.46Å; W165-L242 HydrophobicContact CZ2-CB 4.01Å; W165-L242 HydrophobicContact CZ3-CB 3.2Å; W165-L242 HydrophobicContact CZ3-CG 4.49Å; W165-L242 VanDerWaalsContact CZ3-N 3.31Å | ||
| 166 | T | 93.5 | Very high | 91.3 | Very high | 63 Ų | 63 | 53.2 Ų | 53.2 | 39% | 0.387 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 134.1 | 175.4 | 56.1 | 0 | 0 | 0 | 0 | 110.2 | H156 K157 E164 | H156-T166 CarbonylContact C-O 3.54Å; H156-T166 VanDerWaalsContact CA-O 3.28Å; H156-T166 WeakPolarHBondContact CA-O 3.48Å; K157-T166 PolarHBondContact N-O 2.67Å; K157-T166 PolarHBondContact O-N 2.92Å; K157-T166 PolarHBondContact O-OG1 3.29Å; E164-T166 PolarHBondContact O-N 2.97Å |
| 167 | P | 94.8 | Very high | 90.7 | Very high | 38 Ų | 38 | 56.7 Ų | 56.7 | 25% | 0.247 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.6 | 140.5 | 169.7 | -22.3 | 32.9 | 0 | 0 | 0 | 110.5 | V154 Y170 L195 | V154-P167 HydrophobicContact CG1-CB 4.32Å; P167-Y170 HydrophobicContact CB-CE1 4.47Å; P167-Y170 HydrophobicContact CB-CE2 3.9Å; P167-Y170 VanDerWaalsContact CB-OH 3.31Å; P167-Y170 WeakPolarHBondContact CB-OH 3.41Å; P167-Y170 VanDerWaalsContact CG-OH 3.26Å; P167-Y170 WeakPolarHBondContact CG-OH 3.42Å; P167-L195 HydrophobicContact CB-CD2 4.21Å; P167-L195 WeakPolarHBondContact O-CD2 3.28Å |
| 168 | W | 94 | Very high | 90.1 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | -40.1 | -179.4 | -153.1 | 9.5 | 0 | 0 | 0 | 111.5 | V138 V141 I155 K157 F214 V216 W235 A238 I241 | V138-W168 HydrophobicContact CB-CH2 3.56Å; V138-W168 HydrophobicContact CB-CZ2 4.3Å; V138-W168 HydrophobicContact CB-CZ3 4.41Å; V138-W168 HydrophobicContact CG1-CH2 3.86Å; V138-W168 HydrophobicContact CG1-CZ3 4.31Å; V138-W168 HydrophobicContact CG2-CH2 3.88Å; V141-W168 HydrophobicContact CG2-CZ3 4.31Å; I155-W168 HydrophobicContact CG2-CE3 4.25Å; I155-W168 WeakPolarHBondContact O-CA 3.48Å; I155-W168 VanDerWaalsContact O-CB 3.26Å; I155-W168 WeakPolarHBondContact O-CB 3.34Å; I155-W168 PolarHBondContact O-N 2.76Å; K157-W168 HydrophobicContact CB-CD2 4.03Å; K157-W168 HydrophobicContact CB-CE3 3.78Å; K157-W168 HydrophobicContact CB-CG 4.44Å; K157-W168 HydrophobicContact CB-CZ3 4.1Å; K157-W168 HydrophobicContact CD-CD2 3.76Å; K157-W168 HydrophobicContact CD-CE3 4.25Å; K157-W168 HydrophobicContact CD-CG 4.03Å; K157-W168 HydrophobicContact CD-CH2 4.27Å; K157-W168 HydrophobicContact CD-CZ2 3.87Å; K157-W168 HydrophobicContact CD-CZ3 4.5Å; K157-W168 HydrophobicContact CG-CB 4.35Å; K157-W168 HydrophobicContact CG-CD2 4.06Å; K157-W168 HydrophobicContact CG-CE3 4.34Å; K157-W168 HydrophobicContact CG-CG 4.11Å; W168-F214 HydrophobicContact CB-CE1 4.06Å; W168-F214 HydrophobicContact CB-CZ 4.26Å; W168-F214 AromaticContact CD1-CZ 3.84Å; W168-F214 AromaticContact CD2-CE1 3.47Å; W168-F214 HydrophobicContact CD2-CE1 3.47Å; W168-F214 VanDerWaalsContact CD2-CE1 3.47Å; W168-F214 HydrophobicContact CD2-CZ 4.01Å; W168-F214 HydrophobicContact CE3-CD1 4.5Å; W168-F214 AromaticContact CE3-CE1 3.73Å; W168-F214 HydrophobicContact CE3-CE1 3.73Å; W168-F214 AromaticContact CG-CE1 3.59Å; W168-F214 HydrophobicContact CG-CE1 3.59Å; W168-F214 AromaticContact CG-CZ 3.75Å; W168-F214 HydrophobicContact CG-CZ 3.75Å; W168-V216 HydrophobicContact CH2-CG1 4.37Å; W168-V216 HydrophobicContact CH2-CG2 3.98Å; W168-V216 HydrophobicContact CZ2-CB 4.2Å; W168-V216 HydrophobicContact CZ2-CG1 3.38Å; W168-V216 HydrophobicContact CZ2-CG2 3.68Å; W168-V216 HydrophobicContact CZ3-CG2 4.46Å; W168-W235 AromaticContact CD1-CE2 3.68Å; W168-W235 AromaticContact CD1-CH2 3.5Å; W168-W235 VanDerWaalsContact CD1-CH2 3.5Å; W168-W235 AromaticContact CD1-CZ2 3.29Å; W168-W235 AromaticContact CD1-CZ3 4Å; W168-W235 AromaticContact NE1-CD2 3.93Å; W168-W235 AromaticContact NE1-CE2 3.5Å; W168-W235 AromaticContact NE1-CZ2 3.64Å; W168-W235 AromaticContact NE1-NE1 3.77Å; W168-W235 PolarHBondContact NE1-O 3.46Å; W168-A238 HydrophobicContact CH2-CB 3.85Å; W168-A238 HydrophobicContact CZ3-CB 4.16Å; W168-I241 HydrophobicContact CZ3-CD1 4.02Å; W168-I241 HydrophobicContact CZ3-CG1 4.11Å |
| 169 | A | 94.4 | Very high | 90 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 149.7 | 168.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | I155 F171 I196 Y198 F214 | I155-A169 PolarHBondContact N-O 3.31Å; I155-A169 PolarHBondContact O-N 2.88Å; A169-F171 HydrophobicContact CB-CE2 3.63Å; A169-F171 HydrophobicContact CB-CZ 3.83Å; A169-I196 HydrophobicContact CB-CG2 4.45Å; A169-Y198 HydrophobicContact CB-CE2 4.36Å; A169-F214 HydrophobicContact CB-CD1 4.41Å; A169-F214 HydrophobicContact CB-CD2 3.65Å; A169-F214 HydrophobicContact CB-CE1 4.18Å; A169-F214 HydrophobicContact CB-CE2 3.41Å; A169-F214 VanDerWaalsContact CB-CE2 3.41Å; A169-F214 HydrophobicContact CB-CG 4.18Å; A169-F214 HydrophobicContact CB-CZ 3.69Å |
| 170 | Y | 95.5 | Very high | 89.9 | Confident | 47 Ų | 47 | 60.2 Ų | 60.2 | 18% | 0.184 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 150 | 174.4 | -63 | -90.9 | 0 | 0 | 0 | 110.1 | V154 P167 F179 M181 L195 I196 C197 Y198 | V154-Y170 HydrophobicContact CB-CD1 4.39Å; V154-Y170 HydrophobicContact CG1-CD1 3.9Å; V154-Y170 HydrophobicContact CG1-CE1 3.85Å; V154-Y170 HydrophobicContact CG2-CD1 3.66Å; V154-Y170 HydrophobicContact CG2-CE1 3.95Å; P167-Y170 HydrophobicContact CB-CE1 4.47Å; P167-Y170 HydrophobicContact CB-CE2 3.9Å; P167-Y170 VanDerWaalsContact CB-OH 3.31Å; P167-Y170 WeakPolarHBondContact CB-OH 3.41Å; P167-Y170 VanDerWaalsContact CG-OH 3.26Å; P167-Y170 WeakPolarHBondContact CG-OH 3.42Å; Y170-F179 HydrophobicContact CD1-CB 4.46Å; Y170-F179 AromaticContact CD1-CD1 3.55Å; Y170-F179 HydrophobicContact CD1-CD1 3.55Å; Y170-F179 HydrophobicContact CD1-CD2 4.02Å; Y170-F179 AromaticContact CD1-CE1 3.62Å; Y170-F179 HydrophobicContact CD1-CE1 3.62Å; Y170-F179 HydrophobicContact CD1-CE2 4.06Å; Y170-F179 AromaticContact CD1-CG 3.76Å; Y170-F179 HydrophobicContact CD1-CG 3.76Å; Y170-F179 AromaticContact CD1-CZ 3.88Å; Y170-F179 HydrophobicContact CD1-CZ 3.88Å; Y170-F179 AromaticContact CE1-CD1 3.9Å; Y170-F179 HydrophobicContact CE1-CD1 3.9Å; Y170-F179 HydrophobicContact CE1-CE1 4.04Å; Y170-F179 HydrophobicContact CE1-CG 4.44Å; Y170-F179 HydrophobicContact CG-CD2 4.39Å; Y170-F179 HydrophobicContact CG-CG 4.35Å; Y170-M181 HydrophobicContact CD2-CE 4.18Å; Y170-M181 HydrophobicContact CD2-SD 3.39Å; Y170-M181 WeakPolarHBondContact CD2-SD 3.26Å; Y170-M181 HydrophobicContact CE2-SD 3.83Å; Y170-M181 HydrophobicContact CG-SD 3.87Å; Y170-L195 HydrophobicContact CE2-CD1 4.31Å; Y170-L195 HydrophobicContact CE2-CD2 4.16Å; Y170-I196 PolarHBondContact N-O 3.13Å; Y170-C197 CarbonylContact O-C 3.5Å; Y170-C197 VanDerWaalsContact O-CA 3.25Å; Y170-C197 WeakPolarHBondContact O-CA 3.25Å; Y170-Y198 PolarHBondContact O-N 2.88Å |
| 171 | F | 95.3 | Very high | 90 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 123.6 | 176.7 | -56.8 | -98.2 | 0 | 0 | 0 | 108 | A152 M153 I155 A169 Y198 Y201 S202 V212 F214 | A152-F171 CarbonylContact C-O 3.53Å; A152-F171 VanDerWaalsContact CA-O 3.27Å; A152-F171 WeakPolarHBondContact CA-O 3.44Å; M153-F171 HydrophobicContact CE-CB 3.64Å; M153-F171 HydrophobicContact CE-CD1 3.69Å; M153-F171 HydrophobicContact CE-CD2 3.6Å; M153-F171 HydrophobicContact CE-CE1 4.28Å; M153-F171 HydrophobicContact CE-CE2 4.22Å; M153-F171 HydrophobicContact CE-CG 3.34Å; M153-F171 HydrophobicContact CG-CB 3.58Å; M153-F171 HydrophobicContact CG-CD2 3.98Å; M153-F171 HydrophobicContact CG-CG 4.02Å; M153-F171 PolarHBondContact N-O 3.45Å; M153-F171 PolarHBondContact O-N 2.86Å; I155-F171 HydrophobicContact CB-CE2 4.35Å; I155-F171 HydrophobicContact CD1-CE2 3.59Å; I155-F171 HydrophobicContact CD1-CZ 3.93Å; I155-F171 HydrophobicContact CG1-CD2 4.37Å; I155-F171 HydrophobicContact CG1-CE2 3.72Å; A169-F171 HydrophobicContact CB-CE2 3.63Å; A169-F171 HydrophobicContact CB-CZ 3.83Å; F171-Y198 WeakPolarHBondContact CA-O 3.31Å; F171-Y198 AromaticContact CD1-CD2 4Å; F171-Y198 HydrophobicContact CD1-CD2 4Å; F171-Y198 HydrophobicContact CD1-CG 4.28Å; F171-Y198 AromaticContact CE1-CD2 3.45Å; F171-Y198 HydrophobicContact CE1-CD2 3.45Å; F171-Y198 VanDerWaalsContact CE1-CD2 3.45Å; F171-Y198 HydrophobicContact CE1-CE2 4.26Å; F171-Y198 HydrophobicContact CE1-CG 4.02Å; F171-Y198 AromaticContact CZ-CD2 3.85Å; F171-Y198 HydrophobicContact CZ-CD2 3.85Å; F171-Y198 HydrophobicContact CZ-CE2 4.35Å; F171-Y201 HydrophobicContact CD1-CD2 4.34Å; F171-Y201 HydrophobicContact CE1-CD2 4.09Å; F171-S202 WeakPolarHBondContact CB-OG 3.48Å; F171-V212 HydrophobicContact CD1-CG1 3.91Å; F171-V212 HydrophobicContact CE1-CG1 3.65Å; F171-V212 HydrophobicContact CZ-CG1 4.25Å; F171-F214 HydrophobicContact CZ-CB 3.92Å; F171-F214 HydrophobicContact CZ-CD2 4.34Å; F171-F214 HydrophobicContact CZ-CG 4.19Å |
| 172 | S | 93.7 | Very high | 90 | Very high | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 146.1 | 173.1 | -179.4 | 0 | 0 | 0 | 0 | 111.1 | H151 N174 Y198 E199 S202 | H151-S172 CarbonylContact O-C 3.47Å; H151-S172 WeakPolarHBondContact O-CA 3.39Å; H151-S172 WeakPolarHBondContact O-CB 3.33Å; H151-S172 PolarHBondContact O-OG 2.61Å; S172-N174 PolarHBondContact O-N 2.85Å; S172-N174 PolarHBondContact OG-N 2.86Å; S172-N174 PolarHBondContact OG-O 2.83Å; S172-Y198 PolarHBondContact N-O 2.84Å; S172-E199 VanDerWaalsContact O-CA 3.22Å; S172-E199 WeakPolarHBondContact O-CA 3.05Å; S172-E199 VanDerWaalsContact O-CG 3.32Å; S172-E199 WeakPolarHBondContact O-CG 3.38Å; S172-S202 PolarHBondContact N-OG 3.08Å |
| 173 | S | 88.5 | Confident | 89.7 | Confident | 35 Ų | 35 | 57.6 Ų | 57.6 | 25% | 0.245 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -11.8 | 173.5 | 63.8 | 0 | 0 | 0 | 0 | 113.9 | H151 S202 | H151-S173 PolarHBondContact CE1-OG 3.46Å; H151-S173 PolarHBondContact ND1-OG 3.35Å; H151-S173 PolarHBondContact O-N 2.99Å; S173-S202 WeakPolarHBondContact CB-O 3.33Å |
| 174 | N | 88.9 | Confident | 88.9 | Confident | 64 Ų | 64 | 58.9 Ų | 58.9 | 34% | 0.342 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -149 | 87.8 | 170.7 | -172.9 | -37.5 | 0 | 0 | 0 | 109.2 | S172 Y176 T177 Y178 E199 | S172-N174 PolarHBondContact O-N 2.85Å; S172-N174 PolarHBondContact OG-N 2.86Å; S172-N174 PolarHBondContact OG-O 2.83Å; N174-Y176 VanDerWaalsContact C-N 3.28Å; N174-Y176 PolarHBondContact O-N 2.86Å; N174-T177 VanDerWaalsContact CB-OG1 3.27Å; N174-T177 WeakPolarHBondContact CB-OG1 3.49Å; N174-T177 WeakPolarHBondContact ND2-CG2 3.4Å; N174-T177 PolarHBondContact O-N 2.89Å; N174-T177 PolarHBondContact O-OG1 2.85Å; N174-T177 VanDerWaalsContact O-OG1 3.04Å; N174-T177 WeakPolarHBondContact OD1-CB 3.48Å; N174-T177 VanDerWaalsContact OD1-CG2 3.24Å; N174-T177 WeakPolarHBondContact OD1-CG2 3.49Å; N174-T177 PolarHBondContact OD1-N 3.24Å; N174-T177 PolarHBondContact OD1-OG1 2.85Å; N174-Y178 PolarHBondContact O-N 2.87Å; N174-Y178 VanDerWaalsContact O-N 3.15Å; N174-E199 WeakPolarHBondContact CA-OE1 3.47Å |
| 175 | C | 89.8 | Confident | 88 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -58.8 | -37.9 | -174.5 | -79.2 | 0 | 0 | 0 | 0 | 112.9 | F179 G180 M181 C197 E199 | C175-F179 CarbonylContact O-C 3.39Å; C175-F179 WeakPolarHBondContact O-CA 3.31Å; C175-F179 PolarHBondContact O-N 3.11Å; C175-G180 PolarHBondContact O-N 2.03Å; C175-M181 CarbonylContact C-O 3.32Å; C175-M181 WeakPolarHBondContact CB-O 3.26Å; C175-M181 PolarHBondContact O-N 3.15Å; C175-C197 VanDerWaalsContact CA-SG 3.58Å; C175-C197 HydrophobicContact CB-CB 3.6Å; C175-C197 WeakPolarHBondContact CB-SG 3.37Å; C175-C197 WeakPolarHBondContact SG-CB 3.47Å; C175-C197 CovalentContact SG-SG 2.02Å; C175-C197 PolarHBondContact SG-SG 2.86Å; C175-E199 HydrophobicContact CB-CG 4.02Å; C175-E199 WeakPolarHBondContact CB-OE1 3.43Å; C175-E199 PolarHBondContact N-OE1 2.81Å; C175-E199 WeakPolarHBondContact SG-CG 3.32Å |
| 176 | Y | 84.3 | Confident | 86.9 | Confident | 161 Ų | 161 | 61.2 Ų | 61.2 | 63% | 0.631 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -67.4 | -45.1 | -179.3 | -176.2 | -98.5 | 0 | 0 | 0 | 111.4 | N174 G180 M181 | N174-Y176 VanDerWaalsContact C-N 3.28Å; N174-Y176 PolarHBondContact O-N 2.86Å; Y176-G180 WeakPolarHBondContact O-CA 3.41Å; Y176-G180 PolarHBondContact O-N 3.44Å; Y176-M181 VanDerWaalsContact CA-O 3.23Å; Y176-M181 WeakPolarHBondContact CA-O 3.07Å; Y176-M181 PolarHBondContact N-O 2.97Å |
| 177 | T | 83.7 | Confident | 85.8 | Confident | 97 Ų | 97 | 60.3 Ų | 60.3 | 60% | 0.595 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -72.4 | -37.3 | -177.7 | 59.6 | 0 | 0 | 0 | 0 | 113.6 | N174 | N174-T177 VanDerWaalsContact CB-OG1 3.27Å; N174-T177 WeakPolarHBondContact CB-OG1 3.49Å; N174-T177 WeakPolarHBondContact ND2-CG2 3.4Å; N174-T177 PolarHBondContact O-N 2.89Å; N174-T177 PolarHBondContact O-OG1 2.85Å; N174-T177 VanDerWaalsContact O-OG1 3.04Å; N174-T177 WeakPolarHBondContact OD1-CB 3.48Å; N174-T177 VanDerWaalsContact OD1-CG2 3.24Å; N174-T177 WeakPolarHBondContact OD1-CG2 3.49Å; N174-T177 PolarHBondContact OD1-N 3.24Å; N174-T177 PolarHBondContact OD1-OG1 2.85Å |
| 178 | Y | 84.5 | Confident | 84.8 | Confident | 82 Ų | 82 | 64 Ų | 64 | 32% | 0.322 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -91.2 | -37.8 | -173.4 | -160.6 | -86.3 | 0 | 0 | 0 | 113.1 | A152 N174 K246 K247 | A152-Y178 HydrophobicContact CB-CD1 3.5Å; A152-Y178 VanDerWaalsContact CB-CD1 3.5Å; A152-Y178 HydrophobicContact CB-CD2 4.09Å; A152-Y178 HydrophobicContact CB-CE1 3.36Å; A152-Y178 HydrophobicContact CB-CE2 3.99Å; A152-Y178 HydrophobicContact CB-CG 3.86Å; N174-Y178 PolarHBondContact O-N 2.87Å; N174-Y178 VanDerWaalsContact O-N 3.15Å; Y178-K246 HydrophobicContact CE1-CB 4.4Å; Y178-K246 HydrophobicContact CE1-CD 4.11Å; Y178-K247 HydrophobicContact CE2-CB 4.24Å; Y178-K247 HydrophobicContact CE2-CD 3.79Å |
| 179 | F | 91.8 | Very high | 84.3 | Confident | 47 Ų | 47 | 64.8 Ų | 64.8 | 21% | 0.206 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -117.3 | -4.3 | -177.3 | -65.2 | -63.5 | 0 | 0 | 0 | 114.1 | A152 V154 Y170 C175 M181 K246 | A152-F179 HydrophobicContact CB-CE2 4.24Å; A152-F179 HydrophobicContact CB-CZ 4.23Å; V154-F179 HydrophobicContact CG2-CE1 3.66Å; V154-F179 HydrophobicContact CG2-CE2 4.48Å; V154-F179 HydrophobicContact CG2-CZ 3.47Å; V154-F179 VanDerWaalsContact CG2-CZ 3.47Å; Y170-F179 HydrophobicContact CD1-CB 4.46Å; Y170-F179 AromaticContact CD1-CD1 3.55Å; Y170-F179 HydrophobicContact CD1-CD1 3.55Å; Y170-F179 HydrophobicContact CD1-CD2 4.02Å; Y170-F179 AromaticContact CD1-CE1 3.62Å; Y170-F179 HydrophobicContact CD1-CE1 3.62Å; Y170-F179 HydrophobicContact CD1-CE2 4.06Å; Y170-F179 AromaticContact CD1-CG 3.76Å; Y170-F179 HydrophobicContact CD1-CG 3.76Å; Y170-F179 AromaticContact CD1-CZ 3.88Å; Y170-F179 HydrophobicContact CD1-CZ 3.88Å; Y170-F179 AromaticContact CE1-CD1 3.9Å; Y170-F179 HydrophobicContact CE1-CD1 3.9Å; Y170-F179 HydrophobicContact CE1-CE1 4.04Å; Y170-F179 HydrophobicContact CE1-CG 4.44Å; Y170-F179 HydrophobicContact CG-CD2 4.39Å; Y170-F179 HydrophobicContact CG-CG 4.35Å; C175-F179 CarbonylContact O-C 3.39Å; C175-F179 WeakPolarHBondContact O-CA 3.31Å; C175-F179 PolarHBondContact O-N 3.11Å; F179-M181 HydrophobicContact CB-CG 4.2Å; F179-M181 HydrophobicContact CB-SD 4.49Å; F179-M181 PolarHBondContact O-N 3.38Å; F179-K246 HydrophobicContact CE1-CD 4.11Å; F179-K246 HydrophobicContact CZ-CD 4.1Å |
| 180 | G | 87.6 | Confident | 83.7 | Confident | 54 Ų | 54 | 70.9 Ų | 70.9 | 56% | 0.557 | 37% | 0.374 | S | S | * | . | S | Bend | trans | 70.3 | 16.5 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | C175 Y176 | C175-G180 PolarHBondContact O-N 2.03Å; Y176-G180 WeakPolarHBondContact O-CA 3.41Å; Y176-G180 PolarHBondContact O-N 3.44Å |
| 181 | M | 87.2 | Confident | 83.1 | Confident | 42 Ų | 42 | 75 Ų | 75 | 21% | 0.207 | 39% | 0.393 | C | S | . | . | P | Polyproline II helix | trans | -103.4 | 138.5 | -175.2 | -67.6 | -174 | 66.3 | 0 | 0 | 111.6 | Y170 C175 Y176 F179 Y183 L195 C197 | Y170-M181 HydrophobicContact CD2-CE 4.18Å; Y170-M181 HydrophobicContact CD2-SD 3.39Å; Y170-M181 WeakPolarHBondContact CD2-SD 3.26Å; Y170-M181 HydrophobicContact CE2-SD 3.83Å; Y170-M181 HydrophobicContact CG-SD 3.87Å; C175-M181 CarbonylContact C-O 3.32Å; C175-M181 WeakPolarHBondContact CB-O 3.26Å; C175-M181 PolarHBondContact O-N 3.15Å; Y176-M181 VanDerWaalsContact CA-O 3.23Å; Y176-M181 WeakPolarHBondContact CA-O 3.07Å; Y176-M181 PolarHBondContact N-O 2.97Å; F179-M181 HydrophobicContact CB-CG 4.2Å; F179-M181 HydrophobicContact CB-SD 4.49Å; F179-M181 PolarHBondContact O-N 3.38Å; M181-Y183 PolarHBondContact O-N 3.43Å; M181-L195 HydrophobicContact CE-CB 4.3Å; M181-C197 HydrophobicContact CB-CB 3.86Å; M181-C197 HydrophobicContact CE-CB 4.08Å; M181-C197 HydrophobicContact SD-CB 3.95Å |
| 182 | V | 81.4 | Confident | 82.4 | Confident | 127 Ų | 127 | 76 Ų | 76 | 77% | 0.77 | 40% | 0.399 | S | S | * | . | P | Polyproline II helix | trans | -77.5 | 121.7 | 175.5 | -177.8 | 0 | 0 | 0 | 0 | 109.1 | ||
| 183 | Y | 80.7 | Confident | 81.9 | Confident | 66 Ų | 66 | 80.8 Ų | 80.8 | 26% | 0.259 | 43% | 0.425 | S | S | . | . | P | Polyproline II helix | trans | -77.9 | 136.2 | 173.5 | 168.6 | -120.7 | 0 | 0 | 0 | 111.2 | M181 P185 C197 E199 E200 | M181-Y183 PolarHBondContact O-N 3.43Å; Y183-P185 HydrophobicContact CE1-CB 4.29Å; Y183-C197 WeakPolarHBondContact CD2-O 3.46Å; Y183-E199 VanDerWaalsContact CB-CD 3.45Å; Y183-E199 WeakPolarHBondContact CB-OE1 3.33Å; Y183-E199 HydrophobicContact CD1-CB 3.98Å; Y183-E199 VanDerWaalsContact CD1-CD 3.44Å; Y183-E199 HydrophobicContact CD1-CG 3.73Å; Y183-E199 WeakPolarHBondContact CD1-OE2 3.48Å; Y183-E199 HydrophobicContact CD2-CB 3.98Å; Y183-E199 HydrophobicContact CD2-CG 3.7Å; Y183-E199 HydrophobicContact CE1-CB 3.98Å; Y183-E199 HydrophobicContact CE1-CG 4.26Å; Y183-E199 HydrophobicContact CE2-CB 4Å; Y183-E199 HydrophobicContact CE2-CG 4.25Å; Y183-E199 HydrophobicContact CG-CB 3.97Å; Y183-E199 VanDerWaalsContact CG-CD 3.46Å; Y183-E199 HydrophobicContact CG-CG 3.41Å; Y183-E199 VanDerWaalsContact CG-CG 3.41Å; Y183-E200 WeakPolarHBondContact CE2-OE2 3.17Å; Y183-E200 PolarHBondContact OH-OE2 3.3Å |
| 184 | S | 72.8 | Confident | 81.9 | Confident | 53 Ų | 53 | 82.7 Ų | 82.7 | 37% | 0.371 | 43% | 0.43 | S | S | . | . | trans | -126.7 | 121.7 | 170.1 | -179.4 | 0 | 0 | 0 | 0 | 109.8 | R186 | S184-R186 PolarHBondContact O-N 3.33Å; S184-R186 PolarHBondContact OG-O 3.4Å | ||
| 185 | P | 71.1 | Confident | 81.9 | Confident | 92 Ų | 92 | 83 Ų | 83 | 60% | 0.597 | 43% | 0.431 | S | S | * | . | S | Bend | trans | -68.2 | -13.1 | -180 | 25 | -32.5 | 0 | 0 | 0 | 113.9 | Y183 | Y183-P185 HydrophobicContact CE1-CB 4.29Š|
| 186 | R | 71.1 | Confident | 81.8 | Confident | 218 Ų | 218 | 83.8 Ų | 83.8 | 82% | 0.823 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -135.6 | 86.7 | 171.1 | -72 | -172.8 | -178.7 | -180 | 0.3 | 108.5 | S184 | S184-R186 PolarHBondContact O-N 3.33Å; S184-R186 PolarHBondContact OG-O 3.4Å |
| 187 | P | 69.7 | Low | 82.2 | Confident | 43 Ų | 43 | 76.1 Ų | 76.1 | 28% | 0.279 | 41% | 0.405 | S | S | . | . | trans | -69.1 | 134.8 | -177.1 | 27.3 | -33.6 | 0 | 0 | 0 | 111.5 | F189 I196 | P187-F189 HydrophobicContact CB-CE2 4.22Å; P187-F189 HydrophobicContact CB-CZ 4.12Å; P187-F189 HydrophobicContact CG-CE2 4.28Å; P187-F189 HydrophobicContact CG-CZ 4.3Å; P187-I196 HydrophobicContact CB-CD1 3.18Å; P187-I196 HydrophobicContact CG-CD1 3.41Å; P187-I196 VanDerWaalsContact CG-CD1 3.41Å | ||
| 188 | V | 75.5 | Confident | 82.6 | Confident | 116 Ų | 116 | 72.3 Ų | 72.3 | 70% | 0.703 | 38% | 0.38 | S | S | * | . | trans | -115.4 | 120.1 | 169.9 | -178.4 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 189 | F | 82.2 | Confident | 82.9 | Confident | 16 Ų | 16 | 70.4 Ų | 70.4 | 7% | 0.07 | 37% | 0.374 | C | S | . | . | trans | -92.5 | 125.8 | -178 | -60.2 | -82.8 | 0 | 0 | 0 | 109.2 | P187 E194 I196 G219 R220 P221 | P187-F189 HydrophobicContact CB-CE2 4.22Å; P187-F189 HydrophobicContact CB-CZ 4.12Å; P187-F189 HydrophobicContact CG-CE2 4.28Å; P187-F189 HydrophobicContact CG-CZ 4.3Å; F189-E194 WeakPolarHBondContact CA-OE2 3.48Å; F189-E194 HydrophobicContact CD1-CB 4.22Å; F189-I196 HydrophobicContact CE1-CB 4.21Å; F189-I196 HydrophobicContact CE1-CD1 4.29Å; F189-I196 HydrophobicContact CE1-CG2 4.32Å; F189-I196 HydrophobicContact CZ-CD1 4.04Å; F189-I196 HydrophobicContact CZ-CG2 4.45Å; F189-G219 WeakPolarHBondContact CD2-O 3.37Å; F189-R220 HydrophobicContact CB-CB 4.49Å; F189-R220 HydrophobicContact CB-CG 4.13Å; F189-R220 HydrophobicContact CD1-CG 4.38Å; F189-R220 HydrophobicContact CD2-CG 3.8Å; F189-R220 VanDerWaalsContact CE1-NH2 3.31Å; F189-R220 HydrophobicContact CE2-CG 4.26Å; F189-R220 HydrophobicContact CG-CG 3.85Å; F189-P221 WeakPolarHBondContact O-CD 3.24Å; F189-P221 WeakPolarHBondContact O-CG 3.12Å | ||
| 190 | N | 82.2 | Confident | 82.6 | Confident | 128 Ų | 128 | 71.1 Ų | 71.1 | 68% | 0.684 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -89.8 | -24.2 | 174.6 | -62.8 | -57.4 | 0 | 0 | 0 | 111.8 | E194 | N190-E194 PolarHBondContact N-OE2 2.97Š|
| 191 | K | 83.8 | Confident | 82.7 | Confident | 134 Ų | 134 | 71 Ų | 71 | 58% | 0.583 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -131.3 | 148.9 | 177.7 | -61.4 | -176.4 | -178.7 | -178.8 | 0 | 111.4 | D193 E194 | K191-D193 WeakPolarHBondContact CB-OD1 3.46Å; K191-D193 PolarHBondContact O-N 2.74Å; K191-E194 HydrophobicContact CB-CB 4.47Å; K191-E194 WeakPolarHBondContact O-CB 3.38Å; K191-E194 PolarHBondContact O-N 3.13Å |
| 192 | P | 79.4 | Confident | 82.9 | Confident | 21 Ų | 21 | 69 Ų | 69 | 14% | 0.136 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -31.7 | 178.2 | -24.8 | 34.3 | 0 | 0 | 0 | 114.1 | R220 D231 L232 W235 | P192-R220 VanDerWaalsContact O-CD 3.25Å; P192-R220 WeakPolarHBondContact O-CD 3.41Å; P192-R220 PolarHBondContact O-NH1 2.98Å; P192-D231 HydrophobicContact CG-CB 4.34Å; P192-L232 HydrophobicContact CB-CB 4.17Å; P192-L232 HydrophobicContact CB-CD1 4.06Å; P192-W235 VanDerWaalsContact O-CD1 3.31Å; P192-W235 VanDerWaalsContact O-CG 3.26Å; P192-W235 PolarHBondContact O-NE1 3.31Å |
| 193 | D | 83.8 | Confident | 83.1 | Confident | 101 Ų | 101 | 66 Ų | 66 | 54% | 0.54 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | 8.5 | -175 | 65 | -23.3 | 0 | 0 | 0 | 114.4 | K191 L195 W235 | K191-D193 WeakPolarHBondContact CB-OD1 3.46Å; K191-D193 PolarHBondContact O-N 2.74Å; D193-L195 PolarHBondContact O-N 2.9Å; D193-W235 HydrophobicContact CB-CE3 3.91Å; D193-W235 HydrophobicContact CB-CZ3 4.22Å |
| 194 | E | 87.5 | Confident | 83 | Confident | 74 Ų | 74 | 66 Ų | 66 | 35% | 0.346 | 34% | 0.337 | S | S | . | . | trans | -66.6 | 124.8 | -177.3 | -174.8 | 169.7 | -167.3 | 0 | 0 | 111.7 | F189 N190 K191 R220 | F189-E194 WeakPolarHBondContact CA-OE2 3.48Å; F189-E194 HydrophobicContact CD1-CB 4.22Å; N190-E194 PolarHBondContact N-OE2 2.97Å; K191-E194 HydrophobicContact CB-CB 4.47Å; K191-E194 WeakPolarHBondContact O-CB 3.38Å; K191-E194 PolarHBondContact O-N 3.13Å; E194-R220 PolarHBondContact O-NH1 2.75Å; E194-R220 PolarHBondContact O-NH2 3.5Å | ||
| 195 | L | 89.7 | Confident | 83.2 | Confident | 72 Ų | 72 | 69.9 Ų | 69.9 | 38% | 0.377 | 35% | 0.35 | S | S | . | . | trans | -79.7 | 144.6 | -179.8 | -76.2 | 162.7 | 0 | 0 | 0 | 111.6 | P167 Y170 M181 D193 W235 | P167-L195 HydrophobicContact CB-CD2 4.21Å; P167-L195 WeakPolarHBondContact O-CD2 3.28Å; Y170-L195 HydrophobicContact CE2-CD1 4.31Å; Y170-L195 HydrophobicContact CE2-CD2 4.16Å; M181-L195 HydrophobicContact CE-CB 4.3Å; D193-L195 PolarHBondContact O-N 2.9Å; L195-W235 HydrophobicContact CD2-CH2 4.12Å | ||
| 196 | I | 88.1 | Confident | 83.7 | Confident | 15 Ų | 15 | 67.7 Ų | 67.7 | 8% | 0.077 | 34% | 0.335 | C | S | . | . | trans | -131.3 | 151.3 | -178.9 | -173.2 | 165.4 | 0 | 0 | 0 | 111.5 | A169 Y170 P187 F189 Y198 | A169-I196 HydrophobicContact CB-CG2 4.45Å; Y170-I196 PolarHBondContact N-O 3.13Å; P187-I196 HydrophobicContact CB-CD1 3.18Å; P187-I196 HydrophobicContact CG-CD1 3.41Å; P187-I196 VanDerWaalsContact CG-CD1 3.41Å; F189-I196 HydrophobicContact CE1-CB 4.21Å; F189-I196 HydrophobicContact CE1-CD1 4.29Å; F189-I196 HydrophobicContact CE1-CG2 4.32Å; F189-I196 HydrophobicContact CZ-CD1 4.04Å; F189-I196 HydrophobicContact CZ-CG2 4.45Å; I196-Y198 HydrophobicContact CB-CE2 4.5Å; I196-Y198 HydrophobicContact CD1-CD1 4.37Å; I196-Y198 HydrophobicContact CD1-CE1 3.77Å; I196-Y198 HydrophobicContact CD1-CE2 4.38Å; I196-Y198 HydrophobicContact CG1-CE1 4.41Å; I196-Y198 HydrophobicContact CG1-CE2 4.37Å; I196-Y198 HydrophobicContact CG2-CD2 4.14Å; I196-Y198 HydrophobicContact CG2-CE2 3.4Å | ||
| 197 | C | 92 | Very high | 83.9 | Confident | 1 Ų | 1 | 58.6 Ų | 58.6 | 1% | 0.007 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 125.4 | 168.1 | -170.9 | 0 | 0 | 0 | 0 | 110.6 | Y170 C175 M181 Y183 | Y170-C197 CarbonylContact O-C 3.5Å; Y170-C197 VanDerWaalsContact O-CA 3.25Å; Y170-C197 WeakPolarHBondContact O-CA 3.25Å; C175-C197 VanDerWaalsContact CA-SG 3.58Å; C175-C197 HydrophobicContact CB-CB 3.6Å; C175-C197 WeakPolarHBondContact CB-SG 3.37Å; C175-C197 WeakPolarHBondContact SG-CB 3.47Å; C175-C197 CovalentContact SG-SG 2.02Å; C175-C197 PolarHBondContact SG-SG 2.86Å; M181-C197 HydrophobicContact CB-CB 3.86Å; M181-C197 HydrophobicContact CE-CB 4.08Å; M181-C197 HydrophobicContact SD-CB 3.95Å; Y183-C197 WeakPolarHBondContact CD2-O 3.46Å |
| 198 | Y | 91.9 | Very high | 84.5 | Confident | 16 Ų | 16 | 60 Ų | 60 | 6% | 0.063 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 131.7 | 178.9 | -64.4 | -80.1 | 0 | 0 | 0 | 111.3 | A169 Y170 F171 S172 I196 E200 Y201 F214 | A169-Y198 HydrophobicContact CB-CE2 4.36Å; Y170-Y198 PolarHBondContact O-N 2.88Å; F171-Y198 WeakPolarHBondContact CA-O 3.31Å; F171-Y198 AromaticContact CD1-CD2 4Å; F171-Y198 HydrophobicContact CD1-CD2 4Å; F171-Y198 HydrophobicContact CD1-CG 4.28Å; F171-Y198 AromaticContact CE1-CD2 3.45Å; F171-Y198 HydrophobicContact CE1-CD2 3.45Å; F171-Y198 VanDerWaalsContact CE1-CD2 3.45Å; F171-Y198 HydrophobicContact CE1-CE2 4.26Å; F171-Y198 HydrophobicContact CE1-CG 4.02Å; F171-Y198 AromaticContact CZ-CD2 3.85Å; F171-Y198 HydrophobicContact CZ-CD2 3.85Å; F171-Y198 HydrophobicContact CZ-CE2 4.35Å; S172-Y198 PolarHBondContact N-O 2.84Å; I196-Y198 HydrophobicContact CB-CE2 4.5Å; I196-Y198 HydrophobicContact CD1-CD1 4.37Å; I196-Y198 HydrophobicContact CD1-CE1 3.77Å; I196-Y198 HydrophobicContact CD1-CE2 4.38Å; I196-Y198 HydrophobicContact CG1-CE1 4.41Å; I196-Y198 HydrophobicContact CG1-CE2 4.37Å; I196-Y198 HydrophobicContact CG2-CD2 4.14Å; I196-Y198 HydrophobicContact CG2-CE2 3.4Å; Y198-E200 WeakPolarHBondContact CD1-OE1 2.99Å; Y198-Y201 HydrophobicContact CD1-CD2 4.24Å; Y198-Y201 HydrophobicContact CD1-CE2 4.25Å; Y198-Y201 HydrophobicContact CG-CD2 4.04Å; Y198-Y201 HydrophobicContact CG-CE2 4.44Å; Y198-F214 HydrophobicContact CE2-CD2 4.06Å; Y198-F214 HydrophobicContact CE2-CE2 4.5Å |
| 199 | E | 91.7 | Very high | 84.9 | Confident | 43 Ų | 43 | 60.1 Ų | 60.1 | 20% | 0.201 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -99.3 | -34.1 | 177 | -62.7 | -168.9 | 165.1 | 0 | 0 | 112.6 | S172 N174 C175 Y183 Y201 S202 T203 | S172-E199 VanDerWaalsContact O-CA 3.22Å; S172-E199 WeakPolarHBondContact O-CA 3.05Å; S172-E199 VanDerWaalsContact O-CG 3.32Å; S172-E199 WeakPolarHBondContact O-CG 3.38Å; N174-E199 WeakPolarHBondContact CA-OE1 3.47Å; C175-E199 HydrophobicContact CB-CG 4.02Å; C175-E199 WeakPolarHBondContact CB-OE1 3.43Å; C175-E199 PolarHBondContact N-OE1 2.81Å; C175-E199 WeakPolarHBondContact SG-CG 3.32Å; Y183-E199 VanDerWaalsContact CB-CD 3.45Å; Y183-E199 WeakPolarHBondContact CB-OE1 3.33Å; Y183-E199 HydrophobicContact CD1-CB 3.98Å; Y183-E199 VanDerWaalsContact CD1-CD 3.44Å; Y183-E199 HydrophobicContact CD1-CG 3.73Å; Y183-E199 WeakPolarHBondContact CD1-OE2 3.48Å; Y183-E199 HydrophobicContact CD2-CB 3.98Å; Y183-E199 HydrophobicContact CD2-CG 3.7Å; Y183-E199 HydrophobicContact CE1-CB 3.98Å; Y183-E199 HydrophobicContact CE1-CG 4.26Å; Y183-E199 HydrophobicContact CE2-CB 4Å; Y183-E199 HydrophobicContact CE2-CG 4.25Å; Y183-E199 HydrophobicContact CG-CB 3.97Å; Y183-E199 VanDerWaalsContact CG-CD 3.46Å; Y183-E199 HydrophobicContact CG-CG 3.41Å; Y183-E199 VanDerWaalsContact CG-CG 3.41Å; E199-Y201 PolarHBondContact O-N 3.01Å; E199-S202 PolarHBondContact O-N 2.03Å; E199-T203 PolarHBondContact O-N 3.39Å |
| 200 | E | 85.9 | Confident | 85.2 | Confident | 61 Ų | 61 | 59.4 Ų | 59.4 | 29% | 0.285 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -28.8 | -177.4 | 66 | -88.8 | -135.8 | 0 | 0 | 113.3 | R149 Y183 Y198 | R149-E200 PolarHBondContact NH1-O 2.82Å; R149-E200 PolarHBondContact NH2-O 3.13Å; Y183-E200 WeakPolarHBondContact CE2-OE2 3.17Å; Y183-E200 PolarHBondContact OH-OE2 3.3Å; Y198-E200 WeakPolarHBondContact CD1-OE1 2.99Å |
| 201 | Y | 89.6 | Confident | 85.7 | Confident | 53 Ų | 53 | 57.5 Ų | 57.5 | 21% | 0.208 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | -4.3 | 179.2 | -66.5 | -56.6 | 0 | 0 | 0 | 114.3 | R149 F171 Y198 E199 E211 V212 I213 | R149-Y201 WeakPolarHBondContact CD-O 3.31Å; R149-Y201 PolarHBondContact NE-O 2.98Å; F171-Y201 HydrophobicContact CD1-CD2 4.34Å; F171-Y201 HydrophobicContact CE1-CD2 4.09Å; Y198-Y201 HydrophobicContact CD1-CD2 4.24Å; Y198-Y201 HydrophobicContact CD1-CE2 4.25Å; Y198-Y201 HydrophobicContact CG-CD2 4.04Å; Y198-Y201 HydrophobicContact CG-CE2 4.44Å; E199-Y201 PolarHBondContact O-N 3.01Å; Y201-E211 WeakPolarHBondContact CD1-O 3Å; Y201-V212 HydrophobicContact CD1-CB 4.42Å; Y201-V212 HydrophobicContact CD1-CG1 4.49Å; Y201-V212 HydrophobicContact CG-CB 4.46Å; Y201-V212 HydrophobicContact CG-CG1 4.09Å; Y201-I213 HydrophobicContact CE1-CB 4.23Å; Y201-I213 HydrophobicContact CE1-CG1 4.21Å; Y201-I213 WeakPolarHBondContact CE2-O 3.45Å |
| 202 | S | 90.1 | Very high | 86 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -120.1 | 6.9 | -179.4 | -81.2 | 0 | 0 | 0 | 0 | 113.4 | P150 F171 S172 S173 E199 H249 | P150-S202 VanDerWaalsContact O-CB 3.27Å; P150-S202 WeakPolarHBondContact O-CB 3.11Å; P150-S202 PolarHBondContact O-OG 3.39Å; F171-S202 WeakPolarHBondContact CB-OG 3.48Å; S172-S202 PolarHBondContact N-OG 3.08Å; S173-S202 WeakPolarHBondContact CB-O 3.33Å; E199-S202 PolarHBondContact O-N 2.03Å; S202-H249 PolarHBondContact O-CE1 2.97Å; S202-H249 VanDerWaalsContact O-CE1 3.25Å; S202-H249 PolarHBondContact O-NE2 2.89Å |
| 203 | T | 85.4 | Confident | 86.6 | Confident | 62 Ų | 62 | 51.9 Ų | 51.9 | 38% | 0.38 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -68.6 | 148.2 | 171.5 | 61.4 | 0 | 0 | 0 | 0 | 111.3 | R149 E199 Q205 | R149-T203 PolarHBondContact NH2-O 3.25Å; R149-T203 PolarHBondContact NH2-OG1 2.02Å; E199-T203 PolarHBondContact O-N 3.39Å; T203-Q205 VanDerWaalsContact C-N 3.26Å; T203-Q205 PolarHBondContact O-N 2.83Å; T203-Q205 PolarHBondContact OG1-O 3.34Å |
| 204 | L | 79.1 | Confident | 87 | Confident | 67 Ų | 67 | 47 Ų | 47 | 35% | 0.351 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -59.5 | -33 | -175.8 | 178.8 | 64.5 | 0 | 0 | 0 | 113.4 | P148 P206 L207 H249 | P148-L204 HydrophobicContact CB-CD1 3.99Å; P148-L204 HydrophobicContact CG-CD1 4.47Å; L204-P206 CarbonylContact O-C 3.57Å; L204-L207 HydrophobicContact CD1-CD2 3.8Å; L204-L207 HydrophobicContact CG-CD2 3.98Å; L204-H249 HydrophobicContact CD1-CB 3.72Å |
| 205 | Q | 77.4 | Confident | 87 | Confident | 135 Ų | 135 | 44.6 Ų | 44.6 | 63% | 0.631 | 22% | 0.22 | S | C | * | . | trans | -92.1 | 134.9 | 178 | -172.4 | 65.9 | 4.9 | 0 | 0 | 110.2 | R149 T203 | R149-Q205 PolarHBondContact NH2-O 3.25Å; T203-Q205 VanDerWaalsContact C-N 3.26Å; T203-Q205 PolarHBondContact O-N 2.83Å; T203-Q205 PolarHBondContact OG1-O 3.34Å | ||
| 206 | P | 82.3 | Confident | 87.1 | Confident | 45 Ų | 45 | 41.1 Ų | 41.1 | 29% | 0.292 | 20% | 0.202 | S | C | . | . | cis | -78.7 | 147.7 | -0.8 | 35.9 | -36.7 | 0 | 0 | 0 | 113.6 | L204 Y208 | L204-P206 CarbonylContact O-C 3.57Å; P206-Y208 WeakPolarHBondContact CB-O 3.35Å; P206-Y208 PolarHBondContact O-N 3Å | ||
| 207 | L | 74.9 | Confident | 87 | Confident | 28 Ų | 28 | 41.1 Ų | 41.1 | 15% | 0.147 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -65.6 | -22.6 | 176.2 | -70.3 | 173 | 0 | 0 | 0 | 113.3 | S147 P148 L204 | S147-L207 CarbonylContact C-O 3.57Å; P148-L207 WeakPolarHBondContact CA-O 3.37Å; P148-L207 HydrophobicContact CB-CD2 4.43Å; P148-L207 VanDerWaalsContact CD-O 3.32Å; P148-L207 WeakPolarHBondContact CD-O 3.48Å; P148-L207 HydrophobicContact CG-CD2 3.87Å; P148-L207 WeakPolarHBondContact CG-O 3.48Å; L204-L207 HydrophobicContact CD1-CD2 3.8Å; L204-L207 HydrophobicContact CG-CD2 3.98Å |
| 208 | Y | 81.6 | Confident | 86.5 | Confident | 71 Ų | 71 | 43.2 Ų | 43.2 | 28% | 0.278 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -141.7 | 149.8 | -178.5 | -63.1 | -76.7 | 0 | 0 | 0 | 109 | I72 H73 K146 P206 G210 | I72-Y208 HydrophobicContact CG2-CE1 4.06Å; I72-Y208 HydrophobicContact CG2-CE2 4.23Å; I72-Y208 WeakPolarHBondContact CG2-OH 3.48Å; H73-Y208 PolarHBondContact N-OH 2.9Å; H73-Y208 PolarHBondContact O-OH 2.04Å; K146-Y208 WeakPolarHBondContact O-CD1 3.48Å; K146-Y208 WeakPolarHBondContact O-CE1 3.47Å; P206-Y208 WeakPolarHBondContact CB-O 3.35Å; P206-Y208 PolarHBondContact O-N 3Å; Y208-G210 PolarHBondContact O-N 3.22Å |
| 209 | E | 83.5 | Confident | 85.9 | Confident | 120 Ų | 120 | 45.3 Ų | 45.3 | 56% | 0.561 | 24% | 0.239 | S | C | * | . | S | Bend | trans | 57.3 | 33.9 | -177.4 | -53.6 | -160.9 | 145.7 | 0 | 0 | 113.3 | F145 E211 | F145-E209 WeakPolarHBondContact O-CA 3.41Å; F145-E209 PolarHBondContact O-N 3.49Å; E209-E211 PolarHBondContact O-N 3.43Å |
| 210 | G | 88.6 | Confident | 85.6 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 120.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | F145 Y208 | F145-G210 PolarHBondContact N-O 2.78Å; F145-G210 PolarHBondContact O-N 3.41Å; Y208-G210 PolarHBondContact O-N 3.22Å |
| 211 | E | 92.6 | Very high | 85.5 | Confident | 88 Ų | 88 | 42.5 Ų | 42.5 | 41% | 0.411 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 147.8 | 178.7 | -57.9 | -176.8 | 134.4 | 0 | 0 | 111.7 | Y142 L143 Q144 R149 Y201 E209 | Y142-E211 HydrophobicContact CE2-CB 4.28Å; Y142-E211 HydrophobicContact CE2-CG 4.25Å; Y142-E211 PolarHBondContact OH-OE1 3.36Å; L143-E211 CarbonylContact O-C 3.44Å; L143-E211 WeakPolarHBondContact O-CA 2.94Å; Q144-E211 HydrophobicContact CG-CG 4.4Å; R149-E211 WeakPolarHBondContact CD-O 2.95Å; R149-E211 PolarHBondContact NH1-O 3.32Å; Y201-E211 WeakPolarHBondContact CD1-O 3Å; E209-E211 PolarHBondContact O-N 3.43Å |
| 212 | V | 92 | Very high | 85 | Confident | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.006 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 122.9 | 169.3 | 179.3 | 0 | 0 | 0 | 0 | 107.5 | Y142 L143 F145 R149 M153 F171 Y201 | Y142-V212 WeakPolarHBondContact CA-O 3.41Å; L143-V212 HydrophobicContact CB-CB 4.16Å; L143-V212 PolarHBondContact N-O 3.44Å; L143-V212 PolarHBondContact O-N 2.87Å; F145-V212 HydrophobicContact CD2-CG2 4.11Å; F145-V212 HydrophobicContact CE2-CG2 3.75Å; R149-V212 HydrophobicContact CG-CG2 4.32Å; M153-V212 HydrophobicContact CE-CB 4.08Å; M153-V212 HydrophobicContact CE-CG1 3.35Å; M153-V212 HydrophobicContact CE-CG2 3.83Å; F171-V212 HydrophobicContact CD1-CG1 3.91Å; F171-V212 HydrophobicContact CE1-CG1 3.65Å; F171-V212 HydrophobicContact CZ-CG1 4.25Å; Y201-V212 HydrophobicContact CD1-CB 4.42Å; Y201-V212 HydrophobicContact CD1-CG1 4.49Å; Y201-V212 HydrophobicContact CG-CB 4.46Å; Y201-V212 HydrophobicContact CG-CG1 4.09Å |
| 213 | I | 90.2 | Very high | 84.5 | Confident | 36 Ų | 36 | 46 Ų | 46 | 19% | 0.185 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 112.7 | 179.7 | -45.1 | -175.2 | 0 | 0 | 0 | 108.4 | Y142 Y201 | Y142-I213 HydrophobicContact CD2-CD1 4.35Å; Y142-I213 HydrophobicContact CD2-CG1 3.92Å; Y142-I213 HydrophobicContact CE2-CD1 4.46Å; Y142-I213 HydrophobicContact CE2-CG1 4.28Å; Y201-I213 HydrophobicContact CE1-CB 4.23Å; Y201-I213 HydrophobicContact CE1-CG1 4.21Å; Y201-I213 WeakPolarHBondContact CE2-O 3.45Å |
| 214 | F | 92.1 | Very high | 84 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 107.6 | 172.7 | 176.1 | -137.8 | 0 | 0 | 0 | 109.8 | Y140 V141 I155 W168 A169 F171 Y198 V216 | Y140-F214 CarbonylContact C-O 2.99Å; Y140-F214 WeakPolarHBondContact CA-O 3.32Å; Y140-F214 WeakPolarHBondContact CB-O 2.95Å; V141-F214 HydrophobicContact CB-CB 4.24Å; V141-F214 HydrophobicContact CB-CD1 4.21Å; V141-F214 HydrophobicContact CG2-CD1 4.16Å; V141-F214 PolarHBondContact N-O 2.84Å; V141-F214 PolarHBondContact O-N 2.62Å; I155-F214 HydrophobicContact CD1-CB 4.11Å; I155-F214 HydrophobicContact CD1-CD1 4.16Å; I155-F214 HydrophobicContact CD1-CG 4.4Å; I155-F214 HydrophobicContact CG2-CD1 4.47Å; W168-F214 HydrophobicContact CB-CE1 4.06Å; W168-F214 HydrophobicContact CB-CZ 4.26Å; W168-F214 AromaticContact CD1-CZ 3.84Å; W168-F214 AromaticContact CD2-CE1 3.47Å; W168-F214 HydrophobicContact CD2-CE1 3.47Å; W168-F214 VanDerWaalsContact CD2-CE1 3.47Å; W168-F214 HydrophobicContact CD2-CZ 4.01Å; W168-F214 HydrophobicContact CE3-CD1 4.5Å; W168-F214 AromaticContact CE3-CE1 3.73Å; W168-F214 HydrophobicContact CE3-CE1 3.73Å; W168-F214 AromaticContact CG-CE1 3.59Å; W168-F214 HydrophobicContact CG-CE1 3.59Å; W168-F214 AromaticContact CG-CZ 3.75Å; W168-F214 HydrophobicContact CG-CZ 3.75Å; A169-F214 HydrophobicContact CB-CD1 4.41Å; A169-F214 HydrophobicContact CB-CD2 3.65Å; A169-F214 HydrophobicContact CB-CE1 4.18Å; A169-F214 HydrophobicContact CB-CE2 3.41Å; A169-F214 VanDerWaalsContact CB-CE2 3.41Å; A169-F214 HydrophobicContact CB-CG 4.18Å; A169-F214 HydrophobicContact CB-CZ 3.69Å; F171-F214 HydrophobicContact CZ-CB 3.92Å; F171-F214 HydrophobicContact CZ-CD2 4.34Å; F171-F214 HydrophobicContact CZ-CG 4.19Å; Y198-F214 HydrophobicContact CE2-CD2 4.06Å; Y198-F214 HydrophobicContact CE2-CE2 4.5Å; F214-V216 HydrophobicContact CD1-CG2 4.15Å; F214-V216 HydrophobicContact CE1-CG2 3.78Å; F214-V216 HydrophobicContact CZ-CG2 4.13Å |
| 215 | S | 89.3 | Confident | 83.9 | Confident | 22 Ų | 22 | 52.8 Ų | 52.8 | 15% | 0.154 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 119.3 | 173.3 | 174.8 | 0 | 0 | 0 | 0 | 110.1 | N218 | S215-N218 WeakPolarHBondContact OG-CB 3.32Å; S215-N218 PolarHBondContact OG-N 3.11Å; S215-N218 PolarHBondContact OG-ND2 3Å; S215-N218 VanDerWaalsContact OG-ND2 3.08Å |
| 216 | V | 90.4 | Very high | 84.2 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -80.8 | -46 | -173.8 | 177.7 | 0 | 0 | 0 | 0 | 111.8 | V138 N139 W168 F214 R220 W235 | V138-V216 HydrophobicContact CG1-CG2 4.08Å; V138-V216 WeakPolarHBondContact O-CB 2.92Å; V138-V216 WeakPolarHBondContact O-CG1 3.48Å; N139-V216 WeakPolarHBondContact O-CB 3.47Å; N139-V216 PolarHBondContact O-N 3.22Å; W168-V216 HydrophobicContact CH2-CG1 4.37Å; W168-V216 HydrophobicContact CH2-CG2 3.98Å; W168-V216 HydrophobicContact CZ2-CB 4.2Å; W168-V216 HydrophobicContact CZ2-CG1 3.38Å; W168-V216 HydrophobicContact CZ2-CG2 3.68Å; W168-V216 HydrophobicContact CZ3-CG2 4.46Å; F214-V216 HydrophobicContact CD1-CG2 4.15Å; F214-V216 HydrophobicContact CE1-CG2 3.78Å; F214-V216 HydrophobicContact CZ-CG2 4.13Å; V216-R220 VanDerWaalsContact O-CD 3.25Å; V216-R220 WeakPolarHBondContact O-CD 3.43Å; V216-R220 PolarHBondContact O-NE 2.89Å; V216-W235 PolarHBondContact O-NE1 2.01Å |
| 217 | I | 86.1 | Confident | 84.2 | Confident | 15 Ų | 15 | 46.8 Ų | 46.8 | 8% | 0.077 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -110 | -28.4 | -171.8 | 58.4 | 172.4 | 0 | 0 | 0 | 114.3 | N139 G219 R220 Y223 F226 L232 | N139-I217 HydrophobicContact CB-CD1 4.43Å; N139-I217 VanDerWaalsContact OD1-CD1 3.27Å; N139-I217 WeakPolarHBondContact OD1-CD1 3.05Å; N139-I217 WeakPolarHBondContact OD1-CG1 3.47Å; I217-G219 PolarHBondContact O-N 3.49Å; I217-R220 WeakPolarHBondContact O-CB 3.01Å; I217-R220 PolarHBondContact O-N 3.03Å; I217-Y223 HydrophobicContact CB-CD2 4.09Å; I217-Y223 HydrophobicContact CB-CE2 4.37Å; I217-Y223 HydrophobicContact CD1-CD2 4.05Å; I217-Y223 HydrophobicContact CD1-CE2 3.62Å; I217-Y223 HydrophobicContact CG1-CD2 4.03Å; I217-Y223 HydrophobicContact CG1-CE2 3.79Å; I217-F226 HydrophobicContact CG2-CE2 4.31Å; I217-L232 HydrophobicContact CG2-CD1 4.24Å |
| 218 | N | 81 | Confident | 84.4 | Confident | 44 Ų | 44 | 49.5 Ų | 49.5 | 24% | 0.235 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | 134.3 | -175.8 | -53.8 | -51.3 | 0 | 0 | 0 | 111.2 | S215 R220 Y223 | S215-N218 WeakPolarHBondContact OG-CB 3.32Å; S215-N218 PolarHBondContact OG-N 3.11Å; S215-N218 PolarHBondContact OG-ND2 3Å; S215-N218 VanDerWaalsContact OG-ND2 3.08Å; N218-R220 VanDerWaalsContact C-N 3.32Å; N218-Y223 VanDerWaalsContact OD1-CE2 3.23Å; N218-Y223 WeakPolarHBondContact OD1-CE2 3.32Å; N218-Y223 PolarHBondContact OD1-OH 3.11Å |
| 219 | G | 79.4 | Confident | 84.6 | Confident | 60 Ų | 60 | 47.1 Ų | 47.1 | 62% | 0.619 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 85.8 | -6.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | F189 I217 | F189-G219 WeakPolarHBondContact CD2-O 3.37Å; I217-G219 PolarHBondContact O-N 3.49Å |
| 220 | R | 86.4 | Confident | 84.5 | Confident | 8 Ų | 8 | 46.2 Ų | 46.2 | 3% | 0.03 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -83.2 | 153.2 | 177.6 | -62.7 | -169.2 | 177.8 | -94.5 | -6.9 | 112.2 | F189 P192 E194 V216 I217 N218 L232 W235 | F189-R220 HydrophobicContact CB-CB 4.49Å; F189-R220 HydrophobicContact CB-CG 4.13Å; F189-R220 HydrophobicContact CD1-CG 4.38Å; F189-R220 HydrophobicContact CD2-CG 3.8Å; F189-R220 VanDerWaalsContact CE1-NH2 3.31Å; F189-R220 HydrophobicContact CE2-CG 4.26Å; F189-R220 HydrophobicContact CG-CG 3.85Å; P192-R220 VanDerWaalsContact O-CD 3.25Å; P192-R220 WeakPolarHBondContact O-CD 3.41Å; P192-R220 PolarHBondContact O-NH1 2.98Å; E194-R220 PolarHBondContact O-NH1 2.75Å; E194-R220 PolarHBondContact O-NH2 3.5Å; V216-R220 VanDerWaalsContact O-CD 3.25Å; V216-R220 WeakPolarHBondContact O-CD 3.43Å; V216-R220 PolarHBondContact O-NE 2.89Å; I217-R220 WeakPolarHBondContact O-CB 3.01Å; I217-R220 PolarHBondContact O-N 3.03Å; N218-R220 VanDerWaalsContact C-N 3.32Å; R220-L232 HydrophobicContact CB-CD1 4.12Å; R220-W235 VanDerWaalsContact NE-NE1 3.11Å; R220-W235 VanDerWaalsContact NH2-CZ2 3.33Å |
| 221 | P | 83.3 | Confident | 84.4 | Confident | 38 Ų | 38 | 51.7 Ų | 51.7 | 25% | 0.247 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | 147.2 | 176.4 | -23.6 | 33.3 | 0 | 0 | 0 | 112.2 | F189 Y223 | F189-P221 WeakPolarHBondContact O-CD 3.24Å; F189-P221 WeakPolarHBondContact O-CG 3.12Å; P221-Y223 PolarHBondContact O-N 2.85Å |
| 222 | N | 80.1 | Confident | 84.3 | Confident | 55 Ų | 55 | 47.5 Ų | 47.5 | 29% | 0.294 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60 | 18.7 | 176.8 | -54.8 | -39.6 | 0 | 0 | 0 | 115.7 | D224 R225 F226 D229 | N222-D224 WeakPolarHBondContact CA-OD1 3.5Å; N222-D224 PolarHBondContact O-N 2.79Å; N222-R225 CarbonylContact O-C 3.6Å; N222-R225 VanDerWaalsContact O-C 3.28Å; N222-R225 WeakPolarHBondContact O-CA 3.03Å; N222-R225 PolarHBondContact O-N 3.07Å; N222-R225 PolarHBondContact OD1-NH2 2.98Å; N222-F226 PolarHBondContact O-N 3.27Å; N222-D229 HydrophobicContact CB-CB 4.29Å; N222-D229 VanDerWaalsContact CB-OD2 3.3Å; N222-D229 WeakPolarHBondContact CB-OD2 3.24Å; N222-D229 PolarHBondContact ND2-OD2 3.5Å |
| 223 | Y | 79.6 | Confident | 84.1 | Confident | 72 Ų | 72 | 48.4 Ų | 48.4 | 28% | 0.282 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -52 | -38.3 | 173.6 | 169.5 | -93.1 | 0 | 0 | 0 | 112.9 | P23 I217 N218 P221 R225 F226 | P23-Y223 WeakPolarHBondContact CB-OH 3.44Å; P23-Y223 WeakPolarHBondContact CG-OH 3.37Å; I217-Y223 HydrophobicContact CB-CD2 4.09Å; I217-Y223 HydrophobicContact CB-CE2 4.37Å; I217-Y223 HydrophobicContact CD1-CD2 4.05Å; I217-Y223 HydrophobicContact CD1-CE2 3.62Å; I217-Y223 HydrophobicContact CG1-CD2 4.03Å; I217-Y223 HydrophobicContact CG1-CE2 3.79Å; N218-Y223 VanDerWaalsContact OD1-CE2 3.23Å; N218-Y223 WeakPolarHBondContact OD1-CE2 3.32Å; N218-Y223 PolarHBondContact OD1-OH 3.11Å; P221-Y223 PolarHBondContact O-N 2.85Å; Y223-R225 PolarHBondContact O-N 3.39Å; Y223-F226 PolarHBondContact O-N 2.72Å |
| 224 | D | 74.9 | Confident | 84 | Confident | 129 Ų | 129 | 54.3 Ų | 54.3 | 69% | 0.69 | 28% | 0.28 | S | S | * | . | G | 310 helix | trans | -65.8 | -18.8 | 175.5 | 62.4 | -48 | 0 | 0 | 0 | 114 | N222 | N222-D224 WeakPolarHBondContact CA-OD1 3.5Å; N222-D224 PolarHBondContact O-N 2.79Å |
| 225 | R | 77.4 | Confident | 84 | Confident | 141 Ų | 141 | 55.3 Ų | 55.3 | 53% | 0.532 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -120.7 | 30.9 | 178.8 | -62.3 | -176 | -65.4 | 169 | 2.9 | 112 | N222 Y223 F227 N228 D229 | N222-R225 CarbonylContact O-C 3.6Å; N222-R225 VanDerWaalsContact O-C 3.28Å; N222-R225 WeakPolarHBondContact O-CA 3.03Å; N222-R225 PolarHBondContact O-N 3.07Å; N222-R225 PolarHBondContact OD1-NH2 2.98Å; Y223-R225 PolarHBondContact O-N 3.39Å; R225-F227 VanDerWaalsContact C-N 3.25Å; R225-F227 PolarHBondContact O-N 3.32Å; R225-F227 VanDerWaalsContact O-N 3.09Å; R225-N228 PolarHBondContact O-N 3.49Å; R225-D229 PolarHBondContact O-N 2.88Å |
| 226 | F | 83.6 | Confident | 84.1 | Confident | 27 Ų | 27 | 54.3 Ų | 54.3 | 12% | 0.118 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -44.8 | -45.9 | -176.5 | 176.9 | -99.8 | 0 | 0 | 0 | 113.8 | H137 I217 N222 Y223 N228 D229 L232 Q233 S236 | H137-F226 HydrophobicContact CB-CZ 4.26Å; H137-F226 AromaticContact CD2-CE1 3.98Å; H137-F226 AromaticContact CD2-CZ 4Å; H137-F226 AromaticContact CE1-CZ 3.9Å; H137-F226 AromaticContact CG-CZ 3.81Å; H137-F226 AromaticContact ND1-CZ 3.76Å; I217-F226 HydrophobicContact CG2-CE2 4.31Å; N222-F226 PolarHBondContact O-N 3.27Å; Y223-F226 PolarHBondContact O-N 2.72Å; F226-N228 PolarHBondContact O-N 2.99Å; F226-D229 PolarHBondContact O-N 2.81Å; F226-L232 HydrophobicContact CD2-CD2 3.82Å; F226-L232 HydrophobicContact CD2-CG 3.89Å; F226-L232 HydrophobicContact CE2-CG 4.25Å; F226-Q233 HydrophobicContact CD1-CG 4.46Å; F226-Q233 HydrophobicContact CE1-CG 4.02Å; F226-Q233 HydrophobicContact CE2-CG 4.08Å; F226-Q233 HydrophobicContact CZ-CG 3.81Å; F226-Q233 WeakPolarHBondContact O-CG 3.19Å; F226-Q233 PolarHBondContact O-NE2 2.71Å; F226-S236 WeakPolarHBondContact CE2-OG 3.05Å; F226-S236 WeakPolarHBondContact CZ-OG 3.23Å |
| 227 | F | 80.6 | Confident | 84.3 | Confident | 27 Ų | 27 | 54.5 Ų | 54.5 | 12% | 0.118 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -68 | -16 | -177.6 | -60.9 | -66.7 | 0 | 0 | 0 | 115.1 | V29 M42 Y44 R225 Q233 P331 | V29-F227 HydrophobicContact CG2-CE2 4Å; V29-F227 HydrophobicContact CG2-CZ 4.39Å; M42-F227 HydrophobicContact CE-CB 3.96Å; M42-F227 HydrophobicContact CE-CD1 3.11Å; M42-F227 HydrophobicContact CE-CD2 3.73Å; M42-F227 HydrophobicContact CE-CE1 3.31Å; M42-F227 HydrophobicContact CE-CE2 3.92Å; M42-F227 HydrophobicContact CE-CG 3.32Å; M42-F227 HydrophobicContact CE-CZ 3.71Å; Y44-F227 HydrophobicContact CD1-CE1 4.44Å; Y44-F227 HydrophobicContact CD2-CE1 4.04Å; Y44-F227 HydrophobicContact CE1-CE1 4.1Å; Y44-F227 AromaticContact CE2-CD1 3.96Å; Y44-F227 HydrophobicContact CE2-CD1 3.96Å; Y44-F227 AromaticContact CE2-CE1 3.72Å; Y44-F227 HydrophobicContact CE2-CE1 3.72Å; Y44-F227 HydrophobicContact CG-CE1 4.39Å; Y44-F227 AromaticContact CZ-CD1 3.89Å; Y44-F227 AromaticContact CZ-CE1 3.71Å; R225-F227 VanDerWaalsContact C-N 3.25Å; R225-F227 PolarHBondContact O-N 3.32Å; R225-F227 VanDerWaalsContact O-N 3.09Å; F227-Q233 VanDerWaalsContact CA-NE2 3.29Å; F227-Q233 PolarHBondContact O-NE2 3.12Å; F227-P331 HydrophobicContact CB-CG 4.31Å; F227-P331 HydrophobicContact CD2-CG 4.26Å |
| 228 | N | 79.9 | Confident | 84.6 | Confident | 85 Ų | 85 | 53.8 Ų | 53.8 | 46% | 0.455 | 28% | 0.275 | S | S | . | . | G | 310 helix | trans | -103.6 | -13.3 | 179.6 | -63.3 | 7.5 | 0 | 0 | 0 | 112 | R225 F226 Q332 | R225-N228 PolarHBondContact O-N 3.49Å; F226-N228 PolarHBondContact O-N 2.99Å; N228-Q332 PolarHBondContact ND2-OE1 2.99Å |
| 229 | D | 85.4 | Confident | 85.1 | Confident | 22 Ų | 22 | 51.7 Ų | 51.7 | 12% | 0.118 | 26% | 0.264 | C | S | . | . | trans | -100.6 | 102.1 | -177.1 | -167.2 | -47.4 | 0 | 0 | 0 | 111.2 | N222 R225 F226 D231 L232 Q233 | N222-D229 HydrophobicContact CB-CB 4.29Å; N222-D229 VanDerWaalsContact CB-OD2 3.3Å; N222-D229 WeakPolarHBondContact CB-OD2 3.24Å; N222-D229 PolarHBondContact ND2-OD2 3.5Å; R225-D229 PolarHBondContact O-N 2.88Å; F226-D229 PolarHBondContact O-N 2.81Å; D229-D231 VanDerWaalsContact C-N 3.31Å; D229-D231 PolarHBondContact O-N 3.33Å; D229-D231 PolarHBondContact OD1-N 2.91Å; D229-L232 HydrophobicContact CB-CB 4.1Å; D229-L232 PolarHBondContact OD1-N 2.68Å; D229-Q233 WeakPolarHBondContact O-CG 3.21Å; D229-Q233 PolarHBondContact O-N 3.23Å | ||
| 230 | V | 82.9 | Confident | 85.8 | Confident | 100 Ų | 100 | 50 Ų | 50 | 61% | 0.606 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -66.1 | -33.7 | -177.8 | 179.1 | 0 | 0 | 0 | 0 | 111.8 | R234 | V230-R234 VanDerWaalsContact O-CB 3.28Å; V230-R234 WeakPolarHBondContact O-CB 3.47Å; V230-R234 PolarHBondContact O-N 2.86Å |
| 231 | D | 86.5 | Confident | 86.3 | Confident | 115 Ų | 115 | 49.7 Ų | 49.7 | 62% | 0.615 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -70.8 | -43 | -178.1 | -66.4 | -38.4 | 0 | 0 | 0 | 110.5 | P192 D229 R234 W235 | P192-D231 HydrophobicContact CG-CB 4.34Å; D229-D231 VanDerWaalsContact C-N 3.31Å; D229-D231 PolarHBondContact O-N 3.33Å; D229-D231 PolarHBondContact OD1-N 2.91Å; D231-R234 PolarHBondContact O-N 3.29Å; D231-W235 WeakPolarHBondContact O-CB 3.29Å; D231-W235 PolarHBondContact O-N 2.9Å |
| 232 | L | 88.6 | Confident | 86.9 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -67.8 | -39.4 | 175.1 | -175 | 62.3 | 0 | 0 | 0 | 112.1 | P192 I217 R220 F226 D229 W235 S236 | P192-L232 HydrophobicContact CB-CB 4.17Å; P192-L232 HydrophobicContact CB-CD1 4.06Å; I217-L232 HydrophobicContact CG2-CD1 4.24Å; R220-L232 HydrophobicContact CB-CD1 4.12Å; F226-L232 HydrophobicContact CD2-CD2 3.82Å; F226-L232 HydrophobicContact CD2-CG 3.89Å; F226-L232 HydrophobicContact CE2-CG 4.25Å; D229-L232 HydrophobicContact CB-CB 4.1Å; D229-L232 PolarHBondContact OD1-N 2.68Å; L232-W235 WeakPolarHBondContact O-CB 3.49Å; L232-W235 PolarHBondContact O-N 3.4Å; L232-S236 PolarHBondContact O-N 3.04Å; L232-S236 PolarHBondContact O-OG 3.35Å |
| 233 | Q | 88.3 | Confident | 87.6 | Confident | 20 Ų | 20 | 46.3 Ų | 46.3 | 9% | 0.093 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -58.2 | -52.1 | 172.6 | -79.7 | 176.1 | 40.7 | 0 | 0 | 110.8 | F226 F227 D229 W235 S236 T237 | F226-Q233 HydrophobicContact CD1-CG 4.46Å; F226-Q233 HydrophobicContact CE1-CG 4.02Å; F226-Q233 HydrophobicContact CE2-CG 4.08Å; F226-Q233 HydrophobicContact CZ-CG 3.81Å; F226-Q233 WeakPolarHBondContact O-CG 3.19Å; F226-Q233 PolarHBondContact O-NE2 2.71Å; F227-Q233 VanDerWaalsContact CA-NE2 3.29Å; F227-Q233 PolarHBondContact O-NE2 3.12Å; D229-Q233 WeakPolarHBondContact O-CG 3.21Å; D229-Q233 PolarHBondContact O-N 3.23Å; Q233-W235 VanDerWaalsContact C-N 3.26Å; Q233-W235 PolarHBondContact O-N 3.09Å; Q233-S236 PolarHBondContact O-N 3.42Å; Q233-S236 PolarHBondContact O-OG 2.92Å; Q233-T237 PolarHBondContact O-N 3.46Å; Q233-T237 PolarHBondContact O-OG1 3.18Å |
| 234 | R | 89 | Confident | 88.4 | Confident | 160 Ų | 160 | 44.2 Ų | 44.2 | 60% | 0.604 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -60 | -35.7 | 177.9 | -171.1 | 174.3 | -171.4 | 163.8 | 3.4 | 112.5 | K157 F159 V230 D231 | K157-R234 PolarHBondContact NZ-O 3.26Å; F159-R234 HydrophobicContact CD2-CG 4Å; F159-R234 HydrophobicContact CE2-CB 4.46Å; F159-R234 HydrophobicContact CE2-CG 3.78Å; V230-R234 VanDerWaalsContact O-CB 3.28Å; V230-R234 WeakPolarHBondContact O-CB 3.47Å; V230-R234 PolarHBondContact O-N 2.86Å; D231-R234 PolarHBondContact O-N 3.29Å |
| 235 | W | 91 | Very high | 89.3 | Confident | 21 Ų | 21 | 38 Ų | 38 | 8% | 0.08 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -66 | -40.9 | 173.4 | 174.8 | -104.7 | 0 | 0 | 0 | 112.9 | K157 W168 P192 D193 L195 V216 R220 D231 L232 Q233 T237 | K157-W235 VanDerWaalsContact NZ-C 3.34Å; K157-W235 PolarHBondContact NZ-O 3Å; W168-W235 AromaticContact CD1-CE2 3.68Å; W168-W235 AromaticContact CD1-CH2 3.5Å; W168-W235 VanDerWaalsContact CD1-CH2 3.5Å; W168-W235 AromaticContact CD1-CZ2 3.29Å; W168-W235 AromaticContact CD1-CZ3 4Å; W168-W235 AromaticContact NE1-CD2 3.93Å; W168-W235 AromaticContact NE1-CE2 3.5Å; W168-W235 AromaticContact NE1-CZ2 3.64Å; W168-W235 AromaticContact NE1-NE1 3.77Å; W168-W235 PolarHBondContact NE1-O 3.46Å; P192-W235 VanDerWaalsContact O-CD1 3.31Å; P192-W235 VanDerWaalsContact O-CG 3.26Å; P192-W235 PolarHBondContact O-NE1 3.31Å; D193-W235 HydrophobicContact CB-CE3 3.91Å; D193-W235 HydrophobicContact CB-CZ3 4.22Å; L195-W235 HydrophobicContact CD2-CH2 4.12Å; V216-W235 PolarHBondContact O-NE1 2.01Å; R220-W235 VanDerWaalsContact NE-NE1 3.11Å; R220-W235 VanDerWaalsContact NH2-CZ2 3.33Å; D231-W235 WeakPolarHBondContact O-CB 3.29Å; D231-W235 PolarHBondContact O-N 2.9Å; L232-W235 WeakPolarHBondContact O-CB 3.49Å; L232-W235 PolarHBondContact O-N 3.4Å; Q233-W235 VanDerWaalsContact C-N 3.26Å; Q233-W235 PolarHBondContact O-N 3.09Å; W235-T237 VanDerWaalsContact C-N 3.34Å |
| 236 | S | 92.2 | Very high | 89.9 | Confident | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.007 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -75 | -21.7 | 177.9 | 73.7 | 0 | 0 | 0 | 0 | 114 | H137 V138 F226 L232 Q233 | H137-S236 PolarHBondContact ND1-OG 2.85Å; V138-S236 PolarHBondContact N-O 3.31Å; F226-S236 WeakPolarHBondContact CE2-OG 3.05Å; F226-S236 WeakPolarHBondContact CZ-OG 3.23Å; L232-S236 PolarHBondContact O-N 3.04Å; L232-S236 PolarHBondContact O-OG 3.35Å; Q233-S236 PolarHBondContact O-N 3.42Å; Q233-S236 PolarHBondContact O-OG 2.92Å |
| 237 | T | 93.4 | Very high | 90 | Very high | 4 Ų | 4 | 36 Ų | 36 | 3% | 0.025 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 129.8 | -175.8 | -60.1 | 0 | 0 | 0 | 0 | 112.5 | Q135 F136 H137 K157 F159 Q233 W235 L279 | Q135-T237 HydrophobicContact CB-CG2 3.91Å; Q135-T237 HydrophobicContact CG-CG2 4.3Å; F136-T237 CarbonylContact O-C 3.46Å; F136-T237 VanDerWaalsContact O-CA 3.26Å; F136-T237 WeakPolarHBondContact O-CA 3.36Å; H137-T237 PolarHBondContact CE1-OG1 3.2Å; H137-T237 PolarHBondContact ND1-OG1 2.94Å; H137-T237 VanDerWaalsContact ND1-OG1 3.17Å; K157-T237 PolarHBondContact NZ-O 3.12Å; F159-T237 HydrophobicContact CD2-CG2 3.83Å; F159-T237 HydrophobicContact CE2-CG2 3.66Å; F159-T237 HydrophobicContact CZ-CG2 4.47Å; Q233-T237 PolarHBondContact O-N 3.46Å; Q233-T237 PolarHBondContact O-OG1 3.18Å; W235-T237 VanDerWaalsContact C-N 3.34Å; T237-L279 HydrophobicContact CG2-CD2 3.92Å |
| 238 | A | 94.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 140.5 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | L132 F136 V138 K157 R158 W168 I241 | L132-A238 HydrophobicContact CD1-CB 4.37Å; L132-A238 WeakPolarHBondContact CD1-O 3.08Å; F136-A238 PolarHBondContact N-O 3.14Å; F136-A238 PolarHBondContact O-N 3.36Å; V138-A238 HydrophobicContact CG2-CB 4.15Å; K157-A238 HydrophobicContact CB-CB 4.05Å; K157-A238 HydrophobicContact CD-CB 4.41Å; R158-A238 CarbonylContact O-C 3.21Å; R158-A238 VanDerWaalsContact O-CA 3.24Å; R158-A238 WeakPolarHBondContact O-CA 3.36Å; W168-A238 HydrophobicContact CH2-CB 3.85Å; W168-A238 HydrophobicContact CZ3-CB 4.16Å; A238-I241 HydrophobicContact CB-CG1 4.29Å |
| 239 | S | 91.7 | Very high | 90.3 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.007 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | -27.9 | 165.9 | 75.1 | 0 | 0 | 0 | 0 | 112.5 | L132 T134 R158 D160 D161 | L132-S239 WeakPolarHBondContact CB-O 3.2Å; L132-S239 WeakPolarHBondContact CG-O 3.49Å; L132-S239 PolarHBondContact N-O 3.37Å; T134-S239 WeakPolarHBondContact O-CA 3.39Å; R158-S239 PolarHBondContact O-N 2.94Å; D160-S239 WeakPolarHBondContact CA-OG 3.35Å; D161-S239 PolarHBondContact N-OG 2.76Å; D161-S239 PolarHBondContact OD1-OG 2.99Å |
| 240 | Q | 93.7 | Very high | 89.6 | Confident | 25 Ų | 25 | 33.7 Ų | 33.7 | 12% | 0.117 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 147.1 | 178.2 | -55.2 | -173.3 | -21.4 | 0 | 0 | 110 | I130 D131 K157 R158 W165 | I130-Q240 WeakPolarHBondContact O-CA 3.16Å; D131-Q240 PolarHBondContact OD2-NE2 3.12Å; K157-Q240 WeakPolarHBondContact CA-O 3.44Å; R158-Q240 HydrophobicContact CB-CB 4.24Å; R158-Q240 HydrophobicContact CG-CB 4.44Å; R158-Q240 PolarHBondContact N-O 3.15Å; R158-Q240 VanDerWaalsContact NH1-OE1 3.12Å; W165-Q240 HydrophobicContact CH2-CB 3.66Å; W165-Q240 HydrophobicContact CZ2-CB 4.39Å; W165-Q240 HydrophobicContact CZ3-CB 4.28Å |
| 241 | I | 95.6 | Very high | 88.6 | Confident | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 136 | 176.8 | -59.8 | 171 | 0 | 0 | 0 | 108.1 | T129 I130 L132 V138 V141 I155 H156 W168 A238 I243 V274 | T129-I241 WeakPolarHBondContact CA-O 3.47Å; I130-I241 HydrophobicContact CG2-CB 3.71Å; I130-I241 PolarHBondContact N-O 3.36Å; I130-I241 PolarHBondContact O-N 2.93Å; L132-I241 HydrophobicContact CD1-CD1 4.18Å; L132-I241 HydrophobicContact CD1-CG1 4.31Å; L132-I241 HydrophobicContact CD2-CD1 4.47Å; V138-I241 HydrophobicContact CG2-CD1 4.49Å; V141-I241 HydrophobicContact CG2-CD1 4.13Å; I155-I241 HydrophobicContact CG2-CG2 3.9Å; H156-I241 WeakPolarHBondContact O-CA 3.41Å; W168-I241 HydrophobicContact CZ3-CD1 4.02Å; W168-I241 HydrophobicContact CZ3-CG1 4.11Å; A238-I241 HydrophobicContact CB-CG1 4.29Å; I241-I243 HydrophobicContact CG2-CG1 4.34Å; I241-V274 HydrophobicContact CD1-CG1 3.72Å; I241-V274 HydrophobicContact CD1-CG2 3.94Å |
| 242 | L | 96.2 | Very high | 87.3 | Confident | 19 Ų | 19 | 33 Ų | 33 | 10% | 0.099 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 120.3 | 176.5 | 164 | 67.5 | 0 | 0 | 0 | 108.6 | N127 L128 H156 W165 | N127-L242 HydrophobicContact CB-CD1 3.63Å; L128-L242 CarbonylContact O-C 3.5Å; L128-L242 WeakPolarHBondContact O-CA 3.41Å; H156-L242 HydrophobicContact CB-CB 4.14Å; H156-L242 HydrophobicContact CB-CD2 4.43Å; H156-L242 HydrophobicContact CB-CG 4.49Å; H156-L242 PolarHBondContact N-O 2.72Å; H156-L242 PolarHBondContact O-N 3.4Å; W165-L242 HydrophobicContact CD2-CB 4.11Å; W165-L242 HydrophobicContact CD2-CD2 3.97Å; W165-L242 HydrophobicContact CE3-CB 3.53Å; W165-L242 HydrophobicContact CE3-CD2 4.14Å; W165-L242 HydrophobicContact CE3-CG 4.48Å; W165-L242 HydrophobicContact CG-CD2 4.37Å; W165-L242 HydrophobicContact CH2-CB 3.46Å; W165-L242 VanDerWaalsContact CH2-CB 3.46Å; W165-L242 HydrophobicContact CZ2-CB 4.01Å; W165-L242 HydrophobicContact CZ3-CB 3.2Å; W165-L242 HydrophobicContact CZ3-CG 4.49Å; W165-L242 VanDerWaalsContact CZ3-N 3.31Å |
| 243 | I | 96.1 | Very high | 85.8 | Confident | 2 Ų | 2 | 35.6 Ų | 35.6 | 1% | 0.01 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 108 | 174 | -55.4 | 163.8 | 0 | 0 | 0 | 107 | L128 L143 I155 I241 L245 L272 | L128-I243 HydrophobicContact CB-CB 4.24Å; L128-I243 PolarHBondContact N-O 2.91Å; L128-I243 PolarHBondContact O-N 3.07Å; L143-I243 HydrophobicContact CD1-CD1 4.16Å; L143-I243 HydrophobicContact CD1-CG2 4.34Å; L143-I243 HydrophobicContact CD2-CD1 3.8Å; L143-I243 HydrophobicContact CG-CD1 4.49Å; I155-I243 HydrophobicContact CG1-CG1 4.38Å; I241-I243 HydrophobicContact CG2-CG1 4.34Å; I243-L245 HydrophobicContact CG2-CD2 3.86Å; I243-L245 HydrophobicContact CG2-CG 4.45Å; I243-L272 HydrophobicContact CD1-CD1 3.99Å |
| 244 | E | 95.3 | Very high | 84.2 | Confident | 28 Ų | 28 | 37 Ų | 37 | 13% | 0.131 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 106.7 | 176.6 | -178.1 | -171.5 | -166.2 | 0 | 0 | 109.2 | S125 N127 M153 V154 H156 K246 | S125-E244 PolarHBondContact OG-OE1 3.24Å; N127-E244 WeakPolarHBondContact OD1-CG 3.18Å; M153-E244 CarbonylContact C-O 3.21Å; M153-E244 WeakPolarHBondContact CA-O 3.16Å; M153-E244 VanDerWaalsContact CB-O 3.3Å; M153-E244 WeakPolarHBondContact CB-O 3.23Å; V154-E244 HydrophobicContact CB-CB 4.46Å; V154-E244 PolarHBondContact N-O 2.9Å; V154-E244 PolarHBondContact O-N 3.35Å; H156-E244 IonicContact CE1-OE2 3.61Å; E244-K246 HydrophobicContact CG-CD 4.34Å; E244-K246 HydrophobicContact CG-CG 3.64Å; E244-K246 PolarHBondContact O-N 3.29Å; E244-K246 IonicContact OE1-NZ 3.98Å; E244-K246 PolarHBondContact OE1-NZ 2.65Å; E244-K246 IonicContact OE2-NZ 2.83Å; E244-K246 PolarHBondContact OE2-NZ 2.96Å; E244-K246 VanDerWaalsContact OE2-NZ 3.1Å |
| 245 | L | 93.8 | Very high | 82.7 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 98.2 | 174.4 | -51 | 174 | 0 | 0 | 0 | 109 | W109 S125 V126 L128 F145 P150 M153 I243 F267 I269 | W109-L245 HydrophobicContact CH2-CD1 3.82Å; W109-L245 HydrophobicContact CZ3-CD1 3.9Å; S125-L245 WeakPolarHBondContact CA-O 3.05Å; S125-L245 WeakPolarHBondContact CB-O 3.33Å; V126-L245 HydrophobicContact CB-CB 4.24Å; V126-L245 HydrophobicContact CB-CD1 4.37Å; V126-L245 HydrophobicContact CG1-CD1 4.45Å; V126-L245 PolarHBondContact N-O 3.24Å; V126-L245 WeakPolarHBondContact O-CB 3.46Å; V126-L245 PolarHBondContact O-N 3.4Å; L128-L245 HydrophobicContact CD1-CD1 4.14Å; F145-L245 HydrophobicContact CE1-CD2 4.29Å; F145-L245 HydrophobicContact CZ-CD2 4.18Å; P150-L245 HydrophobicContact CG-CD2 3.77Å; M153-L245 HydrophobicContact CB-CD2 4.16Å; M153-L245 HydrophobicContact SD-CD2 4.21Å; I243-L245 HydrophobicContact CG2-CD2 3.86Å; I243-L245 HydrophobicContact CG2-CG 4.45Å; L245-F267 HydrophobicContact CB-CD2 3.76Å; L245-F267 HydrophobicContact CB-CE1 4.31Å; L245-F267 HydrophobicContact CB-CE2 3.39Å; L245-F267 HydrophobicContact CB-CG 4.36Å; L245-F267 HydrophobicContact CB-CZ 3.72Å; L245-F267 HydrophobicContact CD1-CB 3.92Å; L245-F267 HydrophobicContact CD1-CD1 4.3Å; L245-F267 HydrophobicContact CD1-CD2 3.69Å; L245-F267 HydrophobicContact CD1-CE2 4.23Å; L245-F267 HydrophobicContact CD1-CG 3.74Å; L245-F267 HydrophobicContact CG-CD2 4.38Å; L245-F267 HydrophobicContact CG-CE2 4.44Å; L245-I269 HydrophobicContact CD1-CD1 4.43Å |
| 246 | K | 89.2 | Confident | 81.2 | Confident | 59 Ų | 59 | 43.4 Ų | 43.4 | 26% | 0.257 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | -46.9 | -168.7 | -59.7 | -169.9 | 77.5 | 116.4 | 0 | 113.5 | A152 V154 Y178 F179 E244 | A152-K246 HydrophobicContact CB-CB 4.32Å; A152-K246 WeakPolarHBondContact O-CB 3.46Å; A152-K246 PolarHBondContact O-N 3.05Å; V154-K246 HydrophobicContact CG2-CD 3.89Å; Y178-K246 HydrophobicContact CE1-CB 4.4Å; Y178-K246 HydrophobicContact CE1-CD 4.11Å; F179-K246 HydrophobicContact CE1-CD 4.11Å; F179-K246 HydrophobicContact CZ-CD 4.1Å; E244-K246 HydrophobicContact CG-CD 4.34Å; E244-K246 HydrophobicContact CG-CG 3.64Å; E244-K246 PolarHBondContact O-N 3.29Å; E244-K246 IonicContact OE1-NZ 3.98Å; E244-K246 PolarHBondContact OE1-NZ 2.65Å; E244-K246 IonicContact OE2-NZ 2.83Å; E244-K246 PolarHBondContact OE2-NZ 2.96Å; E244-K246 VanDerWaalsContact OE2-NZ 3.1Å |
| 247 | K | 87.4 | Confident | 79.9 | Confident | 67 Ų | 67 | 44.2 Ų | 44.2 | 29% | 0.291 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 137.6 | -171.2 | -173.1 | 169.9 | 176.5 | -172.8 | 0 | 112 | P150 H151 A152 Y178 | P150-K247 CarbonylContact C-O 3.58Å; H151-K247 HydrophobicContact CB-CG 4.33Å; H151-K247 PolarHBondContact N-O 2.69Å; A152-K247 HydrophobicContact CB-CB 4.13Å; A152-K247 PolarHBondContact N-O 3.43Å; A152-K247 VanDerWaalsContact N-O 3.11Å; A152-K247 PolarHBondContact O-N 3.16Å; A152-K247 VanDerWaalsContact O-N 3.09Å; Y178-K247 HydrophobicContact CE2-CB 4.24Å; Y178-K247 HydrophobicContact CE2-CD 3.79Å |
| 248 | M | 84.6 | Confident | 78.8 | Confident | 9 Ų | 9 | 51.1 Ų | 51.1 | 4% | 0.044 | 27% | 0.269 | C | S | . | . | trans | -89 | 163.3 | 169.5 | -98.7 | -165.1 | -90.4 | 0 | 0 | 112.2 | H121 H151 Y266 F267 | H121-M248 WeakPolarHBondContact CE1-CE 3.48Å; H121-M248 WeakPolarHBondContact NE2-CE 3.49Å; H151-M248 WeakPolarHBondContact CB-O 2.89Å; M248-Y266 VanDerWaalsContact CE-N 3.27Å; M248-Y266 VanDerWaalsContact SD-O 3.41Å; M248-F267 HydrophobicContact CB-CE1 4.36Å; M248-F267 HydrophobicContact CB-CZ 4.47Å; M248-F267 HydrophobicContact CE-CD1 4.31Å; M248-F267 HydrophobicContact CE-CD2 4.45Å; M248-F267 HydrophobicContact CE-CE1 4.36Å; M248-F267 HydrophobicContact CE-CG 4.35Å; M248-F267 HydrophobicContact CE-CZ 4.44Å; M248-F267 HydrophobicContact CG-CD1 3.8Å; M248-F267 HydrophobicContact CG-CE1 3.23Å; M248-F267 HydrophobicContact CG-CZ 3.66Å; M248-F267 HydrophobicContact SD-CD1 4.27Å; M248-F267 HydrophobicContact SD-CE1 4.27Å | ||
| 249 | H | 81.1 | Confident | 77.9 | Confident | 38 Ų | 38 | 59.3 Ų | 59.3 | 18% | 0.176 | 30% | 0.3 | C | S | . | . | trans | -72.9 | 128.7 | 163.4 | -69 | -76.2 | 0 | 0 | 0 | 109.6 | R149 H151 S202 L204 Y265 | R149-H249 PolarHBondContact O-CD2 3.19Å; H151-H249 AromaticContact ND1-CE1 3.63Å; H151-H249 AromaticContact ND1-ND1 3.65Å; S202-H249 PolarHBondContact O-CE1 2.97Å; S202-H249 VanDerWaalsContact O-CE1 3.25Å; S202-H249 PolarHBondContact O-NE2 2.89Å; L204-H249 HydrophobicContact CD1-CB 3.72Å; H249-Y265 WeakPolarHBondContact O-CE1 3.31Å | ||
| 250 | T | 71.1 | Confident | 77.2 | Confident | 37 Ų | 37 | 63.5 Ų | 63.5 | 23% | 0.227 | 32% | 0.322 | C | S | . | . | trans | -130 | 155 | 174 | 57.2 | 0 | 0 | 0 | 0 | 107.9 | G252 E254 Y265 | T250-G252 PolarHBondContact O-N 2.92Å; T250-E254 WeakPolarHBondContact CB-OE2 3.41Å; T250-E254 WeakPolarHBondContact CG2-OE2 3.08Å; T250-E254 PolarHBondContact OG1-OE2 3.06Å; T250-Y265 HydrophobicContact CG2-CE1 4.24Å | ||
| 251 | F | 62.8 | Low | 76.4 | Confident | 144 Ų | 144 | 64.5 Ų | 64.5 | 63% | 0.632 | 33% | 0.33 | S | S | * | . | trans | -79.6 | 11 | 175.3 | -65.5 | -80 | 0 | 0 | 0 | 112.6 | H73 D253 | H73-F251 AromaticContact CE1-CE2 3.82Å; H73-F251 AromaticContact NE2-CE2 3.47Å; H73-F251 WeakPolarHBondContact NE2-CE2 3.3Å; F251-D253 VanDerWaalsContact C-N 3.27Å; F251-D253 PolarHBondContact N-OD1 3.01Å | ||
| 252 | G | 58.9 | Low | 75.7 | Confident | 57 Ų | 57 | 65.4 Ų | 65.4 | 59% | 0.588 | 34% | 0.335 | S | S | * | . | S | Bend | trans | 77.1 | 9 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | T250 | T250-G252 PolarHBondContact O-N 2.92Š|
| 253 | D | 55.6 | Low | 75.3 | Confident | 54 Ų | 54 | 64.9 Ų | 64.9 | 29% | 0.289 | 33% | 0.332 | S | S | . | . | trans | -91.8 | -10.8 | -176 | 60.1 | -26.7 | 0 | 0 | 0 | 114.2 | F251 R255 A257 T261 Y265 | F251-D253 VanDerWaalsContact C-N 3.27Å; F251-D253 PolarHBondContact N-OD1 3.01Å; D253-R255 VanDerWaalsContact C-N 3.27Å; D253-R255 CarbonylContact O-C 3.59Å; D253-R255 PolarHBondContact O-N 3.2Å; D253-R255 VanDerWaalsContact O-N 3.07Å; D253-A257 WeakPolarHBondContact O-CA 3.32Å; D253-A257 WeakPolarHBondContact O-CB 3.24Å; D253-A257 PolarHBondContact O-N 2.85Å; D253-T261 WeakPolarHBondContact OD2-CG2 3.3Å; D253-Y265 PolarHBondContact OD1-OH 3.31Å | ||
| 254 | E | 55.2 | Low | 74.7 | Confident | 49 Ų | 49 | 65.7 Ų | 65.7 | 23% | 0.229 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -37.8 | -42.3 | 174.4 | 58.9 | -152.9 | -149.5 | 0 | 0 | 116.8 | F122 T250 G256 | F122-E254 HydrophobicContact CE1-CG 4.01Å; F122-E254 WeakPolarHBondContact CE1-OE1 3.22Å; F122-E254 HydrophobicContact CE2-CB 4.03Å; F122-E254 HydrophobicContact CE2-CG 4.43Å; F122-E254 HydrophobicContact CZ-CB 3.51Å; F122-E254 HydrophobicContact CZ-CG 3.44Å; F122-E254 VanDerWaalsContact CZ-CG 3.44Å; T250-E254 WeakPolarHBondContact CB-OE2 3.41Å; T250-E254 WeakPolarHBondContact CG2-OE2 3.08Å; T250-E254 PolarHBondContact OG1-OE2 3.06Å; E254-G256 PolarHBondContact O-N 3.07Å; E254-G256 VanDerWaalsContact O-N 3.1Å |
| 255 | R | 57 | Low | 74.2 | Confident | 239 Ų | 239 | 64.8 Ų | 64.8 | 90% | 0.902 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | 89.8 | 171.3 | -95.2 | -172.1 | -172.1 | 172.9 | 5 | 109.5 | D253 | D253-R255 VanDerWaalsContact C-N 3.27Å; D253-R255 CarbonylContact O-C 3.59Å; D253-R255 PolarHBondContact O-N 3.2Å; D253-R255 VanDerWaalsContact O-N 3.07Å |
| 256 | G | 61 | Low | 74 | Confident | 77 Ų | 77 | 65 Ų | 65 | 79% | 0.794 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 105.6 | 2.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | E254 | E254-G256 PolarHBondContact O-N 3.07Å; E254-G256 VanDerWaalsContact O-N 3.1Å |
| 257 | A | 63.7 | Low | 74.1 | Confident | 19 Ų | 19 | 62.2 Ų | 62.2 | 16% | 0.157 | 32% | 0.321 | C | S | . | . | trans | -50.9 | 139.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | D253 T261 L262 | D253-A257 WeakPolarHBondContact O-CA 3.32Å; D253-A257 WeakPolarHBondContact O-CB 3.24Å; D253-A257 PolarHBondContact O-N 2.85Å; A257-T261 HydrophobicContact CB-CG2 4.47Å; A257-L262 HydrophobicContact CB-CD2 3.92Å; A257-L262 HydrophobicContact CB-CG 4.07Å | ||
| 258 | E | 71.8 | Confident | 74.4 | Confident | 148 Ų | 148 | 59 Ų | 59 | 69% | 0.692 | 31% | 0.307 | S | S | * | . | trans | -60.1 | 151.2 | 172.1 | -68.4 | -172.6 | 169 | 0 | 0 | 110.4 | D260 T261 L262 | E258-D260 PolarHBondContact O-N 2.71Å; E258-D260 VanDerWaalsContact O-N 3.13Å; E258-T261 PolarHBondContact O-N 2.78Å; E258-L262 PolarHBondContact O-N 3.24Å; E258-L262 VanDerWaalsContact O-N 3.16Å | ||
| 259 | R | 74.7 | Confident | 74.9 | Confident | 172 Ų | 172 | 58.6 Ų | 58.6 | 65% | 0.649 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -54.4 | -37 | -178.4 | -170.7 | 175.8 | -176.3 | 174.8 | 0.8 | 111.7 | A115 T261 L262 L263 | A115-R259 HydrophobicContact CB-CG 4.25Å; R259-T261 VanDerWaalsContact C-N 3.34Å; R259-T261 PolarHBondContact O-N 2.66Å; R259-L262 PolarHBondContact O-N 3.3Å; R259-L263 VanDerWaalsContact O-CG 3.31Å; R259-L263 WeakPolarHBondContact O-CG 3.44Å; R259-L263 PolarHBondContact O-N 3.12Å |
| 260 | D | 75.7 | Confident | 75.3 | Confident | 90 Ų | 90 | 58 Ų | 58 | 48% | 0.481 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -65.3 | -34.2 | -179.9 | -73.6 | -18.9 | 0 | 0 | 0 | 113.1 | E258 L263 | E258-D260 PolarHBondContact O-N 2.71Å; E258-D260 VanDerWaalsContact O-N 3.13Å; D260-L263 PolarHBondContact O-N 2.73Å |
| 261 | T | 77.5 | Confident | 76.3 | Confident | 46 Ų | 46 | 60.8 Ų | 60.8 | 28% | 0.282 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -69.3 | -43.2 | 171.9 | -50.7 | 0 | 0 | 0 | 0 | 110.9 | D253 A257 E258 R259 L263 T264 Y265 | D253-T261 WeakPolarHBondContact OD2-CG2 3.3Å; A257-T261 HydrophobicContact CB-CG2 4.47Å; E258-T261 PolarHBondContact O-N 2.78Å; R259-T261 VanDerWaalsContact C-N 3.34Å; R259-T261 PolarHBondContact O-N 2.66Å; T261-L263 PolarHBondContact O-N 3.39Å; T261-T264 WeakPolarHBondContact O-CB 3.5Å; T261-T264 PolarHBondContact O-N 3.47Å; T261-T264 PolarHBondContact O-OG1 3.03Å; T261-Y265 HydrophobicContact CG2-CE2 3.89Å |
| 262 | L | 81.1 | Confident | 77.7 | Confident | 20 Ų | 20 | 54.1 Ų | 54.1 | 11% | 0.105 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.6 | -24.8 | 177.7 | -64 | 177.4 | 0 | 0 | 0 | 113.3 | M114 A115 A257 E258 R259 T264 Y265 | M114-L262 HydrophobicContact CB-CB 4.33Å; M114-L262 HydrophobicContact CB-CD2 4.06Å; M114-L262 PolarHBondContact N-O 2.91Å; A115-L262 HydrophobicContact CB-CB 3.78Å; A115-L262 PolarHBondContact N-O 3.43Å; A257-L262 HydrophobicContact CB-CD2 3.92Å; A257-L262 HydrophobicContact CB-CG 4.07Å; E258-L262 PolarHBondContact O-N 3.24Å; E258-L262 VanDerWaalsContact O-N 3.16Å; R259-L262 PolarHBondContact O-N 3.3Å; L262-T264 PolarHBondContact O-N 3.4Å; L262-Y265 HydrophobicContact CD2-CD2 4.45Å |
| 263 | L | 87.5 | Confident | 79.3 | Confident | 7 Ų | 7 | 52.4 Ų | 52.4 | 4% | 0.037 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -12.8 | 173.7 | -68.5 | 171.6 | 0 | 0 | 0 | 113.3 | K69 C71 A115 R259 D260 T261 | K69-L263 HydrophobicContact CB-CD2 4.3Å; K69-L263 HydrophobicContact CD-CD1 4Å; K69-L263 HydrophobicContact CG-CD1 4.35Å; K69-L263 WeakPolarHBondContact O-CD2 3.38Å; C71-L263 HydrophobicContact CB-CB 4.23Å; C71-L263 PolarHBondContact N-O 3.01Å; A115-L263 HydrophobicContact CB-CD2 3.64Å; A115-L263 HydrophobicContact CB-CG 4Å; R259-L263 VanDerWaalsContact O-CG 3.31Å; R259-L263 WeakPolarHBondContact O-CG 3.44Å; R259-L263 PolarHBondContact O-N 3.12Å; D260-L263 PolarHBondContact O-N 2.73Å; T261-L263 PolarHBondContact O-N 3.39Å |
| 264 | T | 83.2 | Confident | 81 | Confident | 20 Ų | 20 | 49.9 Ų | 49.9 | 12% | 0.123 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | -14.1 | 179.7 | 68.9 | 0 | 0 | 0 | 0 | 114.1 | C71 T261 L262 | C71-T264 HydrophobicContact CB-CG2 3.85Å; C71-T264 WeakPolarHBondContact O-CA 3.29Å; T261-T264 WeakPolarHBondContact O-CB 3.5Å; T261-T264 PolarHBondContact O-N 3.47Å; T261-T264 PolarHBondContact O-OG1 3.03Å; L262-T264 PolarHBondContact O-N 3.4Å |
| 265 | Y | 85.9 | Confident | 82.6 | Confident | 9 Ų | 9 | 47.5 Ų | 47.5 | 4% | 0.035 | 24% | 0.236 | C | C | . | . | trans | -94.8 | 102.4 | 179.5 | -60.7 | -55.9 | 0 | 0 | 0 | 110.3 | T113 M114 H249 T250 D253 T261 L262 | T113-Y265 VanDerWaalsContact CA-O 3.31Å; T113-Y265 WeakPolarHBondContact CA-O 3.44Å; M114-Y265 PolarHBondContact N-O 3.07Å; M114-Y265 VanDerWaalsContact SD-CB 3.53Å; M114-Y265 HydrophobicContact SD-CD2 3.83Å; M114-Y265 HydrophobicContact SD-CG 3.88Å; H249-Y265 WeakPolarHBondContact O-CE1 3.31Å; T250-Y265 HydrophobicContact CG2-CE1 4.24Å; D253-Y265 PolarHBondContact OD1-OH 3.31Å; T261-Y265 HydrophobicContact CG2-CE2 3.89Å; L262-Y265 HydrophobicContact CD2-CD2 4.45Å | ||
| 266 | Y | 89.3 | Confident | 84.2 | Confident | 4 Ų | 4 | 36.1 Ų | 36.1 | 2% | 0.016 | 19% | 0.193 | C | C | . | . | trans | -150.5 | 156.4 | 170 | 55.8 | -88 | 0 | 0 | 0 | 110.2 | Y70 C71 Q110 T113 S147 M248 A268 | Y70-Y266 HydrophobicContact CD2-CD1 4.48Å; Y70-Y266 AromaticContact CD2-CE1 3.74Å; Y70-Y266 HydrophobicContact CD2-CE1 3.74Å; Y70-Y266 HydrophobicContact CD2-CE2 4.39Å; Y70-Y266 AromaticContact CD2-CZ 3.67Å; Y70-Y266 HydrophobicContact CG-CE1 4.41Å; C71-Y266 WeakPolarHBondContact O-CE1 3.42Å; Q110-Y266 HydrophobicContact CG-CD2 3.66Å; Q110-Y266 HydrophobicContact CG-CE2 4.18Å; Q110-Y266 HydrophobicContact CG-CG 4.34Å; T113-Y266 HydrophobicContact CG2-CD1 4.18Å; S147-Y266 VanDerWaalsContact CB-O 3.31Å; S147-Y266 WeakPolarHBondContact CB-O 3.34Å; M248-Y266 VanDerWaalsContact CE-N 3.27Å; M248-Y266 VanDerWaalsContact SD-O 3.41Å; Y266-A268 HydrophobicContact CD2-CB 4.08Å; Y266-A268 HydrophobicContact CE2-CB 3.97Å | ||
| 267 | F | 91.5 | Very high | 85.6 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 17% | 0.17 | C | C | . | . | trans | -87.9 | 137 | 168.3 | -66.8 | -57.2 | 0 | 0 | 0 | 110.1 | W109 Q110 S111 H121 V126 P150 L245 M248 | W109-F267 HydrophobicContact CH2-CB 4.05Å; W109-F267 HydrophobicContact CZ3-CB 4.05Å; Q110-F267 WeakPolarHBondContact CA-O 3.5Å; S111-F267 PolarHBondContact N-O 2.81Å; S111-F267 PolarHBondContact OG-N 3.48Å; H121-F267 AromaticContact CE1-CD2 3.41Å; H121-F267 VanDerWaalsContact CE1-CD2 3.41Å; H121-F267 WeakPolarHBondContact CE1-CD2 3.38Å; H121-F267 AromaticContact CE1-CE2 3.17Å; H121-F267 WeakPolarHBondContact CE1-CE2 3.14Å; H121-F267 AromaticContact CE1-CZ 3.89Å; H121-F267 AromaticContact ND1-CD2 3.86Å; H121-F267 AromaticContact ND1-CE2 3.1Å; H121-F267 WeakPolarHBondContact ND1-CE2 3.41Å; H121-F267 AromaticContact ND1-CZ 3.53Å; V126-F267 HydrophobicContact CB-CD2 4.22Å; V126-F267 HydrophobicContact CB-CE2 4.5Å; V126-F267 HydrophobicContact CG2-CD2 4.05Å; V126-F267 HydrophobicContact CG2-CE2 4.31Å; P150-F267 HydrophobicContact CB-CE1 3.77Å; P150-F267 HydrophobicContact CB-CZ 4.28Å; P150-F267 HydrophobicContact CG-CD1 4.17Å; P150-F267 HydrophobicContact CG-CE1 3.68Å; P150-F267 HydrophobicContact CG-CZ 4.45Å; L245-F267 HydrophobicContact CB-CD2 3.76Å; L245-F267 HydrophobicContact CB-CE1 4.31Å; L245-F267 HydrophobicContact CB-CE2 3.39Å; L245-F267 HydrophobicContact CB-CG 4.36Å; L245-F267 HydrophobicContact CB-CZ 3.72Å; L245-F267 HydrophobicContact CD1-CB 3.92Å; L245-F267 HydrophobicContact CD1-CD1 4.3Å; L245-F267 HydrophobicContact CD1-CD2 3.69Å; L245-F267 HydrophobicContact CD1-CE2 4.23Å; L245-F267 HydrophobicContact CD1-CG 3.74Å; L245-F267 HydrophobicContact CG-CD2 4.38Å; L245-F267 HydrophobicContact CG-CE2 4.44Å; M248-F267 HydrophobicContact CB-CE1 4.36Å; M248-F267 HydrophobicContact CB-CZ 4.47Å; M248-F267 HydrophobicContact CE-CD1 4.31Å; M248-F267 HydrophobicContact CE-CD2 4.45Å; M248-F267 HydrophobicContact CE-CE1 4.36Å; M248-F267 HydrophobicContact CE-CG 4.35Å; M248-F267 HydrophobicContact CE-CZ 4.44Å; M248-F267 HydrophobicContact CG-CD1 3.8Å; M248-F267 HydrophobicContact CG-CE1 3.23Å; M248-F267 HydrophobicContact CG-CZ 3.66Å; M248-F267 HydrophobicContact SD-CD1 4.27Å; M248-F267 HydrophobicContact SD-CE1 4.27Å | ||
| 268 | A | 92.9 | Very high | 86.8 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 128.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | W109 Q110 F145 K146 S147 Y266 | W109-A268 CarbonylContact O-C 3.57Å; W109-A268 WeakPolarHBondContact O-CA 3.46Å; Q110-A268 HydrophobicContact CB-CB 4.4Å; Q110-A268 HydrophobicContact CG-CB 4.36Å; F145-A268 CarbonylContact C-O 3.53Å; F145-A268 WeakPolarHBondContact CA-O 3.34Å; K146-A268 HydrophobicContact CB-CB 3.95Å; K146-A268 PolarHBondContact N-O 2.94Å; S147-A268 PolarHBondContact N-O 2.81Å; S147-A268 PolarHBondContact OG-N 2.9Å; S147-A268 PolarHBondContact OG-O 3.32Å; Y266-A268 HydrophobicContact CD2-CB 4.08Å; Y266-A268 HydrophobicContact CE2-CB 3.97Å |
| 269 | I | 94.4 | Very high | 87.7 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 122 | 178.8 | -60.6 | 177.4 | 0 | 0 | 0 | 107.9 | M100 W108 W109 L128 L143 F145 L245 K271 | M100-I269 HydrophobicContact CG-CB 4Å; M100-I269 HydrophobicContact CG-CG2 3.94Å; M100-I269 HydrophobicContact SD-CB 3.63Å; M100-I269 HydrophobicContact SD-CD1 4.05Å; M100-I269 HydrophobicContact SD-CG1 4.38Å; M100-I269 HydrophobicContact SD-CG2 3.74Å; W108-I269 WeakPolarHBondContact CA-O 3.14Å; W108-I269 WeakPolarHBondContact CB-O 3.04Å; W109-I269 HydrophobicContact CE3-CB 4.01Å; W109-I269 HydrophobicContact CE3-CD1 4.16Å; W109-I269 HydrophobicContact CE3-CG1 3.98Å; W109-I269 HydrophobicContact CZ3-CD1 3.96Å; W109-I269 HydrophobicContact CZ3-CG1 3.97Å; W109-I269 PolarHBondContact N-O 2.91Å; W109-I269 PolarHBondContact O-N 3.24Å; L128-I269 HydrophobicContact CD1-CD1 3.4Å; L143-I269 HydrophobicContact CD2-CD1 4.43Å; L143-I269 HydrophobicContact CD2-CG2 4.34Å; F145-I269 HydrophobicContact CD1-CG1 3.73Å; F145-I269 HydrophobicContact CE1-CD1 3.84Å; F145-I269 HydrophobicContact CE1-CG1 3.54Å; F145-I269 HydrophobicContact CG-CG1 4.39Å; F145-I269 HydrophobicContact CZ-CD1 4Å; F145-I269 HydrophobicContact CZ-CG1 4.07Å; L245-I269 HydrophobicContact CD1-CD1 4.43Å; I269-K271 WeakPolarHBondContact CG2-O 3.24Å |
| 270 | Q | 90.9 | Very high | 88.5 | Confident | 27 Ų | 27 | 20.8 Ų | 20.8 | 13% | 0.126 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | -40.7 | 178.9 | -169.1 | 175.3 | 11.8 | 0 | 0 | 111.1 | P105 W108 Q144 K146 | P105-Q270 PolarHBondContact O-NE2 3.04Å; W108-Q270 HydrophobicContact CB-CB 4.43Å; Q144-Q270 PolarHBondContact O-N 2.61Å; K146-Q270 HydrophobicContact CB-CB 4.26Å |
| 271 | K | 91.7 | Very high | 89.2 | Confident | 94 Ų | 94 | 17.5 Ų | 17.5 | 41% | 0.409 | 9% | 0.085 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 133.3 | -174.6 | -166 | 172.6 | 179.1 | -177.1 | 0 | 111.8 | M100 Y142 L143 Q144 I269 T273 | M100-K271 CarbonylContact O-C 3.52Å; M100-K271 WeakPolarHBondContact O-CA 3.21Å; Y142-K271 HydrophobicContact CE1-CB 4.48Å; Y142-K271 HydrophobicContact CE1-CD 4.12Å; Y142-K271 HydrophobicContact CE1-CG 4.38Å; L143-K271 CarbonylContact C-O 3.58Å; L143-K271 WeakPolarHBondContact CA-O 3.03Å; Q144-K271 HydrophobicContact CB-CB 3.89Å; Q144-K271 PolarHBondContact N-O 3.37Å; Q144-K271 PolarHBondContact O-N 3.22Å; I269-K271 WeakPolarHBondContact CG2-O 3.24Å; K271-T273 WeakPolarHBondContact CE-OG1 3.46Å |
| 272 | L | 92.3 | Very high | 89.8 | Confident | 4 Ų | 4 | 15.3 Ų | 15.3 | 2% | 0.021 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 120.8 | 170.3 | 166.5 | 60.4 | 0 | 0 | 0 | 108.2 | V56 M100 T101 I130 V141 Y142 L143 I243 V274 | V56-L272 HydrophobicContact CG2-CD2 4.17Å; M100-L272 HydrophobicContact CB-CB 3.9Å; M100-L272 PolarHBondContact O-N 3.46Å; T101-L272 HydrophobicContact CG2-CB 4.35Å; T101-L272 HydrophobicContact CG2-CD2 4.24Å; T101-L272 HydrophobicContact CG2-CG 4.32Å; I130-L272 HydrophobicContact CD1-CD2 4.43Å; V141-L272 HydrophobicContact CG1-CD1 4.29Å; Y142-L272 WeakPolarHBondContact O-CA 3.41Å; L143-L272 HydrophobicContact CD2-CB 4.12Å; L143-L272 HydrophobicContact CD2-CD1 3.45Å; L143-L272 VanDerWaalsContact CD2-CD1 3.45Å; L143-L272 HydrophobicContact CD2-CG 4.31Å; I243-L272 HydrophobicContact CD1-CD1 3.99Å; L272-V274 HydrophobicContact CD1-CG2 4.23Å |
| 273 | T | 91.5 | Very high | 90.4 | Very high | 22 Ų | 22 | 14.3 Ų | 14.3 | 14% | 0.135 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 131.2 | 178 | -58.2 | 0 | 0 | 0 | 0 | 109.4 | Y140 Y142 K271 | Y140-T273 HydrophobicContact CE2-CG2 4.24Å; Y142-T273 PolarHBondContact N-O 2.89Å; Y142-T273 PolarHBondContact O-N 3.27Å; K271-T273 WeakPolarHBondContact CE-OG1 3.46Å |
| 274 | V | 91.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 6% | 0.064 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 106.1 | 177.3 | 178.4 | 0 | 0 | 0 | 0 | 106.6 | S49 V50 A51 V138 V141 I241 L272 | S49-V274 CarbonylContact C-O 3.59Å; S49-V274 WeakPolarHBondContact CA-O 3.32Å; V50-V274 HydrophobicContact CB-CB 4.31Å; V50-V274 HydrophobicContact CB-CG1 4.13Å; V50-V274 HydrophobicContact CG2-CG1 4.35Å; V50-V274 PolarHBondContact N-O 2.03Å; A51-V274 HydrophobicContact CB-CB 4.04Å; A51-V274 HydrophobicContact CB-CG2 3.92Å; V138-V274 HydrophobicContact CB-CG1 4.48Å; V138-V274 HydrophobicContact CG1-CG1 3.65Å; V138-V274 HydrophobicContact CG2-CG1 4.01Å; V141-V274 HydrophobicContact CG1-CG2 4.37Å; V141-V274 HydrophobicContact CG2-CG2 4.45Å; I241-V274 HydrophobicContact CD1-CG1 3.72Å; I241-V274 HydrophobicContact CD1-CG2 3.94Å; L272-V274 HydrophobicContact CD1-CG2 4.23Å |
| 275 | G | 89.6 | Confident | 90.9 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 123.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | F47 N139 Y140 | F47-G275 VanDerWaalsContact CZ-C 3.42Å; F47-G275 VanDerWaalsContact CZ-CA 3.49Å; N139-G275 PolarHBondContact N-O 3.35Å; Y140-G275 PolarHBondContact N-O 2.82Å; Y140-G275 PolarHBondContact O-N 3.29Å |
| 276 | G | 90.3 | Very high | 91 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -169.9 | 178.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | T48 H137 | T48-G276 PolarHBondContact N-O 2.78Å; T48-G276 PolarHBondContact O-N 3.14Å; T48-G276 VanDerWaalsContact O-O 3.07Å; H137-G276 CarbonylContact O-C 3.56Å; H137-G276 WeakPolarHBondContact O-CA 3.23Å |
| 277 | R | 89.6 | Confident | 90.8 | Very high | 82 Ų | 82 | 21.8 Ų | 21.8 | 31% | 0.309 | 11% | 0.105 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 142.4 | 176.1 | -67.9 | 176.5 | -176.2 | 163 | 0.4 | 109.9 | F47 F136 H137 | F47-R277 HydrophobicContact CB-CG 4.24Å; F47-R277 HydrophobicContact CD2-CG 4.03Å; F136-R277 CarbonylContact C-O 3.43Å; F136-R277 VanDerWaalsContact CA-O 3.31Å; F136-R277 WeakPolarHBondContact CA-O 3.48Å; F136-R277 VanDerWaalsContact CD1-O 3.32Å; F136-R277 WeakPolarHBondContact CD1-O 3.25Å; H137-R277 PolarHBondContact N-O 3.14Å; H137-R277 PolarHBondContact O-N 2.99Å |
| 278 | C | 90.1 | Very high | 90.6 | Very high | 5 Ų | 5 | 28.3 Ų | 28.3 | 3% | 0.034 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 136.6 | 176.9 | -170 | 0 | 0 | 0 | 0 | 109.8 | P45 F136 C280 C287 | P45-C278 HydrophobicContact CB-CB 4.25Å; P45-C278 HydrophobicContact CG-CB 4.09Å; F136-C278 VanDerWaalsContact CD1-CA 3.47Å; F136-C278 HydrophobicContact CD1-CB 4.14Å; F136-C278 VanDerWaalsContact CD1-N 3.34Å; F136-C278 HydrophobicContact CE1-CB 3.63Å; F136-C278 HydrophobicContact CZ-CB 3.99Å; C278-C280 PolarHBondContact O-N 2.92Å; C278-C287 HydrophobicContact CB-CB 3.83Å; C278-C287 WeakPolarHBondContact CB-SG 3.5Å; C278-C287 WeakPolarHBondContact SG-CB 3.29Å; C278-C287 CovalentContact SG-SG 2.02Å; C278-C287 PolarHBondContact SG-SG 2.75Å |
| 279 | L | 90.6 | Very high | 89.9 | Confident | 7 Ų | 7 | 34.1 Ų | 34.1 | 4% | 0.037 | 16% | 0.155 | C | C | . | . | trans | -83.2 | 98.6 | -175.2 | 176.5 | 63.6 | 0 | 0 | 0 | 110.8 | Q135 H137 T237 C301 N313 | Q135-L279 HydrophobicContact CB-CB 4.02Å; Q135-L279 HydrophobicContact CB-CD2 3.69Å; Q135-L279 HydrophobicContact CB-CG 4.45Å; Q135-L279 VanDerWaalsContact O-CB 3.22Å; Q135-L279 WeakPolarHBondContact O-CB 3.49Å; Q135-L279 PolarHBondContact O-N 2.95Å; H137-L279 WeakPolarHBondContact NE2-CD1 3.41Å; T237-L279 HydrophobicContact CG2-CD2 3.92Å; L279-C301 PolarHBondContact O-SG 2.86Å; L279-N313 WeakPolarHBondContact O-CB 3.29Å; L279-N313 PolarHBondContact O-OD1 2.84Å | ||
| 280 | C | 91.3 | Very high | 89 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 17% | 0.169 | C | C | . | . | trans | -111 | 17.1 | 174.6 | -54.3 | 0 | 0 | 0 | 0 | 113.8 | P45 C278 G282 H283 G284 C287 C301 N313 | P45-C280 HydrophobicContact CG-CB 4.39Å; P45-C280 VanDerWaalsContact CG-SG 3.55Å; C278-C280 PolarHBondContact O-N 2.92Å; C280-G282 PolarHBondContact O-N 3.47Å; C280-H283 PolarHBondContact O-N 3.45Å; C280-G284 WeakPolarHBondContact CB-O 3.42Å; C280-C287 PolarHBondContact SG-SG 2.82Å; C280-C301 WeakPolarHBondContact CA-SG 3.39Å; C280-C301 HydrophobicContact CB-CB 3.79Å; C280-C301 WeakPolarHBondContact CB-SG 3.19Å; C280-C301 WeakPolarHBondContact SG-CB 3.19Å; C280-C301 CovalentContact SG-SG 2.04Å; C280-C301 PolarHBondContact SG-SG 2.91Å; C280-N313 CarbonylContact C-O 3.56Å; C280-N313 VanDerWaalsContact C-O 3.3Å; C280-N313 WeakPolarHBondContact CA-O 3Å | ||
| 281 | N | 90.4 | Very high | 87.4 | Confident | 20 Ų | 20 | 39.6 Ų | 39.6 | 11% | 0.107 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.7 | 23.7 | 179.7 | -65.6 | -69.5 | 0 | 0 | 0 | 115.3 | H283 N313 W326 P328 A329 | N281-H283 VanDerWaalsContact C-N 3.33Å; N281-H283 PolarHBondContact O-CD2 3.43Å; N281-H283 VanDerWaalsContact O-CD2 3.3Å; N281-N313 PolarHBondContact ND2-O 2.91Å; N281-W326 HydrophobicContact CB-CH2 3.95Å; N281-W326 HydrophobicContact CB-CZ2 3.57Å; N281-P328 HydrophobicContact CB-CB 4.22Å; N281-A329 PolarHBondContact O-N 3.39Å |
| 282 | G | 89.4 | Confident | 85.8 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.5 | 8 | -178 | 0 | 0 | 0 | 0 | 0 | 115.7 | C43 C280 A329 | C43-G282 PolarHBondContact N-O 2.85Å; C43-G282 VanDerWaalsContact N-O 3.09Å; C43-G282 CarbonylContact O-C 3.41Å; C43-G282 WeakPolarHBondContact O-CA 3.02Å; C280-G282 PolarHBondContact O-N 3.47Å; G282-A329 WeakPolarHBondContact O-CB 3.3Å |
| 283 | H | 93.9 | Very high | 84 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 23% | 0.231 | C | C | . | . | B | Isolated β-bridge | trans | -108.3 | 6.3 | -176.2 | -62.3 | -64.5 | 0 | 0 | 0 | 114 | C280 N281 D304 H307 T309 C314 W326 Q327 A329 A334 N335 | C280-H283 PolarHBondContact O-N 3.45Å; N281-H283 VanDerWaalsContact C-N 3.33Å; N281-H283 PolarHBondContact O-CD2 3.43Å; N281-H283 VanDerWaalsContact O-CD2 3.3Å; H283-D304 WeakPolarHBondContact O-CB 3.33Å; H283-D304 PolarHBondContact O-N 2.86Å; H283-H307 HydrophobicContact CB-CB 4.27Å; H283-H307 AromaticContact CE1-ND1 3.65Å; H283-H307 AromaticContact CG-ND1 3.99Å; H283-H307 AromaticContact ND1-CE1 3.86Å; H283-H307 AromaticContact ND1-CG 3.47Å; H283-H307 AromaticContact ND1-ND1 2.9Å; H283-H307 PolarHBondContact ND1-ND1 2.89Å; H283-T309 HydrophobicContact CB-CG2 4.24Å; H283-T309 WeakPolarHBondContact CB-OG1 3.36Å; H283-C314 HydrophobicContact CB-CB 3.73Å; H283-W326 AromaticContact CD2-NE1 3.89Å; H283-W326 AromaticContact NE2-NE1 3.8Å; H283-Q327 PolarHBondContact NE2-O 3.02Å; H283-A329 PolarHBondContact NE2-N 3.4Å; H283-A334 PolarHBondContact CE1-O 3.5Å; H283-N335 PolarHBondContact CE1-O 3.28Å |
| 284 | G | 90.9 | Very high | 82.4 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 27% | 0.269 | C | S | . | . | trans | -160.7 | 143.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | P45 C280 V302 | P45-G284 VanDerWaalsContact CD-O 3.31Å; P45-G284 WeakPolarHBondContact CD-O 3.29Å; C280-G284 WeakPolarHBondContact CB-O 3.42Å; G284-V302 WeakPolarHBondContact CA-O 3.16Å | ||
| 285 | N | 89.7 | Confident | 80.8 | Confident | 59 Ų | 59 | 51.7 Ų | 51.7 | 32% | 0.316 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -109.8 | 3.7 | -176.7 | 64.6 | -5.5 | 0 | 0 | 0 | 113.5 | S31 C43 P45 | S31-N285 VanDerWaalsContact O-CB 3.29Å; S31-N285 WeakPolarHBondContact O-CB 3.39Å; S31-N285 PolarHBondContact O-ND2 3.29Å; C43-N285 HydrophobicContact CB-CB 4.34Å; P45-N285 WeakPolarHBondContact CA-O 3.31Å |
| 286 | E | 88.2 | Confident | 79.6 | Confident | 106 Ų | 106 | 60.2 Ų | 60.2 | 50% | 0.495 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 142.3 | -176.6 | -173.7 | -177.5 | 171 | 0 | 0 | 110.9 | V302 | E286-V302 HydrophobicContact CB-CB 4.24Å; E286-V302 HydrophobicContact CB-CG2 4.18Å; E286-V302 HydrophobicContact CG-CG2 4.24Å; E286-V302 PolarHBondContact O-N 3.33Å |
| 287 | C | 86.8 | Confident | 78.5 | Confident | 31 Ų | 31 | 65.3 Ų | 65.3 | 21% | 0.209 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 121.1 | 167.9 | -74.5 | 0 | 0 | 0 | 0 | 109.9 | C278 C280 L299 V300 C301 | C278-C287 HydrophobicContact CB-CB 3.83Å; C278-C287 WeakPolarHBondContact CB-SG 3.5Å; C278-C287 WeakPolarHBondContact SG-CB 3.29Å; C278-C287 CovalentContact SG-SG 2.02Å; C278-C287 PolarHBondContact SG-SG 2.75Å; C280-C287 PolarHBondContact SG-SG 2.82Å; C287-L299 HydrophobicContact CB-CD2 4.48Å; C287-V300 CarbonylContact C-O 3.6Å; C287-V300 WeakPolarHBondContact CA-O 3.29Å; C287-C301 PolarHBondContact SG-SG 2.02Å |
| 288 | R | 85.4 | Confident | 77.9 | Confident | 137 Ų | 137 | 65.7 Ų | 65.7 | 52% | 0.517 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 151.6 | 178.7 | 86.9 | 175.3 | 77.7 | -166.4 | 1.8 | 110.9 | S290 L299 V300 V302 | R288-S290 PolarHBondContact O-N 3.06Å; R288-L299 WeakPolarHBondContact O-CA 3.26Å; R288-V300 HydrophobicContact CG-CG2 4.01Å; R288-V300 PolarHBondContact N-O 3.41Å; R288-V300 PolarHBondContact O-N 3Å; R288-V302 HydrophobicContact CB-CG2 4.16Å; R288-V302 HydrophobicContact CG-CG2 4.32Å; R288-V302 VanDerWaalsContact NE-CG2 3.33Å; R288-V302 VanDerWaalsContact NH2-CG1 3.31Å |
| 289 | K | 79.5 | Confident | 77.5 | Confident | 123 Ų | 123 | 66.6 Ų | 66.6 | 54% | 0.535 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 123.2 | 167.7 | -66.5 | 172.5 | 161.3 | -148.3 | 0 | 108.7 | E297 L299 | K289-E297 WeakPolarHBondContact CD-OE1 3.45Å; K289-E297 WeakPolarHBondContact CE-OE1 3.31Å; K289-E297 IonicContact NZ-OE1 2.79Å; K289-E297 PolarHBondContact NZ-OE1 3.17Å; K289-L299 HydrophobicContact CG-CD2 3.83Å |
| 290 | S | 75.7 | Confident | 77.3 | Confident | 43 Ų | 43 | 67.1 Ų | 67.1 | 30% | 0.301 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 118.1 | 173.4 | -176.7 | 0 | 0 | 0 | 0 | 109.3 | R288 R298 | R288-S290 PolarHBondContact O-N 3.06Å; S290-R298 PolarHBondContact N-O 3.03Å; S290-R298 PolarHBondContact O-N 3.3Å |
| 291 | S | 57.3 | Low | 77.2 | Confident | 99 Ų | 99 | 67.6 Ų | 67.6 | 69% | 0.692 | 37% | 0.368 | S | S | * | . | trans | -116.7 | 86.4 | 176.3 | 47.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 292 | G | 56.7 | Low | 77.2 | Confident | 24 Ų | 24 | 68.1 Ų | 68.1 | 25% | 0.247 | 37% | 0.372 | C | S | . | . | trans | -67.3 | 148 | 166 | 0 | 0 | 0 | 0 | 0 | 110.7 | G294 Q295 | G292-G294 PolarHBondContact O-N 2.8Å; G292-Q295 PolarHBondContact O-N 3.34Å | ||
| 293 | P | 54.3 | Low | 77.3 | Confident | 140 Ų | 140 | 69.4 Ų | 69.4 | 91% | 0.909 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | 115.7 | 175.8 | -19.1 | 29.7 | 0 | 0 | 0 | 110.7 | Q295 | P293-Q295 VanDerWaalsContact C-N 3.35Å; P293-Q295 PolarHBondContact O-N 2.91Å |
| 294 | G | 58.3 | Low | 77.2 | Confident | 91 Ų | 91 | 71 Ų | 71 | 94% | 0.938 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.3 | -0.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | G292 | G292-G294 PolarHBondContact O-N 2.8Š|
| 295 | Q | 59.4 | Low | 77.2 | Confident | 118 Ų | 118 | 75.9 Ų | 75.9 | 55% | 0.551 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -93 | 147.4 | 171.9 | -66.5 | -159.7 | -16.4 | 0 | 0 | 111.3 | G292 P293 | G292-Q295 PolarHBondContact O-N 3.34Å; P293-Q295 VanDerWaalsContact C-N 3.35Å; P293-Q295 PolarHBondContact O-N 2.91Å |
| 296 | K | 63.3 | Low | 77.2 | Confident | 180 Ų | 180 | 74.3 Ų | 74.3 | 78% | 0.783 | 42% | 0.416 | S | S | * | . | trans | -60.3 | 141.3 | 170.6 | -78.2 | -177.5 | 176.8 | 179.1 | 0 | 109.4 | R298 | K296-R298 PolarHBondContact O-N 2.02Š| ||
| 297 | E | 68.1 | Low | 77.5 | Confident | 107 Ų | 107 | 69.2 Ų | 69.2 | 50% | 0.5 | 39% | 0.393 | S | S | . | . | trans | -59.3 | 110.9 | 176.6 | -169.6 | -177.4 | 170.1 | 0 | 0 | 109.8 | K289 | K289-E297 WeakPolarHBondContact CD-OE1 3.45Å; K289-E297 WeakPolarHBondContact CE-OE1 3.31Å; K289-E297 IonicContact NZ-OE1 2.79Å; K289-E297 PolarHBondContact NZ-OE1 3.17Å | ||
| 298 | R | 76.2 | Confident | 77.8 | Confident | 89 Ų | 89 | 70.5 Ų | 70.5 | 34% | 0.336 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 156.2 | 180 | 61.9 | -177.7 | -172.3 | 148.2 | 18 | 110.5 | G133 S290 K296 V300 D312 | G133-R298 WeakPolarHBondContact O-CB 3.33Å; S290-R298 PolarHBondContact N-O 3.03Å; S290-R298 PolarHBondContact O-N 3.3Å; K296-R298 PolarHBondContact O-N 2.02Å; R298-V300 HydrophobicContact CG-CG1 4.42Å; R298-D312 IonicContact CZ-OD1 3.45Å; R298-D312 IonicContact CZ-OD2 2.95Å; R298-D312 IonicContact NH1-OD1 2.83Å; R298-D312 IonicContact NH1-OD2 2.99Å; R298-D312 PolarHBondContact NH1-OD2 3.27Å; R298-D312 VanDerWaalsContact NH2-CG 3.33Å; R298-D312 IonicContact NH2-OD1 3.57Å; R298-D312 PolarHBondContact NH2-OD1 3.46Å; R298-D312 IonicContact NH2-OD2 2.74Å; R298-D312 PolarHBondContact NH2-OD2 3.11Å |
| 299 | L | 82.8 | Confident | 78.2 | Confident | 25 Ų | 25 | 64.1 Ų | 64.1 | 13% | 0.131 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 139.3 | 173 | -80.1 | 171.3 | 0 | 0 | 0 | 108.6 | G133 T134 F136 C287 R288 K289 | G133-L299 PolarHBondContact O-N 2.8Å; T134-L299 VanDerWaalsContact CB-O 3.25Å; T134-L299 WeakPolarHBondContact CB-O 3.36Å; T134-L299 HydrophobicContact CG2-CB 3.68Å; F136-L299 HydrophobicContact CE2-CD1 4.16Å; F136-L299 HydrophobicContact CZ-CD1 3.75Å; C287-L299 HydrophobicContact CB-CD2 4.48Å; R288-L299 WeakPolarHBondContact O-CA 3.26Å; K289-L299 HydrophobicContact CG-CD2 3.83Å |
| 300 | V | 86.4 | Confident | 78.7 | Confident | 17 Ų | 17 | 59.8 Ų | 59.8 | 10% | 0.103 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 140.1 | 173.8 | -60.3 | 0 | 0 | 0 | 0 | 108.7 | C287 R288 R298 D312 | C287-V300 CarbonylContact C-O 3.6Å; C287-V300 WeakPolarHBondContact CA-O 3.29Å; R288-V300 HydrophobicContact CG-CG2 4.01Å; R288-V300 PolarHBondContact N-O 3.41Å; R288-V300 PolarHBondContact O-N 3Å; R298-V300 HydrophobicContact CG-CG1 4.42Å; V300-D312 CarbonylContact C-O 3.47Å; V300-D312 WeakPolarHBondContact CA-O 3.28Å; V300-D312 HydrophobicContact CG1-CB 4.08Å; V300-D312 WeakPolarHBondContact CG1-OD1 3.34Å |
| 301 | C | 89.6 | Confident | 79.3 | Confident | 10 Ų | 10 | 59 Ų | 59 | 7% | 0.068 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 141.2 | 173 | -72.8 | 0 | 0 | 0 | 0 | 110.9 | L279 C280 C287 C303 D312 C314 | L279-C301 PolarHBondContact O-SG 2.86Å; C280-C301 WeakPolarHBondContact CA-SG 3.39Å; C280-C301 HydrophobicContact CB-CB 3.79Å; C280-C301 WeakPolarHBondContact CB-SG 3.19Å; C280-C301 WeakPolarHBondContact SG-CB 3.19Å; C280-C301 CovalentContact SG-SG 2.04Å; C280-C301 PolarHBondContact SG-SG 2.91Å; C287-C301 PolarHBondContact SG-SG 2.02Å; C301-C303 PolarHBondContact O-N 2.76Å; C301-D312 WeakPolarHBondContact CB-O 3.29Å; C301-D312 PolarHBondContact N-O 3.05Å; C301-C314 VanDerWaalsContact CB-SG 3.6Å |
| 302 | V | 90.1 | Very high | 80.6 | Confident | 31 Ų | 31 | 56.7 Ų | 56.7 | 19% | 0.188 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 97.2 | 164.1 | -173.7 | 0 | 0 | 0 | 0 | 106.8 | G284 E286 R288 D304 | G284-V302 WeakPolarHBondContact CA-O 3.16Å; E286-V302 HydrophobicContact CB-CB 4.24Å; E286-V302 HydrophobicContact CB-CG2 4.18Å; E286-V302 HydrophobicContact CG-CG2 4.24Å; E286-V302 PolarHBondContact O-N 3.33Å; R288-V302 HydrophobicContact CB-CG2 4.16Å; R288-V302 HydrophobicContact CG-CG2 4.32Å; R288-V302 VanDerWaalsContact NE-CG2 3.33Å; R288-V302 VanDerWaalsContact NH2-CG1 3.31Å; V302-D304 PolarHBondContact O-N 3.39Å |
| 303 | C | 91.4 | Very high | 82.1 | Confident | 28 Ų | 28 | 56 Ų | 56 | 19% | 0.189 | 33% | 0.326 | C | S | . | . | trans | -66.5 | 132 | 177 | -53.6 | 0 | 0 | 0 | 0 | 110.3 | C301 T309 C314 | C301-C303 PolarHBondContact O-N 2.76Å; C303-T309 VanDerWaalsContact CB-O 3.24Å; C303-T309 WeakPolarHBondContact CB-O 3.04Å; C303-C314 WeakPolarHBondContact CA-SG 3.47Å; C303-C314 HydrophobicContact CB-CB 4.02Å; C303-C314 WeakPolarHBondContact CB-SG 3.32Å; C303-C314 WeakPolarHBondContact SG-CA 3.45Å; C303-C314 WeakPolarHBondContact SG-CB 3.14Å; C303-C314 CovalentContact SG-SG 2.04Å; C303-C314 PolarHBondContact SG-SG 3.21Å | ||
| 304 | D | 92.2 | Very high | 83.9 | Confident | 34 Ų | 34 | 49.3 Ų | 49.3 | 18% | 0.182 | 28% | 0.283 | C | S | . | . | trans | -71.6 | 132 | -177.7 | -169.6 | -81.8 | 0 | 0 | 0 | 110.7 | C33 H283 V302 A306 H307 | C33-D304 HydrophobicContact CB-CB 3.69Å; C33-D304 WeakPolarHBondContact CB-OD2 3.28Å; H283-D304 WeakPolarHBondContact O-CB 3.33Å; H283-D304 PolarHBondContact O-N 2.86Å; V302-D304 PolarHBondContact O-N 3.39Å; D304-A306 PolarHBondContact O-N 2.63Å; D304-A306 VanDerWaalsContact O-N 3.14Å; D304-A306 WeakPolarHBondContact OD1-CB 3.28Å; D304-A306 PolarHBondContact OD1-N 3.02Å; D304-H307 PolarHBondContact O-N 3.22Å; D304-H307 VanDerWaalsContact O-N 3.08Å | ||
| 305 | P | 90.1 | Very high | 85.4 | Confident | 101 Ų | 101 | 48.7 Ų | 48.7 | 66% | 0.656 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -29.3 | -179.8 | -26.5 | 35 | 0 | 0 | 0 | 114.3 | H307 H308 | P305-H307 VanDerWaalsContact C-N 3.26Å; P305-H307 PolarHBondContact O-N 2.95Å; P305-H308 PolarHBondContact O-CD2 3.36Å; P305-H308 VanDerWaalsContact O-CD2 3.25Å; P305-H308 PolarHBondContact O-N 3.32Å; P305-H308 PolarHBondContact O-NE2 3.21Å |
| 306 | A | 90.1 | Very high | 86.9 | Confident | 26 Ų | 26 | 48 Ų | 48 | 22% | 0.215 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -22 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | V34 P40 D304 | V34-A306 HydrophobicContact CG1-CB 3.65Å; P40-A306 HydrophobicContact CB-CB 4.17Å; D304-A306 PolarHBondContact O-N 2.63Å; D304-A306 VanDerWaalsContact O-N 3.14Å; D304-A306 WeakPolarHBondContact OD1-CB 3.28Å; D304-A306 PolarHBondContact OD1-N 3.02Å |
| 307 | H | 93.8 | Very high | 88.2 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93 | -14.7 | 178.7 | -68.5 | -117 | 0 | 0 | 0 | 113.3 | C33 Q41 H283 D304 P305 T309 A334 P336 C337 | C33-H307 PolarHBondContact O-NE2 2.65Å; Q41-H307 PolarHBondContact O-CE1 2.68Å; Q41-H307 VanDerWaalsContact O-CE1 3.29Å; Q41-H307 PolarHBondContact O-NE2 3.03Å; H283-H307 HydrophobicContact CB-CB 4.27Å; H283-H307 AromaticContact CE1-ND1 3.65Å; H283-H307 AromaticContact CG-ND1 3.99Å; H283-H307 AromaticContact ND1-CE1 3.86Å; H283-H307 AromaticContact ND1-CG 3.47Å; H283-H307 AromaticContact ND1-ND1 2.9Å; H283-H307 PolarHBondContact ND1-ND1 2.89Å; D304-H307 PolarHBondContact O-N 3.22Å; D304-H307 VanDerWaalsContact O-N 3.08Å; P305-H307 VanDerWaalsContact C-N 3.26Å; P305-H307 PolarHBondContact O-N 2.95Å; H307-T309 HydrophobicContact CB-CG2 4.33Å; H307-T309 PolarHBondContact O-N 2.86Å; H307-A334 PolarHBondContact CE1-O 3.08Å; H307-A334 PolarHBondContact ND1-O 2.88Å; H307-A334 VanDerWaalsContact ND1-O 3.09Å; H307-P336 CarbonylContact O-C 3.58Å; H307-P336 WeakPolarHBondContact O-CA 3.37Å; H307-C337 PolarHBondContact O-N 2.87Å |
| 308 | H | 93.5 | Very high | 89.2 | Confident | 57 Ų | 57 | 38.5 Ų | 38.5 | 26% | 0.264 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.9 | 34.5 | -179.9 | -49.6 | 103.3 | 0 | 0 | 0 | 114.3 | P305 Q318 Y321 C337 | P305-H308 PolarHBondContact O-CD2 3.36Å; P305-H308 VanDerWaalsContact O-CD2 3.25Å; P305-H308 PolarHBondContact O-N 3.32Å; P305-H308 PolarHBondContact O-NE2 3.21Å; H308-Q318 VanDerWaalsContact O-CB 3.26Å; H308-Q318 WeakPolarHBondContact O-CB 3.26Å; H308-Q318 PolarHBondContact O-N 2.79Å; H308-Y321 HydrophobicContact CB-CD1 3.44Å; H308-Y321 VanDerWaalsContact CB-CD1 3.44Å; H308-Y321 HydrophobicContact CB-CD2 4.19Å; H308-Y321 HydrophobicContact CB-CE1 3.78Å; H308-Y321 HydrophobicContact CB-CE2 4.46Å; H308-Y321 HydrophobicContact CB-CG 3.69Å; H308-Y321 AromaticContact CD2-CD1 3.85Å; H308-Y321 AromaticContact CD2-CE1 3.19Å; H308-Y321 WeakPolarHBondContact CD2-CE1 3.26Å; H308-Y321 AromaticContact CD2-CZ 3.33Å; H308-Y321 PolarHBondContact CD2-OH 3.36Å; H308-Y321 AromaticContact CE1-CE1 3.91Å; H308-Y321 AromaticContact CG-CD1 3.49Å; H308-Y321 VanDerWaalsContact CG-CD1 3.49Å; H308-Y321 AromaticContact CG-CE1 3.31Å; H308-Y321 AromaticContact CG-CZ 3.87Å; H308-Y321 AromaticContact ND1-CD1 3.97Å; H308-Y321 AromaticContact ND1-CE1 3.76Å; H308-Y321 AromaticContact NE2-CE1 3.58Å; H308-Y321 AromaticContact NE2-CZ 3.88Å; H308-C337 HydrophobicContact CB-CB 4.11Å; H308-C337 WeakPolarHBondContact O-CB 2.93Å |
| 309 | T | 93.9 | Very high | 89.6 | Confident | 4 Ų | 4 | 38.2 Ų | 38.2 | 3% | 0.025 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 156.8 | 175.8 | 51.6 | 0 | 0 | 0 | 0 | 111.2 | H283 C303 H307 Q316 | H283-T309 HydrophobicContact CB-CG2 4.24Å; H283-T309 WeakPolarHBondContact CB-OG1 3.36Å; C303-T309 VanDerWaalsContact CB-O 3.24Å; C303-T309 WeakPolarHBondContact CB-O 3.04Å; H307-T309 HydrophobicContact CB-CG2 4.33Å; H307-T309 PolarHBondContact O-N 2.86Å; T309-Q316 CarbonylContact C-O 3.56Å; T309-Q316 WeakPolarHBondContact CA-O 3.31Å |
| 310 | S | 90.4 | Very high | 89.8 | Confident | 32 Ų | 32 | 37.5 Ų | 37.5 | 22% | 0.224 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 177.5 | 176.7 | 77.3 | 0 | 0 | 0 | 0 | 110.6 | C314 E315 Q316 C317 | S310-C314 CarbonylContact O-C 3.57Å; S310-C314 WeakPolarHBondContact O-CA 3.48Å; S310-E315 PolarHBondContact O-N 2.04Å; S310-Q316 PolarHBondContact N-O 2.65Å; S310-Q316 WeakPolarHBondContact O-CG 3.03Å; S310-Q316 PolarHBondContact O-N 3.35Å; S310-Q316 VanDerWaalsContact O-N 3.09Å; S310-C317 PolarHBondContact OG-O 2.7Å |
| 311 | G | 87.8 | Confident | 89.9 | Confident | 25 Ų | 25 | 39.6 Ų | 39.6 | 26% | 0.258 | 23% | 0.228 | S | C | . | . | S | Bend | trans | 103 | 167.1 | -170.5 | 0 | 0 | 0 | 0 | 0 | 112 | N313 C314 E315 | G311-N313 PolarHBondContact O-N 3.22Å; G311-C314 PolarHBondContact O-N 3.35Å; G311-E315 VanDerWaalsContact C-OE2 3.25Å; G311-E315 WeakPolarHBondContact CA-OE1 3.33Å; G311-E315 WeakPolarHBondContact CA-OE2 3.04Å |
| 312 | D | 85 | Confident | 89.7 | Confident | 51 Ų | 51 | 41.8 Ų | 41.8 | 27% | 0.273 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -23.3 | -174.3 | -69.5 | -30.7 | 0 | 0 | 0 | 112 | R298 V300 C301 E315 | R298-D312 IonicContact CZ-OD1 3.45Å; R298-D312 IonicContact CZ-OD2 2.95Å; R298-D312 IonicContact NH1-OD1 2.83Å; R298-D312 IonicContact NH1-OD2 2.99Å; R298-D312 PolarHBondContact NH1-OD2 3.27Å; R298-D312 VanDerWaalsContact NH2-CG 3.33Å; R298-D312 IonicContact NH2-OD1 3.57Å; R298-D312 PolarHBondContact NH2-OD1 3.46Å; R298-D312 IonicContact NH2-OD2 2.74Å; R298-D312 PolarHBondContact NH2-OD2 3.11Å; V300-D312 CarbonylContact C-O 3.47Å; V300-D312 WeakPolarHBondContact CA-O 3.28Å; V300-D312 HydrophobicContact CG1-CB 4.08Å; V300-D312 WeakPolarHBondContact CG1-OD1 3.34Å; C301-D312 WeakPolarHBondContact CB-O 3.29Å; C301-D312 PolarHBondContact N-O 3.05Å; D312-E315 PolarHBondContact N-OE1 3.32Å; D312-E315 PolarHBondContact N-OE2 2.75Å; D312-E315 VanDerWaalsContact N-OE2 3.16Å |
| 313 | N | 88.4 | Confident | 89.5 | Confident | 10 Ų | 10 | 41.4 Ų | 41.4 | 5% | 0.053 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -124.4 | 16.9 | -179.4 | -65.3 | -32.4 | 0 | 0 | 0 | 111.9 | T134 Q135 L279 C280 N281 G311 E315 | T134-N313 PolarHBondContact OG1-OD1 2.74Å; Q135-N313 PolarHBondContact OE1-ND2 3.32Å; L279-N313 WeakPolarHBondContact O-CB 3.29Å; L279-N313 PolarHBondContact O-OD1 2.84Å; C280-N313 CarbonylContact C-O 3.56Å; C280-N313 VanDerWaalsContact C-O 3.3Å; C280-N313 WeakPolarHBondContact CA-O 3Å; N281-N313 PolarHBondContact ND2-O 2.91Å; G311-N313 PolarHBondContact O-N 3.22Å; N313-E315 VanDerWaalsContact C-OE2 3.24Å; N313-E315 VanDerWaalsContact CA-OE2 3.28Å; N313-E315 WeakPolarHBondContact CA-OE2 3.4Å; N313-E315 PolarHBondContact N-OE2 2.99Å; N313-E315 PolarHBondContact O-N 3.15Å |
| 314 | C | 92.3 | Very high | 89.3 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.234 | C | C | . | . | S | Bend | trans | 58.1 | 35.3 | -174 | -48.8 | 0 | 0 | 0 | 0 | 113.6 | H283 C301 C303 S310 G311 W326 | H283-C314 HydrophobicContact CB-CB 3.73Å; C301-C314 VanDerWaalsContact CB-SG 3.6Å; C303-C314 WeakPolarHBondContact CA-SG 3.47Å; C303-C314 HydrophobicContact CB-CB 4.02Å; C303-C314 WeakPolarHBondContact CB-SG 3.32Å; C303-C314 WeakPolarHBondContact SG-CA 3.45Å; C303-C314 WeakPolarHBondContact SG-CB 3.14Å; C303-C314 CovalentContact SG-SG 2.04Å; C303-C314 PolarHBondContact SG-SG 3.21Å; S310-C314 CarbonylContact O-C 3.57Å; S310-C314 WeakPolarHBondContact O-CA 3.48Å; G311-C314 PolarHBondContact O-N 3.35Å; C314-W326 VanDerWaalsContact O-CE2 3.3Å; C314-W326 WeakPolarHBondContact O-CZ2 3.24Å; C314-W326 PolarHBondContact O-NE1 3.45Å |
| 315 | E | 88.2 | Confident | 88.9 | Confident | 77 Ų | 77 | 43.4 Ų | 43.4 | 36% | 0.36 | 24% | 0.242 | S | C | . | . | trans | -85.9 | -3.4 | -171.7 | 72.5 | -79 | -174.3 | 0 | 0 | 115.1 | S310 G311 D312 N313 W326 | S310-E315 PolarHBondContact O-N 2.04Å; G311-E315 VanDerWaalsContact C-OE2 3.25Å; G311-E315 WeakPolarHBondContact CA-OE1 3.33Å; G311-E315 WeakPolarHBondContact CA-OE2 3.04Å; D312-E315 PolarHBondContact N-OE1 3.32Å; D312-E315 PolarHBondContact N-OE2 2.75Å; D312-E315 VanDerWaalsContact N-OE2 3.16Å; N313-E315 VanDerWaalsContact C-OE2 3.24Å; N313-E315 VanDerWaalsContact CA-OE2 3.28Å; N313-E315 WeakPolarHBondContact CA-OE2 3.4Å; N313-E315 PolarHBondContact N-OE2 2.99Å; N313-E315 PolarHBondContact O-N 3.15Å; E315-W326 VanDerWaalsContact C-CE2 3.46Å; E315-W326 VanDerWaalsContact O-CD2 3.24Å | ||
| 316 | Q | 91.1 | Very high | 88.9 | Confident | 103 Ų | 103 | 41.9 Ų | 41.9 | 48% | 0.481 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 165.4 | 179 | 56.9 | 179.1 | 12 | 0 | 0 | 110.4 | T309 S310 W326 | T309-Q316 CarbonylContact C-O 3.56Å; T309-Q316 WeakPolarHBondContact CA-O 3.31Å; S310-Q316 PolarHBondContact N-O 2.65Å; S310-Q316 WeakPolarHBondContact O-CG 3.03Å; S310-Q316 PolarHBondContact O-N 3.35Å; S310-Q316 VanDerWaalsContact O-N 3.09Å; Q316-W326 VanDerWaalsContact C-CD1 3.47Å |
| 317 | C | 91.7 | Very high | 88.9 | Confident | 7 Ų | 7 | 45.7 Ų | 45.7 | 5% | 0.047 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 153.1 | 173.1 | -67.6 | 0 | 0 | 0 | 0 | 111.4 | S310 Y321 C337 | S310-C317 PolarHBondContact OG-O 2.7Å; C317-Y321 VanDerWaalsContact CB-O 3.23Å; C317-Y321 WeakPolarHBondContact CB-O 3.36Å; C317-Y321 PolarHBondContact SG-O 3.4Å; C317-Y321 VanDerWaalsContact SG-O 3.41Å; C317-C337 WeakPolarHBondContact CA-SG 3.09Å; C317-C337 HydrophobicContact CB-CB 3.65Å; C317-C337 WeakPolarHBondContact CB-SG 3.02Å; C317-C337 WeakPolarHBondContact SG-CB 3.08Å; C317-C337 CovalentContact SG-SG 2.04Å; C317-C337 PolarHBondContact SG-SG 2.89Å |
| 318 | Q | 88.9 | Confident | 88.6 | Confident | 82 Ų | 82 | 47.8 Ų | 47.8 | 38% | 0.383 | 25% | 0.25 | S | C | . | . | P | Polyproline II helix | trans | -66.4 | 149.8 | 170 | -170.3 | 178.7 | -55.3 | 0 | 0 | 110 | H308 G320 Y321 | H308-Q318 VanDerWaalsContact O-CB 3.26Å; H308-Q318 WeakPolarHBondContact O-CB 3.26Å; H308-Q318 PolarHBondContact O-N 2.79Å; Q318-G320 PolarHBondContact O-N 2.99Å; Q318-Y321 HydrophobicContact CB-CD2 4.11Å; Q318-Y321 PolarHBondContact O-N 3.47Å |
| 319 | S | 84.8 | Confident | 88.4 | Confident | 82 Ų | 82 | 45.1 Ų | 45.1 | 57% | 0.573 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.3 | 127.5 | 171.9 | 47.3 | 0 | 0 | 0 | 0 | 110.9 | ||
| 320 | G | 85.5 | Confident | 87.9 | Confident | 11 Ų | 11 | 46.3 Ų | 46.3 | 11% | 0.113 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 89.6 | 4.7 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q318 A339 C340 H347 | Q318-G320 PolarHBondContact O-N 2.99Å; G320-A339 CarbonylContact O-C 3.53Å; G320-A339 WeakPolarHBondContact O-CA 3.38Å; G320-C340 PolarHBondContact O-N 3.06Å; G320-C340 PolarHBondContact O-SG 2.94Å; G320-H347 WeakPolarHBondContact CA-O 3.33Å |
| 321 | Y | 89.7 | Confident | 87.3 | Confident | 60 Ų | 60 | 47.6 Ų | 47.6 | 24% | 0.235 | 25% | 0.253 | C | S | . | . | trans | -125.2 | 47.8 | 179.4 | -65.6 | -101.9 | 0 | 0 | 0 | 113.4 | H308 C317 Q318 I338 A339 | H308-Y321 HydrophobicContact CB-CD1 3.44Å; H308-Y321 VanDerWaalsContact CB-CD1 3.44Å; H308-Y321 HydrophobicContact CB-CD2 4.19Å; H308-Y321 HydrophobicContact CB-CE1 3.78Å; H308-Y321 HydrophobicContact CB-CE2 4.46Å; H308-Y321 HydrophobicContact CB-CG 3.69Å; H308-Y321 AromaticContact CD2-CD1 3.85Å; H308-Y321 AromaticContact CD2-CE1 3.19Å; H308-Y321 WeakPolarHBondContact CD2-CE1 3.26Å; H308-Y321 AromaticContact CD2-CZ 3.33Å; H308-Y321 PolarHBondContact CD2-OH 3.36Å; H308-Y321 AromaticContact CE1-CE1 3.91Å; H308-Y321 AromaticContact CG-CD1 3.49Å; H308-Y321 VanDerWaalsContact CG-CD1 3.49Å; H308-Y321 AromaticContact CG-CE1 3.31Å; H308-Y321 AromaticContact CG-CZ 3.87Å; H308-Y321 AromaticContact ND1-CD1 3.97Å; H308-Y321 AromaticContact ND1-CE1 3.76Å; H308-Y321 AromaticContact NE2-CE1 3.58Å; H308-Y321 AromaticContact NE2-CZ 3.88Å; C317-Y321 VanDerWaalsContact CB-O 3.23Å; C317-Y321 WeakPolarHBondContact CB-O 3.36Å; C317-Y321 PolarHBondContact SG-O 3.4Å; C317-Y321 VanDerWaalsContact SG-O 3.41Å; Q318-Y321 HydrophobicContact CB-CD2 4.11Å; Q318-Y321 PolarHBondContact O-N 3.47Å; Y321-I338 CarbonylContact C-O 3.5Å; Y321-I338 WeakPolarHBondContact CA-O 3.09Å; Y321-A339 VanDerWaalsContact CD1-CA 3.49Å; Y321-A339 HydrophobicContact CD1-CB 3.8Å; Y321-A339 VanDerWaalsContact CD1-N 3.33Å; Y321-A339 HydrophobicContact CE1-CB 3.74Å | ||
| 322 | H | 85.5 | Confident | 87 | Confident | 57 Ų | 57 | 51.9 Ų | 51.9 | 26% | 0.264 | 27% | 0.266 | S | S | . | . | B | Isolated β-bridge | trans | -107.8 | 29.7 | -175.8 | -56.9 | 114.2 | 0 | 0 | 0 | 114.4 | R324 I338 C349 F351 | H322-R324 VanDerWaalsContact C-N 3.33Å; H322-I338 PolarHBondContact N-O 2.95Å; H322-C349 PolarHBondContact ND1-O 3.48Å; H322-F351 HydrophobicContact CB-CB 4.32Å; H322-F351 WeakPolarHBondContact O-CD2 3.24Å |
| 323 | D | 84.7 | Confident | 87 | Confident | 22 Ų | 22 | 53.1 Ų | 53.1 | 12% | 0.118 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -75.7 | -23.5 | 178.6 | -167.4 | 43.9 | 0 | 0 | 0 | 113.6 | I338 Y356 S361 G362 S363 | D323-I338 HydrophobicContact CB-CB 4.09Å; D323-I338 HydrophobicContact CB-CG2 3.94Å; D323-I338 PolarHBondContact N-O 2.87Å; D323-I338 VanDerWaalsContact N-O 3.14Å; D323-Y356 WeakPolarHBondContact O-CD2 3.39Å; D323-S361 WeakPolarHBondContact OD1-CA 3.38Å; D323-S361 WeakPolarHBondContact OD1-CB 3Å; D323-S361 PolarHBondContact OD1-OG 3.41Å; D323-G362 PolarHBondContact O-N 3.39Å; D323-G362 PolarHBondContact OD1-N 3.03Å; D323-S363 WeakPolarHBondContact OD1-CB 3.42Å; D323-S363 PolarHBondContact OD1-N 3.35Å; D323-S363 PolarHBondContact OD1-OG 2.97Å |
| 324 | R | 87.1 | Confident | 87 | Confident | 52 Ų | 52 | 53.1 Ų | 53.1 | 20% | 0.196 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -128.1 | 149.6 | 174.3 | 140.6 | 167 | 85.9 | 179.2 | 0.8 | 109.1 | H322 P336 I338 Y356 | H322-R324 VanDerWaalsContact C-N 3.33Å; R324-P336 PolarHBondContact NE-O 2.92Å; R324-P336 PolarHBondContact NH2-O 3.39Å; R324-I338 HydrophobicContact CB-CD1 4.24Å; R324-Y356 HydrophobicContact CB-CE2 3.94Å |
| 325 | P | 84.4 | Confident | 86.9 | Confident | 52 Ų | 52 | 53.8 Ų | 53.8 | 34% | 0.338 | 28% | 0.277 | S | S | . | . | trans | -64.8 | 142.5 | 172.2 | 28.6 | -34.4 | 0 | 0 | 0 | 111.3 | F351 Y356 | P325-F351 HydrophobicContact CB-CE1 4.13Å; P325-F351 HydrophobicContact CB-CE2 4.48Å; P325-F351 HydrophobicContact CB-CZ 4Å; P325-F351 VanDerWaalsContact CD-CE2 3.45Å; P325-F351 VanDerWaalsContact CD-CZ 3.46Å; P325-F351 HydrophobicContact CG-CE1 4.48Å; P325-F351 HydrophobicContact CG-CE2 4.38Å; P325-F351 HydrophobicContact CG-CZ 3.92Å; P325-Y356 HydrophobicContact CG-CE1 4.4Å | ||
| 326 | W | 90.6 | Very high | 87 | Confident | 70 Ų | 70 | 51.4 Ų | 51.4 | 27% | 0.265 | 27% | 0.269 | S | S | . | . | trans | -59.6 | 140.9 | 175.4 | 178.1 | 92 | 0 | 0 | 0 | 111.6 | N281 H283 C314 E315 Q316 P328 | N281-W326 HydrophobicContact CB-CH2 3.95Å; N281-W326 HydrophobicContact CB-CZ2 3.57Å; H283-W326 AromaticContact CD2-NE1 3.89Å; H283-W326 AromaticContact NE2-NE1 3.8Å; C314-W326 VanDerWaalsContact O-CE2 3.3Å; C314-W326 WeakPolarHBondContact O-CZ2 3.24Å; C314-W326 PolarHBondContact O-NE1 3.45Å; E315-W326 VanDerWaalsContact C-CE2 3.46Å; E315-W326 VanDerWaalsContact O-CD2 3.24Å; Q316-W326 VanDerWaalsContact C-CD1 3.47Å; W326-P328 HydrophobicContact CH2-CB 4.1Å; W326-P328 HydrophobicContact CZ2-CB 4.48Å | ||
| 327 | Q | 89.2 | Confident | 87.1 | Confident | 105 Ų | 105 | 46.7 Ų | 46.7 | 49% | 0.491 | 25% | 0.247 | S | C | . | . | trans | -144.5 | 147.5 | 172.1 | -66.2 | -158.5 | -61.4 | 0 | 0 | 110.3 | H283 N335 | H283-Q327 PolarHBondContact NE2-O 3.02Å; Q327-N335 HydrophobicContact CB-CB 4.16Å; Q327-N335 WeakPolarHBondContact O-CB 3.35Å | ||
| 328 | P | 88.7 | Confident | 86.9 | Confident | 44 Ų | 44 | 49.8 Ų | 49.8 | 29% | 0.286 | 26% | 0.262 | S | S | . | . | trans | -65.8 | 147.8 | 177.5 | 28.6 | -35.3 | 0 | 0 | 0 | 111.6 | N281 W326 N335 | N281-P328 HydrophobicContact CB-CB 4.22Å; W326-P328 HydrophobicContact CH2-CB 4.1Å; W326-P328 HydrophobicContact CZ2-CB 4.48Å; P328-N335 PolarHBondContact O-ND2 2.86Å | ||
| 329 | A | 88.7 | Confident | 86.8 | Confident | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.008 | 26% | 0.264 | C | S | . | . | trans | -74.5 | 142.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | M42 N281 G282 H283 A334 | M42-A329 HydrophobicContact CB-CB 4.08Å; M42-A329 HydrophobicContact CG-CB 4.15Å; N281-A329 PolarHBondContact O-N 3.39Å; G282-A329 WeakPolarHBondContact O-CB 3.3Å; H283-A329 PolarHBondContact NE2-N 3.4Å; A329-A334 VanDerWaalsContact CB-O 3.27Å; A329-A334 WeakPolarHBondContact CB-O 2.91Å | ||
| 330 | T | 84 | Confident | 86.8 | Confident | 29 Ų | 29 | 45.3 Ų | 45.3 | 18% | 0.178 | 24% | 0.243 | C | C | . | . | B | Isolated β-bridge | trans | -127.2 | 161.6 | 179.2 | 61.3 | 0 | 0 | 0 | 0 | 110.1 | M42 Q332 N333 | M42-T330 VanDerWaalsContact SD-CA 3.55Å; T330-Q332 PolarHBondContact O-N 3.2Å; T330-N333 PolarHBondContact N-O 3.34Å; T330-N333 CarbonylContact O-C 3.51Å; T330-N333 PolarHBondContact O-N 3.34Å; T330-N333 VanDerWaalsContact O-O 3.07Å; T330-N333 PolarHBondContact OG1-N 3.12Å; T330-N333 PolarHBondContact OG1-O 2.95Å; T330-N333 VanDerWaalsContact OG1-O 3.13Å |
| 331 | P | 77.9 | Confident | 86.7 | Confident | 59 Ų | 59 | 48.9 Ų | 48.9 | 38% | 0.383 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -17.1 | -178.3 | -20.4 | 31.5 | 0 | 0 | 0 | 113.1 | M42 F227 | M42-P331 HydrophobicContact CE-CG 4.19Å; M42-P331 HydrophobicContact SD-CB 4.26Å; M42-P331 WeakPolarHBondContact SD-CD 3.21Å; M42-P331 HydrophobicContact SD-CG 3.6Å; F227-P331 HydrophobicContact CB-CG 4.31Å; F227-P331 HydrophobicContact CD2-CG 4.26Å |
| 332 | Q | 80.1 | Confident | 86.4 | Confident | 115 Ų | 115 | 46.1 Ų | 46.1 | 54% | 0.537 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | -26.3 | 176.4 | -65 | 77 | 48.9 | 0 | 0 | 113.2 | N228 T330 | N228-Q332 PolarHBondContact ND2-OE1 2.99Å; T330-Q332 PolarHBondContact O-N 3.2Å |
| 333 | N | 85.7 | Confident | 86.1 | Confident | 78 Ų | 78 | 46.9 Ų | 46.9 | 42% | 0.417 | 26% | 0.255 | S | S | . | . | B | Isolated β-bridge | trans | -151.1 | 120.6 | -176.3 | -173.5 | -5.3 | 0 | 0 | 0 | 111.3 | T330 N335 | T330-N333 PolarHBondContact N-O 3.34Å; T330-N333 CarbonylContact O-C 3.51Å; T330-N333 PolarHBondContact O-N 3.34Å; T330-N333 VanDerWaalsContact O-O 3.07Å; T330-N333 PolarHBondContact OG1-N 3.12Å; T330-N333 PolarHBondContact OG1-O 2.95Å; T330-N333 VanDerWaalsContact OG1-O 3.13Å; N333-N335 PolarHBondContact ND2-OD1 2.94Å; N333-N335 PolarHBondContact O-N 3.17Å; N333-N335 PolarHBondContact O-ND2 3.23Å; N333-N335 PolarHBondContact OD1-N 3.41Å; N333-N335 VanDerWaalsContact OD1-N 3.09Å; N333-N335 PolarHBondContact OD1-OD1 2.9Å |
| 334 | A | 87.7 | Confident | 85.8 | Confident | 9 Ų | 9 | 48.6 Ų | 48.6 | 7% | 0.074 | 28% | 0.278 | C | S | . | . | trans | -69.9 | -15.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | P40 H283 H307 A329 P336 | P40-A334 HydrophobicContact CB-CB 4.07Å; P40-A334 WeakPolarHBondContact O-CB 3.41Å; H283-A334 PolarHBondContact CE1-O 3.5Å; H307-A334 PolarHBondContact CE1-O 3.08Å; H307-A334 PolarHBondContact ND1-O 2.88Å; H307-A334 VanDerWaalsContact ND1-O 3.09Å; A329-A334 VanDerWaalsContact CB-O 3.27Å; A329-A334 WeakPolarHBondContact CB-O 2.91Å; A334-P336 VanDerWaalsContact C-CD 3.45Å | ||
| 335 | N | 90.5 | Very high | 85.6 | Confident | 14 Ų | 14 | 46.7 Ų | 46.7 | 8% | 0.075 | 27% | 0.271 | C | S | . | . | trans | 45.7 | 50.9 | 178.3 | -66.8 | -36.9 | 0 | 0 | 0 | 115.4 | H283 Q327 P328 N333 | H283-N335 PolarHBondContact CE1-O 3.28Å; Q327-N335 HydrophobicContact CB-CB 4.16Å; Q327-N335 WeakPolarHBondContact O-CB 3.35Å; P328-N335 PolarHBondContact O-ND2 2.86Å; N333-N335 PolarHBondContact ND2-OD1 2.94Å; N333-N335 PolarHBondContact O-N 3.17Å; N333-N335 PolarHBondContact O-ND2 3.23Å; N333-N335 PolarHBondContact OD1-N 3.41Å; N333-N335 VanDerWaalsContact OD1-N 3.09Å; N333-N335 PolarHBondContact OD1-OD1 2.9Å | ||
| 336 | P | 91.6 | Very high | 85.5 | Confident | 27 Ų | 27 | 44.8 Ų | 44.8 | 18% | 0.175 | 26% | 0.261 | C | S | . | . | trans | -67.9 | 145.3 | 178.5 | 30.4 | -37.6 | 0 | 0 | 0 | 112.2 | P40 H307 R324 A334 | P40-P336 HydrophobicContact CG-CB 4.19Å; P40-P336 HydrophobicContact CG-CG 3.91Å; H307-P336 CarbonylContact O-C 3.58Å; H307-P336 WeakPolarHBondContact O-CA 3.37Å; R324-P336 PolarHBondContact NE-O 2.92Å; R324-P336 PolarHBondContact NH2-O 3.39Å; A334-P336 VanDerWaalsContact C-CD 3.45Å | ||
| 337 | C | 91.9 | Very high | 85 | Confident | 5 Ų | 5 | 49.1 Ų | 49.1 | 3% | 0.034 | 28% | 0.283 | C | S | . | . | trans | -67.7 | 148.3 | 171.4 | -68.3 | 0 | 0 | 0 | 0 | 111.4 | H307 H308 C317 | H307-C337 PolarHBondContact O-N 2.87Å; H308-C337 HydrophobicContact CB-CB 4.11Å; H308-C337 WeakPolarHBondContact O-CB 2.93Å; C317-C337 WeakPolarHBondContact CA-SG 3.09Å; C317-C337 HydrophobicContact CB-CB 3.65Å; C317-C337 WeakPolarHBondContact CB-SG 3.02Å; C317-C337 WeakPolarHBondContact SG-CB 3.08Å; C317-C337 CovalentContact SG-SG 2.04Å; C317-C337 PolarHBondContact SG-SG 2.89Å | ||
| 338 | I | 88.1 | Confident | 84.6 | Confident | 71 Ų | 71 | 49 Ų | 49 | 36% | 0.364 | 29% | 0.285 | S | S | . | . | B | Isolated β-bridge | trans | -114.2 | 130.6 | -171.9 | -59.3 | 178 | 0 | 0 | 0 | 109.5 | Y321 H322 D323 R324 | Y321-I338 CarbonylContact C-O 3.5Å; Y321-I338 WeakPolarHBondContact CA-O 3.09Å; H322-I338 PolarHBondContact N-O 2.95Å; D323-I338 HydrophobicContact CB-CB 4.09Å; D323-I338 HydrophobicContact CB-CG2 3.94Å; D323-I338 PolarHBondContact N-O 2.87Å; D323-I338 VanDerWaalsContact N-O 3.14Å; R324-I338 HydrophobicContact CB-CD1 4.24Å |
| 339 | A | 87.4 | Confident | 84.4 | Confident | 50 Ų | 50 | 47.2 Ų | 47.2 | 41% | 0.413 | 27% | 0.274 | S | S | . | . | trans | -55.5 | 140.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | G320 Y321 N341 | G320-A339 CarbonylContact O-C 3.53Å; G320-A339 WeakPolarHBondContact O-CA 3.38Å; Y321-A339 VanDerWaalsContact CD1-CA 3.49Å; Y321-A339 HydrophobicContact CD1-CB 3.8Å; Y321-A339 VanDerWaalsContact CD1-N 3.33Å; Y321-A339 HydrophobicContact CE1-CB 3.74Å; A339-N341 PolarHBondContact O-N 2.95Å | ||
| 340 | C | 84 | Confident | 83.9 | Confident | 21 Ų | 21 | 52.9 Ų | 52.9 | 14% | 0.142 | 30% | 0.3 | C | S | . | . | trans | -57.5 | 130.8 | 173.5 | -65.7 | 0 | 0 | 0 | 0 | 110.9 | G320 C342 C349 | G320-C340 PolarHBondContact O-N 3.06Å; G320-C340 PolarHBondContact O-SG 2.94Å; C340-C342 PolarHBondContact O-N 3.33Å; C340-C349 HydrophobicContact CB-CB 3.66Å; C340-C349 WeakPolarHBondContact CB-SG 3.09Å; C340-C349 WeakPolarHBondContact SG-CB 3.23Å; C340-C349 PolarHBondContact SG-N 3.26Å; C340-C349 VanDerWaalsContact SG-N 3.42Å; C340-C349 CovalentContact SG-SG 2.02Å; C340-C349 PolarHBondContact SG-SG 2.99Å | ||
| 341 | N | 83.4 | Confident | 83.9 | Confident | 85 Ų | 85 | 54.6 Ų | 54.6 | 46% | 0.455 | 31% | 0.305 | S | S | . | . | trans | -93.2 | 76.2 | 176.1 | -173.4 | 11.8 | 0 | 0 | 0 | 112 | A339 S363 N376 | A339-N341 PolarHBondContact O-N 2.95Å; N341-S363 PolarHBondContact N-OG 2.77Å; N341-N376 WeakPolarHBondContact O-CB 3.21Å; N341-N376 VanDerWaalsContact O-CG 3.3Å; N341-N376 PolarHBondContact O-OD1 2.83Å | ||
| 342 | C | 83.7 | Confident | 84.1 | Confident | 2 Ų | 2 | 53.8 Ų | 53.8 | 1% | 0.014 | 30% | 0.298 | C | S | . | . | trans | -101.4 | 22.2 | -178.1 | -61.6 | 0 | 0 | 0 | 0 | 114.4 | C340 G344 N345 A346 C365 N376 | C340-C342 PolarHBondContact O-N 3.33Å; C342-G344 PolarHBondContact O-N 2.78Å; C342-N345 PolarHBondContact O-N 2.9Å; C342-A346 HydrophobicContact CB-CB 3.93Å; C342-A346 WeakPolarHBondContact CB-O 3.5Å; C342-C365 WeakPolarHBondContact CA-SG 3.05Å; C342-C365 HydrophobicContact CB-CB 3.89Å; C342-C365 WeakPolarHBondContact CB-SG 3.45Å; C342-C365 WeakPolarHBondContact SG-CB 3.49Å; C342-C365 CovalentContact SG-SG 2.02Å; C342-C365 PolarHBondContact SG-SG 3.21Å; C342-N376 CarbonylContact C-O 3.43Å; C342-N376 WeakPolarHBondContact CA-O 3.31Å | ||
| 343 | N | 79.6 | Confident | 84 | Confident | 73 Ų | 73 | 52.2 Ų | 52.2 | 39% | 0.39 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.6 | 27.3 | -176.3 | -62.9 | -67.5 | 0 | 0 | 0 | 114.1 | N345 N376 T392 | N343-N345 PolarHBondContact O-N 3.32Å; N343-N376 PolarHBondContact ND2-O 3.05Å; N343-T392 WeakPolarHBondContact O-CG2 3.4Å |
| 344 | G | 78.1 | Confident | 83.7 | Confident | 58 Ų | 58 | 55.2 Ų | 55.2 | 60% | 0.598 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.1 | 8.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | C342 | C342-G344 PolarHBondContact O-N 2.78Š|
| 345 | N | 81.8 | Confident | 83.3 | Confident | 12 Ų | 12 | 55.4 Ų | 55.4 | 6% | 0.064 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -96.8 | -14.7 | -179.9 | -76.8 | -32.8 | 0 | 0 | 0 | 114.5 | C342 N343 G369 N370 T372 C377 T392 | C342-N345 PolarHBondContact O-N 2.9Å; N343-N345 PolarHBondContact O-N 3.32Å; N345-G369 WeakPolarHBondContact O-CA 3.38Å; N345-G369 PolarHBondContact O-N 2.87Å; N345-N370 PolarHBondContact OD1-ND2 3.48Å; N345-T372 WeakPolarHBondContact ND2-CG2 3.28Å; N345-C377 HydrophobicContact CB-CB 3.58Å; N345-C377 PolarHBondContact ND2-O 3.03Å; N345-T392 WeakPolarHBondContact ND2-CA 3.45Å; N345-T392 PolarHBondContact ND2-O 3.25Å; N345-T392 VanDerWaalsContact OD1-CB 3.3Å; N345-T392 WeakPolarHBondContact OD1-CB 3.15Å; N345-T392 PolarHBondContact OD1-O 3.05Å |
| 346 | A | 83.3 | Confident | 82.8 | Confident | 13 Ų | 13 | 58.5 Ų | 58.5 | 11% | 0.107 | 32% | 0.32 | C | S | . | . | trans | -141.8 | 153.4 | 167.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | C342 C365 I366 | C342-A346 HydrophobicContact CB-CB 3.93Å; C342-A346 WeakPolarHBondContact CB-O 3.5Å; A346-C365 HydrophobicContact CB-CB 4.17Å; A346-I366 WeakPolarHBondContact CB-O 3.33Å | ||
| 347 | H | 79.6 | Confident | 82.1 | Confident | 160 Ų | 160 | 62.1 Ų | 62.1 | 74% | 0.741 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -105.3 | -9.5 | 172.2 | -66.1 | -62.2 | 0 | 0 | 0 | 112.4 | G320 | G320-H347 WeakPolarHBondContact CA-O 3.33Š|
| 348 | L | 81.3 | Confident | 81.5 | Confident | 103 Ų | 103 | 69.6 Ų | 69.6 | 54% | 0.539 | 37% | 0.374 | S | S | . | . | trans | -114.5 | 132.9 | -176.8 | -73 | 135.8 | 0 | 0 | 0 | 109.3 | I366 | L348-I366 PolarHBondContact O-N 2.68Š| ||
| 349 | C | 83.2 | Confident | 81 | Confident | 6 Ų | 6 | 70.4 Ų | 70.4 | 4% | 0.041 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 151.2 | 171.2 | 73.4 | 0 | 0 | 0 | 0 | 110.7 | H322 C340 S363 R364 | H322-C349 PolarHBondContact ND1-O 3.48Å; C340-C349 HydrophobicContact CB-CB 3.66Å; C340-C349 WeakPolarHBondContact CB-SG 3.09Å; C340-C349 WeakPolarHBondContact SG-CB 3.23Å; C340-C349 PolarHBondContact SG-N 3.26Å; C340-C349 VanDerWaalsContact SG-N 3.42Å; C340-C349 CovalentContact SG-SG 2.02Å; C340-C349 PolarHBondContact SG-SG 2.99Å; C349-S363 WeakPolarHBondContact SG-CB 3.42Å; C349-R364 CarbonylContact C-O 3.54Å; C349-R364 WeakPolarHBondContact CA-O 3.14Å; C349-R364 WeakPolarHBondContact CB-O 3.43Å |
| 350 | E | 79.7 | Confident | 80.3 | Confident | 120 Ų | 120 | 70.4 Ų | 70.4 | 56% | 0.561 | 39% | 0.386 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 146 | 165.8 | -90.8 | 165.5 | -156.8 | 0 | 0 | 109.8 | R364 I366 | E350-R364 PolarHBondContact N-O 2.8Å; E350-R364 PolarHBondContact O-N 3.45Å; E350-I366 HydrophobicContact CB-CD1 4.36Å; E350-I366 HydrophobicContact CG-CD1 3.69Å; E350-I366 HydrophobicContact CG-CG1 4.31Å |
| 351 | F | 83.2 | Confident | 80 | Confident | 66 Ų | 66 | 70.6 Ų | 70.6 | 29% | 0.289 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 124.8 | 175.6 | 177.5 | -102.7 | 0 | 0 | 0 | 111 | H322 P325 P353 Y356 G362 | H322-F351 HydrophobicContact CB-CB 4.32Å; H322-F351 WeakPolarHBondContact O-CD2 3.24Å; P325-F351 HydrophobicContact CB-CE1 4.13Å; P325-F351 HydrophobicContact CB-CE2 4.48Å; P325-F351 HydrophobicContact CB-CZ 4Å; P325-F351 VanDerWaalsContact CD-CE2 3.45Å; P325-F351 VanDerWaalsContact CD-CZ 3.46Å; P325-F351 HydrophobicContact CG-CE1 4.48Å; P325-F351 HydrophobicContact CG-CE2 4.38Å; P325-F351 HydrophobicContact CG-CZ 3.92Å; F351-P353 HydrophobicContact CD1-CG 4.19Å; F351-P353 HydrophobicContact CE1-CB 4.11Å; F351-P353 HydrophobicContact CE1-CG 3.92Å; F351-Y356 AromaticContact CE2-CD2 3.87Å; F351-Y356 HydrophobicContact CE2-CD2 3.87Å; F351-Y356 AromaticContact CE2-CG 3.79Å; F351-Y356 HydrophobicContact CE2-CG 3.79Å; F351-Y356 HydrophobicContact CZ-CD1 4.23Å; F351-Y356 HydrophobicContact CZ-CD2 4.36Å; F351-Y356 AromaticContact CZ-CG 3.84Å; F351-Y356 HydrophobicContact CZ-CG 3.84Å; F351-G362 CarbonylContact C-O 3.5Å; F351-G362 WeakPolarHBondContact CA-O 3.45Å |
| 352 | D | 82.3 | Confident | 79.8 | Confident | 41 Ų | 41 | 66.5 Ų | 66.5 | 22% | 0.219 | 37% | 0.366 | C | S | . | . | trans | -105.6 | 108.4 | 174.8 | -174.9 | -31.1 | 0 | 0 | 0 | 110.1 | E354 L355 Y356 G362 | D352-E354 VanDerWaalsContact C-N 3.32Å; D352-E354 PolarHBondContact O-N 3Å; D352-E354 PolarHBondContact OD1-N 3.38Å; D352-L355 HydrophobicContact CB-CB 3.76Å; D352-L355 HydrophobicContact CB-CD2 4.5Å; D352-L355 PolarHBondContact O-N 3.28Å; D352-L355 PolarHBondContact OD1-N 3.15Å; D352-L355 VanDerWaalsContact OD1-N 3.1Å; D352-Y356 PolarHBondContact O-N 3.43Å; D352-G362 PolarHBondContact N-O 2.9Å | ||
| 353 | P | 78.9 | Confident | 79.6 | Confident | 82 Ų | 82 | 66.4 Ų | 66.4 | 53% | 0.532 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -62.3 | -33.4 | -178.1 | -20.9 | 31.4 | 0 | 0 | 0 | 114.3 | F351 S357 | F351-P353 HydrophobicContact CD1-CG 4.19Å; F351-P353 HydrophobicContact CE1-CB 4.11Å; F351-P353 HydrophobicContact CE1-CG 3.92Å; P353-S357 PolarHBondContact O-N 2.96Å; P353-S357 PolarHBondContact O-OG 2.92Å |
| 354 | E | 79.1 | Confident | 79.9 | Confident | 142 Ų | 142 | 69.2 Ų | 69.2 | 66% | 0.664 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -73.9 | -37.4 | 179.1 | -71 | -169.5 | 172.8 | 0 | 0 | 110.8 | D352 S357 R358 | D352-E354 VanDerWaalsContact C-N 3.32Å; D352-E354 PolarHBondContact O-N 3Å; D352-E354 PolarHBondContact OD1-N 3.38Å; E354-S357 PolarHBondContact O-N 2.01Å; E354-R358 WeakPolarHBondContact O-CG 3.21Å; E354-R358 PolarHBondContact O-N 3.07Å |
| 355 | L | 79.7 | Confident | 80.3 | Confident | 13 Ų | 13 | 67 Ų | 67 | 7% | 0.068 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -65 | -44.2 | 175.4 | -171.1 | 65.2 | 0 | 0 | 0 | 111.7 | D352 S357 R358 T359 S361 L375 | D352-L355 HydrophobicContact CB-CB 3.76Å; D352-L355 HydrophobicContact CB-CD2 4.5Å; D352-L355 PolarHBondContact O-N 3.28Å; D352-L355 PolarHBondContact OD1-N 3.15Å; D352-L355 VanDerWaalsContact OD1-N 3.1Å; L355-S357 VanDerWaalsContact C-N 3.34Å; L355-S357 PolarHBondContact O-N 2.75Å; L355-R358 PolarHBondContact O-N 2.74Å; L355-T359 HydrophobicContact CD1-CG2 4.07Å; L355-T359 PolarHBondContact O-N 3.37Å; L355-T359 PolarHBondContact O-OG1 3.23Å; L355-S361 CarbonylContact C-O 3.55Å; L355-S361 VanDerWaalsContact C-O 3.31Å; L355-S361 WeakPolarHBondContact CG-O 3.36Å; L355-L375 HydrophobicContact CD1-CD1 4.24Å; L355-L375 HydrophobicContact CD2-CD1 4.45Å |
| 356 | Y | 79.8 | Confident | 80.2 | Confident | 78 Ų | 78 | 69.3 Ų | 69.3 | 31% | 0.306 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -60.1 | -43.6 | 176.9 | -174.6 | -101.9 | 0 | 0 | 0 | 111.8 | D323 R324 P325 F351 D352 R358 G360 S361 | D323-Y356 WeakPolarHBondContact O-CD2 3.39Å; R324-Y356 HydrophobicContact CB-CE2 3.94Å; P325-Y356 HydrophobicContact CG-CE1 4.4Å; F351-Y356 AromaticContact CE2-CD2 3.87Å; F351-Y356 HydrophobicContact CE2-CD2 3.87Å; F351-Y356 AromaticContact CE2-CG 3.79Å; F351-Y356 HydrophobicContact CE2-CG 3.79Å; F351-Y356 HydrophobicContact CZ-CD1 4.23Å; F351-Y356 HydrophobicContact CZ-CD2 4.36Å; F351-Y356 AromaticContact CZ-CG 3.84Å; F351-Y356 HydrophobicContact CZ-CG 3.84Å; D352-Y356 PolarHBondContact O-N 3.43Å; Y356-R358 VanDerWaalsContact C-N 3.28Å; Y356-R358 PolarHBondContact O-N 3.02Å; Y356-G360 WeakPolarHBondContact CD2-O 3.48Å; Y356-G360 WeakPolarHBondContact CE2-O 3.36Å; Y356-G360 VanDerWaalsContact O-CA 3.26Å; Y356-G360 WeakPolarHBondContact O-CA 3.44Å; Y356-G360 PolarHBondContact O-N 2.95Å; Y356-S361 WeakPolarHBondContact CA-O 3.37Å; Y356-S361 PolarHBondContact N-O 2.91Å |
| 357 | S | 77.2 | Confident | 79.9 | Confident | 104 Ų | 104 | 75.9 Ų | 75.9 | 73% | 0.727 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -63.7 | -32.5 | 178.7 | -59.2 | 0 | 0 | 0 | 0 | 112.9 | P353 E354 L355 | P353-S357 PolarHBondContact O-N 2.96Å; P353-S357 PolarHBondContact O-OG 2.92Å; E354-S357 PolarHBondContact O-N 2.01Å; L355-S357 VanDerWaalsContact C-N 3.34Å; L355-S357 PolarHBondContact O-N 2.75Å |
| 358 | R | 77.8 | Confident | 80.1 | Confident | 162 Ų | 162 | 69.4 Ų | 69.4 | 61% | 0.611 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -85.6 | -34.3 | 179.9 | -67.9 | -169.5 | -41.4 | -101.6 | -3.2 | 114.1 | E354 L355 Y356 | E354-R358 WeakPolarHBondContact O-CG 3.21Å; E354-R358 PolarHBondContact O-N 3.07Å; L355-R358 PolarHBondContact O-N 2.74Å; Y356-R358 VanDerWaalsContact C-N 3.28Å; Y356-R358 PolarHBondContact O-N 3.02Å |
| 359 | T | 77.8 | Confident | 80.2 | Confident | 88 Ų | 88 | 65.8 Ų | 65.8 | 54% | 0.54 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -121.6 | -12.7 | -166.9 | 68.9 | 0 | 0 | 0 | 0 | 114.3 | L355 S361 | L355-T359 HydrophobicContact CD1-CG2 4.07Å; L355-T359 PolarHBondContact O-N 3.37Å; L355-T359 PolarHBondContact O-OG1 3.23Å; T359-S361 PolarHBondContact O-N 3.01Å; T359-S361 PolarHBondContact OG1-N 3.27Å; T359-S361 PolarHBondContact OG1-O 3.48Å |
| 360 | G | 72.8 | Confident | 80.2 | Confident | 49 Ų | 49 | 69 Ų | 69 | 51% | 0.505 | 37% | 0.368 | S | S | . | . | S | Bend | trans | 77.4 | -3.4 | -170.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y356 | Y356-G360 WeakPolarHBondContact CD2-O 3.48Å; Y356-G360 WeakPolarHBondContact CE2-O 3.36Å; Y356-G360 VanDerWaalsContact O-CA 3.26Å; Y356-G360 WeakPolarHBondContact O-CA 3.44Å; Y356-G360 PolarHBondContact O-N 2.95Å |
| 361 | S | 77.3 | Confident | 80.4 | Confident | 25 Ų | 25 | 66.1 Ų | 66.1 | 18% | 0.175 | 36% | 0.356 | C | S | . | . | trans | -123.1 | 126.1 | 177.1 | 166.5 | 0 | 0 | 0 | 0 | 108.7 | D323 L355 Y356 T359 | D323-S361 WeakPolarHBondContact OD1-CA 3.38Å; D323-S361 WeakPolarHBondContact OD1-CB 3Å; D323-S361 PolarHBondContact OD1-OG 3.41Å; L355-S361 CarbonylContact C-O 3.55Å; L355-S361 VanDerWaalsContact C-O 3.31Å; L355-S361 WeakPolarHBondContact CG-O 3.36Å; Y356-S361 WeakPolarHBondContact CA-O 3.37Å; Y356-S361 PolarHBondContact N-O 2.91Å; T359-S361 PolarHBondContact O-N 3.01Å; T359-S361 PolarHBondContact OG1-N 3.27Å; T359-S361 PolarHBondContact OG1-O 3.48Å | ||
| 362 | G | 79.4 | Confident | 80.5 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 34% | 0.343 | C | S | . | . | trans | -103.7 | 2.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | D323 F351 D352 R364 | D323-G362 PolarHBondContact O-N 3.39Å; D323-G362 PolarHBondContact OD1-N 3.03Å; F351-G362 CarbonylContact C-O 3.5Å; F351-G362 WeakPolarHBondContact CA-O 3.45Å; D352-G362 PolarHBondContact N-O 2.9Å; G362-R364 PolarHBondContact O-N 2.99Å | ||
| 363 | S | 79.8 | Confident | 80.5 | Confident | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 126.8 | -171.7 | 40.2 | 0 | 0 | 0 | 0 | 113.1 | D323 N341 C349 N376 | D323-S363 WeakPolarHBondContact OD1-CB 3.42Å; D323-S363 PolarHBondContact OD1-N 3.35Å; D323-S363 PolarHBondContact OD1-OG 2.97Å; N341-S363 PolarHBondContact N-OG 2.77Å; C349-S363 WeakPolarHBondContact SG-CB 3.42Å; S363-N376 PolarHBondContact O-OD1 3.43Å |
| 364 | R | 85.1 | Confident | 80.7 | Confident | 131 Ų | 131 | 61.7 Ų | 61.7 | 49% | 0.494 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 111.1 | 168.5 | 178.1 | -179.2 | -180 | 169.8 | -1.7 | 109.3 | C349 E350 G362 L375 | C349-R364 CarbonylContact C-O 3.54Å; C349-R364 WeakPolarHBondContact CA-O 3.14Å; C349-R364 WeakPolarHBondContact CB-O 3.43Å; E350-R364 PolarHBondContact N-O 2.8Å; E350-R364 PolarHBondContact O-N 3.45Å; G362-R364 PolarHBondContact O-N 2.99Å; R364-L375 HydrophobicContact CG-CD2 4.11Å |
| 365 | C | 86.8 | Confident | 80.8 | Confident | 13 Ų | 13 | 58.4 Ų | 58.4 | 9% | 0.088 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 141.4 | -172 | -58.2 | 0 | 0 | 0 | 0 | 113 | C342 A346 L375 C377 | C342-C365 WeakPolarHBondContact CA-SG 3.05Å; C342-C365 HydrophobicContact CB-CB 3.89Å; C342-C365 WeakPolarHBondContact CB-SG 3.45Å; C342-C365 WeakPolarHBondContact SG-CB 3.49Å; C342-C365 CovalentContact SG-SG 2.02Å; C342-C365 PolarHBondContact SG-SG 3.21Å; A346-C365 HydrophobicContact CB-CB 4.17Å; C365-L375 PolarHBondContact N-O 3.05Å; C365-C377 WeakPolarHBondContact CB-SG 2.97Å |
| 366 | I | 80.7 | Confident | 80.9 | Confident | 60 Ų | 60 | 59.7 Ų | 59.7 | 31% | 0.308 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -107.5 | 138.7 | -179.8 | -48.6 | 169.7 | 0 | 0 | 0 | 108.5 | A346 L348 E350 | A346-I366 WeakPolarHBondContact CB-O 3.33Å; L348-I366 PolarHBondContact O-N 2.68Å; E350-I366 HydrophobicContact CB-CD1 4.36Å; E350-I366 HydrophobicContact CG-CD1 3.69Å; E350-I366 HydrophobicContact CG-CG1 4.31Å |
| 367 | D | 77.2 | Confident | 81.2 | Confident | 151 Ų | 151 | 56 Ų | 56 | 81% | 0.807 | 32% | 0.315 | S | S | * | . | S | Bend | trans | 51 | 60 | 179.2 | -71 | -23.9 | 0 | 0 | 0 | 114 | G369 | D367-G369 PolarHBondContact O-N 2.81Š|
| 368 | C | 82.6 | Confident | 81.4 | Confident | 24 Ų | 24 | 55.9 Ų | 55.9 | 16% | 0.162 | 30% | 0.303 | C | S | . | . | trans | -51.4 | 111.9 | 172.9 | -67.8 | 0 | 0 | 0 | 0 | 111.7 | T372 C377 | C368-T372 VanDerWaalsContact CB-O 3.26Å; C368-T372 WeakPolarHBondContact CB-O 3.42Å; C368-T372 WeakPolarHBondContact CB-OG1 3.44Å; C368-C377 WeakPolarHBondContact CA-SG 3.48Å; C368-C377 HydrophobicContact CB-CB 3.71Å; C368-C377 WeakPolarHBondContact CB-SG 3.41Å; C368-C377 WeakPolarHBondContact SG-CA 3.49Å; C368-C377 WeakPolarHBondContact SG-CB 3.32Å; C368-C377 CovalentContact SG-SG 2.04Å; C368-C377 PolarHBondContact SG-SG 2.88Å | ||
| 369 | G | 83 | Confident | 81.7 | Confident | 27 Ų | 27 | 55 Ų | 55 | 28% | 0.278 | 30% | 0.299 | S | S | . | . | trans | -74.3 | 179.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | N345 D367 N371 T372 | N345-G369 WeakPolarHBondContact O-CA 3.38Å; N345-G369 PolarHBondContact O-N 2.87Å; D367-G369 PolarHBondContact O-N 2.81Å; G369-N371 PolarHBondContact O-N 3.32Å; G369-N371 VanDerWaalsContact O-N 3.09Å; G369-T372 PolarHBondContact O-N 2.96Å; G369-T372 PolarHBondContact O-OG1 3.35Å | ||
| 370 | N | 84.4 | Confident | 81.9 | Confident | 72 Ų | 72 | 52 Ų | 52 | 39% | 0.385 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52 | 35.3 | 174.4 | -51.6 | -40.1 | 0 | 0 | 0 | 115.6 | N345 T372 T393 C394 | N345-N370 PolarHBondContact OD1-ND2 3.48Å; N370-T372 PolarHBondContact O-N 2.97Å; N370-T393 HydrophobicContact CB-CG2 3.99Å; N370-T393 PolarHBondContact ND2-OG1 2.74Å; N370-C394 WeakPolarHBondContact O-CB 3.32Å; N370-C394 PolarHBondContact O-N 3.12Å |
| 371 | N | 83 | Confident | 82.3 | Confident | 60 Ų | 60 | 53.9 Ų | 53.9 | 32% | 0.321 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.3 | 28.3 | -178.4 | -50 | -51 | 0 | 0 | 0 | 114.1 | G369 K381 Y384 C394 | G369-N371 PolarHBondContact O-N 3.32Å; G369-N371 VanDerWaalsContact O-N 3.09Å; N371-K381 WeakPolarHBondContact O-CG 2.98Å; N371-K381 PolarHBondContact O-N 3.31Å; N371-Y384 HydrophobicContact CB-CD1 3.84Å; N371-Y384 HydrophobicContact CB-CE1 4.26Å; N371-Y384 HydrophobicContact CB-CG 4.02Å; N371-Y384 WeakPolarHBondContact ND2-CE1 3.35Å; N371-C394 HydrophobicContact CB-CB 3.97Å; N371-C394 PolarHBondContact ND2-O 2.72Å |
| 372 | T | 86.3 | Confident | 82.2 | Confident | 3 Ų | 3 | 58.4 Ų | 58.4 | 2% | 0.018 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 161.6 | 172.6 | 61.8 | 0 | 0 | 0 | 0 | 112.6 | N345 C368 G369 N370 R379 K381 T392 | N345-T372 WeakPolarHBondContact ND2-CG2 3.28Å; C368-T372 VanDerWaalsContact CB-O 3.26Å; C368-T372 WeakPolarHBondContact CB-O 3.42Å; C368-T372 WeakPolarHBondContact CB-OG1 3.44Å; G369-T372 PolarHBondContact O-N 2.96Å; G369-T372 PolarHBondContact O-OG1 3.35Å; N370-T372 PolarHBondContact O-N 2.97Å; T372-R379 CarbonylContact C-O 3.58Å; T372-R379 WeakPolarHBondContact CA-O 3.26Å; T372-R379 WeakPolarHBondContact CB-O 3.43Å; T372-K381 VanDerWaalsContact O-CE 3.27Å; T372-K381 WeakPolarHBondContact O-CE 3.43Å; T372-T392 WeakPolarHBondContact CG2-O 3.4Å |
| 373 | E | 82.4 | Confident | 81.9 | Confident | 66 Ų | 66 | 60.7 Ų | 60.7 | 31% | 0.308 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 171.4 | 174.3 | 63.8 | 166.1 | -130.9 | 0 | 0 | 109.6 | C377 E378 R379 K381 | E373-C377 CarbonylContact O-C 3.47Å; E373-E378 PolarHBondContact O-N 3.36Å; E373-R379 HydrophobicContact CG-CG 3.78Å; E373-R379 PolarHBondContact N-O 3Å; E373-R379 WeakPolarHBondContact O-CG 3.23Å; E373-R379 PolarHBondContact O-N 2.95Å; E373-R379 VanDerWaalsContact O-O 3.09Å; E373-R379 IonicContact OE1-CZ 2.76Å; E373-R379 VanDerWaalsContact OE1-CZ 3.3Å; E373-R379 IonicContact OE1-NE 3.55Å; E373-R379 PolarHBondContact OE1-NE 3.38Å; E373-R379 IonicContact OE1-NH2 3.52Å; E373-R379 PolarHBondContact OE1-NH2 3.05Å; E373-K381 HydrophobicContact CB-CG 4.25Å; E373-K381 HydrophobicContact CG-CG 4.31Å |
| 374 | G | 83.5 | Confident | 81.9 | Confident | 27 Ų | 27 | 65 Ų | 65 | 28% | 0.278 | 35% | 0.348 | S | S | . | . | S | Bend | trans | 114.1 | 173.4 | -176 | 0 | 0 | 0 | 0 | 0 | 112.9 | N376 C377 E378 | G374-N376 VanDerWaalsContact C-N 3.29Å; G374-N376 PolarHBondContact O-N 3.5Å; G374-C377 PolarHBondContact O-N 2.96Å; G374-E378 VanDerWaalsContact C-OE2 3.25Å; G374-E378 WeakPolarHBondContact CA-OE1 3.47Å; G374-E378 VanDerWaalsContact CA-OE2 3.32Å; G374-E378 WeakPolarHBondContact CA-OE2 3.15Å |
| 375 | L | 81.2 | Confident | 81.6 | Confident | 74 Ų | 74 | 60.3 Ų | 60.3 | 39% | 0.387 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -34.5 | -177.6 | -69.5 | 176 | 0 | 0 | 0 | 111.7 | L355 R364 C365 E378 | L355-L375 HydrophobicContact CD1-CD1 4.24Å; L355-L375 HydrophobicContact CD2-CD1 4.45Å; R364-L375 HydrophobicContact CG-CD2 4.11Å; C365-L375 PolarHBondContact N-O 3.05Å; L375-E378 PolarHBondContact N-OE1 2.87Å; L375-E378 PolarHBondContact N-OE2 2.7Å; L375-E378 VanDerWaalsContact N-OE2 3.08Å |
| 376 | N | 81.8 | Confident | 81.2 | Confident | 39 Ų | 39 | 62.2 Ų | 62.2 | 21% | 0.209 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.5 | 19.8 | -179.8 | -69.2 | -21.9 | 0 | 0 | 0 | 112 | N341 C342 N343 S363 G374 E378 | N341-N376 WeakPolarHBondContact O-CB 3.21Å; N341-N376 VanDerWaalsContact O-CG 3.3Å; N341-N376 PolarHBondContact O-OD1 2.83Å; C342-N376 CarbonylContact C-O 3.43Å; C342-N376 WeakPolarHBondContact CA-O 3.31Å; N343-N376 PolarHBondContact ND2-O 3.05Å; S363-N376 PolarHBondContact O-OD1 3.43Å; G374-N376 VanDerWaalsContact C-N 3.29Å; G374-N376 PolarHBondContact O-N 3.5Å; N376-E378 WeakPolarHBondContact CA-OE2 3.34Å; N376-E378 PolarHBondContact N-OE2 3.31Å; N376-E378 PolarHBondContact O-N 3.07Å |
| 377 | C | 85.2 | Confident | 80.8 | Confident | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.007 | 34% | 0.337 | C | S | . | . | S | Bend | trans | 55.5 | 39.9 | -173 | -51.3 | 0 | 0 | 0 | 0 | 113 | N345 C365 C368 E373 G374 | N345-C377 HydrophobicContact CB-CB 3.58Å; N345-C377 PolarHBondContact ND2-O 3.03Å; C365-C377 WeakPolarHBondContact CB-SG 2.97Å; C368-C377 WeakPolarHBondContact CA-SG 3.48Å; C368-C377 HydrophobicContact CB-CB 3.71Å; C368-C377 WeakPolarHBondContact CB-SG 3.41Å; C368-C377 WeakPolarHBondContact SG-CA 3.49Å; C368-C377 WeakPolarHBondContact SG-CB 3.32Å; C368-C377 CovalentContact SG-SG 2.04Å; C368-C377 PolarHBondContact SG-SG 2.88Å; E373-C377 CarbonylContact O-C 3.47Å; G374-C377 PolarHBondContact O-N 2.96Å |
| 378 | E | 81.8 | Confident | 80.4 | Confident | 101 Ų | 101 | 58.1 Ų | 58.1 | 47% | 0.472 | 33% | 0.327 | S | S | . | . | trans | -85.2 | -15.4 | -169.1 | 71 | -79.6 | -178.6 | 0 | 0 | 115 | E373 G374 L375 N376 | E373-E378 PolarHBondContact O-N 3.36Å; G374-E378 VanDerWaalsContact C-OE2 3.25Å; G374-E378 WeakPolarHBondContact CA-OE1 3.47Å; G374-E378 VanDerWaalsContact CA-OE2 3.32Å; G374-E378 WeakPolarHBondContact CA-OE2 3.15Å; L375-E378 PolarHBondContact N-OE1 2.87Å; L375-E378 PolarHBondContact N-OE2 2.7Å; L375-E378 VanDerWaalsContact N-OE2 3.08Å; N376-E378 WeakPolarHBondContact CA-OE2 3.34Å; N376-E378 PolarHBondContact N-OE2 3.31Å; N376-E378 PolarHBondContact O-N 3.07Å | ||
| 379 | R | 82.6 | Confident | 79.7 | Confident | 144 Ų | 144 | 64.7 Ų | 64.7 | 54% | 0.543 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 161.4 | -174.6 | 70.4 | -178.5 | -168.1 | -144.9 | 1.5 | 113.2 | T372 E373 | T372-R379 CarbonylContact C-O 3.58Å; T372-R379 WeakPolarHBondContact CA-O 3.26Å; T372-R379 WeakPolarHBondContact CB-O 3.43Å; E373-R379 HydrophobicContact CG-CG 3.78Å; E373-R379 PolarHBondContact N-O 3Å; E373-R379 WeakPolarHBondContact O-CG 3.23Å; E373-R379 PolarHBondContact O-N 2.95Å; E373-R379 VanDerWaalsContact O-O 3.09Å; E373-R379 IonicContact OE1-CZ 2.76Å; E373-R379 VanDerWaalsContact OE1-CZ 3.3Å; E373-R379 IonicContact OE1-NE 3.55Å; E373-R379 PolarHBondContact OE1-NE 3.38Å; E373-R379 IonicContact OE1-NH2 3.52Å; E373-R379 PolarHBondContact OE1-NH2 3.05Å |
| 380 | C | 83.3 | Confident | 78.9 | Confident | 25 Ų | 25 | 68.3 Ų | 68.3 | 17% | 0.169 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 148.4 | -179.9 | -61.4 | 0 | 0 | 0 | 0 | 113.3 | Y384 P386 C394 | C380-Y384 WeakPolarHBondContact CB-O 3.17Å; C380-P386 WeakPolarHBondContact SG-CD 3.42Å; C380-P386 VanDerWaalsContact SG-CG 3.54Å; C380-C394 WeakPolarHBondContact CA-SG 3.44Å; C380-C394 HydrophobicContact CB-CB 3.67Å; C380-C394 WeakPolarHBondContact CB-SG 3.25Å; C380-C394 WeakPolarHBondContact SG-CB 3.27Å; C380-C394 CovalentContact SG-SG 2.02Å; C380-C394 PolarHBondContact SG-SG 3.08Å |
| 381 | K | 80.6 | Confident | 78 | Confident | 89 Ų | 89 | 69.3 Ų | 69.3 | 39% | 0.387 | 37% | 0.373 | S | S | . | . | P | Polyproline II helix | trans | -64.7 | 151.7 | 168.3 | -67.4 | 176.7 | -175.3 | 177.4 | 0 | 111 | N371 T372 E373 G383 Y384 | N371-K381 WeakPolarHBondContact O-CG 2.98Å; N371-K381 PolarHBondContact O-N 3.31Å; T372-K381 VanDerWaalsContact O-CE 3.27Å; T372-K381 WeakPolarHBondContact O-CE 3.43Å; E373-K381 HydrophobicContact CB-CG 4.25Å; E373-K381 HydrophobicContact CG-CG 4.31Å; K381-G383 PolarHBondContact O-N 3.2Å; K381-Y384 HydrophobicContact CB-CD2 4.39Å; K381-Y384 WeakPolarHBondContact O-CB 3.44Å; K381-Y384 PolarHBondContact O-N 3.13Å; K381-Y384 VanDerWaalsContact O-N 3.1Å |
| 382 | S | 74.8 | Confident | 77.4 | Confident | 119 Ų | 119 | 68.4 Ų | 68.4 | 83% | 0.832 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | 136.2 | 176.2 | -63.4 | 0 | 0 | 0 | 0 | 112.8 | Y384 | S382-Y384 VanDerWaalsContact C-N 3.32Š|
| 383 | G | 73.3 | Confident | 76.8 | Confident | 49 Ų | 49 | 69.4 Ų | 69.4 | 51% | 0.505 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.9 | 0.6 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | K381 C397 | K381-G383 PolarHBondContact O-N 3.2Å; G383-C397 PolarHBondContact O-N 3.25Å; G383-C397 PolarHBondContact O-SG 3.15Å; G383-C397 VanDerWaalsContact O-SG 3.41Å |
| 384 | Y | 81.1 | Confident | 76.9 | Confident | 91 Ų | 91 | 66.4 Ų | 66.4 | 36% | 0.357 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 152.9 | 177.8 | -60.8 | -103.1 | 0 | 0 | 0 | 111 | N371 C380 K381 S382 L395 P396 | N371-Y384 HydrophobicContact CB-CD1 3.84Å; N371-Y384 HydrophobicContact CB-CE1 4.26Å; N371-Y384 HydrophobicContact CB-CG 4.02Å; N371-Y384 WeakPolarHBondContact ND2-CE1 3.35Å; C380-Y384 WeakPolarHBondContact CB-O 3.17Å; K381-Y384 HydrophobicContact CB-CD2 4.39Å; K381-Y384 WeakPolarHBondContact O-CB 3.44Å; K381-Y384 PolarHBondContact O-N 3.13Å; K381-Y384 VanDerWaalsContact O-N 3.1Å; S382-Y384 VanDerWaalsContact C-N 3.32Å; Y384-L395 CarbonylContact C-O 3.44Å; Y384-L395 WeakPolarHBondContact CA-O 3.18Å; Y384-L395 WeakPolarHBondContact CB-O 3.42Å; Y384-P396 HydrophobicContact CD1-CB 4.16Å; Y384-P396 HydrophobicContact CE1-CB 3.91Å; Y384-P396 HydrophobicContact CE1-CG 4.49Å |
| 385 | Y | 78.7 | Confident | 76.7 | Confident | 32 Ų | 32 | 67.9 Ų | 67.9 | 13% | 0.125 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 155.7 | 178.5 | 69.8 | -86.6 | 0 | 0 | 0 | 111.5 | N387 C394 L395 A413 Q414 G415 K426 | Y385-N387 PolarHBondContact O-N 2.99Å; Y385-C394 CarbonylContact O-C 3.59Å; Y385-C394 WeakPolarHBondContact O-CA 3.39Å; Y385-L395 HydrophobicContact CD1-CB 4.42Å; Y385-L395 WeakPolarHBondContact CD1-O 3.03Å; Y385-L395 HydrophobicContact CE1-CB 3.94Å; Y385-L395 HydrophobicContact CE2-CB 4.4Å; Y385-L395 HydrophobicContact CE2-CD1 4.34Å; Y385-L395 PolarHBondContact N-O 3.29Å; Y385-L395 PolarHBondContact O-N 2.97Å; Y385-A413 WeakPolarHBondContact CB-O 3.42Å; Y385-Q414 VanDerWaalsContact CD2-O 3.3Å; Y385-Q414 WeakPolarHBondContact CD2-O 3.41Å; Y385-G415 VanDerWaalsContact CB-N 3.34Å; Y385-G415 VanDerWaalsContact CG-N 3.31Å; Y385-K426 HydrophobicContact CE2-CD 4.33Å |
| 386 | P | 77.2 | Confident | 76.5 | Confident | 53 Ų | 53 | 67.9 Ų | 67.9 | 34% | 0.344 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 132.2 | -176.7 | -17.7 | 29.6 | 0 | 0 | 0 | 111.6 | C380 P388 A413 | C380-P386 WeakPolarHBondContact SG-CD 3.42Å; C380-P386 VanDerWaalsContact SG-CG 3.54Å; P386-P388 VanDerWaalsContact O-CD 3.31Å; P386-P388 WeakPolarHBondContact O-CD 3.29Å; P386-A413 WeakPolarHBondContact CD-O 3.14Å |
| 387 | N | 73.7 | Confident | 76.4 | Confident | 33 Ų | 33 | 67.2 Ų | 67.2 | 18% | 0.176 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 117.5 | 172.1 | 176.4 | -8.3 | 0 | 0 | 0 | 107.9 | Y385 K389 Q390 P391 T393 L395 | Y385-N387 PolarHBondContact O-N 2.99Å; N387-K389 PolarHBondContact O-N 3.4Å; N387-K389 VanDerWaalsContact O-N 3.09Å; N387-K389 PolarHBondContact OD1-N 2.96Å; N387-Q390 WeakPolarHBondContact CB-O 3.41Å; N387-Q390 CarbonylContact O-C 3.59Å; N387-Q390 PolarHBondContact O-N 2.93Å; N387-Q390 VanDerWaalsContact O-O 3.09Å; N387-P391 VanDerWaalsContact O-CA 3.31Å; N387-P391 WeakPolarHBondContact O-CA 3.45Å; N387-P391 VanDerWaalsContact O-N 3.11Å; N387-T393 WeakPolarHBondContact CA-O 3.43Å; N387-T393 HydrophobicContact CB-CG2 4.48Å; N387-T393 WeakPolarHBondContact CB-O 3.43Å; N387-T393 PolarHBondContact N-O 3.39Å; N387-L395 HydrophobicContact CB-CD1 3.95Å; N387-L395 HydrophobicContact CB-CG 3.95Å |
| 388 | P | 68.2 | Low | 75.9 | Confident | 91 Ų | 91 | 71.6 Ų | 71.6 | 59% | 0.591 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -29.6 | -176.7 | -23.5 | 32.6 | 0 | 0 | 0 | 113.6 | P386 | P386-P388 VanDerWaalsContact O-CD 3.31Å; P386-P388 WeakPolarHBondContact O-CD 3.29Å |
| 389 | K | 67.5 | Low | 75.8 | Confident | 163 Ų | 163 | 68 Ų | 68 | 71% | 0.709 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -21.7 | -179.2 | -69.5 | -177.1 | 179.2 | 177.5 | 0 | 113.2 | N387 | N387-K389 PolarHBondContact O-N 3.4Å; N387-K389 VanDerWaalsContact O-N 3.09Å; N387-K389 PolarHBondContact OD1-N 2.96Å |
| 390 | Q | 66.1 | Low | 75.4 | Confident | 102 Ų | 102 | 63.7 Ų | 63.7 | 48% | 0.477 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 84.1 | 179.4 | -174 | 171.2 | 10.2 | 0 | 0 | 107.2 | N387 T392 T393 | N387-Q390 WeakPolarHBondContact CB-O 3.41Å; N387-Q390 CarbonylContact O-C 3.59Å; N387-Q390 PolarHBondContact O-N 2.93Å; N387-Q390 VanDerWaalsContact O-O 3.09Å; Q390-T392 WeakPolarHBondContact CG-OG1 3.45Å; Q390-T392 PolarHBondContact O-N 3.31Å; Q390-T393 PolarHBondContact O-N 3.2Å |
| 391 | P | 65.8 | Low | 74.8 | Confident | 94 Ų | 94 | 67.2 Ų | 67.2 | 61% | 0.61 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -56.7 | -20.4 | -171.1 | -26 | 33.6 | 0 | 0 | 0 | 114.1 | N387 T393 | N387-P391 VanDerWaalsContact O-CA 3.31Å; N387-P391 WeakPolarHBondContact O-CA 3.45Å; N387-P391 VanDerWaalsContact O-N 3.11Å; P391-T393 PolarHBondContact O-N 3.3Å |
| 392 | T | 69.7 | Low | 74.6 | Confident | 40 Ų | 40 | 66.8 Ų | 66.8 | 25% | 0.245 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | -20.6 | 176.1 | 67.3 | 0 | 0 | 0 | 0 | 111.7 | N343 N345 T372 Q390 | N343-T392 WeakPolarHBondContact O-CG2 3.4Å; N345-T392 WeakPolarHBondContact ND2-CA 3.45Å; N345-T392 PolarHBondContact ND2-O 3.25Å; N345-T392 VanDerWaalsContact OD1-CB 3.3Å; N345-T392 WeakPolarHBondContact OD1-CB 3.15Å; N345-T392 PolarHBondContact OD1-O 3.05Å; T372-T392 WeakPolarHBondContact CG2-O 3.4Å; Q390-T392 WeakPolarHBondContact CG-OG1 3.45Å; Q390-T392 PolarHBondContact O-N 3.31Å |
| 393 | T | 75.2 | Confident | 74.5 | Confident | 25 Ų | 25 | 61.1 Ų | 61.1 | 15% | 0.153 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 131.9 | 179.4 | -57.1 | 0 | 0 | 0 | 0 | 112.6 | N370 N387 Q390 P391 | N370-T393 HydrophobicContact CB-CG2 3.99Å; N370-T393 PolarHBondContact ND2-OG1 2.74Å; N387-T393 WeakPolarHBondContact CA-O 3.43Å; N387-T393 HydrophobicContact CB-CG2 4.48Å; N387-T393 WeakPolarHBondContact CB-O 3.43Å; N387-T393 PolarHBondContact N-O 3.39Å; Q390-T393 PolarHBondContact O-N 3.2Å; P391-T393 PolarHBondContact O-N 3.3Å |
| 394 | C | 83 | Confident | 74.7 | Confident | 3 Ų | 3 | 59 Ų | 59 | 2% | 0.02 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 133 | 179.1 | -53.4 | 0 | 0 | 0 | 0 | 113.6 | N370 N371 C380 Y385 | N370-C394 WeakPolarHBondContact O-CB 3.32Å; N370-C394 PolarHBondContact O-N 3.12Å; N371-C394 HydrophobicContact CB-CB 3.97Å; N371-C394 PolarHBondContact ND2-O 2.72Å; C380-C394 WeakPolarHBondContact CA-SG 3.44Å; C380-C394 HydrophobicContact CB-CB 3.67Å; C380-C394 WeakPolarHBondContact CB-SG 3.25Å; C380-C394 WeakPolarHBondContact SG-CB 3.27Å; C380-C394 CovalentContact SG-SG 2.02Å; C380-C394 PolarHBondContact SG-SG 3.08Å; Y385-C394 CarbonylContact O-C 3.59Å; Y385-C394 WeakPolarHBondContact O-CA 3.39Å |
| 395 | L | 79.9 | Confident | 74.2 | Confident | 58 Ų | 58 | 57.6 Ų | 57.6 | 30% | 0.304 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 147.4 | -175.7 | -60.1 | 174.7 | 0 | 0 | 0 | 111.9 | Y384 Y385 N387 | Y384-L395 CarbonylContact C-O 3.44Å; Y384-L395 WeakPolarHBondContact CA-O 3.18Å; Y384-L395 WeakPolarHBondContact CB-O 3.42Å; Y385-L395 HydrophobicContact CD1-CB 4.42Å; Y385-L395 WeakPolarHBondContact CD1-O 3.03Å; Y385-L395 HydrophobicContact CE1-CB 3.94Å; Y385-L395 HydrophobicContact CE2-CB 4.4Å; Y385-L395 HydrophobicContact CE2-CD1 4.34Å; Y385-L395 PolarHBondContact N-O 3.29Å; Y385-L395 PolarHBondContact O-N 2.97Å; N387-L395 HydrophobicContact CB-CD1 3.95Å; N387-L395 HydrophobicContact CB-CG 3.95Å |
| 396 | P | 77.9 | Confident | 73.7 | Confident | 73 Ų | 73 | 63.8 Ų | 63.8 | 47% | 0.474 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 151.5 | 177.2 | 29.8 | -34.8 | 0 | 0 | 0 | 112.9 | Y384 | Y384-P396 HydrophobicContact CD1-CB 4.16Å; Y384-P396 HydrophobicContact CE1-CB 3.91Å; Y384-P396 HydrophobicContact CE1-CG 4.49Å |
| 397 | C | 79 | Confident | 72.9 | Confident | 26 Ų | 26 | 63.3 Ų | 63.3 | 18% | 0.176 | 37% | 0.372 | C | S | . | . | P | Polyproline II helix | trans | -64.9 | 145.7 | 172.3 | -57.7 | 0 | 0 | 0 | 0 | 112.5 | G383 C411 | G383-C397 PolarHBondContact O-N 3.25Å; G383-C397 PolarHBondContact O-SG 3.15Å; G383-C397 VanDerWaalsContact O-SG 3.41Å; C397-C411 VanDerWaalsContact CA-SG 3.55Å; C397-C411 HydrophobicContact CB-CB 3.64Å; C397-C411 WeakPolarHBondContact CB-SG 2.93Å; C397-C411 WeakPolarHBondContact SG-CB 3.1Å; C397-C411 PolarHBondContact SG-N 2.9Å; C397-C411 CovalentContact SG-SG 2.02Å; C397-C411 PolarHBondContact SG-SG 2.85Å |
| 398 | S | 74.4 | Confident | 72.9 | Confident | 93 Ų | 93 | 66.6 Ų | 66.6 | 65% | 0.65 | 39% | 0.386 | S | S | * | . | trans | -149.9 | 89.6 | 176.4 | -66.5 | 0 | 0 | 0 | 0 | 110.9 | S427 | S398-S427 WeakPolarHBondContact O-CA 3.32Å; S398-S427 VanDerWaalsContact O-CB 3.28Å; S398-S427 WeakPolarHBondContact O-CB 3.02Å | ||
| 399 | C | 79.3 | Confident | 72.8 | Confident | 26 Ų | 26 | 66.9 Ų | 66.9 | 18% | 0.176 | 39% | 0.387 | C | S | . | . | trans | -94.7 | 134.5 | -177 | -52.7 | 0 | 0 | 0 | 0 | 112.4 | T404 Q408 C417 | C399-T404 HydrophobicContact CB-CG2 4.33Å; C399-Q408 WeakPolarHBondContact CB-O 3.29Å; C399-C417 WeakPolarHBondContact CA-SG 3.42Å; C399-C417 HydrophobicContact CB-CB 3.64Å; C399-C417 WeakPolarHBondContact CB-SG 3.15Å; C399-C417 WeakPolarHBondContact SG-CB 3.31Å; C399-C417 CovalentContact SG-SG 2.01Å; C399-C417 PolarHBondContact SG-SG 3.08Å | ||
| 400 | D | 75.5 | Confident | 73.1 | Confident | 52 Ų | 52 | 65.1 Ų | 65.1 | 28% | 0.278 | 38% | 0.381 | S | S | . | . | trans | -80.7 | 124.6 | 175.7 | -176.1 | -70.7 | 0 | 0 | 0 | 110.5 | V402 G403 T404 S427 D429 | D400-V402 VanDerWaalsContact C-N 3.26Å; D400-V402 PolarHBondContact O-N 3.08Å; D400-V402 WeakPolarHBondContact OD1-CA 3Å; D400-V402 VanDerWaalsContact OD1-CB 3.27Å; D400-V402 WeakPolarHBondContact OD1-CB 3.39Å; D400-V402 PolarHBondContact OD1-N 2.9Å; D400-G403 PolarHBondContact OD1-N 3.33Å; D400-T404 WeakPolarHBondContact O-CB 3.45Å; D400-T404 PolarHBondContact O-N 3.34Å; D400-T404 PolarHBondContact O-OG1 3Å; D400-S427 WeakPolarHBondContact CA-O 3.45Å; D400-S427 WeakPolarHBondContact CB-O 3.16Å; D400-S427 PolarHBondContact N-O 3.44Å; D400-D429 HydrophobicContact CB-CB 4.17Å | ||
| 401 | P | 70.3 | Confident | 73.7 | Confident | 100 Ų | 100 | 61.4 Ų | 61.4 | 65% | 0.649 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -23.2 | -174.8 | -19.1 | 30 | 0 | 0 | 0 | 115.2 | ||
| 402 | V | 75.2 | Confident | 74.2 | Confident | 80 Ų | 80 | 60.5 Ų | 60.5 | 49% | 0.485 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | -43.7 | -173.8 | -176 | 0 | 0 | 0 | 0 | 110.9 | D400 K420 | D400-V402 VanDerWaalsContact C-N 3.26Å; D400-V402 PolarHBondContact O-N 3.08Å; D400-V402 WeakPolarHBondContact OD1-CA 3Å; D400-V402 VanDerWaalsContact OD1-CB 3.27Å; D400-V402 WeakPolarHBondContact OD1-CB 3.39Å; D400-V402 PolarHBondContact OD1-N 2.9Å; V402-K420 WeakPolarHBondContact O-CE 3.48Å; V402-K420 PolarHBondContact O-NZ 3.12Å |
| 403 | G | 72.6 | Confident | 74.1 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 37% | 0.371 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | -13.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | D400 C419 K420 C428 | D400-G403 PolarHBondContact OD1-N 3.33Å; G403-C419 WeakPolarHBondContact O-CA 3.37Å; G403-K420 PolarHBondContact O-N 3.06Å; G403-C428 WeakPolarHBondContact CA-O 3.44Å; G403-C428 WeakPolarHBondContact O-CB 3.21Å |
| 404 | T | 79.2 | Confident | 74 | Confident | 3 Ų | 3 | 66.3 Ų | 66.3 | 2% | 0.018 | 39% | 0.39 | C | S | . | . | B | Isolated β-bridge | trans | -78.1 | 134.8 | 173.7 | -55.5 | 0 | 0 | 0 | 0 | 111 | C399 D400 D406 C417 Q418 S427 | C399-T404 HydrophobicContact CB-CG2 4.33Å; D400-T404 WeakPolarHBondContact O-CB 3.45Å; D400-T404 PolarHBondContact O-N 3.34Å; D400-T404 PolarHBondContact O-OG1 3Å; T404-D406 PolarHBondContact O-N 3.13Å; T404-C417 HydrophobicContact CG2-CB 4.35Å; T404-Q418 CarbonylContact C-O 3.59Å; T404-Q418 VanDerWaalsContact CA-O 3.3Å; T404-Q418 WeakPolarHBondContact CA-O 3.41Å; T404-S427 PolarHBondContact OG1-O 3.39Å |
| 405 | I | 69.8 | Low | 73.5 | Confident | 63 Ų | 63 | 66.3 Ų | 66.3 | 32% | 0.323 | 39% | 0.391 | S | S | . | . | G | 310 helix | trans | -62.9 | 123.2 | 174.7 | -64 | 169.8 | 0 | 0 | 0 | 108.4 | G407 Q418 C419 K420 | I405-G407 PolarHBondContact O-N 2.77Å; I405-Q418 HydrophobicContact CB-CB 4.25Å; I405-Q418 HydrophobicContact CD1-CB 4.27Å; I405-Q418 PolarHBondContact N-O 3.06Å; I405-C419 WeakPolarHBondContact CD1-O 3.49Å; I405-K420 HydrophobicContact CG1-CG 4.18Å |
| 406 | D | 68.4 | Low | 73.6 | Confident | 162 Ų | 162 | 66.7 Ų | 66.7 | 87% | 0.866 | 39% | 0.391 | S | S | * | . | G | 310 helix | trans | 55.3 | 11.9 | 178.3 | -57.4 | -29.7 | 0 | 0 | 0 | 117 | T404 | T404-D406 PolarHBondContact O-N 3.13Š|
| 407 | G | 60.9 | Low | 73.8 | Confident | 42 Ų | 42 | 63.5 Ų | 63.5 | 43% | 0.433 | 37% | 0.37 | S | S | . | . | G | 310 helix | trans | 73.3 | 25.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | I405 | I405-G407 PolarHBondContact O-N 2.77Š|
| 408 | Q | 72.7 | Confident | 73.8 | Confident | 102 Ų | 102 | 67.9 Ų | 67.9 | 48% | 0.477 | 39% | 0.388 | S | S | . | . | trans | -66.2 | 147.5 | 176.2 | -66.6 | -138.9 | -50.4 | 0 | 0 | 113.5 | C399 | C399-Q408 WeakPolarHBondContact CB-O 3.29Š| ||
| 409 | T | 67 | Low | 74.1 | Confident | 98 Ų | 98 | 65 Ų | 65 | 60% | 0.601 | 37% | 0.367 | S | S | * | . | trans | -104.9 | -11 | -177.8 | 46.4 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 410 | E | 74 | Confident | 73.9 | Confident | 126 Ų | 126 | 66.9 Ų | 66.9 | 59% | 0.589 | 37% | 0.373 | S | S | * | . | trans | -79.6 | 143.8 | 174.1 | -61.8 | 80 | -165.7 | 0 | 0 | 112.2 | ||||
| 411 | C | 78.6 | Confident | 73.8 | Confident | 24 Ų | 24 | 69.8 Ų | 69.8 | 16% | 0.162 | 39% | 0.394 | C | S | . | . | trans | -120.1 | 157.1 | 173.5 | 73 | 0 | 0 | 0 | 0 | 110.9 | C397 G415 Q416 | C397-C411 VanDerWaalsContact CA-SG 3.55Å; C397-C411 HydrophobicContact CB-CB 3.64Å; C397-C411 WeakPolarHBondContact CB-SG 2.93Å; C397-C411 WeakPolarHBondContact SG-CB 3.1Å; C397-C411 PolarHBondContact SG-N 2.9Å; C397-C411 CovalentContact SG-SG 2.02Å; C397-C411 PolarHBondContact SG-SG 2.85Å; C411-G415 WeakPolarHBondContact SG-CA 3.43Å; C411-Q416 WeakPolarHBondContact CA-O 3.33Å | ||
| 412 | N | 75.7 | Confident | 74 | Confident | 75 Ų | 75 | 65.5 Ų | 65.5 | 40% | 0.401 | 37% | 0.369 | S | S | . | . | trans | -74.6 | -179.5 | 176.3 | 69.6 | 13.1 | 0 | 0 | 0 | 112.2 | Q414 G415 Q416 | N412-Q414 PolarHBondContact ND2-OE1 2.8Å; N412-Q414 PolarHBondContact O-N 3.44Å; N412-Q414 WeakPolarHBondContact OD1-CB 3.35Å; N412-Q414 PolarHBondContact OD1-N 2.76Å; N412-Q414 PolarHBondContact OD1-OE1 3.21Å; N412-Q414 VanDerWaalsContact OD1-OE1 3.13Å; N412-G415 PolarHBondContact O-N 3.28Å; N412-G415 PolarHBondContact OD1-N 2.72Å; N412-Q416 PolarHBondContact N-O 3.19Å; N412-Q416 VanDerWaalsContact N-O 3.1Å; N412-Q416 WeakPolarHBondContact OD1-CB 3.29Å; N412-Q416 PolarHBondContact OD1-N 3.3Å | ||
| 413 | A | 66.9 | Low | 74.3 | Confident | 68 Ų | 68 | 62 Ų | 62 | 56% | 0.562 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -12.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y385 P386 | Y385-A413 WeakPolarHBondContact CB-O 3.42Å; P386-A413 WeakPolarHBondContact CD-O 3.14Å |
| 414 | Q | 73.5 | Confident | 74.2 | Confident | 118 Ų | 118 | 62.2 Ų | 62.2 | 55% | 0.551 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.9 | -3.7 | 174.5 | -63.9 | 76.4 | 21 | 0 | 0 | 112.7 | Y385 N412 K426 | Y385-Q414 VanDerWaalsContact CD2-O 3.3Å; Y385-Q414 WeakPolarHBondContact CD2-O 3.41Å; N412-Q414 PolarHBondContact ND2-OE1 2.8Å; N412-Q414 PolarHBondContact O-N 3.44Å; N412-Q414 WeakPolarHBondContact OD1-CB 3.35Å; N412-Q414 PolarHBondContact OD1-N 2.76Å; N412-Q414 PolarHBondContact OD1-OE1 3.21Å; N412-Q414 VanDerWaalsContact OD1-OE1 3.13Å; Q414-K426 WeakPolarHBondContact O-CE 3.4Å; Q414-K426 PolarHBondContact O-NZ 2.82Å |
| 415 | G | 73.2 | Confident | 74 | Confident | 3 Ų | 3 | 62.9 Ų | 62.9 | 3% | 0.031 | 36% | 0.357 | C | S | . | . | S | Bend | trans | 87.7 | 7.4 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y385 C411 N412 K426 | Y385-G415 VanDerWaalsContact CB-N 3.34Å; Y385-G415 VanDerWaalsContact CG-N 3.31Å; C411-G415 WeakPolarHBondContact SG-CA 3.43Å; N412-G415 PolarHBondContact O-N 3.28Å; N412-G415 PolarHBondContact OD1-N 2.72Å; G415-K426 WeakPolarHBondContact O-CB 3.32Å |
| 416 | Q | 81.8 | Confident | 74.1 | Confident | 67 Ų | 67 | 63.3 Ų | 63.3 | 31% | 0.313 | 36% | 0.357 | S | S | . | . | trans | -88.8 | 126.3 | -172.6 | -177 | 62.6 | 51.5 | 0 | 0 | 111.1 | C411 N412 C419 G425 | C411-Q416 WeakPolarHBondContact CA-O 3.33Å; N412-Q416 PolarHBondContact N-O 3.19Å; N412-Q416 VanDerWaalsContact N-O 3.1Å; N412-Q416 WeakPolarHBondContact OD1-CB 3.29Å; N412-Q416 PolarHBondContact OD1-N 3.3Å; Q416-C419 PolarHBondContact NE2-SG 3.44Å; Q416-G425 PolarHBondContact NE2-O 3.37Å | ||
| 417 | C | 82 | Confident | 74.5 | Confident | 5 Ų | 5 | 57 Ų | 57 | 3% | 0.034 | 33% | 0.325 | C | S | . | . | trans | -83.6 | 162 | 168.8 | -52.3 | 0 | 0 | 0 | 0 | 110.4 | C399 T404 C419 K426 | C399-C417 WeakPolarHBondContact CA-SG 3.42Å; C399-C417 HydrophobicContact CB-CB 3.64Å; C399-C417 WeakPolarHBondContact CB-SG 3.15Å; C399-C417 WeakPolarHBondContact SG-CB 3.31Å; C399-C417 CovalentContact SG-SG 2.01Å; C399-C417 PolarHBondContact SG-SG 3.08Å; T404-C417 HydrophobicContact CG2-CB 4.35Å; C417-C419 PolarHBondContact O-N 3.18Å; C417-K426 WeakPolarHBondContact CB-O 2.99Å; C417-K426 PolarHBondContact N-O 3.33Å; C417-K426 PolarHBondContact SG-O 3.09Å | ||
| 418 | Q | 78.3 | Confident | 75.6 | Confident | 119 Ų | 119 | 55 Ų | 55 | 56% | 0.556 | 31% | 0.305 | S | S | * | . | trans | -80.6 | 105.2 | -179.7 | -62.6 | -169.6 | 25 | 0 | 0 | 110.9 | T404 I405 C428 | T404-Q418 CarbonylContact C-O 3.59Å; T404-Q418 VanDerWaalsContact CA-O 3.3Å; T404-Q418 WeakPolarHBondContact CA-O 3.41Å; I405-Q418 HydrophobicContact CB-CB 4.25Å; I405-Q418 HydrophobicContact CD1-CB 4.27Å; I405-Q418 PolarHBondContact N-O 3.06Å; Q418-C428 VanDerWaalsContact C-SG 3.57Å | ||
| 419 | C | 81.8 | Confident | 75.9 | Confident | 31 Ų | 31 | 53.7 Ų | 53.7 | 21% | 0.209 | 30% | 0.301 | C | S | . | . | B | Isolated β-bridge | trans | -92.4 | 149.3 | -174.1 | -51.9 | 0 | 0 | 0 | 0 | 114.1 | G403 I405 Q416 C417 I423 G425 C428 | G403-C419 WeakPolarHBondContact O-CA 3.37Å; I405-C419 WeakPolarHBondContact CD1-O 3.49Å; Q416-C419 PolarHBondContact NE2-SG 3.44Å; C417-C419 PolarHBondContact O-N 3.18Å; C419-I423 HydrophobicContact CB-CG2 4.41Å; C419-I423 WeakPolarHBondContact CB-O 3.26Å; C419-G425 PolarHBondContact SG-O 3.37Å; C419-C428 WeakPolarHBondContact CA-SG 3.47Å; C419-C428 HydrophobicContact CB-CB 3.62Å; C419-C428 WeakPolarHBondContact CB-SG 3.43Å; C419-C428 PolarHBondContact N-SG 2.03Å; C419-C428 WeakPolarHBondContact SG-CA 3.23Å; C419-C428 WeakPolarHBondContact SG-CB 3.29Å; C419-C428 CovalentContact SG-SG 2.03Å; C419-C428 PolarHBondContact SG-SG 2.98Å |
| 420 | K | 74.3 | Confident | 76.7 | Confident | 66 Ų | 66 | 53.4 Ų | 53.4 | 29% | 0.287 | 29% | 0.293 | S | S | . | . | P | Polyproline II helix | trans | -65 | 157.3 | 169 | -72.7 | 174.3 | -177.4 | 171.9 | 0 | 112.1 | V402 G403 I405 I423 | V402-K420 WeakPolarHBondContact O-CE 3.48Å; V402-K420 PolarHBondContact O-NZ 3.12Å; G403-K420 PolarHBondContact O-N 3.06Å; I405-K420 HydrophobicContact CG1-CG 4.18Å; K420-I423 HydrophobicContact CB-CD1 4.03Å; K420-I423 WeakPolarHBondContact O-CB 3.45Å; K420-I423 PolarHBondContact O-N 3.03Å; K420-I423 VanDerWaalsContact O-N 3.12Å |
| 421 | P | 73.7 | Confident | 77 | Confident | 113 Ų | 113 | 48.3 Ų | 48.3 | 73% | 0.734 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | 137.5 | 179.7 | -23.5 | 33.8 | 0 | 0 | 0 | 113.5 | I423 | P421-I423 PolarHBondContact O-N 3.36Š|
| 422 | G | 73.7 | Confident | 76.6 | Confident | 11 Ų | 11 | 51 Ų | 51 | 11% | 0.113 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75.7 | -5.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | C431 L432 C443 | G422-C431 WeakPolarHBondContact O-CA 3.32Å; G422-L432 PolarHBondContact O-N 3.28Å; G422-C443 WeakPolarHBondContact O-CB 3.17Å; G422-C443 PolarHBondContact O-SG 2.84Å |
| 423 | I | 81.2 | Confident | 76.3 | Confident | 6 Ų | 6 | 52 Ų | 52 | 3% | 0.031 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 133.5 | 178.4 | -68.2 | 169.1 | 0 | 0 | 0 | 109.2 | C419 K420 P421 C428 H430 F438 | C419-I423 HydrophobicContact CB-CG2 4.41Å; C419-I423 WeakPolarHBondContact CB-O 3.26Å; K420-I423 HydrophobicContact CB-CD1 4.03Å; K420-I423 WeakPolarHBondContact O-CB 3.45Å; K420-I423 PolarHBondContact O-N 3.03Å; K420-I423 VanDerWaalsContact O-N 3.12Å; P421-I423 PolarHBondContact O-N 3.36Å; I423-C428 HydrophobicContact CG2-CB 4.12Å; I423-H430 CarbonylContact C-O 3.54Å; I423-H430 VanDerWaalsContact CA-O 3.29Å; I423-H430 WeakPolarHBondContact CA-O 3.45Å; I423-H430 WeakPolarHBondContact CG2-O 3.22Å; I423-F438 HydrophobicContact CB-CE2 4.39Å; I423-F438 HydrophobicContact CD1-CD2 4.3Å; I423-F438 HydrophobicContact CD1-CE2 3.81Å; I423-F438 HydrophobicContact CD1-CZ 4.46Å; I423-F438 HydrophobicContact CG1-CD2 3.97Å; I423-F438 HydrophobicContact CG1-CE2 3.7Å; I423-F438 HydrophobicContact CG2-CE2 3.89Å |
| 424 | G | 71.6 | Confident | 76.6 | Confident | 5 Ų | 5 | 50.1 Ų | 50.1 | 5% | 0.052 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | -174.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | C428 D429 H430 L432 | G424-C428 CarbonylContact O-C 3.58Å; G424-C428 WeakPolarHBondContact O-CA 3.48Å; G424-D429 PolarHBondContact O-N 3.45Å; G424-D429 VanDerWaalsContact O-N 3.15Å; G424-H430 VanDerWaalsContact C-CE1 3.49Å; G424-H430 PolarHBondContact N-O 2.98Å; G424-H430 PolarHBondContact O-N 3.37Å; G424-L432 VanDerWaalsContact CA-CD2 3.48Å |
| 425 | G | 74.6 | Confident | 76.9 | Confident | 17 Ų | 17 | 47.1 Ų | 47.1 | 18% | 0.175 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 97.4 | 145.3 | -170.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | Q416 C419 S427 C428 H430 | Q416-G425 PolarHBondContact NE2-O 3.37Å; C419-G425 PolarHBondContact SG-O 3.37Å; G425-S427 PolarHBondContact O-N 2.71Å; G425-C428 PolarHBondContact O-N 2.93Å; G425-H430 WeakPolarHBondContact CA-NE2 3.46Å; G425-H430 PolarHBondContact N-CE1 2.89Å; G425-H430 VanDerWaalsContact N-CE1 3.3Å; G425-H430 PolarHBondContact N-NE2 3.47Å |
| 426 | K | 72.6 | Confident | 77.1 | Confident | 72 Ų | 72 | 50.2 Ų | 50.2 | 31% | 0.313 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -34.2 | 173.9 | -80.8 | -171 | -176.8 | -174.5 | 0 | 111.4 | Y385 Q414 G415 C417 | Y385-K426 HydrophobicContact CE2-CD 4.33Å; Q414-K426 WeakPolarHBondContact O-CE 3.4Å; Q414-K426 PolarHBondContact O-NZ 2.82Å; G415-K426 WeakPolarHBondContact O-CB 3.32Å; C417-K426 WeakPolarHBondContact CB-O 2.99Å; C417-K426 PolarHBondContact N-O 3.33Å; C417-K426 PolarHBondContact SG-O 3.09Å |
| 427 | S | 75.8 | Confident | 76.8 | Confident | 30 Ų | 30 | 48.8 Ų | 48.8 | 21% | 0.21 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -14.9 | 173.6 | 18.9 | 0 | 0 | 0 | 0 | 113.8 | S398 D400 T404 G425 D429 | S398-S427 WeakPolarHBondContact O-CA 3.32Å; S398-S427 VanDerWaalsContact O-CB 3.28Å; S398-S427 WeakPolarHBondContact O-CB 3.02Å; D400-S427 WeakPolarHBondContact CA-O 3.45Å; D400-S427 WeakPolarHBondContact CB-O 3.16Å; D400-S427 PolarHBondContact N-O 3.44Å; T404-S427 PolarHBondContact OG1-O 3.39Å; G425-S427 PolarHBondContact O-N 2.71Å; S427-D429 PolarHBondContact OG-OD1 3.49Å; S427-D429 PolarHBondContact OG-OD2 2.88Å |
| 428 | C | 83.6 | Confident | 76.5 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 63.6 | 52.4 | -169.1 | -45.2 | 0 | 0 | 0 | 0 | 113.6 | G403 Q418 C419 I423 G424 G425 | G403-C428 WeakPolarHBondContact CA-O 3.44Å; G403-C428 WeakPolarHBondContact O-CB 3.21Å; Q418-C428 VanDerWaalsContact C-SG 3.57Å; C419-C428 WeakPolarHBondContact CA-SG 3.47Å; C419-C428 HydrophobicContact CB-CB 3.62Å; C419-C428 WeakPolarHBondContact CB-SG 3.43Å; C419-C428 PolarHBondContact N-SG 2.03Å; C419-C428 WeakPolarHBondContact SG-CA 3.23Å; C419-C428 WeakPolarHBondContact SG-CB 3.29Å; C419-C428 CovalentContact SG-SG 2.03Å; C419-C428 PolarHBondContact SG-SG 2.98Å; I423-C428 HydrophobicContact CG2-CB 4.12Å; G424-C428 CarbonylContact O-C 3.58Å; G424-C428 WeakPolarHBondContact O-CA 3.48Å; G425-C428 PolarHBondContact O-N 2.93Å |
| 429 | D | 79.6 | Confident | 76.2 | Confident | 73 Ų | 73 | 51.5 Ų | 51.5 | 39% | 0.39 | 28% | 0.281 | S | S | . | . | trans | -118 | -4.6 | -170.1 | 54.5 | -6.7 | 0 | 0 | 0 | 115.1 | D400 G424 S427 F438 | D400-D429 HydrophobicContact CB-CB 4.17Å; G424-D429 PolarHBondContact O-N 3.45Å; G424-D429 VanDerWaalsContact O-N 3.15Å; S427-D429 PolarHBondContact OG-OD1 3.49Å; S427-D429 PolarHBondContact OG-OD2 2.88Å; D429-F438 WeakPolarHBondContact O-CZ 3.2Å | ||
| 430 | H | 83.2 | Confident | 75.2 | Confident | 93 Ų | 93 | 54 Ų | 54 | 43% | 0.431 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 171.3 | -177.4 | 64.2 | 77.6 | 0 | 0 | 0 | 113.5 | I423 G424 G425 | I423-H430 CarbonylContact C-O 3.54Å; I423-H430 VanDerWaalsContact CA-O 3.29Å; I423-H430 WeakPolarHBondContact CA-O 3.45Å; I423-H430 WeakPolarHBondContact CG2-O 3.22Å; G424-H430 VanDerWaalsContact C-CE1 3.49Å; G424-H430 PolarHBondContact N-O 2.98Å; G424-H430 PolarHBondContact O-N 3.37Å; G425-H430 WeakPolarHBondContact CA-NE2 3.46Å; G425-H430 PolarHBondContact N-CE1 2.89Å; G425-H430 VanDerWaalsContact N-CE1 3.3Å; G425-H430 PolarHBondContact N-NE2 3.47Å |
| 431 | C | 80.8 | Confident | 74.7 | Confident | 19 Ų | 19 | 54.2 Ų | 54.2 | 13% | 0.128 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 146.1 | 171.8 | -68.6 | 0 | 0 | 0 | 0 | 112 | G422 F438 C443 | G422-C431 WeakPolarHBondContact O-CA 3.32Å; C431-F438 VanDerWaalsContact SG-CA 3.55Å; C431-F438 PolarHBondContact SG-N 2.92Å; C431-C443 WeakPolarHBondContact CA-SG 3.49Å; C431-C443 HydrophobicContact CB-CB 3.67Å; C431-C443 WeakPolarHBondContact CB-SG 3.07Å; C431-C443 WeakPolarHBondContact SG-CB 3.3Å; C431-C443 CovalentContact SG-SG 2.02Å; C431-C443 PolarHBondContact SG-SG 3.19Å |
| 432 | L | 70.9 | Confident | 74.7 | Confident | 79 Ų | 79 | 49.2 Ų | 49.2 | 41% | 0.414 | 29% | 0.294 | S | S | . | . | P | Polyproline II helix | trans | -61.7 | 151.9 | 166.4 | -71.8 | 167.8 | 0 | 0 | 0 | 110.5 | G422 G424 H435 | G422-L432 PolarHBondContact O-N 3.28Å; G424-L432 VanDerWaalsContact CA-CD2 3.48Å; L432-H435 WeakPolarHBondContact O-CA 3.28Å; L432-H435 VanDerWaalsContact O-CB 3.32Å; L432-H435 WeakPolarHBondContact O-CB 3.45Å; L432-H435 PolarHBondContact O-N 3.26Å |
| 433 | E | 69.8 | Low | 75.2 | Confident | 98 Ų | 98 | 49.5 Ų | 49.5 | 46% | 0.458 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | 154.3 | 172 | -85.7 | -171.8 | -133.4 | 0 | 0 | 111.9 | H435 R457 | E433-H435 PolarHBondContact O-N 3.14Å; E433-H435 VanDerWaalsContact O-N 3.17Å; E433-H435 PolarHBondContact O-ND1 2.95Å; E433-R457 IonicContact OE1-CZ 3.39Å; E433-R457 IonicContact OE1-NH1 3.8Å; E433-R457 PolarHBondContact OE1-NH1 3.34Å; E433-R457 IonicContact OE1-NH2 2.73Å; E433-R457 PolarHBondContact OE1-NH2 3.46Å; E433-R457 WeakPolarHBondContact OE2-CD 3.48Å; E433-R457 IonicContact OE2-CZ 3.52Å; E433-R457 IonicContact OE2-NE 3.52Å; E433-R457 PolarHBondContact OE2-NE 3.06Å; E433-R457 IonicContact OE2-NH1 3.8Å; E433-R457 PolarHBondContact OE2-NH1 3.34Å; E433-R457 IonicContact OE2-NH2 3.46Å; E433-R457 PolarHBondContact OE2-NH2 2.85Å |
| 434 | D | 72 | Confident | 75 | Confident | 28 Ų | 28 | 54.4 Ų | 54.4 | 15% | 0.15 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 62.1 | 2.4 | -163.5 | -154.1 | 48.9 | 0 | 0 | 0 | 114.6 | P445 C446 P458 | D434-P445 CarbonylContact O-C 3.59Å; D434-P445 WeakPolarHBondContact O-CA 3.44Å; D434-C446 WeakPolarHBondContact O-CB 3.24Å; D434-C446 PolarHBondContact O-N 3.22Å; D434-C446 VanDerWaalsContact OD1-CB 3.32Å; D434-C446 WeakPolarHBondContact OD1-CB 3.37Å; D434-P458 HydrophobicContact CB-CB 4.45Å; D434-P458 WeakPolarHBondContact CB-O 3.47Å |
| 435 | H | 80.1 | Confident | 75.1 | Confident | 54 Ų | 54 | 57.3 Ų | 57.3 | 25% | 0.25 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 143 | 178.1 | -59.7 | 62 | 0 | 0 | 0 | 112.6 | L432 E433 C443 L444 | L432-H435 WeakPolarHBondContact O-CA 3.28Å; L432-H435 VanDerWaalsContact O-CB 3.32Å; L432-H435 WeakPolarHBondContact O-CB 3.45Å; L432-H435 PolarHBondContact O-N 3.26Å; E433-H435 PolarHBondContact O-N 3.14Å; E433-H435 VanDerWaalsContact O-N 3.17Å; E433-H435 PolarHBondContact O-ND1 2.95Å; H435-C443 HydrophobicContact CB-CB 3.74Å; H435-L444 CarbonylContact C-O 3.49Å; H435-L444 WeakPolarHBondContact CA-O 3.41Å; H435-L444 WeakPolarHBondContact CB-O 3.05Å |
| 436 | F | 78.3 | Confident | 75.4 | Confident | 69 Ų | 69 | 57.4 Ų | 57.4 | 30% | 0.303 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 150.2 | -177.8 | 74.3 | -80.4 | 0 | 0 | 0 | 111.5 | L444 S462 | F436-L444 HydrophobicContact CD1-CB 4.25Å; F436-L444 WeakPolarHBondContact CD1-O 3.44Å; F436-L444 HydrophobicContact CE1-CB 3.94Å; F436-L444 HydrophobicContact CZ-CB 4.29Å; F436-L444 HydrophobicContact CZ-CD1 4.47Å; F436-L444 PolarHBondContact N-O 3.45Å; F436-L444 PolarHBondContact O-N 3.48Å; F436-S462 VanDerWaalsContact CA-O 3.31Å; F436-S462 WeakPolarHBondContact CA-O 3.49Å; F436-S462 WeakPolarHBondContact CB-O 3.46Å |
| 437 | G | 75.1 | Confident | 75.9 | Confident | 37 Ų | 37 | 59.3 Ų | 59.3 | 38% | 0.381 | 35% | 0.349 | S | S | . | . | trans | 90.4 | 67.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 118.6 | N439 S462 | G437-N439 PolarHBondContact O-N 3.18Å; G437-N439 PolarHBondContact O-ND2 3.41Å; G437-S462 PolarHBondContact N-O 3.47Å | ||
| 438 | F | 75.4 | Confident | 76.4 | Confident | 89 Ų | 89 | 58.5 Ų | 58.5 | 39% | 0.39 | 34% | 0.344 | S | S | . | . | trans | -65.5 | 119.7 | -178.8 | -169.9 | -101.3 | 0 | 0 | 0 | 114.1 | I423 D429 C431 | I423-F438 HydrophobicContact CB-CE2 4.39Å; I423-F438 HydrophobicContact CD1-CD2 4.3Å; I423-F438 HydrophobicContact CD1-CE2 3.81Å; I423-F438 HydrophobicContact CD1-CZ 4.46Å; I423-F438 HydrophobicContact CG1-CD2 3.97Å; I423-F438 HydrophobicContact CG1-CE2 3.7Å; I423-F438 HydrophobicContact CG2-CE2 3.89Å; D429-F438 WeakPolarHBondContact O-CZ 3.2Å; C431-F438 VanDerWaalsContact SG-CA 3.55Å; C431-F438 PolarHBondContact SG-N 2.92Å | ||
| 439 | N | 72 | Confident | 76.4 | Confident | 92 Ų | 92 | 61.8 Ų | 61.8 | 49% | 0.492 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -154.2 | 179.5 | 176.5 | 66.1 | 71.9 | 0 | 0 | 0 | 111.4 | G437 G441 G442 | G437-N439 PolarHBondContact O-N 3.18Å; G437-N439 PolarHBondContact O-ND2 3.41Å; N439-G441 PolarHBondContact O-N 3.34Å; N439-G441 WeakPolarHBondContact OD1-CA 3.19Å; N439-G441 PolarHBondContact OD1-N 3.02Å; N439-G442 PolarHBondContact ND2-O 3.39Å; N439-G442 VanDerWaalsContact ND2-O 3.11Å; N439-G442 PolarHBondContact O-N 3.41Å |
| 440 | A | 61.9 | Low | 76.1 | Confident | 82 Ų | 82 | 64.4 Ų | 64.4 | 68% | 0.678 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -19.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 441 | G | 64.1 | Low | 75.5 | Confident | 72 Ų | 72 | 60.3 Ų | 60.3 | 74% | 0.742 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.9 | 1.2 | 178 | 0 | 0 | 0 | 0 | 0 | 116.1 | N439 | N439-G441 PolarHBondContact O-N 3.34Å; N439-G441 WeakPolarHBondContact OD1-CA 3.19Å; N439-G441 PolarHBondContact OD1-N 3.02Å |
| 442 | G | 72.2 | Confident | 75.5 | Confident | 7 Ų | 7 | 59.4 Ų | 59.4 | 7% | 0.072 | 35% | 0.347 | C | S | . | . | trans | 98.4 | -166.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115 | N439 | N439-G442 PolarHBondContact ND2-O 3.39Å; N439-G442 VanDerWaalsContact ND2-O 3.11Å; N439-G442 PolarHBondContact O-N 3.41Å | ||
| 443 | C | 84.3 | Confident | 75.8 | Confident | 17 Ų | 17 | 55.6 Ų | 55.6 | 12% | 0.115 | 33% | 0.328 | C | S | . | . | trans | -121.5 | 161.2 | -172.6 | -51.1 | 0 | 0 | 0 | 0 | 113.8 | G422 C431 H435 | G422-C443 WeakPolarHBondContact O-CB 3.17Å; G422-C443 PolarHBondContact O-SG 2.84Å; C431-C443 WeakPolarHBondContact CA-SG 3.49Å; C431-C443 HydrophobicContact CB-CB 3.67Å; C431-C443 WeakPolarHBondContact CB-SG 3.07Å; C431-C443 WeakPolarHBondContact SG-CB 3.3Å; C431-C443 CovalentContact SG-SG 2.02Å; C431-C443 PolarHBondContact SG-SG 3.19Å; H435-C443 HydrophobicContact CB-CB 3.74Å | ||
| 444 | L | 76.8 | Confident | 76 | Confident | 109 Ų | 109 | 57.2 Ų | 57.2 | 57% | 0.571 | 33% | 0.331 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 146.7 | -172.7 | -68.5 | 171.3 | 0 | 0 | 0 | 114.6 | H435 F436 | H435-L444 CarbonylContact C-O 3.49Å; H435-L444 WeakPolarHBondContact CA-O 3.41Å; H435-L444 WeakPolarHBondContact CB-O 3.05Å; F436-L444 HydrophobicContact CD1-CB 4.25Å; F436-L444 WeakPolarHBondContact CD1-O 3.44Å; F436-L444 HydrophobicContact CE1-CB 3.94Å; F436-L444 HydrophobicContact CZ-CB 4.29Å; F436-L444 HydrophobicContact CZ-CD1 4.47Å; F436-L444 PolarHBondContact N-O 3.45Å; F436-L444 PolarHBondContact O-N 3.48Å |
| 445 | P | 74.6 | Confident | 75.6 | Confident | 67 Ų | 67 | 60 Ų | 60 | 44% | 0.435 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 156.1 | -172.8 | 31.8 | -36.3 | 0 | 0 | 0 | 117.1 | D434 | D434-P445 CarbonylContact O-C 3.59Å; D434-P445 WeakPolarHBondContact O-CA 3.44Å |
| 446 | C | 80.4 | Confident | 75.1 | Confident | 19 Ų | 19 | 59.1 Ų | 59.1 | 13% | 0.128 | 34% | 0.34 | C | S | . | . | trans | -105.5 | -25.7 | -172.2 | -74.9 | 0 | 0 | 0 | 0 | 117.4 | D434 C460 | D434-C446 WeakPolarHBondContact O-CB 3.24Å; D434-C446 PolarHBondContact O-N 3.22Å; D434-C446 VanDerWaalsContact OD1-CB 3.32Å; D434-C446 WeakPolarHBondContact OD1-CB 3.37Å; C446-C460 HydrophobicContact CB-CB 3.41Å; C446-C460 VanDerWaalsContact CB-CB 3.41Å; C446-C460 WeakPolarHBondContact CB-SG 3.46Å; C446-C460 WeakPolarHBondContact SG-CB 3.37Å; C446-C460 CovalentContact SG-SG 2.01Å; C446-C460 PolarHBondContact SG-SG 2.95Å | ||
| 447 | N | 83.2 | Confident | 74.7 | Confident | 112 Ų | 112 | 61.7 Ų | 61.7 | 60% | 0.599 | 35% | 0.347 | S | S | * | . | trans | 64.3 | 52.5 | 176.6 | -55 | -40 | 0 | 0 | 0 | 116.1 | ||||
| 448 | C | 85.5 | Confident | 74.8 | Confident | 13 Ų | 13 | 61.7 Ų | 61.7 | 9% | 0.088 | 34% | 0.341 | C | S | . | . | trans | -78.5 | 145.2 | 172.2 | -51.2 | 0 | 0 | 0 | 0 | 112.2 | E450 S453 P458 C467 | C448-E450 PolarHBondContact O-N 2.92Å; C448-S453 VanDerWaalsContact CB-OG 3.29Å; C448-S453 WeakPolarHBondContact CB-OG 3.46Å; C448-P458 HydrophobicContact CB-CB 3.89Å; C448-C467 WeakPolarHBondContact CA-SG 3.46Å; C448-C467 HydrophobicContact CB-CB 3.63Å; C448-C467 WeakPolarHBondContact CB-SG 3.37Å; C448-C467 WeakPolarHBondContact SG-CB 3.44Å; C448-C467 CovalentContact SG-SG 2.02Å; C448-C467 PolarHBondContact SG-SG 2.95Å | ||
| 449 | N | 83.3 | Confident | 74.9 | Confident | 69 Ų | 69 | 58.2 Ų | 58.2 | 37% | 0.369 | 33% | 0.328 | S | S | . | . | trans | -66.5 | 116 | 173.2 | 179.8 | -77.1 | 0 | 0 | 0 | 108.9 | G451 G452 S453 Q477 | N449-G451 PolarHBondContact O-N 3.29Å; N449-G451 PolarHBondContact OD1-N 2.94Å; N449-G451 VanDerWaalsContact OD1-N 3.12Å; N449-G452 PolarHBondContact O-N 3.31Å; N449-G452 PolarHBondContact OD1-N 3.18Å; N449-S453 VanDerWaalsContact O-CB 3.3Å; N449-S453 WeakPolarHBondContact O-CB 3.36Å; N449-S453 PolarHBondContact O-N 3.28Å; N449-S453 PolarHBondContact O-OG 3.42Å; N449-Q477 WeakPolarHBondContact CA-O 3.3Å; N449-Q477 WeakPolarHBondContact CB-O 3.46Å; N449-Q477 PolarHBondContact N-O 3.02Å | ||
| 450 | E | 74.5 | Confident | 75.4 | Confident | 128 Ų | 128 | 54.6 Ų | 54.6 | 60% | 0.598 | 31% | 0.31 | S | S | * | . | G | 310 helix | trans | -53.5 | -52.8 | -176.6 | -169 | 176.3 | 169.1 | 0 | 0 | 111 | C448 G452 S453 N456 P458 | C448-E450 PolarHBondContact O-N 2.92Å; E450-G452 VanDerWaalsContact C-N 3.31Å; E450-G452 PolarHBondContact O-N 2.03Å; E450-S453 PolarHBondContact O-N 3.33Å; E450-N456 HydrophobicContact CG-CB 4.33Å; E450-N456 VanDerWaalsContact CG-O 3.28Å; E450-N456 WeakPolarHBondContact CG-O 3.46Å; E450-N456 CarbonylContact O-C 3.56Å; E450-N456 WeakPolarHBondContact O-CA 3.4Å; E450-N456 PolarHBondContact O-OD1 3.08Å; E450-P458 HydrophobicContact CB-CG 4.31Å; E450-P458 HydrophobicContact CG-CG 4.39Å |
| 451 | G | 71.4 | Confident | 76.2 | Confident | 6 Ų | 6 | 54.2 Ų | 54.2 | 6% | 0.062 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -67.5 | -24.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | N449 N456 K470 S490 | N449-G451 PolarHBondContact O-N 3.29Å; N449-G451 PolarHBondContact OD1-N 2.94Å; N449-G451 VanDerWaalsContact OD1-N 3.12Å; G451-N456 PolarHBondContact O-OD1 3Å; G451-K470 VanDerWaalsContact O-CE 3.24Å; G451-K470 WeakPolarHBondContact O-CE 3.32Å; G451-K470 PolarHBondContact O-NZ 3.41Å; G451-S490 VanDerWaalsContact CA-CA 3.47Å; G451-S490 VanDerWaalsContact CA-CB 3.5Å |
| 452 | G | 79 | Confident | 76.4 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -99.6 | -11.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | N449 E450 C469 K470 C478 | N449-G452 PolarHBondContact O-N 3.31Å; N449-G452 PolarHBondContact OD1-N 3.18Å; E450-G452 VanDerWaalsContact C-N 3.31Å; E450-G452 PolarHBondContact O-N 2.03Å; G452-C469 WeakPolarHBondContact O-CA 3.38Å; G452-K470 WeakPolarHBondContact O-CG 3.41Å; G452-K470 PolarHBondContact O-N 2.91Å; G452-C478 VanDerWaalsContact C-CB 3.44Å; G452-C478 VanDerWaalsContact CA-O 3.31Å; G452-C478 WeakPolarHBondContact CA-O 3.33Å; G452-C478 WeakPolarHBondContact O-CB 3.48Å |
| 453 | S | 77.8 | Confident | 76.3 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 32% | 0.317 | C | S | . | . | B | Isolated β-bridge | trans | -74.8 | 147.1 | 176.8 | -60.2 | 0 | 0 | 0 | 0 | 110.8 | C448 N449 E450 E455 N456 R457 I468 K470 | C448-S453 VanDerWaalsContact CB-OG 3.29Å; C448-S453 WeakPolarHBondContact CB-OG 3.46Å; N449-S453 VanDerWaalsContact O-CB 3.3Å; N449-S453 WeakPolarHBondContact O-CB 3.36Å; N449-S453 PolarHBondContact O-N 3.28Å; N449-S453 PolarHBondContact O-OG 3.42Å; E450-S453 PolarHBondContact O-N 3.33Å; S453-E455 PolarHBondContact O-N 2.86Å; S453-N456 WeakPolarHBondContact O-CA 3.46Å; S453-N456 PolarHBondContact O-N 3.32Å; S453-R457 WeakPolarHBondContact CB-O 3.37Å; S453-I468 CarbonylContact C-O 3.58Å; S453-I468 WeakPolarHBondContact CA-O 3.09Å; S453-K470 WeakPolarHBondContact O-CE 3.37Å; S453-K470 VanDerWaalsContact O-CG 3.29Å; S453-K470 WeakPolarHBondContact O-CG 3.37Å |
| 454 | Y | 73.3 | Confident | 76 | Confident | 132 Ų | 132 | 65.4 Ų | 65.4 | 52% | 0.518 | 34% | 0.341 | S | S | . | . | G | 310 helix | trans | -52.8 | 130.2 | 179.2 | -177.5 | -96.7 | 0 | 0 | 0 | 110.5 | N456 R457 I468 | Y454-N456 PolarHBondContact O-N 3.33Å; Y454-R457 PolarHBondContact O-N 3.45Å; Y454-I468 HydrophobicContact CG-CG2 4.31Å; Y454-I468 PolarHBondContact N-O 2.95Å |
| 455 | E | 65.4 | Low | 76 | Confident | 87 Ų | 87 | 60.9 Ų | 60.9 | 41% | 0.407 | 32% | 0.32 | S | S | . | . | G | 310 helix | trans | 57.9 | 18.3 | -173 | -67.6 | -179.6 | -174.3 | 0 | 0 | 116.5 | S453 R457 T543 | S453-E455 PolarHBondContact O-N 2.86Å; E455-R457 PolarHBondContact O-N 2.81Å; E455-T543 WeakPolarHBondContact OE2-CG2 3.39Å |
| 456 | N | 67.7 | Low | 76.5 | Confident | 35 Ų | 35 | 61.7 Ų | 61.7 | 19% | 0.187 | 32% | 0.318 | C | S | . | . | G | 310 helix | trans | 59.6 | 22.4 | -166.3 | -59.3 | -40.5 | 0 | 0 | 0 | 114.4 | E450 G451 S453 Y454 P458 K470 S490 | E450-N456 HydrophobicContact CG-CB 4.33Å; E450-N456 VanDerWaalsContact CG-O 3.28Å; E450-N456 WeakPolarHBondContact CG-O 3.46Å; E450-N456 CarbonylContact O-C 3.56Å; E450-N456 WeakPolarHBondContact O-CA 3.4Å; E450-N456 PolarHBondContact O-OD1 3.08Å; G451-N456 PolarHBondContact O-OD1 3Å; S453-N456 WeakPolarHBondContact O-CA 3.46Å; S453-N456 PolarHBondContact O-N 3.32Å; Y454-N456 PolarHBondContact O-N 3.33Å; N456-P458 WeakPolarHBondContact O-CD 3.07Å; N456-K470 WeakPolarHBondContact OD1-CE 3.07Å; N456-K470 PolarHBondContact OD1-NZ 2.78Å; N456-S490 PolarHBondContact ND2-O 3.22Å; N456-S490 PolarHBondContact OD1-O 3Å |
| 457 | R | 71.5 | Confident | 76.7 | Confident | 122 Ų | 122 | 61.1 Ų | 61.1 | 46% | 0.46 | 31% | 0.314 | S | S | . | . | trans | -104 | 111.9 | -177.3 | -163.4 | 173.4 | -169.9 | -157.8 | -11.2 | 108.5 | E433 S453 Y454 E455 A459 | E433-R457 IonicContact OE1-CZ 3.39Å; E433-R457 IonicContact OE1-NH1 3.8Å; E433-R457 PolarHBondContact OE1-NH1 3.34Å; E433-R457 IonicContact OE1-NH2 2.73Å; E433-R457 PolarHBondContact OE1-NH2 3.46Å; E433-R457 WeakPolarHBondContact OE2-CD 3.48Å; E433-R457 IonicContact OE2-CZ 3.52Å; E433-R457 IonicContact OE2-NE 3.52Å; E433-R457 PolarHBondContact OE2-NE 3.06Å; E433-R457 IonicContact OE2-NH1 3.8Å; E433-R457 PolarHBondContact OE2-NH1 3.34Å; E433-R457 IonicContact OE2-NH2 3.46Å; E433-R457 PolarHBondContact OE2-NH2 2.85Å; S453-R457 WeakPolarHBondContact CB-O 3.37Å; Y454-R457 PolarHBondContact O-N 3.45Å; E455-R457 PolarHBondContact O-N 2.81Å; R457-A459 VanDerWaalsContact C-N 3.34Å; R457-A459 PolarHBondContact O-N 3.16Å | ||
| 458 | P | 76.4 | Confident | 76.7 | Confident | 38 Ų | 38 | 60.2 Ų | 60.2 | 25% | 0.247 | 31% | 0.308 | C | S | . | . | trans | -58.4 | 103 | 167.8 | -22.2 | 34.2 | 0 | 0 | 0 | 107.8 | D434 C448 E450 N456 | D434-P458 HydrophobicContact CB-CB 4.45Å; D434-P458 WeakPolarHBondContact CB-O 3.47Å; C448-P458 HydrophobicContact CB-CB 3.89Å; E450-P458 HydrophobicContact CB-CG 4.31Å; E450-P458 HydrophobicContact CG-CG 4.39Å; N456-P458 WeakPolarHBondContact O-CD 3.07Å | ||
| 459 | A | 78.4 | Confident | 76.8 | Confident | 15 Ų | 15 | 61.2 Ų | 61.2 | 12% | 0.124 | 32% | 0.315 | C | S | . | . | trans | -139.5 | 127.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 107.3 | R457 C467 I468 | R457-A459 VanDerWaalsContact C-N 3.34Å; R457-A459 PolarHBondContact O-N 3.16Å; A459-C467 WeakPolarHBondContact O-CA 3.49Å; A459-I468 PolarHBondContact O-N 2.95Å; A459-I468 VanDerWaalsContact O-N 3.08Å | ||
| 460 | C | 82.2 | Confident | 76.5 | Confident | 17 Ų | 17 | 58.1 Ų | 58.1 | 12% | 0.115 | 30% | 0.298 | C | S | . | . | B | Isolated β-bridge | trans | -124.3 | 158.7 | 179.1 | 63.4 | 0 | 0 | 0 | 0 | 109.7 | C446 S462 Q466 | C446-C460 HydrophobicContact CB-CB 3.41Å; C446-C460 VanDerWaalsContact CB-CB 3.41Å; C446-C460 WeakPolarHBondContact CB-SG 3.46Å; C446-C460 WeakPolarHBondContact SG-CB 3.37Å; C446-C460 CovalentContact SG-SG 2.01Å; C446-C460 PolarHBondContact SG-SG 2.95Å; C460-S462 PolarHBondContact O-N 2.89Å; C460-Q466 VanDerWaalsContact CA-O 3.24Å; C460-Q466 WeakPolarHBondContact CA-O 3.32Å |
| 461 | D | 77.4 | Confident | 76.9 | Confident | 74 Ų | 74 | 57.8 Ų | 57.8 | 40% | 0.396 | 30% | 0.297 | S | S | . | . | trans | -58.5 | 125.5 | 166.9 | 176.3 | -88.1 | 0 | 0 | 0 | 110.7 | Q463 T464 G465 Q466 | D461-Q463 PolarHBondContact O-N 2.79Å; D461-Q463 PolarHBondContact OD1-N 3.37Å; D461-Q463 VanDerWaalsContact OD1-N 3.12Å; D461-T464 WeakPolarHBondContact CB-OG1 3.29Å; D461-T464 PolarHBondContact O-N 2.79Å; D461-T464 WeakPolarHBondContact OD1-CB 3.33Å; D461-T464 WeakPolarHBondContact OD1-CG2 3.15Å; D461-T464 PolarHBondContact OD1-N 2.8Å; D461-T464 PolarHBondContact OD1-OG1 2.73Å; D461-G465 WeakPolarHBondContact O-CA 3.41Å; D461-G465 PolarHBondContact O-N 3.08Å; D461-Q466 PolarHBondContact N-O 2.84Å; D461-Q466 VanDerWaalsContact N-O 3.11Å | ||
| 462 | S | 69.5 | Low | 77.4 | Confident | 69 Ų | 69 | 58.1 Ų | 58.1 | 48% | 0.483 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | 0.9 | -170.9 | 62 | 0 | 0 | 0 | 0 | 114.6 | F436 G437 C460 | F436-S462 VanDerWaalsContact CA-O 3.31Å; F436-S462 WeakPolarHBondContact CA-O 3.49Å; F436-S462 WeakPolarHBondContact CB-O 3.46Å; G437-S462 PolarHBondContact N-O 3.47Å; C460-S462 PolarHBondContact O-N 2.89Å |
| 463 | Q | 70.5 | Confident | 77.8 | Confident | 163 Ų | 163 | 58.3 Ų | 58.3 | 76% | 0.762 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.6 | -40.3 | 173.8 | -58.5 | -171.4 | 0.3 | 0 | 0 | 112.7 | D461 | D461-Q463 PolarHBondContact O-N 2.79Å; D461-Q463 PolarHBondContact OD1-N 3.37Å; D461-Q463 VanDerWaalsContact OD1-N 3.12Å |
| 464 | T | 77.2 | Confident | 78.1 | Confident | 99 Ų | 99 | 60.1 Ų | 60.1 | 61% | 0.607 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.8 | -19.6 | -169.1 | 65 | 0 | 0 | 0 | 0 | 114.4 | D461 Q466 | D461-T464 WeakPolarHBondContact CB-OG1 3.29Å; D461-T464 PolarHBondContact O-N 2.79Å; D461-T464 WeakPolarHBondContact OD1-CB 3.33Å; D461-T464 WeakPolarHBondContact OD1-CG2 3.15Å; D461-T464 PolarHBondContact OD1-N 2.8Å; D461-T464 PolarHBondContact OD1-OG1 2.73Å; T464-Q466 VanDerWaalsContact C-N 3.35Å; T464-Q466 PolarHBondContact O-N 3.45Å |
| 465 | G | 77.3 | Confident | 78.6 | Confident | 13 Ų | 13 | 55.4 Ų | 55.4 | 13% | 0.134 | 31% | 0.305 | C | S | . | . | trans | 72.9 | 17.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | D461 | D461-G465 WeakPolarHBondContact O-CA 3.41Å; D461-G465 PolarHBondContact O-N 3.08Å | ||
| 466 | Q | 83.7 | Confident | 79.3 | Confident | 84 Ų | 84 | 58.2 Ų | 58.2 | 39% | 0.393 | 32% | 0.316 | S | S | . | . | trans | -79.2 | 124.8 | 174.3 | 174.7 | 56.3 | 47.7 | 0 | 0 | 110.9 | C460 D461 T464 K476 | C460-Q466 VanDerWaalsContact CA-O 3.24Å; C460-Q466 WeakPolarHBondContact CA-O 3.32Å; D461-Q466 PolarHBondContact N-O 2.84Å; D461-Q466 VanDerWaalsContact N-O 3.11Å; T464-Q466 VanDerWaalsContact C-N 3.35Å; T464-Q466 PolarHBondContact O-N 3.45Å; Q466-K476 PolarHBondContact NE2-O 2.77Å | ||
| 467 | C | 85.2 | Confident | 80.2 | Confident | 7 Ų | 7 | 61.3 Ų | 61.3 | 5% | 0.047 | 33% | 0.329 | C | S | . | . | B | Isolated β-bridge | trans | -73.5 | 148.3 | 179.1 | -58.4 | 0 | 0 | 0 | 0 | 112.6 | C448 A459 K476 | C448-C467 WeakPolarHBondContact CA-SG 3.46Å; C448-C467 HydrophobicContact CB-CB 3.63Å; C448-C467 WeakPolarHBondContact CB-SG 3.37Å; C448-C467 WeakPolarHBondContact SG-CB 3.44Å; C448-C467 CovalentContact SG-SG 2.02Å; C448-C467 PolarHBondContact SG-SG 2.95Å; A459-C467 WeakPolarHBondContact O-CA 3.49Å; C467-K476 VanDerWaalsContact CB-O 3.27Å; C467-K476 WeakPolarHBondContact CB-O 3.07Å; C467-K476 PolarHBondContact SG-O 2.74Å |
| 468 | I | 83.5 | Confident | 81.1 | Confident | 93 Ų | 93 | 55.5 Ų | 55.5 | 48% | 0.477 | 31% | 0.307 | S | S | . | . | trans | -95.2 | 112.1 | 176.8 | -52 | 172.9 | 0 | 0 | 0 | 108.3 | S453 Y454 A459 | S453-I468 CarbonylContact C-O 3.58Å; S453-I468 WeakPolarHBondContact CA-O 3.09Å; Y454-I468 HydrophobicContact CG-CG2 4.31Å; Y454-I468 PolarHBondContact N-O 2.95Å; A459-I468 PolarHBondContact O-N 2.95Å; A459-I468 VanDerWaalsContact O-N 3.08Å | ||
| 469 | C | 86.6 | Confident | 81.4 | Confident | 35 Ų | 35 | 57.2 Ų | 57.2 | 24% | 0.236 | 32% | 0.315 | C | S | . | . | B | Isolated β-bridge | trans | -93.1 | 153.2 | -175.4 | -50.6 | 0 | 0 | 0 | 0 | 113 | G452 V473 G475 C478 | G452-C469 WeakPolarHBondContact O-CA 3.38Å; C469-V473 HydrophobicContact CB-CB 4.41Å; C469-G475 PolarHBondContact SG-O 3.32Å; C469-C478 WeakPolarHBondContact CA-SG 3.17Å; C469-C478 HydrophobicContact CB-CB 3.59Å; C469-C478 WeakPolarHBondContact CB-SG 3.42Å; C469-C478 PolarHBondContact N-SG 3.43Å; C469-C478 VanDerWaalsContact N-SG 3.39Å; C469-C478 WeakPolarHBondContact SG-CA 3.5Å; C469-C478 WeakPolarHBondContact SG-CB 3.37Å; C469-C478 CovalentContact SG-SG 2.03Å; C469-C478 PolarHBondContact SG-SG 3.34Å |
| 470 | K | 78.3 | Confident | 81.7 | Confident | 3 Ų | 3 | 62.9 Ų | 62.9 | 1% | 0.013 | 34% | 0.336 | C | S | . | . | trans | -60.7 | 157.8 | 169.5 | -67.3 | 177.3 | 179.9 | 173.1 | 0 | 111.4 | G451 G452 S453 N456 N472 V473 S490 D492 P493 L494 G495 | G451-K470 VanDerWaalsContact O-CE 3.24Å; G451-K470 WeakPolarHBondContact O-CE 3.32Å; G451-K470 PolarHBondContact O-NZ 3.41Å; G452-K470 WeakPolarHBondContact O-CG 3.41Å; G452-K470 PolarHBondContact O-N 2.91Å; S453-K470 WeakPolarHBondContact O-CE 3.37Å; S453-K470 VanDerWaalsContact O-CG 3.29Å; S453-K470 WeakPolarHBondContact O-CG 3.37Å; N456-K470 WeakPolarHBondContact OD1-CE 3.07Å; N456-K470 PolarHBondContact OD1-NZ 2.78Å; K470-N472 VanDerWaalsContact C-N 3.26Å; K470-N472 PolarHBondContact O-N 3.32Å; K470-N472 VanDerWaalsContact O-N 3.13Å; K470-V473 HydrophobicContact CB-CB 4.28Å; K470-V473 HydrophobicContact CB-CG2 3.88Å; K470-V473 PolarHBondContact O-N 3.27Å; K470-S490 PolarHBondContact NZ-O 2.65Å; K470-D492 WeakPolarHBondContact CD-O 3.43Å; K470-D492 WeakPolarHBondContact CE-O 3.07Å; K470-D492 PolarHBondContact NZ-O 2.92Å; K470-P493 WeakPolarHBondContact CD-O 3.43Å; K470-L494 WeakPolarHBondContact CB-O 3.05Å; K470-G495 VanDerWaalsContact CD-CA 3.48Å | ||
| 471 | Q | 81.6 | Confident | 81.9 | Confident | 122 Ų | 122 | 64.3 Ų | 64.3 | 57% | 0.57 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -36.1 | -170.4 | -174.2 | 164.9 | -0.1 | 0 | 0 | 113.9 | K482 L494 | Q471-K482 VanDerWaalsContact O-CD 3.3Å; Q471-K482 WeakPolarHBondContact O-CD 3.38Å; Q471-K482 WeakPolarHBondContact O-CE 3.35Å; Q471-K482 PolarHBondContact O-NZ 2.77Å; Q471-L494 HydrophobicContact CB-CD2 4.07Å |
| 472 | N | 82.8 | Confident | 82.3 | Confident | 13 Ų | 13 | 65.3 Ų | 65.3 | 7% | 0.07 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | 13.9 | -178.4 | -58.6 | -16.5 | 0 | 0 | 0 | 113 | K470 C481 K482 H485 L494 C496 | K470-N472 VanDerWaalsContact C-N 3.26Å; K470-N472 PolarHBondContact O-N 3.32Å; K470-N472 VanDerWaalsContact O-N 3.13Å; N472-C481 WeakPolarHBondContact O-CA 3.39Å; N472-K482 PolarHBondContact O-N 3.2Å; N472-H485 HydrophobicContact CB-CB 4.33Å; N472-H485 VanDerWaalsContact CG-NE2 3.32Å; N472-H485 PolarHBondContact ND2-CD2 3.05Å; N472-H485 PolarHBondContact ND2-NE2 2.93Å; N472-H485 PolarHBondContact OD1-NE2 2.86Å; N472-L494 WeakPolarHBondContact CA-O 3.34Å; N472-L494 HydrophobicContact CB-CB 4.41Å; N472-L494 VanDerWaalsContact CB-O 3.28Å; N472-L494 WeakPolarHBondContact CB-O 3.39Å; N472-L494 PolarHBondContact N-O 3.06Å; N472-L494 WeakPolarHBondContact ND2-CB 3.31Å; N472-C496 HydrophobicContact CB-CB 3.99Å; N472-C496 VanDerWaalsContact CB-O 3.31Å; N472-C496 WeakPolarHBondContact CB-O 3.21Å; N472-C496 PolarHBondContact ND2-O 2.92Å |
| 473 | V | 87.6 | Confident | 82.8 | Confident | 3 Ų | 3 | 70.3 Ų | 70.3 | 2% | 0.018 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 149 | -178.9 | -171.5 | 0 | 0 | 0 | 0 | 110.5 | C469 K470 C478 K480 K482 L488 | C469-V473 HydrophobicContact CB-CB 4.41Å; K470-V473 HydrophobicContact CB-CB 4.28Å; K470-V473 HydrophobicContact CB-CG2 3.88Å; K470-V473 PolarHBondContact O-N 3.27Å; V473-C478 HydrophobicContact CG1-CB 4.05Å; V473-C478 WeakPolarHBondContact CG1-O 3.36Å; V473-K480 CarbonylContact C-O 3.49Å; V473-K480 VanDerWaalsContact CA-O 3.3Å; V473-K480 WeakPolarHBondContact CA-O 3.48Å; V473-K480 WeakPolarHBondContact CG1-O 3.32Å; V473-K482 VanDerWaalsContact O-CE 3.26Å; V473-K482 WeakPolarHBondContact O-CE 3.4Å; V473-L488 HydrophobicContact CG1-CD1 4.23Å; V473-L488 HydrophobicContact CG2-CD1 3.51Å |
| 474 | A | 83.8 | Confident | 83.3 | Confident | 39 Ų | 39 | 63.8 Ų | 63.8 | 32% | 0.322 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 162.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111 | D479 K480 K482 | A474-D479 PolarHBondContact O-N 3.27Å; A474-K480 PolarHBondContact N-O 2.99Å; A474-K480 PolarHBondContact O-N 3.42Å; A474-K482 HydrophobicContact CB-CG 4.16Å |
| 475 | G | 83.2 | Confident | 83.7 | Confident | 33 Ų | 33 | 61.5 Ų | 61.5 | 34% | 0.34 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 119.7 | 155 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | C469 Q477 C478 | C469-G475 PolarHBondContact SG-O 3.32Å; G475-Q477 PolarHBondContact O-N 2.96Å; G475-C478 PolarHBondContact O-N 3.22Å; G475-C478 VanDerWaalsContact O-N 3.15Å |
| 476 | K | 81.8 | Confident | 84.1 | Confident | 146 Ų | 146 | 61.2 Ų | 61.2 | 64% | 0.635 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -31.9 | 179.7 | -164.5 | -167.2 | 175.3 | -174.8 | 0 | 111.8 | Q466 C467 | Q466-K476 PolarHBondContact NE2-O 2.77Å; C467-K476 VanDerWaalsContact CB-O 3.27Å; C467-K476 WeakPolarHBondContact CB-O 3.07Å; C467-K476 PolarHBondContact SG-O 2.74Å |
| 477 | Q | 86.5 | Confident | 84 | Confident | 100 Ų | 100 | 57.7 Ų | 57.7 | 47% | 0.467 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.9 | 6.1 | -179.5 | -66.9 | 172 | -34.6 | 0 | 0 | 112.5 | N449 G475 | N449-Q477 WeakPolarHBondContact CA-O 3.3Å; N449-Q477 WeakPolarHBondContact CB-O 3.46Å; N449-Q477 PolarHBondContact N-O 3.02Å; G475-Q477 PolarHBondContact O-N 2.96Å |
| 478 | C | 89.4 | Confident | 83.8 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 65.3 | 53.6 | 179.7 | -44.2 | 0 | 0 | 0 | 0 | 115.5 | G452 C469 V473 G475 | G452-C478 VanDerWaalsContact C-CB 3.44Å; G452-C478 VanDerWaalsContact CA-O 3.31Å; G452-C478 WeakPolarHBondContact CA-O 3.33Å; G452-C478 WeakPolarHBondContact O-CB 3.48Å; C469-C478 WeakPolarHBondContact CA-SG 3.17Å; C469-C478 HydrophobicContact CB-CB 3.59Å; C469-C478 WeakPolarHBondContact CB-SG 3.42Å; C469-C478 PolarHBondContact N-SG 3.43Å; C469-C478 VanDerWaalsContact N-SG 3.39Å; C469-C478 WeakPolarHBondContact SG-CA 3.5Å; C469-C478 WeakPolarHBondContact SG-CB 3.37Å; C469-C478 CovalentContact SG-SG 2.03Å; C469-C478 PolarHBondContact SG-SG 3.34Å; V473-C478 HydrophobicContact CG1-CB 4.05Å; V473-C478 WeakPolarHBondContact CG1-O 3.36Å; G475-C478 PolarHBondContact O-N 3.22Å; G475-C478 VanDerWaalsContact O-N 3.15Å |
| 479 | D | 82.8 | Confident | 83.4 | Confident | 74 Ų | 74 | 55.6 Ų | 55.6 | 40% | 0.396 | 30% | 0.295 | S | S | . | . | trans | -112.8 | -1.6 | -171.7 | 62.7 | -43.1 | 0 | 0 | 0 | 115.4 | A474 | A474-D479 PolarHBondContact O-N 3.27Š| ||
| 480 | K | 85 | Confident | 82.4 | Confident | 134 Ų | 134 | 55.4 Ų | 55.4 | 58% | 0.583 | 29% | 0.294 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132 | 142.1 | -172 | -59.9 | 179.7 | -175.5 | 179.3 | 0 | 113.3 | V473 A474 | V473-K480 CarbonylContact C-O 3.49Å; V473-K480 VanDerWaalsContact CA-O 3.3Å; V473-K480 WeakPolarHBondContact CA-O 3.48Å; V473-K480 WeakPolarHBondContact CG1-O 3.32Å; A474-K480 PolarHBondContact N-O 2.99Å; A474-K480 PolarHBondContact O-N 3.42Å |
| 481 | C | 86.2 | Confident | 81.8 | Confident | 46 Ų | 46 | 58 Ų | 58 | 31% | 0.311 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 145.7 | 172.4 | -63.1 | 0 | 0 | 0 | 0 | 112.3 | N472 H485 C496 | N472-C481 WeakPolarHBondContact O-CA 3.39Å; C481-H485 HydrophobicContact CB-CB 4.5Å; C481-C496 WeakPolarHBondContact CA-SG 3.47Å; C481-C496 HydrophobicContact CB-CB 3.76Å; C481-C496 WeakPolarHBondContact CB-SG 3.28Å; C481-C496 WeakPolarHBondContact SG-CB 3.25Å; C481-C496 CovalentContact SG-SG 2.03Å; C481-C496 PolarHBondContact SG-SG 3.17Å |
| 482 | K | 85.3 | Confident | 80.9 | Confident | 96 Ų | 96 | 52.5 Ų | 52.5 | 42% | 0.417 | 28% | 0.282 | S | S | . | . | P | Polyproline II helix | trans | -69.5 | 158 | 169.3 | -68.6 | -175.7 | -176.6 | 175 | 0 | 110.9 | Q471 N472 V473 A474 H485 | Q471-K482 VanDerWaalsContact O-CD 3.3Å; Q471-K482 WeakPolarHBondContact O-CD 3.38Å; Q471-K482 WeakPolarHBondContact O-CE 3.35Å; Q471-K482 PolarHBondContact O-NZ 2.77Å; N472-K482 PolarHBondContact O-N 3.2Å; V473-K482 VanDerWaalsContact O-CE 3.26Å; V473-K482 WeakPolarHBondContact O-CE 3.4Å; A474-K482 HydrophobicContact CB-CG 4.16Å; K482-H485 WeakPolarHBondContact O-CB 3.49Å; K482-H485 PolarHBondContact O-N 3.47Å; K482-H485 VanDerWaalsContact O-N 3.17Å |
| 483 | I | 81.1 | Confident | 80.1 | Confident | 173 Ų | 173 | 55.7 Ų | 55.7 | 89% | 0.887 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | 142.3 | 175.2 | -63 | 171.8 | 0 | 0 | 0 | 109.7 | H485 | I483-H485 VanDerWaalsContact C-N 3.27Å; I483-H485 PolarHBondContact O-N 3.36Å; I483-H485 PolarHBondContact O-ND1 2.99Å |
| 484 | G | 81.4 | Confident | 79.4 | Confident | 26 Ų | 26 | 57.7 Ų | 57.7 | 27% | 0.268 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76 | 12.1 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | C499 | G484-C499 PolarHBondContact O-N 3.13Å; G484-C499 PolarHBondContact O-SG 3.08Å |
| 485 | H | 85.9 | Confident | 79.1 | Confident | 51 Ų | 51 | 55.8 Ų | 55.8 | 24% | 0.236 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 153.8 | 179.4 | -56.2 | 74.4 | 0 | 0 | 0 | 111.4 | N472 C481 K482 I483 C496 K497 P498 | N472-H485 HydrophobicContact CB-CB 4.33Å; N472-H485 VanDerWaalsContact CG-NE2 3.32Å; N472-H485 PolarHBondContact ND2-CD2 3.05Å; N472-H485 PolarHBondContact ND2-NE2 2.93Å; N472-H485 PolarHBondContact OD1-NE2 2.86Å; C481-H485 HydrophobicContact CB-CB 4.5Å; K482-H485 WeakPolarHBondContact O-CB 3.49Å; K482-H485 PolarHBondContact O-N 3.47Å; K482-H485 VanDerWaalsContact O-N 3.17Å; I483-H485 VanDerWaalsContact C-N 3.27Å; I483-H485 PolarHBondContact O-N 3.36Å; I483-H485 PolarHBondContact O-ND1 2.99Å; H485-C496 HydrophobicContact CB-CB 3.87Å; H485-K497 CarbonylContact C-O 3.34Å; H485-K497 WeakPolarHBondContact CA-O 3.4Å; H485-K497 WeakPolarHBondContact CB-O 2.96Å; H485-P498 VanDerWaalsContact CD2-CA 3.43Å; H485-P498 WeakPolarHBondContact CD2-CA 3.41Å |
| 486 | Y | 84.5 | Confident | 79.2 | Confident | 8 Ų | 8 | 54.2 Ų | 54.2 | 3% | 0.031 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 162.6 | -176.5 | 71.8 | -75.9 | 0 | 0 | 0 | 112.9 | K497 C508 L510 R590 E592 | Y486-K497 HydrophobicContact CD1-CB 4.39Å; Y486-K497 VanDerWaalsContact CD1-O 3.26Å; Y486-K497 WeakPolarHBondContact CD1-O 3.31Å; Y486-K497 HydrophobicContact CE1-CB 4.03Å; Y486-K497 HydrophobicContact CE1-CD 4.27Å; Y486-K497 HydrophobicContact CE1-CG 4.13Å; Y486-K497 PolarHBondContact N-O 2.89Å; Y486-K497 PolarHBondContact O-N 2.9Å; Y486-K497 WeakPolarHBondContact OH-CD 3.02Å; Y486-K497 PolarHBondContact OH-NZ 3.32Å; Y486-C508 WeakPolarHBondContact CD1-SG 3.33Å; Y486-L510 HydrophobicContact CD2-CB 4.19Å; Y486-L510 HydrophobicContact CD2-CD1 3.78Å; Y486-L510 HydrophobicContact CE2-CD1 4.09Å; Y486-R590 HydrophobicContact CE2-CB 4.13Å; Y486-E592 HydrophobicContact CE1-CB 3.8Å; Y486-E592 HydrophobicContact CE2-CB 4.03Å; Y486-E592 WeakPolarHBondContact OH-CB 3.22Å; Y486-E592 PolarHBondContact OH-N 2.78Å |
| 487 | G | 82.8 | Confident | 79.1 | Confident | 9 Ų | 9 | 50.8 Ų | 50.8 | 9% | 0.093 | 27% | 0.267 | C | S | . | . | trans | 66.8 | 69.7 | 169.4 | 0 | 0 | 0 | 0 | 0 | 115 | M489 R590 | G487-M489 PolarHBondContact O-N 3.21Å; G487-R590 VanDerWaalsContact O-CD 3.3Å; G487-R590 WeakPolarHBondContact O-CD 3.27Å; G487-R590 PolarHBondContact O-NH1 3.35Å | ||
| 488 | L | 80.3 | Confident | 78.9 | Confident | 48 Ų | 48 | 48.5 Ų | 48.5 | 25% | 0.251 | 26% | 0.261 | S | S | . | . | trans | -59 | 120.8 | 174.5 | -178.4 | 62.1 | 0 | 0 | 0 | 110.5 | V473 G495 | V473-L488 HydrophobicContact CG1-CD1 4.23Å; V473-L488 HydrophobicContact CG2-CD1 3.51Å; L488-G495 CarbonylContact C-O 3.46Å; L488-G495 VanDerWaalsContact CA-O 3.26Å; L488-G495 WeakPolarHBondContact CA-O 3.09Å | ||
| 489 | M | 74.2 | Confident | 78.6 | Confident | 8 Ų | 8 | 49.6 Ų | 49.6 | 4% | 0.039 | 27% | 0.268 | C | S | . | . | trans | -135.5 | 144.4 | 170.1 | -54 | -165.4 | -48.1 | 0 | 0 | 111.5 | G487 N491 D492 G495 L528 R590 | G487-M489 PolarHBondContact O-N 3.21Å; M489-N491 WeakPolarHBondContact CB-OD1 3.34Å; M489-N491 WeakPolarHBondContact CE-OD1 3.44Å; M489-D492 HydrophobicContact CB-CB 4.36Å; M489-D492 PolarHBondContact O-N 3.01Å; M489-G495 PolarHBondContact N-O 2.89Å; M489-L528 HydrophobicContact CG-CB 3.99Å; M489-L528 HydrophobicContact CG-CD1 4Å; M489-L528 HydrophobicContact CG-CD2 4.46Å; M489-L528 HydrophobicContact CG-CG 4.38Å; M489-L528 HydrophobicContact SD-CB 3.95Å; M489-L528 HydrophobicContact SD-CD1 4.49Å; M489-L528 HydrophobicContact SD-CD2 3.87Å; M489-L528 HydrophobicContact SD-CG 4.33Å; M489-R590 VanDerWaalsContact SD-CD 3.6Å; M489-R590 HydrophobicContact SD-CG 4Å | ||
| 490 | S | 66.2 | Low | 78.5 | Confident | 31 Ų | 31 | 50.8 Ų | 50.8 | 22% | 0.217 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -45 | 174.7 | 45 | 0 | 0 | 0 | 0 | 112.3 | G451 N456 K470 D492 E529 | G451-S490 VanDerWaalsContact CA-CA 3.47Å; G451-S490 VanDerWaalsContact CA-CB 3.5Å; N456-S490 PolarHBondContact ND2-O 3.22Å; N456-S490 PolarHBondContact OD1-O 3Å; K470-S490 PolarHBondContact NZ-O 2.65Å; S490-D492 PolarHBondContact O-N 3.4Å; S490-D492 VanDerWaalsContact O-N 3.15Å; S490-E529 VanDerWaalsContact CB-OE1 3.32Å; S490-E529 WeakPolarHBondContact CB-OE1 3.36Å; S490-E529 PolarHBondContact OG-OE1 3.47Å |
| 491 | N | 64.7 | Low | 78.4 | Confident | 58 Ų | 58 | 44.4 Ų | 44.4 | 31% | 0.31 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -3.8 | 178.1 | 58.1 | -2.7 | 0 | 0 | 0 | 115.6 | M489 T537 | M489-N491 WeakPolarHBondContact CB-OD1 3.34Å; M489-N491 WeakPolarHBondContact CE-OD1 3.44Å; N491-T537 HydrophobicContact CB-CG2 4.44Å |
| 492 | D | 64.2 | Low | 78.2 | Confident | 7 Ų | 7 | 42.3 Ų | 42.3 | 4% | 0.037 | 23% | 0.232 | C | C | . | . | trans | -88.9 | 116.6 | 173.3 | -177 | -15.9 | 0 | 0 | 0 | 110.3 | K470 M489 S490 L494 G495 R590 | K470-D492 WeakPolarHBondContact CD-O 3.43Å; K470-D492 WeakPolarHBondContact CE-O 3.07Å; K470-D492 PolarHBondContact NZ-O 2.92Å; M489-D492 HydrophobicContact CB-CB 4.36Å; M489-D492 PolarHBondContact O-N 3.01Å; S490-D492 PolarHBondContact O-N 3.4Å; S490-D492 VanDerWaalsContact O-N 3.15Å; D492-L494 PolarHBondContact O-N 3.09Å; D492-L494 PolarHBondContact OD1-N 3.11Å; D492-G495 VanDerWaalsContact O-CA 3.31Å; D492-G495 WeakPolarHBondContact O-CA 3.35Å; D492-G495 PolarHBondContact O-N 3.32Å; D492-G495 PolarHBondContact OD1-N 2.75Å; D492-R590 IonicContact OD2-CZ 3.47Å; D492-R590 IonicContact OD2-NH1 3.45Å; D492-R590 PolarHBondContact OD2-NH1 3.31Å; D492-R590 IonicContact OD2-NH2 3.52Å | ||
| 493 | P | 65.1 | Low | 77.9 | Confident | 79 Ų | 79 | 43.8 Ų | 43.8 | 51% | 0.513 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -25.8 | -179.4 | 22.8 | -31.7 | 0 | 0 | 0 | 113.9 | K470 | K470-P493 WeakPolarHBondContact CD-O 3.43Š|
| 494 | L | 73 | Confident | 77.8 | Confident | 45 Ų | 45 | 37.2 Ų | 37.2 | 24% | 0.236 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | -12.5 | 172.9 | -58.4 | 175.6 | 0 | 0 | 0 | 112.2 | K470 Q471 N472 D492 C496 | K470-L494 WeakPolarHBondContact CB-O 3.05Å; Q471-L494 HydrophobicContact CB-CD2 4.07Å; N472-L494 WeakPolarHBondContact CA-O 3.34Å; N472-L494 HydrophobicContact CB-CB 4.41Å; N472-L494 VanDerWaalsContact CB-O 3.28Å; N472-L494 WeakPolarHBondContact CB-O 3.39Å; N472-L494 PolarHBondContact N-O 3.06Å; N472-L494 WeakPolarHBondContact ND2-CB 3.31Å; D492-L494 PolarHBondContact O-N 3.09Å; D492-L494 PolarHBondContact OD1-N 3.11Å; L494-C496 PolarHBondContact O-N 3.39Å; L494-C496 VanDerWaalsContact O-N 3.15Å |
| 495 | G | 78.2 | Confident | 77.9 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 21% | 0.207 | C | C | . | . | S | Bend | trans | 85.4 | -52.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | K470 L488 M489 D492 | K470-G495 VanDerWaalsContact CD-CA 3.48Å; L488-G495 CarbonylContact C-O 3.46Å; L488-G495 VanDerWaalsContact CA-O 3.26Å; L488-G495 WeakPolarHBondContact CA-O 3.09Å; M489-G495 PolarHBondContact N-O 2.89Å; D492-G495 VanDerWaalsContact O-CA 3.31Å; D492-G495 WeakPolarHBondContact O-CA 3.35Å; D492-G495 PolarHBondContact O-N 3.32Å; D492-G495 PolarHBondContact OD1-N 2.75Å |
| 496 | C | 85.7 | Confident | 77.6 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -120.8 | 148.3 | 174.8 | -56.4 | 0 | 0 | 0 | 0 | 110.8 | N472 C481 H485 L494 | N472-C496 HydrophobicContact CB-CB 3.99Å; N472-C496 VanDerWaalsContact CB-O 3.31Å; N472-C496 WeakPolarHBondContact CB-O 3.21Å; N472-C496 PolarHBondContact ND2-O 2.92Å; C481-C496 WeakPolarHBondContact CA-SG 3.47Å; C481-C496 HydrophobicContact CB-CB 3.76Å; C481-C496 WeakPolarHBondContact CB-SG 3.28Å; C481-C496 WeakPolarHBondContact SG-CB 3.25Å; C481-C496 CovalentContact SG-SG 2.03Å; C481-C496 PolarHBondContact SG-SG 3.17Å; H485-C496 HydrophobicContact CB-CB 3.87Å; L494-C496 PolarHBondContact O-N 3.39Å; L494-C496 VanDerWaalsContact O-N 3.15Å |
| 497 | K | 79.3 | Confident | 77.5 | Confident | 73 Ų | 73 | 45.3 Ų | 45.3 | 32% | 0.317 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 135.5 | 179.9 | -170.2 | 174.5 | 169.7 | -168.7 | 0 | 110.5 | H485 Y486 | H485-K497 CarbonylContact C-O 3.34Å; H485-K497 WeakPolarHBondContact CA-O 3.4Å; H485-K497 WeakPolarHBondContact CB-O 2.96Å; Y486-K497 HydrophobicContact CD1-CB 4.39Å; Y486-K497 VanDerWaalsContact CD1-O 3.26Å; Y486-K497 WeakPolarHBondContact CD1-O 3.31Å; Y486-K497 HydrophobicContact CE1-CB 4.03Å; Y486-K497 HydrophobicContact CE1-CD 4.27Å; Y486-K497 HydrophobicContact CE1-CG 4.13Å; Y486-K497 PolarHBondContact N-O 2.89Å; Y486-K497 PolarHBondContact O-N 2.9Å; Y486-K497 WeakPolarHBondContact OH-CD 3.02Å; Y486-K497 PolarHBondContact OH-NZ 3.32Å |
| 498 | P | 82.5 | Confident | 77.6 | Confident | 53 Ų | 53 | 46.2 Ų | 46.2 | 34% | 0.344 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 146.8 | 172.9 | 26.8 | -33.2 | 0 | 0 | 0 | 111.1 | H485 L500 | H485-P498 VanDerWaalsContact CD2-CA 3.43Å; H485-P498 WeakPolarHBondContact CD2-CA 3.41Å; P498-L500 PolarHBondContact O-N 2.99Å |
| 499 | C | 82.9 | Confident | 77.9 | Confident | 22 Ų | 22 | 50.4 Ų | 50.4 | 15% | 0.149 | 28% | 0.275 | C | S | . | . | P | Polyproline II helix | trans | -64.1 | 121.8 | 169.2 | -63 | 0 | 0 | 0 | 0 | 109.4 | G484 C508 E592 | G484-C499 PolarHBondContact O-N 3.13Å; G484-C499 PolarHBondContact O-SG 3.08Å; C499-C508 WeakPolarHBondContact CA-SG 3.5Å; C499-C508 HydrophobicContact CB-CB 3.76Å; C499-C508 WeakPolarHBondContact CB-SG 3.24Å; C499-C508 WeakPolarHBondContact SG-CB 3.48Å; C499-C508 PolarHBondContact SG-N 2.76Å; C499-C508 CovalentContact SG-SG 2.03Å; C499-C508 PolarHBondContact SG-SG 2.93Å; C499-E592 WeakPolarHBondContact CA-OE2 3.42Å |
| 500 | L | 79.8 | Confident | 78.3 | Confident | 99 Ų | 99 | 51.9 Ų | 51.9 | 52% | 0.518 | 28% | 0.283 | S | S | . | . | trans | -95.2 | -50.9 | 178.3 | -166.9 | 73.7 | 0 | 0 | 0 | 110.3 | P498 S502 L503 E592 | P498-L500 PolarHBondContact O-N 2.99Å; L500-S502 PolarHBondContact O-N 2.93Å; L500-L503 PolarHBondContact O-N 3.48Å; L500-E592 WeakPolarHBondContact CB-OE1 3.08Å; L500-E592 PolarHBondContact N-OE2 2.98Å | ||
| 501 | C | 83.4 | Confident | 79.2 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | 43 | 34.6 | 175.2 | -55.3 | 0 | 0 | 0 | 0 | 114.5 | L503 H504 S505 E592 C594 S604 | C501-L503 PolarHBondContact O-N 3.18Å; C501-H504 PolarHBondContact O-N 3.27Å; C501-S505 VanDerWaalsContact CB-O 3.28Å; C501-S505 WeakPolarHBondContact CB-O 3.4Å; C501-E592 PolarHBondContact N-OE1 3.41Å; C501-C594 WeakPolarHBondContact CA-SG 3.39Å; C501-C594 HydrophobicContact CB-CB 3.63Å; C501-C594 WeakPolarHBondContact CB-SG 3.4Å; C501-C594 WeakPolarHBondContact SG-CB 3.3Å; C501-C594 CovalentContact SG-SG 2.02Å; C501-C594 PolarHBondContact SG-SG 3.47Å; C501-S604 CarbonylContact C-O 3.57Å; C501-S604 WeakPolarHBondContact CA-O 3.35Å |
| 502 | S | 80.9 | Confident | 79.6 | Confident | 2 Ų | 2 | 54.4 Ų | 54.4 | 1% | 0.014 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | 49.7 | 27.6 | -172.4 | -50.1 | 0 | 0 | 0 | 0 | 114.4 | L500 H504 S604 E606 T622 | L500-S502 PolarHBondContact O-N 2.93Å; S502-H504 PolarHBondContact O-CD2 3.42Å; S502-H504 VanDerWaalsContact O-CD2 3.26Å; S502-H504 PolarHBondContact O-CE1 3.2Å; S502-H504 PolarHBondContact O-N 3.4Å; S502-H504 PolarHBondContact O-NE2 3.09Å; S502-H504 VanDerWaalsContact O-NE2 3.15Å; S502-S604 WeakPolarHBondContact CB-O 3.15Å; S502-S604 PolarHBondContact N-O 2.81Å; S502-S604 PolarHBondContact OG-O 2.67Å; S502-E606 WeakPolarHBondContact OG-CA 3.39Å; S502-T622 WeakPolarHBondContact O-CA 3.43Å |
| 503 | L | 78.9 | Confident | 80 | Confident | 128 Ų | 128 | 60.5 Ų | 60.5 | 67% | 0.67 | 32% | 0.318 | S | S | * | . | G | 310 helix | trans | 62.9 | 13.3 | -172.7 | -54.7 | 177 | 0 | 0 | 0 | 115.4 | L500 C501 T622 | L500-L503 PolarHBondContact O-N 3.48Å; C501-L503 PolarHBondContact O-N 3.18Å; L503-T622 HydrophobicContact CB-CG2 4.3Å; L503-T622 HydrophobicContact CD1-CG2 3.65Å; L503-T622 HydrophobicContact CG-CG2 3.83Å |
| 504 | H | 80.7 | Confident | 80.4 | Confident | 34 Ų | 34 | 60.1 Ų | 60.1 | 16% | 0.157 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -96 | -7.7 | 179.5 | -56.6 | -50.3 | 0 | 0 | 0 | 113.4 | C501 S502 P597 Y600 C605 I621 T622 D623 | C501-H504 PolarHBondContact O-N 3.27Å; S502-H504 PolarHBondContact O-CD2 3.42Å; S502-H504 VanDerWaalsContact O-CD2 3.26Å; S502-H504 PolarHBondContact O-CE1 3.2Å; S502-H504 PolarHBondContact O-N 3.4Å; S502-H504 PolarHBondContact O-NE2 3.09Å; S502-H504 VanDerWaalsContact O-NE2 3.15Å; H504-P597 HydrophobicContact CB-CG 4.37Å; H504-P597 WeakPolarHBondContact O-CG 3.44Å; H504-Y600 HydrophobicContact CB-CD2 4.31Å; H504-Y600 HydrophobicContact CB-CE2 4.37Å; H504-Y600 HydrophobicContact CB-CG 4.47Å; H504-Y600 AromaticContact CD2-CD1 3.48Å; H504-Y600 VanDerWaalsContact CD2-CD1 3.48Å; H504-Y600 WeakPolarHBondContact CD2-CD1 3.5Å; H504-Y600 AromaticContact CD2-CE1 3.38Å; H504-Y600 WeakPolarHBondContact CD2-CE1 3.27Å; H504-Y600 AromaticContact CD2-CZ 3.89Å; H504-Y600 AromaticContact CE1-CE1 3.36Å; H504-Y600 WeakPolarHBondContact CE1-CE1 3.48Å; H504-Y600 AromaticContact CE1-CZ 3.43Å; H504-Y600 VanDerWaalsContact CE1-CZ 3.43Å; H504-Y600 PolarHBondContact CE1-OH 3.4Å; H504-Y600 VanDerWaalsContact CE1-OH 3.25Å; H504-Y600 AromaticContact CG-CD1 3.93Å; H504-Y600 AromaticContact CG-CE1 3.67Å; H504-Y600 AromaticContact CG-CE2 3.96Å; H504-Y600 AromaticContact CG-CZ 3.68Å; H504-Y600 AromaticContact ND1-CE1 3.65Å; H504-Y600 AromaticContact ND1-CE2 3.88Å; H504-Y600 AromaticContact ND1-CZ 3.35Å; H504-Y600 VanDerWaalsContact ND1-CZ 3.35Å; H504-Y600 PolarHBondContact ND1-OH 3.18Å; H504-Y600 AromaticContact NE2-CD1 3.72Å; H504-Y600 AromaticContact NE2-CE1 3.18Å; H504-Y600 WeakPolarHBondContact NE2-CE1 3.47Å; H504-Y600 AromaticContact NE2-CZ 3.75Å; H504-C605 HydrophobicContact CB-CB 4.09Å; H504-C605 PolarHBondContact CD2-O 2.94Å; H504-I621 PolarHBondContact NE2-O 3.09Å; H504-T622 PolarHBondContact CE1-O 3.35Å; H504-T622 VanDerWaalsContact CE1-O 3.29Å; H504-D623 PolarHBondContact CE1-O 2.02Å |
| 505 | S | 82.3 | Confident | 80.1 | Confident | 30 Ų | 30 | 58.3 Ų | 58.3 | 21% | 0.21 | 30% | 0.299 | C | S | . | . | trans | -155.2 | 153 | 178.7 | -171.7 | 0 | 0 | 0 | 0 | 111.3 | C501 E507 T595 | C501-S505 VanDerWaalsContact CB-O 3.28Å; C501-S505 WeakPolarHBondContact CB-O 3.4Å; S505-E507 PolarHBondContact OG-N 3.05Å; S505-T595 WeakPolarHBondContact CB-O 3.29Å; S505-T595 PolarHBondContact OG-O 3.1Å | ||
| 506 | S | 80.5 | Confident | 79.5 | Confident | 91 Ų | 91 | 58.8 Ų | 58.8 | 64% | 0.636 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -113.4 | 5.8 | 174.7 | 61.7 | 0 | 0 | 0 | 0 | 113.1 | ||
| 507 | E | 81.4 | Confident | 78.7 | Confident | 134 Ų | 134 | 63 Ų | 63 | 63% | 0.626 | 33% | 0.325 | S | S | * | . | trans | -111.8 | 112.9 | -178.6 | -70.3 | -171.7 | 173.6 | 0 | 0 | 110.3 | S505 T595 | S505-E507 PolarHBondContact OG-N 3.05Å; E507-T595 PolarHBondContact O-N 3.47Å | ||
| 508 | C | 85.7 | Confident | 78.1 | Confident | 28 Ų | 28 | 62.9 Ų | 62.9 | 19% | 0.189 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 162.5 | 178.3 | 78.1 | 0 | 0 | 0 | 0 | 112.3 | Y486 C499 E592 I593 | Y486-C508 WeakPolarHBondContact CD1-SG 3.33Å; C499-C508 WeakPolarHBondContact CA-SG 3.5Å; C499-C508 HydrophobicContact CB-CB 3.76Å; C499-C508 WeakPolarHBondContact CB-SG 3.24Å; C499-C508 WeakPolarHBondContact SG-CB 3.48Å; C499-C508 PolarHBondContact SG-N 2.76Å; C499-C508 CovalentContact SG-SG 2.03Å; C499-C508 PolarHBondContact SG-SG 2.93Å; C508-E592 HydrophobicContact CB-CB 4.09Å; C508-I593 VanDerWaalsContact CA-O 3.27Å; C508-I593 WeakPolarHBondContact CA-O 3.32Å |
| 509 | K | 85.8 | Confident | 77.1 | Confident | 136 Ų | 136 | 61.8 Ų | 61.8 | 59% | 0.591 | 33% | 0.326 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 162 | 173.1 | 61.6 | -178.4 | 179.4 | 177.7 | 0 | 110.5 | E592 I593 | K509-E592 WeakPolarHBondContact O-CA 3.48Å; K509-I593 HydrophobicContact CG-CB 4.28Å; K509-I593 HydrophobicContact CG-CG2 4.49Å; K509-I593 PolarHBondContact N-O 2.96Å; K509-I593 VanDerWaalsContact N-O 3.1Å; K509-I593 PolarHBondContact O-N 3.25Å |
| 510 | L | 83.5 | Confident | 76.4 | Confident | 40 Ų | 40 | 63.6 Ų | 63.6 | 21% | 0.209 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 132.2 | 173.4 | -171.5 | 70.8 | 0 | 0 | 0 | 110.3 | Y486 E512 L515 L528 R590 | Y486-L510 HydrophobicContact CD2-CB 4.19Å; Y486-L510 HydrophobicContact CD2-CD1 3.78Å; Y486-L510 HydrophobicContact CE2-CD1 4.09Å; L510-E512 PolarHBondContact O-N 3.35Å; L510-E512 VanDerWaalsContact O-N 3.11Å; L510-L515 HydrophobicContact CD1-CD1 3.75Å; L510-L515 HydrophobicContact CD2-CD1 3.83Å; L510-L515 HydrophobicContact CG-CD1 3.71Å; L510-L528 HydrophobicContact CD2-CD1 4.04Å; L510-R590 HydrophobicContact CD1-CB 4Å; L510-R590 HydrophobicContact CD1-CG 4.02Å |
| 511 | D | 83.6 | Confident | 76 | Confident | 2 Ų | 2 | 66 Ų | 66 | 1% | 0.011 | 35% | 0.351 | C | S | . | . | trans | -79.5 | 85.1 | 174.4 | -170 | -15.6 | 0 | 0 | 0 | 110.7 | E513 H514 L515 S591 I593 K603 | D511-E513 PolarHBondContact O-N 3.47Å; D511-E513 PolarHBondContact OD1-N 2.97Å; D511-H514 HydrophobicContact CB-CB 3.93Å; D511-H514 PolarHBondContact O-N 2.73Å; D511-H514 PolarHBondContact OD1-N 3.1Å; D511-H514 WeakPolarHBondContact OD2-CB 3.2Å; D511-L515 PolarHBondContact O-N 3.49Å; D511-L515 VanDerWaalsContact O-N 3.11Å; D511-S591 WeakPolarHBondContact CB-O 3.18Å; D511-S591 PolarHBondContact N-O 2.74Å; D511-I593 HydrophobicContact CB-CD1 3.75Å; D511-I593 HydrophobicContact CB-CG1 3.88Å; D511-I593 WeakPolarHBondContact OD2-CD1 3.33Å; D511-K603 IonicContact OD2-NZ 3.3Å; D511-K603 PolarHBondContact OD2-NZ 2.92Å | ||
| 512 | E | 75.1 | Confident | 74.9 | Confident | 139 Ų | 139 | 70.9 Ų | 70.9 | 65% | 0.65 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -62.6 | -29.6 | 179.1 | -65.2 | -173.3 | 172.5 | 0 | 0 | 112.7 | L510 L515 S516 | L510-E512 PolarHBondContact O-N 3.35Å; L510-E512 VanDerWaalsContact O-N 3.11Å; E512-L515 WeakPolarHBondContact O-CB 3.41Å; E512-L515 PolarHBondContact O-N 3.23Å; E512-S516 PolarHBondContact O-N 3.46Å |
| 513 | E | 72.5 | Confident | 74.1 | Confident | 136 Ų | 136 | 74.4 Ų | 74.4 | 64% | 0.636 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -69.3 | -45.7 | 178.6 | -170.3 | -178.7 | 179.5 | 0 | 0 | 110.6 | D511 L515 S516 N517 | D511-E513 PolarHBondContact O-N 3.47Å; D511-E513 PolarHBondContact OD1-N 2.97Å; E513-L515 VanDerWaalsContact C-N 3.3Å; E513-L515 PolarHBondContact O-N 2.93Å; E513-S516 PolarHBondContact O-N 3.23Å; E513-S516 PolarHBondContact O-OG 3.33Å; E513-N517 PolarHBondContact O-N 3.16Å; E513-N517 VanDerWaalsContact O-N 3.09Å; E513-N517 PolarHBondContact O-ND2 2.99Å; E513-N517 VanDerWaalsContact O-ND2 3.13Å |
| 514 | H | 72.7 | Confident | 73.4 | Confident | 70 Ų | 70 | 73.2 Ų | 73.2 | 32% | 0.324 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -57.6 | -44.8 | 172.5 | -179.2 | 72.6 | 0 | 0 | 0 | 111.5 | D511 S516 N517 V518 | D511-H514 HydrophobicContact CB-CB 3.93Å; D511-H514 PolarHBondContact O-N 2.73Å; D511-H514 PolarHBondContact OD1-N 3.1Å; D511-H514 WeakPolarHBondContact OD2-CB 3.2Å; H514-S516 PolarHBondContact O-N 2.95Å; H514-N517 PolarHBondContact O-N 3.42Å; H514-V518 WeakPolarHBondContact O-CG2 3.34Å; H514-V518 PolarHBondContact O-N 2.85Å |
| 515 | L | 67.7 | Low | 72.5 | Confident | 7 Ų | 7 | 79.4 Ų | 79.4 | 4% | 0.037 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -58 | -47.3 | 177 | -106.3 | 116.5 | 0 | 0 | 0 | 112.7 | L510 D511 E512 E513 N517 V518 A519 L528 L531 P589 | L510-L515 HydrophobicContact CD1-CD1 3.75Å; L510-L515 HydrophobicContact CD2-CD1 3.83Å; L510-L515 HydrophobicContact CG-CD1 3.71Å; D511-L515 PolarHBondContact O-N 3.49Å; D511-L515 VanDerWaalsContact O-N 3.11Å; E512-L515 WeakPolarHBondContact O-CB 3.41Å; E512-L515 PolarHBondContact O-N 3.23Å; E513-L515 VanDerWaalsContact C-N 3.3Å; E513-L515 PolarHBondContact O-N 2.93Å; L515-N517 VanDerWaalsContact C-N 3.27Å; L515-N517 PolarHBondContact O-N 3.09Å; L515-V518 PolarHBondContact O-N 3.35Å; L515-A519 PolarHBondContact O-N 3.45Å; L515-A519 VanDerWaalsContact O-N 3.12Å; L515-L528 HydrophobicContact CD1-CD2 4.28Å; L515-L528 HydrophobicContact CD2-CD2 3.75Å; L515-L528 HydrophobicContact CD2-CG 4.09Å; L515-L528 HydrophobicContact CG-CD2 4.5Å; L515-L531 HydrophobicContact CD2-CD1 3.59Å; L515-L531 HydrophobicContact CG-CD1 4.34Å; L515-P589 WeakPolarHBondContact CD1-O 3.48Å; L515-P589 HydrophobicContact CG-CB 4.46Å |
| 516 | S | 65.4 | Low | 71.6 | Confident | 10 Ų | 10 | 79.5 Ų | 79.5 | 7% | 0.07 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -62.5 | -34.9 | 179.2 | 72.7 | 0 | 0 | 0 | 0 | 112.5 | E512 E513 H514 R521 | E512-S516 PolarHBondContact O-N 3.46Å; E513-S516 PolarHBondContact O-N 3.23Å; E513-S516 PolarHBondContact O-OG 3.33Å; H514-S516 PolarHBondContact O-N 2.95Å; S516-R521 CarbonylContact O-C 3.39Å; S516-R521 VanDerWaalsContact O-C 3.25Å; S516-R521 PolarHBondContact O-N 3.4Å |
| 517 | N | 68.8 | Low | 70.9 | Confident | 89 Ų | 89 | 82.3 Ų | 82.3 | 48% | 0.476 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -72.8 | -42.6 | 176.4 | -72.8 | -37.5 | 0 | 0 | 0 | 112.5 | E513 H514 L515 A519 G520 | E513-N517 PolarHBondContact O-N 3.16Å; E513-N517 VanDerWaalsContact O-N 3.09Å; E513-N517 PolarHBondContact O-ND2 2.99Å; E513-N517 VanDerWaalsContact O-ND2 3.13Å; H514-N517 PolarHBondContact O-N 3.42Å; L515-N517 VanDerWaalsContact C-N 3.27Å; L515-N517 PolarHBondContact O-N 3.09Å; N517-A519 VanDerWaalsContact C-N 3.28Å; N517-A519 PolarHBondContact O-N 3.01Å; N517-G520 PolarHBondContact O-N 2.67Å |
| 518 | V | 65.1 | Low | 70.2 | Confident | 70 Ų | 70 | 77 Ų | 77 | 42% | 0.424 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -62.2 | -37 | 178.1 | 169.8 | 0 | 0 | 0 | 0 | 111.5 | H514 L515 G520 | H514-V518 WeakPolarHBondContact O-CG2 3.34Å; H514-V518 PolarHBondContact O-N 2.85Å; L515-V518 PolarHBondContact O-N 3.35Å; V518-G520 PolarHBondContact O-N 3.1Å |
| 519 | A | 63.1 | Low | 69 | Low | 31 Ų | 31 | 80.9 Ų | 80.9 | 26% | 0.256 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -7.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | L515 N517 R521 I526 L531 | L515-A519 PolarHBondContact O-N 3.45Å; L515-A519 VanDerWaalsContact O-N 3.12Å; N517-A519 VanDerWaalsContact C-N 3.28Å; N517-A519 PolarHBondContact O-N 3.01Å; A519-R521 VanDerWaalsContact C-N 3.29Å; A519-R521 PolarHBondContact O-N 2.86Å; A519-I526 HydrophobicContact CB-CD1 3Å; A519-I526 HydrophobicContact CB-CG1 4.37Å; A519-I526 HydrophobicContact CB-CG2 4.33Å; A519-L531 HydrophobicContact CB-CD2 3.54Å |
| 520 | G | 68.5 | Low | 68.1 | Low | 59 Ų | 59 | 78.4 Ų | 78.4 | 61% | 0.608 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.1 | 21.2 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | N517 V518 | N517-G520 PolarHBondContact O-N 2.67Å; V518-G520 PolarHBondContact O-N 3.1Å |
| 521 | R | 71 | Confident | 67.2 | Low | 150 Ų | 150 | 78.5 Ų | 78.5 | 57% | 0.566 | 44% | 0.435 | S | S | * | . | trans | -130.8 | 76.9 | -179.4 | -57.8 | -168.8 | -168.1 | 174.1 | 3.4 | 110.9 | S516 A519 G523 E524 I526 | S516-R521 CarbonylContact O-C 3.39Å; S516-R521 VanDerWaalsContact O-C 3.25Å; S516-R521 PolarHBondContact O-N 3.4Å; A519-R521 VanDerWaalsContact C-N 3.29Å; A519-R521 PolarHBondContact O-N 2.86Å; R521-G523 PolarHBondContact O-N 2.83Å; R521-E524 HydrophobicContact CB-CB 4.12Å; R521-E524 WeakPolarHBondContact CD-OE2 2.82Å; R521-E524 IonicContact CZ-OE2 2.68Å; R521-E524 IonicContact NE-OE2 2.91Å; R521-E524 IonicContact NH1-OE2 3.19Å; R521-E524 PolarHBondContact NH1-OE2 2.85Å; R521-E524 PolarHBondContact O-N 3.39Å; R521-I526 HydrophobicContact CB-CD1 4.31Å | ||
| 522 | P | 60.1 | Low | 65.9 | Low | 102 Ų | 102 | 79.4 Ų | 79.4 | 66% | 0.662 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | 125.2 | -178 | -19.2 | 30.9 | 0 | 0 | 0 | 111 | ||
| 523 | G | 63.9 | Low | 65.1 | Low | 76 Ų | 76 | 78.6 Ų | 78.6 | 78% | 0.784 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.3 | -0.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | R521 | R521-G523 PolarHBondContact O-N 2.83Š|
| 524 | E | 63.9 | Low | 64 | Low | 104 Ų | 104 | 77.2 Ų | 77.2 | 49% | 0.486 | 44% | 0.437 | S | S | . | . | trans | -88.3 | 144.7 | 170.6 | -111.7 | 179.8 | -163.4 | 0 | 0 | 111.4 | R521 I526 | R521-E524 HydrophobicContact CB-CB 4.12Å; R521-E524 WeakPolarHBondContact CD-OE2 2.82Å; R521-E524 IonicContact CZ-OE2 2.68Å; R521-E524 IonicContact NE-OE2 2.91Å; R521-E524 IonicContact NH1-OE2 3.19Å; R521-E524 PolarHBondContact NH1-OE2 2.85Å; R521-E524 PolarHBondContact O-N 3.39Å; E524-I526 HydrophobicContact CB-CG1 4.39Å; E524-I526 WeakPolarHBondContact O-CG1 3.16Å | ||
| 525 | I | 61.2 | Low | 62.8 | Low | 164 Ų | 164 | 80 Ų | 80 | 84% | 0.841 | 45% | 0.454 | S | S | * | . | trans | -80.9 | 124.5 | 169.8 | -60.8 | 171.7 | 0 | 0 | 0 | 107.6 | ||||
| 526 | I | 64.1 | Low | 61.7 | Low | 32 Ų | 32 | 82.3 Ų | 82.3 | 16% | 0.164 | 47% | 0.465 | C | S | . | . | trans | -122.1 | 124.1 | -169.9 | -51 | -172.8 | 0 | 0 | 0 | 109.1 | A519 R521 E524 L528 S530 L531 | A519-I526 HydrophobicContact CB-CD1 3Å; A519-I526 HydrophobicContact CB-CG1 4.37Å; A519-I526 HydrophobicContact CB-CG2 4.33Å; R521-I526 HydrophobicContact CB-CD1 4.31Å; E524-I526 HydrophobicContact CB-CG1 4.39Å; E524-I526 WeakPolarHBondContact O-CG1 3.16Å; I526-L528 PolarHBondContact O-N 3.32Å; I526-S530 WeakPolarHBondContact CG2-OG 3.41Å; I526-L531 HydrophobicContact CG2-CD1 3.91Å; I526-L531 HydrophobicContact CG2-CD2 4.15Å; I526-L531 HydrophobicContact CG2-CG 3.89Å | ||
| 527 | E | 65.5 | Low | 60.5 | Low | 150 Ų | 150 | 83.6 Ų | 83.6 | 70% | 0.701 | 47% | 0.473 | S | S | * | . | trans | -67.4 | 124.3 | 172.4 | -74.7 | -178.8 | 164.5 | 0 | 0 | 109.4 | E529 S530 | E527-E529 PolarHBondContact O-N 3.5Å; E527-E529 VanDerWaalsContact O-N 3.12Å; E527-S530 WeakPolarHBondContact O-CB 3.31Å; E527-S530 PolarHBondContact O-N 2.93Å; E527-S530 PolarHBondContact O-OG 2.89Å | ||
| 528 | L | 66.8 | Low | 59.1 | Low | 23 Ų | 23 | 84.9 Ų | 84.9 | 12% | 0.12 | 48% | 0.478 | C | S | . | . | G | 310 helix | trans | -49.9 | -38.5 | -179 | -84.8 | 156.1 | 0 | 0 | 0 | 112.8 | M489 L510 L515 I526 S530 L531 P589 R590 | M489-L528 HydrophobicContact CG-CB 3.99Å; M489-L528 HydrophobicContact CG-CD1 4Å; M489-L528 HydrophobicContact CG-CD2 4.46Å; M489-L528 HydrophobicContact CG-CG 4.38Å; M489-L528 HydrophobicContact SD-CB 3.95Å; M489-L528 HydrophobicContact SD-CD1 4.49Å; M489-L528 HydrophobicContact SD-CD2 3.87Å; M489-L528 HydrophobicContact SD-CG 4.33Å; L510-L528 HydrophobicContact CD2-CD1 4.04Å; L515-L528 HydrophobicContact CD1-CD2 4.28Å; L515-L528 HydrophobicContact CD2-CD2 3.75Å; L515-L528 HydrophobicContact CD2-CG 4.09Å; L515-L528 HydrophobicContact CG-CD2 4.5Å; I526-L528 PolarHBondContact O-N 3.32Å; L528-S530 VanDerWaalsContact C-N 3.25Å; L528-S530 PolarHBondContact O-N 3.44Å; L528-L531 PolarHBondContact O-N 3.44Å; L528-P589 HydrophobicContact CD2-CB 4.43Å; L528-P589 HydrophobicContact CD2-CG 3.84Å; L528-R590 HydrophobicContact CD1-CG 4.33Å; L528-R590 HydrophobicContact CD2-CG 3.47Å; L528-R590 VanDerWaalsContact CD2-CG 3.47Å |
| 529 | E | 60.5 | Low | 57.5 | Low | 108 Ų | 108 | 88.9 Ų | 88.9 | 51% | 0.505 | 50% | 0.496 | S | S | . | . | G | 310 helix | trans | -63.4 | -30 | -179.7 | -63.3 | -178.8 | 155.7 | 0 | 0 | 112.5 | S490 E527 L531 V532 | S490-E529 VanDerWaalsContact CB-OE1 3.32Å; S490-E529 WeakPolarHBondContact CB-OE1 3.36Å; S490-E529 PolarHBondContact OG-OE1 3.47Å; E527-E529 PolarHBondContact O-N 3.5Å; E527-E529 VanDerWaalsContact O-N 3.12Å; E529-L531 VanDerWaalsContact C-N 3.26Å; E529-L531 PolarHBondContact O-N 3.44Å; E529-V532 PolarHBondContact O-N 3.01Å |
| 530 | S | 66.4 | Low | 55.9 | Low | 84 Ų | 84 | 90.9 Ų | 90.9 | 59% | 0.587 | 50% | 0.502 | S | S | * | . | G | 310 helix | trans | -71.4 | -20.5 | 179.4 | 73.2 | 0 | 0 | 0 | 0 | 113.8 | I526 E527 L528 V532 | I526-S530 WeakPolarHBondContact CG2-OG 3.41Å; E527-S530 WeakPolarHBondContact O-CB 3.31Å; E527-S530 PolarHBondContact O-N 2.93Å; E527-S530 PolarHBondContact O-OG 2.89Å; L528-S530 VanDerWaalsContact C-N 3.25Å; L528-S530 PolarHBondContact O-N 3.44Å; S530-V532 VanDerWaalsContact C-N 3.35Å |
| 531 | L | 64.4 | Low | 54.1 | Low | 43 Ų | 43 | 93.1 Ų | 93.1 | 23% | 0.225 | 51% | 0.507 | C | S | . | . | G | 310 helix | trans | -86.8 | -10.3 | -179.9 | -66.7 | 169.6 | 0 | 0 | 0 | 112.8 | L515 A519 I526 L528 E529 P589 | L515-L531 HydrophobicContact CD2-CD1 3.59Å; L515-L531 HydrophobicContact CG-CD1 4.34Å; A519-L531 HydrophobicContact CB-CD2 3.54Å; I526-L531 HydrophobicContact CG2-CD1 3.91Å; I526-L531 HydrophobicContact CG2-CD2 4.15Å; I526-L531 HydrophobicContact CG2-CG 3.89Å; L528-L531 PolarHBondContact O-N 3.44Å; E529-L531 VanDerWaalsContact C-N 3.26Å; E529-L531 PolarHBondContact O-N 3.44Å; L531-P589 HydrophobicContact CB-CB 4.42Å; L531-P589 HydrophobicContact CB-CG 4.19Å; L531-P589 HydrophobicContact CD1-CB 3.89Å; L531-P589 HydrophobicContact CD1-CG 4.3Å |
| 532 | V | 58 | Low | 52.4 | Low | 20 Ų | 20 | 90.3 Ų | 90.3 | 12% | 0.121 | 51% | 0.509 | C | S | . | . | S | Bend | trans | -109.1 | 120.9 | -175.3 | -174.5 | 0 | 0 | 0 | 0 | 109.7 | E529 S530 P534 T537 W582 P589 | E529-V532 PolarHBondContact O-N 3.01Å; S530-V532 VanDerWaalsContact C-N 3.35Å; V532-P534 WeakPolarHBondContact O-CD 3.46Å; V532-T537 HydrophobicContact CG1-CG2 3.26Å; V532-W582 HydrophobicContact CG1-CH2 4.05Å; V532-P589 HydrophobicContact CG2-CG 4.48Å |
| 533 | K | 56.7 | Low | 51.1 | Low | 122 Ų | 122 | 90.1 Ų | 90.1 | 53% | 0.53 | 51% | 0.506 | S | S | . | . | trans | -75.3 | 119.3 | 176.3 | -78.3 | -168.7 | -178.5 | -179.6 | 0 | 111 | D535 Q536 T537 | K533-D535 WeakPolarHBondContact CB-OD1 3.42Å; K533-D535 PolarHBondContact O-N 3Å; K533-Q536 HydrophobicContact CB-CB 4.39Å; K533-Q536 HydrophobicContact CB-CG 4.41Å; K533-Q536 PolarHBondContact O-N 3.22Å; K533-T537 PolarHBondContact O-N 2.01Å | ||
| 534 | P | 50.4 | Low | 49.7 | Very low | 107 Ų | 107 | 94.4 Ų | 94.4 | 70% | 0.695 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -22.4 | -173.9 | 23.8 | -32.3 | 0 | 0 | 0 | 114 | V532 Q536 T537 | V532-P534 WeakPolarHBondContact O-CD 3.46Å; P534-Q536 PolarHBondContact O-N 2.83Å; P534-T537 WeakPolarHBondContact CA-OG1 3.41Å; P534-T537 PolarHBondContact O-OG1 3.25Å |
| 535 | D | 46.3 | Very low | 48.2 | Very low | 128 Ų | 128 | 97.1 Ų | 97.1 | 68% | 0.684 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -10.5 | 174.4 | 55.3 | -56.9 | 0 | 0 | 0 | 113.4 | K533 | K533-D535 WeakPolarHBondContact CB-OD1 3.42Å; K533-D535 PolarHBondContact O-N 3Å |
| 536 | Q | 46.1 | Very low | 46.8 | Very low | 57 Ų | 57 | 95.7 Ų | 95.7 | 27% | 0.266 | 51% | 0.511 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.9 | -12.8 | -177.9 | -64.8 | -151.9 | -25 | 0 | 0 | 112.5 | K533 P534 W582 T584 Q586 | K533-Q536 HydrophobicContact CB-CB 4.39Å; K533-Q536 HydrophobicContact CB-CG 4.41Å; K533-Q536 PolarHBondContact O-N 3.22Å; P534-Q536 PolarHBondContact O-N 2.83Å; Q536-W582 VanDerWaalsContact C-CE3 3.46Å; Q536-W582 HydrophobicContact CB-CE3 3.48Å; Q536-W582 VanDerWaalsContact CB-CE3 3.48Å; Q536-W582 HydrophobicContact CB-CZ3 3.33Å; Q536-W582 WeakPolarHBondContact O-CZ3 3.44Å; Q536-T584 PolarHBondContact NE2-OG1 3.36Å; Q536-T584 PolarHBondContact OE1-OG1 3.41Å; Q536-Q586 VanDerWaalsContact OE1-CD 3.29Å; Q536-Q586 VanDerWaalsContact OE1-CG 3.22Å |
| 537 | T | 40 | Very low | 45.2 | Very low | 36 Ų | 36 | 99.7 Ų | 99.7 | 22% | 0.221 | 54% | 0.539 | C | S | . | . | S | Bend | trans | -66.7 | 138.4 | 178.9 | 36 | 0 | 0 | 0 | 0 | 114 | N491 V532 K533 P534 I539 W582 | N491-T537 HydrophobicContact CB-CG2 4.44Å; V532-T537 HydrophobicContact CG1-CG2 3.26Å; K533-T537 PolarHBondContact O-N 2.01Å; P534-T537 WeakPolarHBondContact CA-OG1 3.41Å; P534-T537 PolarHBondContact O-OG1 3.25Å; T537-I539 PolarHBondContact O-N 2.96Å; T537-I539 VanDerWaalsContact O-N 3.09Å; T537-W582 HydrophobicContact CG2-CH2 4.31Å |
| 538 | I | 38.3 | Very low | 43.7 | Very low | 117 Ų | 117 | 102.7 Ų | 102.7 | 60% | 0.6 | 55% | 0.545 | S | S | * | . | trans | -69.8 | 105.6 | 176.6 | -59.9 | 174.2 | 0 | 0 | 0 | 108.5 | N540 | I538-N540 PolarHBondContact O-N 3.46Š| ||
| 539 | I | 31.8 | Very low | 42.2 | Very low | 154 Ų | 154 | 111.6 Ų | 111.6 | 79% | 0.79 | 58% | 0.577 | S | S | * | * | trans | -60.6 | 127.3 | 173.7 | -62.2 | 167.9 | 0 | 0 | 0 | 108.3 | T537 | T537-I539 PolarHBondContact O-N 2.96Å; T537-I539 VanDerWaalsContact O-N 3.09Å | ||
| 540 | N | 30.2 | Very low | 41 | Very low | 73 Ų | 73 | 113.5 Ų | 113.5 | 39% | 0.39 | 59% | 0.586 | S | S | . | * | trans | -42.7 | 143.5 | 171.4 | -87.1 | -21.4 | 0 | 0 | 0 | 111.4 | I538 P542 | I538-N540 PolarHBondContact O-N 3.46Å; N540-P542 VanDerWaalsContact O-N 3.15Å | ||
| 541 | C | 30.5 | Very low | 39.6 | Very low | 105 Ų | 105 | 115 Ų | 115 | 71% | 0.709 | 58% | 0.584 | S | S | * | * | trans | -42.2 | 123.6 | 168.4 | -78 | 0 | 0 | 0 | 0 | 109.6 | T543 | C541-T543 PolarHBondContact O-N 2.78Š| ||
| 542 | P | 36.2 | Very low | 38.4 | Very low | 92 Ų | 92 | 116.9 Ų | 116.9 | 60% | 0.597 | 59% | 0.593 | S | S | * | * | trans | -60.3 | 111.3 | -173.7 | 18.1 | -28.4 | 0 | 0 | 0 | 110 | N540 N544 Q545 | N540-P542 VanDerWaalsContact O-N 3.15Å; P542-N544 PolarHBondContact O-N 2.04Å; P542-Q545 PolarHBondContact O-N 3.45Å | ||
| 543 | T | 32.3 | Very low | 37.5 | Very low | 98 Ų | 98 | 122 Ų | 122 | 60% | 0.601 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.1 | 119.2 | 166.6 | 38.1 | 0 | 0 | 0 | 0 | 107.8 | E455 C541 | E455-T543 WeakPolarHBondContact OE2-CG2 3.39Å; C541-T543 PolarHBondContact O-N 2.78Å |
| 544 | N | 34.9 | Very low | 36.7 | Very low | 166 Ų | 166 | 119.4 Ų | 119.4 | 89% | 0.888 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 98.6 | 12.4 | 177.4 | -58.2 | -45.8 | 0 | 0 | 0 | 120.4 | P542 | P542-N544 PolarHBondContact O-N 2.04Š|
| 545 | Q | 30.8 | Very low | 35.9 | Very low | 160 Ų | 160 | 116.2 Ų | 116.2 | 75% | 0.748 | 60% | 0.596 | S | S | * | * | trans | -107.6 | 109.9 | 165.6 | -72.3 | -169.8 | -15.6 | 0 | 0 | 111.9 | P542 | P542-Q545 PolarHBondContact O-N 3.45Š| ||
| 546 | K | 32.7 | Very low | 35.4 | Very low | 134 Ų | 134 | 115.9 Ų | 115.9 | 58% | 0.583 | 60% | 0.603 | S | S | * | * | trans | -49.3 | 145.2 | 163.6 | -84.4 | -178.1 | 173.4 | -176.1 | 0 | 109.4 | Y548 | K546-Y548 VanDerWaalsContact C-N 3.34Å; K546-Y548 PolarHBondContact O-N 3.44Å | ||
| 547 | P | 30.9 | Very low | 35.1 | Very low | 116 Ų | 116 | 119.6 Ų | 119.6 | 75% | 0.753 | 63% | 0.625 | S | S | * | * | trans | -63.5 | 90.8 | -170.6 | 26.2 | -34.4 | 0 | 0 | 0 | 110.8 | ||||
| 548 | Y | 33.4 | Very low | 35.1 | Very low | 213 Ų | 213 | 119.3 Ų | 119.3 | 84% | 0.835 | 63% | 0.628 | S | S | * | * | trans | -84.8 | 120.1 | 164.5 | -99.4 | -91 | 0 | 0 | 0 | 107.3 | K546 Q550 | K546-Y548 VanDerWaalsContact C-N 3.34Å; K546-Y548 PolarHBondContact O-N 3.44Å; Y548-Q550 PolarHBondContact O-N 3.07Å | ||
| 549 | R | 34.7 | Very low | 35.2 | Very low | 210 Ų | 210 | 119.2 Ų | 119.2 | 79% | 0.792 | 63% | 0.633 | S | S | * | * | trans | -55.3 | 81.2 | 171.6 | -73 | -177.9 | -165.7 | 165.1 | 3 | 110.6 | Y563 | R549-Y563 HydrophobicContact CB-CD1 3.72Å; R549-Y563 HydrophobicContact CB-CE1 3.68Å; R549-Y563 HydrophobicContact CG-CD1 4.12Å; R549-Y563 HydrophobicContact CG-CE1 4.23Å | ||
| 550 | Q | 35.4 | Very low | 35.5 | Very low | 148 Ų | 148 | 115.8 Ų | 115.8 | 69% | 0.692 | 62% | 0.62 | S | S | * | * | trans | -92.8 | 123.2 | 163.3 | -79.9 | -173.5 | -12.3 | 0 | 0 | 108.6 | Y548 I552 | Y548-Q550 PolarHBondContact O-N 3.07Å; Q550-I552 PolarHBondContact O-N 3.41Å | ||
| 551 | H | 37.2 | Very low | 35.8 | Very low | 115 Ų | 115 | 119.4 Ų | 119.4 | 53% | 0.532 | 63% | 0.634 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -61 | 117 | 168.1 | -86.4 | -90.7 | 0 | 0 | 0 | 108.3 | Y563 | H551-Y563 AromaticContact CD2-CE1 3.51Å; H551-Y563 AromaticContact CD2-CZ 3.77Å; H551-Y563 AromaticContact CE1-CZ 3.59Å; H551-Y563 PolarHBondContact CE1-OH 2.82Å; H551-Y563 AromaticContact CG-CE1 3.94Å; H551-Y563 AromaticContact NE2-CE1 3.56Å; H551-Y563 AromaticContact NE2-CZ 3.27Å; H551-Y563 VanDerWaalsContact NE2-CZ 3.27Å; H551-Y563 PolarHBondContact NE2-OH 3.38Å |
| 552 | I | 39.8 | Very low | 36 | Very low | 83 Ų | 83 | 115.3 Ų | 115.3 | 43% | 0.426 | 61% | 0.61 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -119.1 | 145.7 | 169 | -54.1 | 172.1 | 0 | 0 | 0 | 105.8 | Q550 V554 G562 L564 | Q550-I552 PolarHBondContact O-N 3.41Å; I552-V554 WeakPolarHBondContact O-CG2 3.02Å; I552-V554 PolarHBondContact O-N 3.34Å; I552-V554 VanDerWaalsContact O-N 3.09Å; I552-G562 PolarHBondContact N-O 3.4Å; I552-G562 VanDerWaalsContact N-O 3.09Å; I552-G562 PolarHBondContact O-N 3.15Å; I552-G562 VanDerWaalsContact O-N 3.09Å; I552-L564 HydrophobicContact CD1-CB 4.25Å; I552-L564 HydrophobicContact CD1-CD2 4.32Å |
| 553 | Q | 38.4 | Very low | 36.2 | Very low | 129 Ų | 129 | 116.4 Ų | 116.4 | 60% | 0.603 | 60% | 0.603 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -65.7 | 112.5 | 171.1 | -78 | -177.7 | -25.2 | 0 | 0 | 108.2 | G558 T560 | Q553-G558 PolarHBondContact NE2-O 3.14Å; Q553-G558 VanDerWaalsContact NE2-O 3.17Å; Q553-G558 PolarHBondContact OE1-O 3.16Å; Q553-T560 CarbonylContact C-O 3.58Å; Q553-T560 WeakPolarHBondContact CA-O 3.46Å |
| 554 | V | 40.1 | Very low | 36.3 | Very low | 67 Ų | 67 | 117.6 Ų | 117.6 | 41% | 0.406 | 61% | 0.605 | S | S | . | * | trans | -113.6 | 108 | 179.9 | -148 | 0 | 0 | 0 | 0 | 107 | I552 T560 G562 | I552-V554 WeakPolarHBondContact O-CG2 3.02Å; I552-V554 PolarHBondContact O-N 3.34Å; I552-V554 VanDerWaalsContact O-N 3.09Å; V554-T560 CarbonylContact C-O 3.46Å; V554-T560 PolarHBondContact N-O 3.17Å; V554-T560 CarbonylContact O-C 3.5Å; V554-T560 WeakPolarHBondContact O-CB 3.42Å; V554-T560 PolarHBondContact O-OG1 2.76Å; V554-T560 VanDerWaalsContact O-OG1 3.11Å; V554-G562 WeakPolarHBondContact CG2-O 3.48Å | ||
| 555 | G | 33.5 | Very low | 36.2 | Very low | 39 Ų | 39 | 116 Ų | 116 | 40% | 0.402 | 59% | 0.592 | S | S | . | * | S | Bend | trans | 158.9 | 143 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | N557 G558 | G555-N557 PolarHBondContact O-N 2.9Å; G555-G558 PolarHBondContact O-N 3.36Å |
| 556 | C | 35.5 | Very low | 36.3 | Very low | 122 Ų | 122 | 113.3 Ų | 113.3 | 82% | 0.824 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.6 | -20.9 | -175.7 | -57.7 | 0 | 0 | 0 | 0 | 114.2 | ||
| 557 | N | 40.8 | Very low | 36.2 | Very low | 135 Ų | 135 | 114.2 Ų | 114.2 | 72% | 0.722 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.7 | 6.3 | -176.6 | -56.4 | 3.5 | 0 | 0 | 0 | 112.9 | G555 T559 | G555-N557 PolarHBondContact O-N 2.9Å; N557-T559 HydrophobicContact CB-CG2 4.41Å; N557-T559 PolarHBondContact O-N 3.24Å |
| 558 | G | 40.1 | Very low | 36.6 | Very low | 29 Ų | 29 | 111.7 Ų | 111.7 | 30% | 0.299 | 59% | 0.585 | S | S | . | * | S | Bend | trans | 66.6 | 12.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q553 G555 | Q553-G558 PolarHBondContact NE2-O 3.14Å; Q553-G558 VanDerWaalsContact NE2-O 3.17Å; Q553-G558 PolarHBondContact OE1-O 3.16Å; G555-G558 PolarHBondContact O-N 3.36Å |
| 559 | T | 41 | Very low | 36.9 | Very low | 115 Ų | 115 | 110 Ų | 110 | 71% | 0.706 | 58% | 0.584 | S | S | * | * | trans | -102.8 | -0.8 | -173.2 | 51.8 | 0 | 0 | 0 | 0 | 114.4 | N557 | N557-T559 HydrophobicContact CB-CG2 4.41Å; N557-T559 PolarHBondContact O-N 3.24Å | ||
| 560 | T | 36.3 | Very low | 37.1 | Very low | 82 Ų | 82 | 109.4 Ų | 109.4 | 50% | 0.503 | 59% | 0.591 | S | S | . | * | trans | -116.7 | 129.1 | 178.1 | 2.8 | 0 | 0 | 0 | 0 | 109.8 | Q553 V554 | Q553-T560 CarbonylContact C-O 3.58Å; Q553-T560 WeakPolarHBondContact CA-O 3.46Å; V554-T560 CarbonylContact C-O 3.46Å; V554-T560 PolarHBondContact N-O 3.17Å; V554-T560 CarbonylContact O-C 3.5Å; V554-T560 WeakPolarHBondContact O-CB 3.42Å; V554-T560 PolarHBondContact O-OG1 2.76Å; V554-T560 VanDerWaalsContact O-OG1 3.11Å | ||
| 561 | E | 37.4 | Very low | 37.2 | Very low | 149 Ų | 149 | 105 Ų | 105 | 70% | 0.696 | 57% | 0.572 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -98.8 | 128.3 | 179.5 | -66.1 | -179.2 | 167.7 | 0 | 0 | 108.5 | ||
| 562 | G | 35.6 | Very low | 37.2 | Very low | 20 Ų | 20 | 103.4 Ų | 103.4 | 21% | 0.206 | 57% | 0.572 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -158.8 | 165.6 | -176 | 0 | 0 | 0 | 0 | 0 | 113.6 | I552 V554 | I552-G562 PolarHBondContact N-O 3.4Å; I552-G562 VanDerWaalsContact N-O 3.09Å; I552-G562 PolarHBondContact O-N 3.15Å; I552-G562 VanDerWaalsContact O-N 3.09Å; V554-G562 WeakPolarHBondContact CG2-O 3.48Å |
| 563 | Y | 40.2 | Very low | 37.2 | Very low | 114 Ų | 114 | 106.4 Ų | 106.4 | 45% | 0.447 | 59% | 0.588 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -95 | 134.4 | -178.1 | -61 | -76 | 0 | 0 | 0 | 111 | R549 H551 H565 | R549-Y563 HydrophobicContact CB-CD1 3.72Å; R549-Y563 HydrophobicContact CB-CE1 3.68Å; R549-Y563 HydrophobicContact CG-CD1 4.12Å; R549-Y563 HydrophobicContact CG-CE1 4.23Å; H551-Y563 AromaticContact CD2-CE1 3.51Å; H551-Y563 AromaticContact CD2-CZ 3.77Å; H551-Y563 AromaticContact CE1-CZ 3.59Å; H551-Y563 PolarHBondContact CE1-OH 2.82Å; H551-Y563 AromaticContact CG-CE1 3.94Å; H551-Y563 AromaticContact NE2-CE1 3.56Å; H551-Y563 AromaticContact NE2-CZ 3.27Å; H551-Y563 VanDerWaalsContact NE2-CZ 3.27Å; H551-Y563 PolarHBondContact NE2-OH 3.38Å; Y563-H565 VanDerWaalsContact C-N 3.27Å; Y563-H565 PolarHBondContact O-N 3.17Å |
| 564 | L | 33.1 | Very low | 37.2 | Very low | 123 Ų | 123 | 107.3 Ų | 107.3 | 64% | 0.644 | 59% | 0.593 | S | S | * | * | trans | -78.6 | 71.3 | 178.2 | -153.3 | 84.5 | 0 | 0 | 0 | 110.5 | I552 | I552-L564 HydrophobicContact CD1-CB 4.25Å; I552-L564 HydrophobicContact CD1-CD2 4.32Å | ||
| 565 | H | 32.4 | Very low | 37 | Very low | 133 Ų | 133 | 105.7 Ų | 105.7 | 62% | 0.616 | 58% | 0.584 | S | S | * | * | trans | -86.2 | 135.7 | 167.9 | -156.9 | -79.1 | 0 | 0 | 0 | 108.2 | Y563 L567 | Y563-H565 VanDerWaalsContact C-N 3.27Å; Y563-H565 PolarHBondContact O-N 3.17Å; H565-L567 VanDerWaalsContact C-N 3.28Å; H565-L567 WeakPolarHBondContact O-CB 3.3Å; H565-L567 WeakPolarHBondContact O-CG 3.32Å; H565-L567 PolarHBondContact O-N 3.46Å | ||
| 566 | C | 33 | Very low | 37 | Very low | 103 Ų | 103 | 109.4 Ų | 109.4 | 70% | 0.696 | 60% | 0.601 | S | S | * | * | trans | -52.8 | 77.8 | -175.2 | -52.1 | 0 | 0 | 0 | 0 | 113.6 | C568 | C566-C568 PolarHBondContact O-N 2.94Š| ||
| 567 | L | 31.1 | Very low | 36.8 | Very low | 153 Ų | 153 | 111.3 Ų | 111.3 | 80% | 0.801 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.7 | 19.5 | -162.6 | -101.4 | 156.5 | 0 | 0 | 0 | 115.9 | H565 | H565-L567 VanDerWaalsContact C-N 3.28Å; H565-L567 WeakPolarHBondContact O-CB 3.3Å; H565-L567 WeakPolarHBondContact O-CG 3.32Å; H565-L567 PolarHBondContact O-N 3.46Å |
| 568 | C | 38.8 | Very low | 36.3 | Very low | 64 Ų | 64 | 109.2 Ų | 109.2 | 43% | 0.432 | 59% | 0.587 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -119.3 | 23.9 | -179.2 | -50.7 | 0 | 0 | 0 | 0 | 113.5 | C566 C575 | C566-C568 PolarHBondContact O-N 2.94Å; C568-C575 VanDerWaalsContact CA-SG 3.58Å; C568-C575 HydrophobicContact CB-CB 4.32Å; C568-C575 WeakPolarHBondContact CB-SG 3.2Å; C568-C575 WeakPolarHBondContact SG-CB 3.14Å; C568-C575 CovalentContact SG-SG 2.04Å; C568-C575 PolarHBondContact SG-SG 2.94Å |
| 569 | E | 39.4 | Very low | 36 | Very low | 176 Ų | 176 | 113.1 Ų | 113.1 | 82% | 0.822 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -75.1 | -25.4 | -175.1 | -138.3 | 172 | -157 | 0 | 0 | 113.7 | ||
| 570 | E | 39.5 | Very low | 35.5 | Very low | 198 Ų | 198 | 110.6 Ų | 110.6 | 93% | 0.925 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -95.1 | -32.4 | -175.5 | -66.5 | -166.3 | 168 | 0 | 0 | 114.5 | ||
| 571 | D | 38.2 | Very low | 35.3 | Very low | 55 Ų | 55 | 109.4 Ų | 109.4 | 29% | 0.294 | 60% | 0.598 | S | S | . | * | trans | -157.5 | 105.3 | 174.6 | -169.8 | -7.1 | 0 | 0 | 0 | 111.4 | N573 Q574 | D571-N573 PolarHBondContact O-N 3.16Å; D571-N573 WeakPolarHBondContact OD1-CB 2.99Å; D571-N573 PolarHBondContact OD1-N 2.86Å; D571-Q574 HydrophobicContact CB-CB 4.18Å; D571-Q574 HydrophobicContact CB-CG 4.13Å; D571-Q574 PolarHBondContact O-N 3.22Å; D571-Q574 WeakPolarHBondContact OD2-CG 3.5Å; D571-Q574 PolarHBondContact OD2-NE2 3.33Å | ||
| 572 | P | 37.6 | Very low | 34.9 | Very low | 82 Ų | 82 | 104.7 Ų | 104.7 | 53% | 0.532 | 57% | 0.574 | S | S | . | * | G | 310 helix | trans | -56 | -23.6 | 177.5 | -24.6 | 33.1 | 0 | 0 | 0 | 114 | ||
| 573 | N | 39.7 | Very low | 35.1 | Very low | 146 Ų | 146 | 115.9 Ų | 115.9 | 78% | 0.781 | 61% | 0.61 | S | S | * | * | G | 310 helix | trans | -82.9 | -13.4 | 179.9 | -62.4 | -40 | 0 | 0 | 0 | 113.4 | D571 | D571-N573 PolarHBondContact O-N 3.16Å; D571-N573 WeakPolarHBondContact OD1-CB 2.99Å; D571-N573 PolarHBondContact OD1-N 2.86Å |
| 574 | Q | 37.9 | Very low | 34.9 | Very low | 148 Ų | 148 | 114 Ų | 114 | 69% | 0.692 | 61% | 0.611 | S | S | * | * | G | 310 helix | trans | -95.9 | 0.9 | 177.5 | -73 | -178.7 | 40.4 | 0 | 0 | 113.3 | D571 P576 | D571-Q574 HydrophobicContact CB-CB 4.18Å; D571-Q574 HydrophobicContact CB-CG 4.13Å; D571-Q574 PolarHBondContact O-N 3.22Å; D571-Q574 WeakPolarHBondContact OD2-CG 3.5Å; D571-Q574 PolarHBondContact OD2-NE2 3.33Å; Q574-P576 WeakPolarHBondContact O-CD 3.18Å |
| 575 | C | 36.3 | Very low | 35.3 | Very low | 34 Ų | 34 | 112.5 Ų | 112.5 | 23% | 0.23 | 61% | 0.608 | C | S | . | * | trans | -68.8 | 109.1 | 176.3 | -98.4 | 0 | 0 | 0 | 0 | 109.4 | C568 Y577 | C568-C575 VanDerWaalsContact CA-SG 3.58Å; C568-C575 HydrophobicContact CB-CB 4.32Å; C568-C575 WeakPolarHBondContact CB-SG 3.2Å; C568-C575 WeakPolarHBondContact SG-CB 3.14Å; C568-C575 CovalentContact SG-SG 2.04Å; C568-C575 PolarHBondContact SG-SG 2.94Å; C575-Y577 PolarHBondContact O-N 2.74Å | ||
| 576 | P | 32.5 | Very low | 35.9 | Very low | 116 Ų | 116 | 108.3 Ų | 108.3 | 75% | 0.753 | 59% | 0.589 | S | S | * | * | trans | -71.9 | 102 | 176.2 | 17.6 | -5.2 | 0 | 0 | 0 | 105 | Q574 C578 | Q574-P576 WeakPolarHBondContact O-CD 3.18Å; P576-C578 PolarHBondContact O-N 2.73Å | ||
| 577 | Y | 32.1 | Very low | 36.7 | Very low | 163 Ų | 163 | 109 Ų | 109 | 64% | 0.639 | 59% | 0.59 | S | S | * | * | trans | -46.8 | 120.9 | 160.1 | -77.2 | -93 | 0 | 0 | 0 | 106.4 | C575 P579 | C575-Y577 PolarHBondContact O-N 2.74Å; Y577-P579 VanDerWaalsContact C-CD 3.41Å; Y577-P579 WeakPolarHBondContact O-CD 3.02Å | ||
| 578 | C | 29.5 | Very low | 38.1 | Very low | 90 Ų | 90 | 104.9 Ų | 104.9 | 61% | 0.608 | 57% | 0.569 | S | S | * | * | trans | -79.6 | 100.3 | 149.8 | -75.6 | 0 | 0 | 0 | 0 | 104.2 | P576 S580 | P576-C578 PolarHBondContact O-N 2.73Å; C578-S580 PolarHBondContact O-N 2.94Å | ||
| 579 | P | 33.4 | Very low | 39.5 | Very low | 111 Ų | 111 | 102.1 Ų | 102.1 | 72% | 0.721 | 55% | 0.55 | S | S | * | * | S | Bend | trans | -70.9 | 50.4 | 169.5 | 33 | -37.6 | 0 | 0 | 0 | 109.9 | Y577 | Y577-P579 VanDerWaalsContact C-CD 3.41Å; Y577-P579 WeakPolarHBondContact O-CD 3.02Å |
| 580 | S | 30.8 | Very low | 41.4 | Very low | 62 Ų | 62 | 94.8 Ų | 94.8 | 43% | 0.434 | 52% | 0.515 | S | S | . | . | trans | -178.2 | 77.4 | 152.6 | 50.7 | 0 | 0 | 0 | 0 | 113.8 | C578 | C578-S580 PolarHBondContact O-N 2.94Š| ||
| 581 | G | 33.1 | Very low | 43.1 | Very low | 58 Ų | 58 | 86.9 Ų | 86.9 | 60% | 0.598 | 48% | 0.482 | S | S | * | . | trans | -84.1 | 6 | 157.4 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 582 | W | 29.3 | Very low | 45.3 | Very low | 49 Ų | 49 | 84.8 Ų | 84.8 | 19% | 0.186 | 47% | 0.47 | C | S | . | . | S | Bend | trans | -63.4 | 142.3 | 174 | -52.2 | 92.1 | 0 | 0 | 0 | 109.8 | V532 Q536 T537 T584 P585 Q586 | V532-W582 HydrophobicContact CG1-CH2 4.05Å; Q536-W582 VanDerWaalsContact C-CE3 3.46Å; Q536-W582 HydrophobicContact CB-CE3 3.48Å; Q536-W582 VanDerWaalsContact CB-CE3 3.48Å; Q536-W582 HydrophobicContact CB-CZ3 3.33Å; Q536-W582 WeakPolarHBondContact O-CZ3 3.44Å; T537-W582 HydrophobicContact CG2-CH2 4.31Å; W582-T584 WeakPolarHBondContact CB-O 3.32Å; W582-T584 PolarHBondContact O-N 3.49Å; W582-P585 VanDerWaalsContact CD1-CA 3.45Å; W582-Q586 HydrophobicContact CD2-CB 3.86Å; W582-Q586 HydrophobicContact CD2-CG 4.07Å; W582-Q586 VanDerWaalsContact CD2-N 3.32Å; W582-Q586 HydrophobicContact CE3-CB 3.8Å; W582-Q586 HydrophobicContact CE3-CG 3.59Å; W582-Q586 VanDerWaalsContact CG-N 3.29Å; W582-Q586 HydrophobicContact CH2-CB 3.58Å; W582-Q586 HydrophobicContact CH2-CG 3.99Å; W582-Q586 HydrophobicContact CZ2-CB 3.58Å; W582-Q586 HydrophobicContact CZ2-CG 4.38Å; W582-Q586 HydrophobicContact CZ3-CB 3.64Å; W582-Q586 HydrophobicContact CZ3-CG 3.52Å; W582-Q586 PolarHBondContact NE1-O 3.36Å |
| 583 | R | 39.9 | Very low | 47.5 | Very low | 256 Ų | 256 | 83.3 Ų | 83.3 | 97% | 0.966 | 46% | 0.457 | S | S | * | . | S | Bend | trans | -56 | -22.2 | 162.8 | -73.3 | -175.7 | -170.6 | -124.8 | 1.9 | 111.7 | ||
| 584 | T | 36.1 | Very low | 49.8 | Very low | 74 Ų | 74 | 77 Ų | 77 | 45% | 0.454 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -145.3 | 112.9 | 167.2 | 42.1 | 0 | 0 | 0 | 0 | 109.2 | Q536 W582 Q586 | Q536-T584 PolarHBondContact NE2-OG1 3.36Å; Q536-T584 PolarHBondContact OE1-OG1 3.41Å; W582-T584 WeakPolarHBondContact CB-O 3.32Å; W582-T584 PolarHBondContact O-N 3.49Å; T584-Q586 PolarHBondContact O-N 3.01Å; T584-Q586 VanDerWaalsContact O-N 3.07Å |
| 585 | P | 41.6 | Very low | 52 | Low | 91 Ų | 91 | 74.4 Ų | 74.4 | 59% | 0.591 | 42% | 0.419 | S | S | * | . | trans | -43.7 | 114.1 | -177.8 | -25.3 | 26.9 | 0 | 0 | 0 | 112.5 | W582 | W582-P585 VanDerWaalsContact CD1-CA 3.45Š| ||
| 586 | Q | 43.1 | Very low | 54.4 | Low | 45 Ų | 45 | 75 Ų | 75 | 21% | 0.21 | 42% | 0.422 | C | S | . | . | P | Polyproline II helix | trans | -92.3 | 128.7 | 158.5 | -57.6 | -143.5 | -19.6 | 0 | 0 | 108.6 | Q536 W582 T584 D588 | Q536-Q586 VanDerWaalsContact OE1-CD 3.29Å; Q536-Q586 VanDerWaalsContact OE1-CG 3.22Å; W582-Q586 HydrophobicContact CD2-CB 3.86Å; W582-Q586 HydrophobicContact CD2-CG 4.07Å; W582-Q586 VanDerWaalsContact CD2-N 3.32Å; W582-Q586 HydrophobicContact CE3-CB 3.8Å; W582-Q586 HydrophobicContact CE3-CG 3.59Å; W582-Q586 VanDerWaalsContact CG-N 3.29Å; W582-Q586 HydrophobicContact CH2-CB 3.58Å; W582-Q586 HydrophobicContact CH2-CG 3.99Å; W582-Q586 HydrophobicContact CZ2-CB 3.58Å; W582-Q586 HydrophobicContact CZ2-CG 4.38Å; W582-Q586 HydrophobicContact CZ3-CB 3.64Å; W582-Q586 HydrophobicContact CZ3-CG 3.52Å; W582-Q586 PolarHBondContact NE1-O 3.36Å; T584-Q586 PolarHBondContact O-N 3.01Å; T584-Q586 VanDerWaalsContact O-N 3.07Å; Q586-D588 PolarHBondContact O-N 2.86Å |
| 587 | T | 50.9 | Low | 56.9 | Low | 118 Ų | 118 | 71.2 Ų | 71.2 | 72% | 0.724 | 40% | 0.398 | S | S | * | . | P | Polyproline II helix | trans | -65.2 | 120.7 | 173.1 | 42.9 | 0 | 0 | 0 | 0 | 108.5 | P589 | T587-P589 WeakPolarHBondContact O-CD 3.26Å; T587-P589 VanDerWaalsContact O-N 3.15Å |
| 588 | D | 59.8 | Low | 59.4 | Low | 67 Ų | 67 | 69 Ų | 69 | 36% | 0.358 | 40% | 0.403 | S | S | . | . | P | Polyproline II helix | trans | -55.1 | 118.6 | 168.1 | -174.9 | -21.4 | 0 | 0 | 0 | 107.9 | Q586 R590 | Q586-D588 PolarHBondContact O-N 2.86Å; D588-R590 PolarHBondContact O-N 3.46Å; D588-R590 WeakPolarHBondContact OD1-CB 3.39Å; D588-R590 VanDerWaalsContact OD1-CG 3.3Å; D588-R590 WeakPolarHBondContact OD1-CG 3.46Å; D588-R590 IonicContact OD1-CZ 2.79Å; D588-R590 PolarHBondContact OD1-N 3.31Å; D588-R590 IonicContact OD1-NE 2.77Å; D588-R590 PolarHBondContact OD1-NE 3Å; D588-R590 IonicContact OD1-NH2 2.78Å; D588-R590 IonicContact OD2-CZ 3Å; D588-R590 IonicContact OD2-NE 3.91Å; D588-R590 PolarHBondContact OD2-NE 3.45Å; D588-R590 VanDerWaalsContact OD2-NE 3.15Å; D588-R590 IonicContact OD2-NH2 3.5Å; D588-R590 PolarHBondContact OD2-NH2 3.18Å |
| 589 | P | 69.3 | Low | 62.1 | Low | 6 Ų | 6 | 68.2 Ų | 68.2 | 4% | 0.039 | 39% | 0.391 | C | S | . | . | trans | -69.2 | -10.4 | -176.9 | 28.1 | -34.9 | 0 | 0 | 0 | 112.8 | L515 L528 L531 V532 T587 S591 | L515-P589 WeakPolarHBondContact CD1-O 3.48Å; L515-P589 HydrophobicContact CG-CB 4.46Å; L528-P589 HydrophobicContact CD2-CB 4.43Å; L528-P589 HydrophobicContact CD2-CG 3.84Å; L531-P589 HydrophobicContact CB-CB 4.42Å; L531-P589 HydrophobicContact CB-CG 4.19Å; L531-P589 HydrophobicContact CD1-CB 3.89Å; L531-P589 HydrophobicContact CD1-CG 4.3Å; V532-P589 HydrophobicContact CG2-CG 4.48Å; T587-P589 WeakPolarHBondContact O-CD 3.26Å; T587-P589 VanDerWaalsContact O-N 3.15Å; P589-S591 PolarHBondContact O-N 3.48Å | ||
| 590 | R | 77.9 | Confident | 64.8 | Low | 22 Ų | 22 | 64.1 Ų | 64.1 | 8% | 0.083 | 36% | 0.361 | C | S | . | . | trans | -78.1 | 103 | -178.8 | -61.3 | 176.5 | -67 | 177.1 | 4.6 | 111.2 | Y486 G487 M489 D492 L510 L528 D588 | Y486-R590 HydrophobicContact CE2-CB 4.13Å; G487-R590 VanDerWaalsContact O-CD 3.3Å; G487-R590 WeakPolarHBondContact O-CD 3.27Å; G487-R590 PolarHBondContact O-NH1 3.35Å; M489-R590 VanDerWaalsContact SD-CD 3.6Å; M489-R590 HydrophobicContact SD-CG 4Å; D492-R590 IonicContact OD2-CZ 3.47Å; D492-R590 IonicContact OD2-NH1 3.45Å; D492-R590 PolarHBondContact OD2-NH1 3.31Å; D492-R590 IonicContact OD2-NH2 3.52Å; L510-R590 HydrophobicContact CD1-CB 4Å; L510-R590 HydrophobicContact CD1-CG 4.02Å; L528-R590 HydrophobicContact CD1-CG 4.33Å; L528-R590 HydrophobicContact CD2-CG 3.47Å; L528-R590 VanDerWaalsContact CD2-CG 3.47Å; D588-R590 PolarHBondContact O-N 3.46Å; D588-R590 WeakPolarHBondContact OD1-CB 3.39Å; D588-R590 VanDerWaalsContact OD1-CG 3.3Å; D588-R590 WeakPolarHBondContact OD1-CG 3.46Å; D588-R590 IonicContact OD1-CZ 2.79Å; D588-R590 PolarHBondContact OD1-N 3.31Å; D588-R590 IonicContact OD1-NE 2.77Å; D588-R590 PolarHBondContact OD1-NE 3Å; D588-R590 IonicContact OD1-NH2 2.78Å; D588-R590 IonicContact OD2-CZ 3Å; D588-R590 IonicContact OD2-NE 3.91Å; D588-R590 PolarHBondContact OD2-NE 3.45Å; D588-R590 VanDerWaalsContact OD2-NE 3.15Å; D588-R590 IonicContact OD2-NH2 3.5Å; D588-R590 PolarHBondContact OD2-NH2 3.18Å | ||
| 591 | S | 76.1 | Confident | 67.4 | Low | 32 Ų | 32 | 64.8 Ų | 64.8 | 22% | 0.224 | 36% | 0.363 | C | S | . | . | trans | -103 | 137.9 | 167.4 | -178.6 | 0 | 0 | 0 | 0 | 110.1 | D511 P589 | D511-S591 WeakPolarHBondContact CB-O 3.18Å; D511-S591 PolarHBondContact N-O 2.74Å; P589-S591 PolarHBondContact O-N 3.48Å | ||
| 592 | E | 84.1 | Confident | 69.8 | Low | 11 Ų | 11 | 63.4 Ų | 63.4 | 5% | 0.051 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 142.9 | 171.2 | 48.3 | -174.7 | -159.5 | 0 | 0 | 110.9 | Y486 C499 L500 C501 C508 K509 S604 | Y486-E592 HydrophobicContact CE1-CB 3.8Å; Y486-E592 HydrophobicContact CE2-CB 4.03Å; Y486-E592 WeakPolarHBondContact OH-CB 3.22Å; Y486-E592 PolarHBondContact OH-N 2.78Å; C499-E592 WeakPolarHBondContact CA-OE2 3.42Å; L500-E592 WeakPolarHBondContact CB-OE1 3.08Å; L500-E592 PolarHBondContact N-OE2 2.98Å; C501-E592 PolarHBondContact N-OE1 3.41Å; C508-E592 HydrophobicContact CB-CB 4.09Å; K509-E592 WeakPolarHBondContact O-CA 3.48Å; E592-S604 PolarHBondContact OE1-OG 3.41Å |
| 593 | I | 84.9 | Confident | 72.5 | Confident | 51 Ų | 51 | 65.9 Ų | 65.9 | 26% | 0.262 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 118.6 | 159 | -79.2 | 167.9 | 0 | 0 | 0 | 107.8 | C508 K509 D511 K603 | C508-I593 VanDerWaalsContact CA-O 3.27Å; C508-I593 WeakPolarHBondContact CA-O 3.32Å; K509-I593 HydrophobicContact CG-CB 4.28Å; K509-I593 HydrophobicContact CG-CG2 4.49Å; K509-I593 PolarHBondContact N-O 2.96Å; K509-I593 VanDerWaalsContact N-O 3.1Å; K509-I593 PolarHBondContact O-N 3.25Å; D511-I593 HydrophobicContact CB-CD1 3.75Å; D511-I593 HydrophobicContact CB-CG1 3.88Å; D511-I593 WeakPolarHBondContact OD2-CD1 3.33Å; I593-K603 HydrophobicContact CG1-CD 4.34Å |
| 594 | C | 87.5 | Confident | 74.6 | Confident | 14 Ų | 14 | 55 Ų | 55 | 10% | 0.095 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 158.9 | -179.1 | -62.1 | 0 | 0 | 0 | 0 | 112.5 | C501 K603 | C501-C594 WeakPolarHBondContact CA-SG 3.39Å; C501-C594 HydrophobicContact CB-CB 3.63Å; C501-C594 WeakPolarHBondContact CB-SG 3.4Å; C501-C594 WeakPolarHBondContact SG-CB 3.3Å; C501-C594 CovalentContact SG-SG 2.02Å; C501-C594 PolarHBondContact SG-SG 3.47Å; C594-K603 VanDerWaalsContact CB-O 3.25Å; C594-K603 WeakPolarHBondContact CB-O 3.39Å; C594-K603 PolarHBondContact N-O 3.04Å |
| 595 | T | 84.3 | Confident | 77 | Confident | 92 Ų | 92 | 51.5 Ų | 51.5 | 56% | 0.564 | 30% | 0.303 | S | S | * | . | trans | -100.2 | 112.2 | 171.7 | -35.5 | 0 | 0 | 0 | 0 | 109.1 | S505 E507 | S505-T595 WeakPolarHBondContact CB-O 3.29Å; S505-T595 PolarHBondContact OG-O 3.1Å; E507-T595 PolarHBondContact O-N 3.47Å | ||
| 596 | C | 86 | Confident | 79.1 | Confident | 46 Ų | 46 | 49.2 Ų | 49.2 | 31% | 0.311 | 28% | 0.284 | S | S | . | . | trans | -98.5 | 144.3 | -167 | -57.5 | 0 | 0 | 0 | 0 | 115.1 | G602 C605 | C596-G602 PolarHBondContact SG-O 2.89Å; C596-G602 VanDerWaalsContact SG-O 3.38Å; C596-C605 WeakPolarHBondContact CA-SG 3.45Å; C596-C605 HydrophobicContact CB-CB 3.78Å; C596-C605 WeakPolarHBondContact CB-SG 3.42Å; C596-C605 WeakPolarHBondContact SG-CA 3.41Å; C596-C605 WeakPolarHBondContact SG-CB 3.41Å; C596-C605 PolarHBondContact SG-N 2.95Å; C596-C605 VanDerWaalsContact SG-N 3.36Å; C596-C605 CovalentContact SG-SG 2.04Å; C596-C605 PolarHBondContact SG-SG 2.98Å | ||
| 597 | P | 86.1 | Confident | 81.2 | Confident | 38 Ų | 38 | 52.2 Ų | 52.2 | 25% | 0.247 | 30% | 0.297 | C | S | . | . | trans | -67.1 | 158.4 | 169.2 | -14 | 27.6 | 0 | 0 | 0 | 112.5 | H504 Q599 Y600 | H504-P597 HydrophobicContact CB-CG 4.37Å; H504-P597 WeakPolarHBondContact O-CG 3.44Å; P597-Q599 VanDerWaalsContact C-N 3.27Å; P597-Q599 PolarHBondContact O-N 3.13Å; P597-Q599 VanDerWaalsContact O-N 3.08Å; P597-Y600 HydrophobicContact CB-CD2 4.04Å; P597-Y600 HydrophobicContact CG-CD2 4.07Å; P597-Y600 PolarHBondContact O-N 3.27Å; P597-Y600 VanDerWaalsContact O-O 3.11Å | ||
| 598 | P | 83.5 | Confident | 82.9 | Confident | 115 Ų | 115 | 46.9 Ų | 46.9 | 75% | 0.747 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -25.7 | -170.8 | -24.7 | 33.3 | 0 | 0 | 0 | 116.8 | Y600 | P598-Y600 VanDerWaalsContact C-N 3.26Š|
| 599 | Q | 87 | Confident | 84.1 | Confident | 75 Ų | 75 | 44.5 Ų | 44.5 | 35% | 0.35 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -3.7 | 177.5 | 31.6 | -94.6 | 0.3 | 0 | 0 | 113.6 | P597 A609 C625 | P597-Q599 VanDerWaalsContact C-N 3.27Å; P597-Q599 PolarHBondContact O-N 3.13Å; P597-Q599 VanDerWaalsContact O-N 3.08Å; Q599-A609 PolarHBondContact O-N 3.44Å; Q599-C625 HydrophobicContact CB-CB 4.3Å |
| 600 | Y | 89 | Confident | 84.7 | Confident | 25 Ų | 25 | 50.1 Ų | 50.1 | 10% | 0.098 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 152.9 | -178.7 | -57.7 | -88 | 0 | 0 | 0 | 111.3 | H504 P597 P598 F607 R624 C625 | H504-Y600 HydrophobicContact CB-CD2 4.31Å; H504-Y600 HydrophobicContact CB-CE2 4.37Å; H504-Y600 HydrophobicContact CB-CG 4.47Å; H504-Y600 AromaticContact CD2-CD1 3.48Å; H504-Y600 VanDerWaalsContact CD2-CD1 3.48Å; H504-Y600 WeakPolarHBondContact CD2-CD1 3.5Å; H504-Y600 AromaticContact CD2-CE1 3.38Å; H504-Y600 WeakPolarHBondContact CD2-CE1 3.27Å; H504-Y600 AromaticContact CD2-CZ 3.89Å; H504-Y600 AromaticContact CE1-CE1 3.36Å; H504-Y600 WeakPolarHBondContact CE1-CE1 3.48Å; H504-Y600 AromaticContact CE1-CZ 3.43Å; H504-Y600 VanDerWaalsContact CE1-CZ 3.43Å; H504-Y600 PolarHBondContact CE1-OH 3.4Å; H504-Y600 VanDerWaalsContact CE1-OH 3.25Å; H504-Y600 AromaticContact CG-CD1 3.93Å; H504-Y600 AromaticContact CG-CE1 3.67Å; H504-Y600 AromaticContact CG-CE2 3.96Å; H504-Y600 AromaticContact CG-CZ 3.68Å; H504-Y600 AromaticContact ND1-CE1 3.65Å; H504-Y600 AromaticContact ND1-CE2 3.88Å; H504-Y600 AromaticContact ND1-CZ 3.35Å; H504-Y600 VanDerWaalsContact ND1-CZ 3.35Å; H504-Y600 PolarHBondContact ND1-OH 3.18Å; H504-Y600 AromaticContact NE2-CD1 3.72Å; H504-Y600 AromaticContact NE2-CE1 3.18Å; H504-Y600 WeakPolarHBondContact NE2-CE1 3.47Å; H504-Y600 AromaticContact NE2-CZ 3.75Å; P597-Y600 HydrophobicContact CB-CD2 4.04Å; P597-Y600 HydrophobicContact CG-CD2 4.07Å; P597-Y600 PolarHBondContact O-N 3.27Å; P597-Y600 VanDerWaalsContact O-O 3.11Å; P598-Y600 VanDerWaalsContact C-N 3.26Å; Y600-F607 CarbonylContact C-O 3.59Å; Y600-F607 VanDerWaalsContact CA-O 3.29Å; Y600-F607 WeakPolarHBondContact CA-O 3.3Å; Y600-R624 WeakPolarHBondContact OH-CA 3.44Å; Y600-C625 HydrophobicContact CD1-CB 4.36Å; Y600-C625 VanDerWaalsContact CD1-SG 3.55Å; Y600-C625 HydrophobicContact CE1-CB 3.93Å; Y600-C625 WeakPolarHBondContact CE1-SG 3.39Å; Y600-C625 PolarHBondContact OH-N 3.02Å |
| 601 | T | 85.3 | Confident | 84.9 | Confident | 75 Ų | 75 | 50.2 Ų | 50.2 | 46% | 0.46 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 167.4 | 175.7 | -169.1 | 0 | 0 | 0 | 0 | 110.3 | C605 E606 F607 | T601-C605 CarbonylContact O-C 3.55Å; T601-C605 WeakPolarHBondContact O-CA 3.4Å; T601-E606 PolarHBondContact O-N 3.27Å; T601-F607 HydrophobicContact CG2-CB 3.72Å; T601-F607 PolarHBondContact N-O 2.8Å; T601-F607 PolarHBondContact O-N 2.94Å |
| 602 | G | 85 | Confident | 85.3 | Confident | 30 Ų | 30 | 50.6 Ų | 50.6 | 31% | 0.309 | 29% | 0.29 | S | S | . | . | S | Bend | trans | 102.9 | 167.3 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | C596 S604 C605 E606 | C596-G602 PolarHBondContact SG-O 2.89Å; C596-G602 VanDerWaalsContact SG-O 3.38Å; G602-S604 PolarHBondContact O-N 3.08Å; G602-C605 PolarHBondContact O-N 3Å; G602-E606 VanDerWaalsContact C-OE2 3.26Å; G602-E606 WeakPolarHBondContact CA-OE2 3.35Å |
| 603 | K | 84.3 | Confident | 85.4 | Confident | 100 Ų | 100 | 50.6 Ų | 50.6 | 44% | 0.435 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -25.9 | -177.3 | -71.8 | -172.7 | 176.8 | -171 | 0 | 112.2 | D511 I593 C594 E606 | D511-K603 IonicContact OD2-NZ 3.3Å; D511-K603 PolarHBondContact OD2-NZ 2.92Å; I593-K603 HydrophobicContact CG1-CD 4.34Å; C594-K603 VanDerWaalsContact CB-O 3.25Å; C594-K603 WeakPolarHBondContact CB-O 3.39Å; C594-K603 PolarHBondContact N-O 3.04Å; K603-E606 PolarHBondContact N-OE2 3.2Å |
| 604 | S | 84.4 | Confident | 85.4 | Confident | 29 Ų | 29 | 48.2 Ų | 48.2 | 20% | 0.203 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.3 | 19.3 | 178 | -67.9 | 0 | 0 | 0 | 0 | 111.8 | C501 S502 E592 G602 E606 | C501-S604 CarbonylContact C-O 3.57Å; C501-S604 WeakPolarHBondContact CA-O 3.35Å; S502-S604 WeakPolarHBondContact CB-O 3.15Å; S502-S604 PolarHBondContact N-O 2.81Å; S502-S604 PolarHBondContact OG-O 2.67Å; E592-S604 PolarHBondContact OE1-OG 3.41Å; G602-S604 PolarHBondContact O-N 3.08Å; S604-E606 VanDerWaalsContact CA-OE2 3.25Å; S604-E606 WeakPolarHBondContact CA-OE2 3.29Å; S604-E606 WeakPolarHBondContact CB-OE2 3.01Å; S604-E606 PolarHBondContact N-OE2 3.33Å; S604-E606 PolarHBondContact O-N 3.39Å; S604-E606 VanDerWaalsContact O-N 3.16Å |
| 605 | C | 88 | Confident | 85 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 29% | 0.293 | C | S | . | . | S | Bend | trans | 56 | 29.1 | -176.5 | -43 | 0 | 0 | 0 | 0 | 112.9 | H504 C596 T601 G602 | H504-C605 HydrophobicContact CB-CB 4.09Å; H504-C605 PolarHBondContact CD2-O 2.94Å; C596-C605 WeakPolarHBondContact CA-SG 3.45Å; C596-C605 HydrophobicContact CB-CB 3.78Å; C596-C605 WeakPolarHBondContact CB-SG 3.42Å; C596-C605 WeakPolarHBondContact SG-CA 3.41Å; C596-C605 WeakPolarHBondContact SG-CB 3.41Å; C596-C605 PolarHBondContact SG-N 2.95Å; C596-C605 VanDerWaalsContact SG-N 3.36Å; C596-C605 CovalentContact SG-SG 2.04Å; C596-C605 PolarHBondContact SG-SG 2.98Å; T601-C605 CarbonylContact O-C 3.55Å; T601-C605 WeakPolarHBondContact O-CA 3.4Å; G602-C605 PolarHBondContact O-N 3Å |
| 606 | E | 85.3 | Confident | 84.5 | Confident | 42 Ų | 42 | 50.6 Ų | 50.6 | 20% | 0.196 | 29% | 0.289 | C | S | . | . | trans | -81.8 | -14.9 | -165.7 | 69.8 | -83.4 | -161.3 | 0 | 0 | 113.2 | S502 T601 G602 K603 S604 R614 | S502-E606 WeakPolarHBondContact OG-CA 3.39Å; T601-E606 PolarHBondContact O-N 3.27Å; G602-E606 VanDerWaalsContact C-OE2 3.26Å; G602-E606 WeakPolarHBondContact CA-OE2 3.35Å; K603-E606 PolarHBondContact N-OE2 3.2Å; S604-E606 VanDerWaalsContact CA-OE2 3.25Å; S604-E606 WeakPolarHBondContact CA-OE2 3.29Å; S604-E606 WeakPolarHBondContact CB-OE2 3.01Å; S604-E606 PolarHBondContact N-OE2 3.33Å; S604-E606 PolarHBondContact O-N 3.39Å; S604-E606 VanDerWaalsContact O-N 3.16Å; E606-R614 PolarHBondContact O-NH2 2.96Å | ||
| 607 | F | 85.7 | Confident | 83.9 | Confident | 108 Ų | 108 | 50.6 Ų | 50.6 | 47% | 0.474 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 147 | -178.2 | -57.2 | -62 | 0 | 0 | 0 | 111.2 | Y600 T601 | Y600-F607 CarbonylContact C-O 3.59Å; Y600-F607 VanDerWaalsContact CA-O 3.29Å; Y600-F607 WeakPolarHBondContact CA-O 3.3Å; T601-F607 HydrophobicContact CG2-CB 3.72Å; T601-F607 PolarHBondContact N-O 2.8Å; T601-F607 PolarHBondContact O-N 2.94Å |
| 608 | C | 87 | Confident | 83.2 | Confident | 7 Ų | 7 | 51.7 Ų | 51.7 | 5% | 0.047 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 141.2 | 167.8 | -60.8 | 0 | 0 | 0 | 0 | 110.7 | H612 C625 P639 | C608-H612 HydrophobicContact CB-CB 4.2Å; C608-H612 WeakPolarHBondContact CB-O 3.06Å; C608-C625 WeakPolarHBondContact CA-SG 3.47Å; C608-C625 HydrophobicContact CB-CB 3.73Å; C608-C625 WeakPolarHBondContact CB-SG 3.33Å; C608-C625 WeakPolarHBondContact SG-CB 3.32Å; C608-C625 CovalentContact SG-SG 2.03Å; C608-C625 PolarHBondContact SG-SG 3.26Å; C608-P639 HydrophobicContact CB-CB 4.11Å |
| 609 | A | 85.6 | Confident | 82.8 | Confident | 17 Ų | 17 | 47 Ų | 47 | 14% | 0.14 | 28% | 0.279 | C | S | . | . | P | Polyproline II helix | trans | -66.7 | 155.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q599 G611 H612 | Q599-A609 PolarHBondContact O-N 3.44Å; A609-G611 PolarHBondContact O-N 3Å; A609-H612 WeakPolarHBondContact O-CB 3.47Å; A609-H612 PolarHBondContact O-N 3.47Å |
| 610 | D | 82.8 | Confident | 82.5 | Confident | 123 Ų | 123 | 49.2 Ų | 49.2 | 66% | 0.658 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.6 | 135 | 178.9 | -166.7 | 26.3 | 0 | 0 | 0 | 111.1 | H612 R636 | D610-H612 PolarHBondContact O-ND1 3.05Å; D610-R636 IonicContact OD1-NH1 3.01Å; D610-R636 PolarHBondContact OD1-NH1 2.84Å; D610-R636 IonicContact OD2-CZ 3.99Å; D610-R636 IonicContact OD2-NH1 3.97Å; D610-R636 PolarHBondContact OD2-NH1 3.28Å |
| 611 | G | 80.4 | Confident | 81.9 | Confident | 24 Ų | 24 | 52.1 Ų | 52.1 | 25% | 0.247 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 83.2 | 0.7 | -173.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | A609 C628 | A609-G611 PolarHBondContact O-N 3Å; G611-C628 PolarHBondContact O-N 3.29Å; G611-C628 VanDerWaalsContact O-N 3.16Å |
| 612 | H | 86.3 | Confident | 81.6 | Confident | 41 Ų | 41 | 51 Ų | 51 | 19% | 0.19 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 147.6 | 177.5 | -58.2 | 70.2 | 0 | 0 | 0 | 111.4 | C608 A609 D610 C625 I626 | C608-H612 HydrophobicContact CB-CB 4.2Å; C608-H612 WeakPolarHBondContact CB-O 3.06Å; A609-H612 WeakPolarHBondContact O-CB 3.47Å; A609-H612 PolarHBondContact O-N 3.47Å; D610-H612 PolarHBondContact O-ND1 3.05Å; H612-C625 HydrophobicContact CB-CB 4.16Å; H612-I626 CarbonylContact C-O 3.44Å; H612-I626 WeakPolarHBondContact CA-O 3.23Å; H612-I626 WeakPolarHBondContact CB-O 3.08Å |
| 613 | R | 86 | Confident | 81.6 | Confident | 11 Ų | 11 | 51.7 Ų | 51.7 | 4% | 0.042 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 161.1 | 174.5 | 61.3 | 165.4 | -173.4 | 94.4 | -5.3 | 112.4 | D615 C625 I626 C637 P639 G642 F654 | R613-D615 IonicContact NH1-OD1 2.73Å; R613-C625 CarbonylContact O-C 3.48Å; R613-C625 VanDerWaalsContact O-CA 3.29Å; R613-C625 WeakPolarHBondContact O-CA 3.4Å; R613-I626 HydrophobicContact CG-CG1 4.24Å; R613-I626 PolarHBondContact N-O 3Å; R613-I626 PolarHBondContact O-N 2.86Å; R613-C637 VanDerWaalsContact CB-SG 3.56Å; R613-P639 CarbonylContact C-O 3.47Å; R613-P639 VanDerWaalsContact CA-O 3.3Å; R613-P639 WeakPolarHBondContact CA-O 3.44Å; R613-G642 VanDerWaalsContact CD-CA 3.49Å; R613-F654 VanDerWaalsContact CZ-CE1 3.4Å |
| 614 | R | 83.8 | Confident | 81.7 | Confident | 1 Ų | 1 | 55 Ų | 55 | 0% | 0.004 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 147.2 | 170.7 | -66.4 | -168.1 | -169.1 | -71.9 | -16.1 | 113.7 | E606 P616 G619 L620 I621 R624 P639 E640 | E606-R614 PolarHBondContact O-NH2 2.96Å; R614-P616 CarbonylContact C-O 2.97Å; R614-P616 CarbonylContact O-C 3.16Å; R614-G619 WeakPolarHBondContact CD-O 3.1Å; R614-L620 PolarHBondContact NH1-O 2.99Å; R614-I621 VanDerWaalsContact NH1-C 3.28Å; R614-I621 PolarHBondContact NH1-O 2.89Å; R614-R624 CarbonylContact C-O 3.57Å; R614-R624 WeakPolarHBondContact CA-O 3.45Å; R614-P639 PolarHBondContact N-O 2.83Å; R614-E640 WeakPolarHBondContact CD-OE2 3.47Å; R614-E640 IonicContact CZ-OE1 3.81Å; R614-E640 IonicContact CZ-OE2 2.77Å; R614-E640 IonicContact NE-OE1 2.69Å; R614-E640 PolarHBondContact NE-OE1 3Å; R614-E640 IonicContact NE-OE2 3.44Å; R614-E640 PolarHBondContact NE-OE2 3.44Å; R614-E640 IonicContact NH2-OE1 2.83Å; R614-E640 PolarHBondContact NH2-OE1 2.95Å; R614-E640 IonicContact NH2-OE2 3.53Å; R614-E640 PolarHBondContact NH2-OE2 2.94Å |
| 615 | D | 80.1 | Confident | 81.8 | Confident | 81 Ų | 81 | 53.8 Ų | 53.8 | 43% | 0.433 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 111.1 | 171.2 | -165.6 | 40.8 | 0 | 0 | 0 | 110.6 | R613 R624 I626 | R613-D615 IonicContact NH1-OD1 2.73Å; D615-R624 PolarHBondContact N-O 3.23Å; D615-I626 HydrophobicContact CB-CD1 3.7Å; D615-I626 HydrophobicContact CB-CG1 3.93Å; D615-I626 HydrophobicContact CB-CG2 4.07Å |
| 616 | P | 73.7 | Confident | 81.7 | Confident | 75 Ų | 75 | 55.9 Ų | 55.9 | 49% | 0.487 | 31% | 0.311 | S | S | . | . | S | Bend | cis | -70.8 | 158.3 | -0.2 | 30.2 | -33.9 | 0 | 0 | 0 | 113.1 | R614 G619 | R614-P616 CarbonylContact C-O 2.97Å; R614-P616 CarbonylContact O-C 3.16Å; P616-G619 WeakPolarHBondContact O-CA 3.01Å; P616-G619 PolarHBondContact O-N 3.24Å |
| 617 | P | 72.4 | Confident | 81.6 | Confident | 45 Ų | 45 | 59.4 Ų | 59.4 | 29% | 0.292 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | 138 | 173.4 | -5.3 | 12.8 | 0 | 0 | 0 | 112.2 | G619 S641 L653 F654 | P617-G619 PolarHBondContact O-N 3.48Å; P617-S641 WeakPolarHBondContact CB-O 3.4Å; P617-L653 HydrophobicContact CB-CD2 3.58Å; P617-L653 HydrophobicContact CG-CD2 3.18Å; P617-F654 HydrophobicContact CG-CZ 4.39Å |
| 618 | G | 70.8 | Confident | 81.5 | Confident | 62 Ų | 62 | 55.4 Ų | 55.4 | 64% | 0.639 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.8 | 13.4 | -168.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | E640 | G618-E640 WeakPolarHBondContact CA-O 3.5Å; G618-E640 PolarHBondContact N-O 3.12Å |
| 619 | G | 77 | Confident | 81.2 | Confident | 15 Ų | 15 | 58.5 Ų | 58.5 | 16% | 0.155 | 34% | 0.335 | C | S | . | . | trans | -61.4 | 167.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | R614 P616 P617 D623 | R614-G619 WeakPolarHBondContact CD-O 3.1Å; P616-G619 WeakPolarHBondContact O-CA 3.01Å; P616-G619 PolarHBondContact O-N 3.24Å; P617-G619 PolarHBondContact O-N 3.48Å; G619-D623 VanDerWaalsContact C-OD2 3.28Å; G619-D623 WeakPolarHBondContact CA-OD2 3.4Å | ||
| 620 | L | 79.1 | Confident | 81.1 | Confident | 123 Ų | 123 | 58 Ų | 58 | 64% | 0.644 | 33% | 0.33 | S | S | * | . | trans | -65 | 161 | 176.5 | -62 | 173.2 | 0 | 0 | 0 | 110.5 | R614 T622 D623 | R614-L620 PolarHBondContact NH1-O 2.99Å; L620-T622 WeakPolarHBondContact CB-OG1 3.03Å; L620-T622 PolarHBondContact O-N 2.89Å; L620-D623 PolarHBondContact N-OD2 3.41Å; L620-D623 WeakPolarHBondContact O-CB 3.48Å; L620-D623 PolarHBondContact O-N 2.78Å | ||
| 621 | I | 76.4 | Confident | 81 | Confident | 85 Ų | 85 | 55.9 Ų | 55.9 | 44% | 0.436 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | -23.3 | 174.4 | 58.6 | 169.8 | 0 | 0 | 0 | 112.8 | H504 R614 | H504-I621 PolarHBondContact NE2-O 3.09Å; R614-I621 VanDerWaalsContact NH1-C 3.28Å; R614-I621 PolarHBondContact NH1-O 2.89Å |
| 622 | T | 79.8 | Confident | 80.7 | Confident | 51 Ų | 51 | 62.6 Ų | 62.6 | 31% | 0.313 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -10.6 | 178.1 | 57.3 | 0 | 0 | 0 | 0 | 114.9 | S502 L503 H504 L620 | S502-T622 WeakPolarHBondContact O-CA 3.43Å; L503-T622 HydrophobicContact CB-CG2 4.3Å; L503-T622 HydrophobicContact CD1-CG2 3.65Å; L503-T622 HydrophobicContact CG-CG2 3.83Å; H504-T622 PolarHBondContact CE1-O 3.35Å; H504-T622 VanDerWaalsContact CE1-O 3.29Å; L620-T622 WeakPolarHBondContact CB-OG1 3.03Å; L620-T622 PolarHBondContact O-N 2.89Å |
| 623 | D | 85.8 | Confident | 80.4 | Confident | 46 Ų | 46 | 61.7 Ų | 61.7 | 25% | 0.246 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -76 | 163.4 | -179.6 | -72.3 | -35.3 | 0 | 0 | 0 | 112.2 | H504 G619 L620 | H504-D623 PolarHBondContact CE1-O 2.02Å; G619-D623 VanDerWaalsContact C-OD2 3.28Å; G619-D623 WeakPolarHBondContact CA-OD2 3.4Å; L620-D623 PolarHBondContact N-OD2 3.41Å; L620-D623 WeakPolarHBondContact O-CB 3.48Å; L620-D623 PolarHBondContact O-N 2.78Å |
| 624 | R | 84.9 | Confident | 80.2 | Confident | 169 Ų | 169 | 61.9 Ų | 61.9 | 64% | 0.638 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 135.4 | -172.1 | -172.8 | 177.2 | 176.2 | 179.8 | -0.2 | 111.8 | Y600 R614 D615 I626 | Y600-R624 WeakPolarHBondContact OH-CA 3.44Å; R614-R624 CarbonylContact C-O 3.57Å; R614-R624 WeakPolarHBondContact CA-O 3.45Å; D615-R624 PolarHBondContact N-O 3.23Å; R624-I626 HydrophobicContact CG-CG2 4.18Å |
| 625 | C | 87.3 | Confident | 79.8 | Confident | 4 Ų | 4 | 68.1 Ų | 68.1 | 3% | 0.027 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 120.3 | 167.5 | -62.1 | 0 | 0 | 0 | 0 | 110.6 | Q599 Y600 C608 H612 R613 | Q599-C625 HydrophobicContact CB-CB 4.3Å; Y600-C625 HydrophobicContact CD1-CB 4.36Å; Y600-C625 VanDerWaalsContact CD1-SG 3.55Å; Y600-C625 HydrophobicContact CE1-CB 3.93Å; Y600-C625 WeakPolarHBondContact CE1-SG 3.39Å; Y600-C625 PolarHBondContact OH-N 3.02Å; C608-C625 WeakPolarHBondContact CA-SG 3.47Å; C608-C625 HydrophobicContact CB-CB 3.73Å; C608-C625 WeakPolarHBondContact CB-SG 3.33Å; C608-C625 WeakPolarHBondContact SG-CB 3.32Å; C608-C625 CovalentContact SG-SG 2.03Å; C608-C625 PolarHBondContact SG-SG 3.26Å; H612-C625 HydrophobicContact CB-CB 4.16Å; R613-C625 CarbonylContact O-C 3.48Å; R613-C625 VanDerWaalsContact O-CA 3.29Å; R613-C625 WeakPolarHBondContact O-CA 3.4Å |
| 626 | I | 86.2 | Confident | 79.8 | Confident | 43 Ų | 43 | 71.4 Ų | 71.4 | 22% | 0.221 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 161.6 | 177.4 | 67.8 | 169.9 | 0 | 0 | 0 | 110.9 | H612 R613 D615 R624 | H612-I626 CarbonylContact C-O 3.44Å; H612-I626 WeakPolarHBondContact CA-O 3.23Å; H612-I626 WeakPolarHBondContact CB-O 3.08Å; R613-I626 HydrophobicContact CG-CG1 4.24Å; R613-I626 PolarHBondContact N-O 3Å; R613-I626 PolarHBondContact O-N 2.86Å; D615-I626 HydrophobicContact CB-CD1 3.7Å; D615-I626 HydrophobicContact CB-CG1 3.93Å; D615-I626 HydrophobicContact CB-CG2 4.07Å; R624-I626 HydrophobicContact CG-CG2 4.18Å |
| 627 | L | 82.8 | Confident | 80.3 | Confident | 117 Ų | 117 | 68.5 Ų | 68.5 | 61% | 0.613 | 37% | 0.374 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 141.7 | 179.5 | -154.5 | 77.2 | 0 | 0 | 0 | 111.9 | ||
| 628 | C | 82.6 | Confident | 80.7 | Confident | 23 Ų | 23 | 69.8 Ų | 69.8 | 16% | 0.155 | 38% | 0.379 | C | S | . | . | trans | -58.2 | 135.8 | 176.5 | -68.1 | 0 | 0 | 0 | 0 | 112.8 | G611 C637 | G611-C628 PolarHBondContact O-N 3.29Å; G611-C628 VanDerWaalsContact O-N 3.16Å; C628-C637 HydrophobicContact CB-CB 3.86Å; C628-C637 WeakPolarHBondContact CB-SG 3.41Å; C628-C637 WeakPolarHBondContact SG-CB 3.05Å; C628-C637 PolarHBondContact SG-N 3.38Å; C628-C637 CovalentContact SG-SG 2.03Å; C628-C637 PolarHBondContact SG-SG 3.16Å | ||
| 629 | T | 82.5 | Confident | 81.1 | Confident | 73 Ų | 73 | 69.1 Ų | 69.1 | 45% | 0.448 | 36% | 0.363 | S | S | . | . | trans | -123.8 | 93.6 | 176.5 | 43 | 0 | 0 | 0 | 0 | 111 | F654 | T629-F654 WeakPolarHBondContact O-CD1 3.4Š| ||
| 630 | C | 83.4 | Confident | 81 | Confident | 7 Ų | 7 | 71.4 Ų | 71.4 | 5% | 0.047 | 37% | 0.37 | C | S | . | . | trans | -116.1 | 24.3 | -173.6 | -53.2 | 0 | 0 | 0 | 0 | 114 | N632 H633 A634 C644 F654 | C630-N632 PolarHBondContact O-N 2.87Å; C630-H633 PolarHBondContact O-N 3.34Å; C630-A634 HydrophobicContact CB-CB 3.72Å; C630-A634 VanDerWaalsContact CB-O 3.31Å; C630-A634 WeakPolarHBondContact CB-O 3.42Å; C630-C644 WeakPolarHBondContact CA-SG 3.08Å; C630-C644 HydrophobicContact CB-CB 3.61Å; C630-C644 WeakPolarHBondContact CB-SG 3.35Å; C630-C644 WeakPolarHBondContact SG-CB 3.45Å; C630-C644 CovalentContact SG-SG 2.02Å; C630-C644 PolarHBondContact SG-SG 2.85Å; C630-F654 CarbonylContact C-O 3.5Å | ||
| 631 | N | 79.7 | Confident | 81 | Confident | 77 Ų | 77 | 67.4 Ų | 67.4 | 41% | 0.412 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.9 | 35.3 | 176.7 | -66.1 | -54.4 | 0 | 0 | 0 | 115.4 | H633 F654 | N631-H633 PolarHBondContact O-CD2 2.87Å; N631-H633 PolarHBondContact O-N 2.81Å; N631-F654 PolarHBondContact ND2-O 3.36Å |
| 632 | N | 75.1 | Confident | 81 | Confident | 166 Ų | 166 | 63.3 Ų | 63.3 | 89% | 0.888 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.5 | 8.2 | -174.8 | -63.2 | -27.2 | 0 | 0 | 0 | 116.6 | C630 | C630-N632 PolarHBondContact O-N 2.87Š|
| 633 | H | 79.3 | Confident | 81.1 | Confident | 22 Ų | 22 | 66.2 Ų | 66.2 | 10% | 0.102 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -94.1 | -2.8 | 172.6 | -65.1 | -67.1 | 0 | 0 | 0 | 113.2 | C630 N631 Q647 D648 C655 A666 | C630-H633 PolarHBondContact O-N 3.34Å; N631-H633 PolarHBondContact O-CD2 2.87Å; N631-H633 PolarHBondContact O-N 2.81Å; H633-Q647 VanDerWaalsContact O-CB 3.28Å; H633-Q647 WeakPolarHBondContact O-CB 3.49Å; H633-Q647 WeakPolarHBondContact O-CG 3.29Å; H633-Q647 PolarHBondContact O-N 2.95Å; H633-D648 IonicContact CE1-OD2 2.76Å; H633-D648 IonicContact CG-OD2 2.94Å; H633-D648 IonicContact ND1-OD2 3.56Å; H633-D648 PolarHBondContact ND1-OD2 3.42Å; H633-C655 HydrophobicContact CB-CB 3.8Å; H633-A666 PolarHBondContact NE2-O 3.29Å |
| 634 | A | 81.1 | Confident | 81.1 | Confident | 15 Ų | 15 | 64.2 Ų | 64.2 | 12% | 0.124 | 33% | 0.331 | C | S | . | . | trans | -157.3 | 155.8 | 167 | 0 | 0 | 0 | 0 | 0 | 110.5 | C630 C644 E645 | C630-A634 HydrophobicContact CB-CB 3.72Å; C630-A634 VanDerWaalsContact CB-O 3.31Å; C630-A634 WeakPolarHBondContact CB-O 3.42Å; A634-C644 HydrophobicContact CB-CB 4.14Å; A634-E645 WeakPolarHBondContact CB-O 3.36Å | ||
| 635 | T | 75.3 | Confident | 80.8 | Confident | 131 Ų | 131 | 63.9 Ų | 63.9 | 80% | 0.804 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -106.3 | -9.7 | 173.2 | 57.7 | 0 | 0 | 0 | 0 | 113.2 | ||
| 636 | R | 81.1 | Confident | 80.8 | Confident | 150 Ų | 150 | 65.4 Ų | 65.4 | 57% | 0.566 | 35% | 0.347 | S | S | * | . | trans | -130.4 | 145.5 | -178.7 | -61.1 | -178.1 | -177.4 | -114.1 | -0.2 | 108.3 | D610 | D610-R636 IonicContact OD1-NH1 3.01Å; D610-R636 PolarHBondContact OD1-NH1 2.84Å; D610-R636 IonicContact OD2-CZ 3.99Å; D610-R636 IonicContact OD2-NH1 3.97Å; D610-R636 PolarHBondContact OD2-NH1 3.28Å | ||
| 637 | C | 83.1 | Confident | 80.7 | Confident | 14 Ų | 14 | 69.3 Ų | 69.3 | 10% | 0.095 | 36% | 0.364 | C | S | . | . | B | Isolated β-bridge | trans | -133.3 | 154.1 | 173.6 | 69.5 | 0 | 0 | 0 | 0 | 108.8 | R613 C628 P639 Q643 C644 | R613-C637 VanDerWaalsContact CB-SG 3.56Å; C628-C637 HydrophobicContact CB-CB 3.86Å; C628-C637 WeakPolarHBondContact CB-SG 3.41Å; C628-C637 WeakPolarHBondContact SG-CB 3.05Å; C628-C637 PolarHBondContact SG-N 3.38Å; C628-C637 CovalentContact SG-SG 2.03Å; C628-C637 PolarHBondContact SG-SG 3.16Å; C637-P639 WeakPolarHBondContact O-CD 3.29Å; C637-Q643 WeakPolarHBondContact CA-O 3.46Å; C637-C644 HydrophobicContact CB-CB 4.47Å |
| 638 | D | 82 | Confident | 80.7 | Confident | 72 Ų | 72 | 66.8 Ų | 66.8 | 39% | 0.385 | 35% | 0.351 | S | S | . | . | trans | -58.8 | 123.5 | 172.5 | 176.5 | 167.1 | 0 | 0 | 0 | 109.2 | E640 S641 G642 Q643 | D638-E640 PolarHBondContact O-N 3.48Å; D638-E640 PolarHBondContact OD2-N 2.99Å; D638-S641 WeakPolarHBondContact CB-OG 3.37Å; D638-S641 WeakPolarHBondContact OD1-CB 3.29Å; D638-S641 PolarHBondContact OD1-OG 2.69Å; D638-S641 PolarHBondContact OD2-N 2.81Å; D638-G642 WeakPolarHBondContact O-CA 3.46Å; D638-G642 PolarHBondContact O-N 3.15Å; D638-Q643 PolarHBondContact N-O 3.46Å | ||
| 639 | P | 79 | Confident | 80.8 | Confident | 48 Ų | 48 | 69.1 Ų | 69.1 | 31% | 0.312 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | -34.1 | -179.3 | -28.4 | 35.9 | 0 | 0 | 0 | 114.7 | C608 R613 R614 C637 | C608-P639 HydrophobicContact CB-CB 4.11Å; R613-P639 CarbonylContact C-O 3.47Å; R613-P639 VanDerWaalsContact CA-O 3.3Å; R613-P639 WeakPolarHBondContact CA-O 3.44Å; R614-P639 PolarHBondContact N-O 2.83Å; C637-P639 WeakPolarHBondContact O-CD 3.29Å |
| 640 | E | 74.2 | Confident | 81 | Confident | 64 Ų | 64 | 66.1 Ų | 66.1 | 30% | 0.299 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | -52 | -170.3 | -64.8 | -60.5 | 142.8 | 0 | 0 | 111.5 | R614 G618 D638 G642 | R614-E640 WeakPolarHBondContact CD-OE2 3.47Å; R614-E640 IonicContact CZ-OE1 3.81Å; R614-E640 IonicContact CZ-OE2 2.77Å; R614-E640 IonicContact NE-OE1 2.69Å; R614-E640 PolarHBondContact NE-OE1 3Å; R614-E640 IonicContact NE-OE2 3.44Å; R614-E640 PolarHBondContact NE-OE2 3.44Å; R614-E640 IonicContact NH2-OE1 2.83Å; R614-E640 PolarHBondContact NH2-OE1 2.95Å; R614-E640 IonicContact NH2-OE2 3.53Å; R614-E640 PolarHBondContact NH2-OE2 2.94Å; G618-E640 WeakPolarHBondContact CA-O 3.5Å; G618-E640 PolarHBondContact N-O 3.12Å; D638-E640 PolarHBondContact O-N 3.48Å; D638-E640 PolarHBondContact OD2-N 2.99Å; E640-G642 PolarHBondContact O-N 3.36Å |
| 641 | S | 79.5 | Confident | 80.8 | Confident | 38 Ų | 38 | 66.3 Ų | 66.3 | 27% | 0.266 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -18.3 | 179 | 69 | 0 | 0 | 0 | 0 | 112.3 | P617 D638 Q643 L653 | P617-S641 WeakPolarHBondContact CB-O 3.4Å; D638-S641 WeakPolarHBondContact CB-OG 3.37Å; D638-S641 WeakPolarHBondContact OD1-CB 3.29Å; D638-S641 PolarHBondContact OD1-OG 2.69Å; D638-S641 PolarHBondContact OD2-N 2.81Å; S641-Q643 PolarHBondContact O-N 3.38Å; S641-Q643 WeakPolarHBondContact OG-CB 3.33Å; S641-Q643 PolarHBondContact OG-N 3.34Å; S641-L653 VanDerWaalsContact O-CD1 3.23Å; S641-L653 WeakPolarHBondContact O-CD1 3.24Å |
| 642 | G | 76.1 | Confident | 80.8 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 34% | 0.336 | C | S | . | . | trans | 68.7 | 4.7 | -170 | 0 | 0 | 0 | 0 | 0 | 113.7 | R613 D638 E640 C644 | R613-G642 VanDerWaalsContact CD-CA 3.49Å; D638-G642 WeakPolarHBondContact O-CA 3.46Å; D638-G642 PolarHBondContact O-N 3.15Å; E640-G642 PolarHBondContact O-N 3.36Å; G642-C644 PolarHBondContact O-N 2.96Å | ||
| 643 | Q | 82.1 | Confident | 80.9 | Confident | 111 Ų | 111 | 57.9 Ų | 57.9 | 52% | 0.519 | 31% | 0.306 | S | S | . | . | trans | -75.3 | 119.3 | -172.7 | -172.5 | 157.4 | -12.3 | 0 | 0 | 110.2 | C637 D638 S641 L653 | C637-Q643 WeakPolarHBondContact CA-O 3.46Å; D638-Q643 PolarHBondContact N-O 3.46Å; S641-Q643 PolarHBondContact O-N 3.38Å; S641-Q643 WeakPolarHBondContact OG-CB 3.33Å; S641-Q643 PolarHBondContact OG-N 3.34Å; Q643-L653 HydrophobicContact CB-CD1 3.74Å; Q643-L653 HydrophobicContact CG-CD1 4.31Å | ||
| 644 | C | 85.2 | Confident | 81 | Confident | 5 Ų | 5 | 59.5 Ų | 59.5 | 3% | 0.034 | 31% | 0.313 | C | S | . | . | B | Isolated β-bridge | trans | -69.3 | 143 | 170.2 | -62.1 | 0 | 0 | 0 | 0 | 110.6 | C630 A634 C637 G642 C646 L653 C655 | C630-C644 WeakPolarHBondContact CA-SG 3.08Å; C630-C644 HydrophobicContact CB-CB 3.61Å; C630-C644 WeakPolarHBondContact CB-SG 3.35Å; C630-C644 WeakPolarHBondContact SG-CB 3.45Å; C630-C644 CovalentContact SG-SG 2.02Å; C630-C644 PolarHBondContact SG-SG 2.85Å; A634-C644 HydrophobicContact CB-CB 4.14Å; C637-C644 HydrophobicContact CB-CB 4.47Å; G642-C644 PolarHBondContact O-N 2.96Å; C644-C646 PolarHBondContact O-N 2.89Å; C644-L653 PolarHBondContact N-O 3.1Å; C644-L653 VanDerWaalsContact N-O 3.14Å; C644-L653 PolarHBondContact SG-O 3.11Å; C644-L653 VanDerWaalsContact SG-O 3.39Å; C644-C655 WeakPolarHBondContact CB-SG 3.42Å |
| 645 | E | 80.3 | Confident | 81.2 | Confident | 161 Ų | 161 | 58.8 Ų | 58.8 | 75% | 0.752 | 31% | 0.307 | S | S | * | . | trans | -75.5 | 76 | 164.5 | -73.5 | -176.2 | 178.9 | 0 | 0 | 109.2 | A634 Q647 | A634-E645 WeakPolarHBondContact CB-O 3.36Å; E645-Q647 PolarHBondContact O-N 2.89Å | ||
| 646 | C | 85.2 | Confident | 81.7 | Confident | 36 Ų | 36 | 56 Ų | 56 | 24% | 0.243 | 29% | 0.287 | C | S | . | . | trans | -60.5 | 127.6 | -173.9 | -61.6 | 0 | 0 | 0 | 0 | 112.6 | C644 T650 C655 | C644-C646 PolarHBondContact O-N 2.89Å; C646-T650 WeakPolarHBondContact CB-O 3.47Å; C646-C655 WeakPolarHBondContact CA-SG 3.44Å; C646-C655 HydrophobicContact CB-CB 3.82Å; C646-C655 WeakPolarHBondContact CB-SG 3.29Å; C646-C655 WeakPolarHBondContact SG-CA 3.33Å; C646-C655 WeakPolarHBondContact SG-CB 3.33Å; C646-C655 PolarHBondContact SG-N 2.84Å; C646-C655 VanDerWaalsContact SG-N 3.43Å; C646-C655 CovalentContact SG-SG 2.04Å; C646-C655 PolarHBondContact SG-SG 2.89Å | ||
| 647 | Q | 84.4 | Confident | 82 | Confident | 125 Ų | 125 | 55.8 Ų | 55.8 | 58% | 0.584 | 29% | 0.286 | S | S | * | . | trans | -94 | -178.7 | 171.2 | -60.5 | 178.9 | -1.4 | 0 | 0 | 110.6 | H633 E645 N649 T650 | H633-Q647 VanDerWaalsContact O-CB 3.28Å; H633-Q647 WeakPolarHBondContact O-CB 3.49Å; H633-Q647 WeakPolarHBondContact O-CG 3.29Å; H633-Q647 PolarHBondContact O-N 2.95Å; E645-Q647 PolarHBondContact O-N 2.89Å; Q647-N649 VanDerWaalsContact C-N 3.32Å; Q647-N649 PolarHBondContact O-N 3.37Å; Q647-T650 PolarHBondContact O-N 3.41Å; Q647-T650 VanDerWaalsContact O-N 3.16Å; Q647-T650 PolarHBondContact O-OG1 3.19Å | ||
| 648 | D | 83.5 | Confident | 82.1 | Confident | 65 Ų | 65 | 55.9 Ų | 55.9 | 35% | 0.348 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.3 | 30.8 | 170.6 | -49 | -47.8 | 0 | 0 | 0 | 116.2 | H633 T650 V670 | H633-D648 IonicContact CE1-OD2 2.76Å; H633-D648 IonicContact CG-OD2 2.94Å; H633-D648 IonicContact ND1-OD2 3.56Å; H633-D648 PolarHBondContact ND1-OD2 3.42Å; D648-T650 PolarHBondContact O-N 3.3Å; D648-V670 HydrophobicContact CB-CG1 4.37Å; D648-V670 HydrophobicContact CB-CG2 3.88Å; D648-V670 VanDerWaalsContact CG-CG2 3.46Å |
| 649 | N | 85.7 | Confident | 82 | Confident | 72 Ų | 72 | 53.6 Ų | 53.6 | 39% | 0.385 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.1 | 22.2 | -177.2 | -49.1 | -43.2 | 0 | 0 | 0 | 114.1 | Q647 A659 Y662 C676 | Q647-N649 VanDerWaalsContact C-N 3.32Å; Q647-N649 PolarHBondContact O-N 3.37Å; N649-A659 WeakPolarHBondContact O-CB 3.44Å; N649-A659 PolarHBondContact O-N 3.22Å; N649-Y662 HydrophobicContact CB-CD1 3.5Å; N649-Y662 VanDerWaalsContact CB-CD1 3.5Å; N649-Y662 HydrophobicContact CB-CD2 4.33Å; N649-Y662 HydrophobicContact CB-CE1 3.7Å; N649-Y662 HydrophobicContact CB-CE2 4.5Å; N649-Y662 HydrophobicContact CB-CG 3.86Å; N649-Y662 WeakPolarHBondContact OD1-CE1 3.17Å; N649-C676 HydrophobicContact CB-CB 3.93Å; N649-C676 PolarHBondContact ND2-O 3.46Å; N649-C676 WeakPolarHBondContact O-CB 3.23Å |
| 650 | T | 86 | Confident | 82 | Confident | 9 Ų | 9 | 56 Ų | 56 | 6% | 0.055 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 160 | 170.6 | 62.5 | 0 | 0 | 0 | 0 | 110.6 | C646 Q647 D648 C655 R657 A666 | C646-T650 WeakPolarHBondContact CB-O 3.47Å; Q647-T650 PolarHBondContact O-N 3.41Å; Q647-T650 VanDerWaalsContact O-N 3.16Å; Q647-T650 PolarHBondContact O-OG1 3.19Å; D648-T650 PolarHBondContact O-N 3.3Å; T650-C655 WeakPolarHBondContact OG1-CB 3.16Å; T650-R657 CarbonylContact C-O 3.34Å; T650-R657 WeakPolarHBondContact CA-O 3.45Å; T650-A666 HydrophobicContact CG2-CB 4.05Å |
| 651 | G | 79.8 | Confident | 82.1 | Confident | 12 Ų | 12 | 53.6 Ų | 53.6 | 12% | 0.124 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.4 | -174 | -177.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | C655 D656 R657 | G651-C655 CarbonylContact O-C 3.37Å; G651-C655 WeakPolarHBondContact O-CA 3.05Å; G651-D656 PolarHBondContact O-N 3.16Å; G651-R657 PolarHBondContact N-O 3.4Å; G651-R657 WeakPolarHBondContact O-CG 3.42Å; G651-R657 PolarHBondContact O-N 3.29Å; G651-R657 VanDerWaalsContact O-N 3.14Å |
| 652 | G | 79.2 | Confident | 82.4 | Confident | 16 Ų | 16 | 55.4 Ų | 55.4 | 17% | 0.165 | 28% | 0.282 | C | S | . | . | S | Bend | trans | 86.2 | 170 | -160.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | F654 C655 | G652-F654 PolarHBondContact O-N 3.46Å; G652-C655 PolarHBondContact O-N 2.71Å |
| 653 | L | 77.2 | Confident | 82.8 | Confident | 50 Ų | 50 | 58.5 Ų | 58.5 | 26% | 0.262 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -32.2 | -171.4 | -164.8 | 74.1 | 0 | 0 | 0 | 112.4 | P617 S641 Q643 C644 | P617-L653 HydrophobicContact CB-CD2 3.58Å; P617-L653 HydrophobicContact CG-CD2 3.18Å; S641-L653 VanDerWaalsContact O-CD1 3.23Å; S641-L653 WeakPolarHBondContact O-CD1 3.24Å; Q643-L653 HydrophobicContact CB-CD1 3.74Å; Q643-L653 HydrophobicContact CG-CD1 4.31Å; C644-L653 PolarHBondContact N-O 3.1Å; C644-L653 VanDerWaalsContact N-O 3.14Å; C644-L653 PolarHBondContact SG-O 3.11Å; C644-L653 VanDerWaalsContact SG-O 3.39Å |
| 654 | F | 81.6 | Confident | 83 | Confident | 56 Ų | 56 | 54.8 Ų | 54.8 | 25% | 0.246 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.1 | 15 | -176.1 | -52.5 | -53.5 | 0 | 0 | 0 | 113.1 | R613 P617 T629 C630 N631 G652 D656 | R613-F654 VanDerWaalsContact CZ-CE1 3.4Å; P617-F654 HydrophobicContact CG-CZ 4.39Å; T629-F654 WeakPolarHBondContact O-CD1 3.4Å; C630-F654 CarbonylContact C-O 3.5Å; N631-F654 PolarHBondContact ND2-O 3.36Å; G652-F654 PolarHBondContact O-N 3.46Å; F654-D656 VanDerWaalsContact C-N 3.27Å; F654-D656 PolarHBondContact O-N 3.44Å |
| 655 | C | 85.8 | Confident | 82.7 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 30% | 0.304 | C | S | . | . | S | Bend | trans | 58 | 40.2 | -174.2 | -42.8 | 0 | 0 | 0 | 0 | 112.4 | H633 C644 C646 T650 G651 G652 | H633-C655 HydrophobicContact CB-CB 3.8Å; C644-C655 WeakPolarHBondContact CB-SG 3.42Å; C646-C655 WeakPolarHBondContact CA-SG 3.44Å; C646-C655 HydrophobicContact CB-CB 3.82Å; C646-C655 WeakPolarHBondContact CB-SG 3.29Å; C646-C655 WeakPolarHBondContact SG-CA 3.33Å; C646-C655 WeakPolarHBondContact SG-CB 3.33Å; C646-C655 PolarHBondContact SG-N 2.84Å; C646-C655 VanDerWaalsContact SG-N 3.43Å; C646-C655 CovalentContact SG-SG 2.04Å; C646-C655 PolarHBondContact SG-SG 2.89Å; T650-C655 WeakPolarHBondContact OG1-CB 3.16Å; G651-C655 CarbonylContact O-C 3.37Å; G651-C655 WeakPolarHBondContact O-CA 3.05Å; G652-C655 PolarHBondContact O-N 2.71Å |
| 656 | D | 84.8 | Confident | 82.7 | Confident | 72 Ų | 72 | 50.9 Ų | 50.9 | 39% | 0.385 | 27% | 0.27 | S | S | . | . | trans | -100 | -4.3 | -172.6 | 63.4 | -34.8 | 0 | 0 | 0 | 113.9 | G651 F654 F667 | G651-D656 PolarHBondContact O-N 3.16Å; F654-D656 VanDerWaalsContact C-N 3.27Å; F654-D656 PolarHBondContact O-N 3.44Å; D656-F667 HydrophobicContact CB-CZ 4.02Å | ||
| 657 | R | 87 | Confident | 82.6 | Confident | 145 Ų | 145 | 55.2 Ų | 55.2 | 55% | 0.547 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 169.7 | 174.9 | 60.9 | 176.9 | -172 | -167.7 | 4.2 | 110.2 | T650 G651 | T650-R657 CarbonylContact C-O 3.34Å; T650-R657 WeakPolarHBondContact CA-O 3.45Å; G651-R657 PolarHBondContact N-O 3.4Å; G651-R657 WeakPolarHBondContact O-CG 3.42Å; G651-R657 PolarHBondContact O-N 3.29Å; G651-R657 VanDerWaalsContact O-N 3.14Å |
| 658 | C | 86.3 | Confident | 82.4 | Confident | 16 Ų | 16 | 50 Ų | 50 | 11% | 0.108 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 147.6 | 170.4 | -63.1 | 0 | 0 | 0 | 0 | 110.9 | Y662 G664 C676 | C658-Y662 WeakPolarHBondContact CB-O 3.27Å; C658-G664 VanDerWaalsContact SG-C 3.58Å; C658-G664 PolarHBondContact SG-N 3.36Å; C658-G664 VanDerWaalsContact SG-N 3.43Å; C658-G664 PolarHBondContact SG-O 3.31Å; C658-C676 WeakPolarHBondContact CA-SG 3.42Å; C658-C676 HydrophobicContact CB-CB 3.74Å; C658-C676 WeakPolarHBondContact CB-SG 3.35Å; C658-C676 VanDerWaalsContact SG-CA 3.52Å; C658-C676 WeakPolarHBondContact SG-CB 3.02Å; C658-C676 CovalentContact SG-SG 2.04Å; C658-C676 PolarHBondContact SG-SG 3.31Å |
| 659 | A | 80 | Confident | 82 | Confident | 24 Ų | 24 | 51 Ų | 51 | 20% | 0.198 | 28% | 0.275 | C | S | . | . | P | Polyproline II helix | trans | -59.8 | 151.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | N649 G661 Y662 | N649-A659 WeakPolarHBondContact O-CB 3.44Å; N649-A659 PolarHBondContact O-N 3.22Å; A659-G661 PolarHBondContact O-N 3.17Å; A659-Y662 HydrophobicContact CB-CD2 4.01Å; A659-Y662 WeakPolarHBondContact O-CB 3.46Å; A659-Y662 PolarHBondContact O-N 3.03Å |
| 660 | D | 78.9 | Confident | 81.3 | Confident | 99 Ų | 99 | 51.3 Ų | 51.3 | 53% | 0.529 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | 126.7 | 173.7 | -77.8 | -19.6 | 0 | 0 | 0 | 109.6 | K686 | D660-K686 HydrophobicContact CB-CD 4.18Å; D660-K686 HydrophobicContact CB-CG 4.24Å; D660-K686 IonicContact OD1-NZ 3.83Å; D660-K686 WeakPolarHBondContact OD2-CE 3.4Å; D660-K686 IonicContact OD2-NZ 2.83Å; D660-K686 PolarHBondContact OD2-NZ 3.01Å |
| 661 | G | 76.1 | Confident | 80.7 | Confident | 13 Ų | 13 | 58.5 Ų | 58.5 | 13% | 0.134 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 93.7 | 1.7 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | A659 P678 C679 | A659-G661 PolarHBondContact O-N 3.17Å; G661-P678 CarbonylContact O-C 3.3Å; G661-P678 WeakPolarHBondContact O-CA 2.98Å; G661-C679 WeakPolarHBondContact O-CB 3.24Å; G661-C679 PolarHBondContact O-N 3.32Å; G661-C679 PolarHBondContact O-SG 3.48Å; G661-C679 VanDerWaalsContact O-SG 3.33Å |
| 662 | Y | 86.2 | Confident | 80.5 | Confident | 77 Ų | 77 | 59.7 Ų | 59.7 | 30% | 0.302 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 152 | 175.7 | -63.4 | -103.7 | 0 | 0 | 0 | 111.9 | N649 C658 A659 K677 P678 | N649-Y662 HydrophobicContact CB-CD1 3.5Å; N649-Y662 VanDerWaalsContact CB-CD1 3.5Å; N649-Y662 HydrophobicContact CB-CD2 4.33Å; N649-Y662 HydrophobicContact CB-CE1 3.7Å; N649-Y662 HydrophobicContact CB-CE2 4.5Å; N649-Y662 HydrophobicContact CB-CG 3.86Å; N649-Y662 WeakPolarHBondContact OD1-CE1 3.17Å; C658-Y662 WeakPolarHBondContact CB-O 3.27Å; A659-Y662 HydrophobicContact CB-CD2 4.01Å; A659-Y662 WeakPolarHBondContact O-CB 3.46Å; A659-Y662 PolarHBondContact O-N 3.03Å; Y662-K677 CarbonylContact C-O 3.47Å; Y662-K677 WeakPolarHBondContact CA-O 3.06Å; Y662-K677 VanDerWaalsContact CD1-C 3.44Å; Y662-P678 HydrophobicContact CD1-CB 4.44Å; Y662-P678 HydrophobicContact CD1-CG 4.12Å; Y662-P678 HydrophobicContact CE1-CB 4.26Å; Y662-P678 HydrophobicContact CE1-CG 3.69Å |
| 663 | Y | 84.5 | Confident | 80.4 | Confident | 65 Ų | 65 | 63 Ų | 63 | 26% | 0.255 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 149.2 | 177 | 76.9 | -80.4 | 0 | 0 | 0 | 111.5 | K677 P678 Q689 V699 | Y663-K677 WeakPolarHBondContact CD1-O 3.26Å; Y663-K677 HydrophobicContact CE1-CB 4.32Å; Y663-K677 PolarHBondContact N-O 3.41Å; Y663-K677 PolarHBondContact O-N 2.67Å; Y663-P678 WeakPolarHBondContact CE1-O 3.33Å; Y663-Q689 HydrophobicContact CD2-CG 4.05Å; Y663-Q689 VanDerWaalsContact CD2-NE2 3.33Å; Y663-V699 HydrophobicContact CD1-CG1 4.36Å; Y663-V699 HydrophobicContact CD1-CG2 4.42Å; Y663-V699 HydrophobicContact CD2-CG2 3.75Å; Y663-V699 HydrophobicContact CE1-CG2 4.38Å; Y663-V699 HydrophobicContact CE2-CG2 3.68Å; Y663-V699 HydrophobicContact CG-CG1 4.41Å; Y663-V699 HydrophobicContact CG-CG2 4.12Å |
| 664 | G | 85.3 | Confident | 80.2 | Confident | 33 Ų | 33 | 65.2 Ų | 65.2 | 34% | 0.34 | 36% | 0.357 | S | S | . | . | S | Bend | trans | 145.8 | -164.8 | -174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | C658 D674 | C658-G664 VanDerWaalsContact SG-C 3.58Å; C658-G664 PolarHBondContact SG-N 3.36Å; C658-G664 VanDerWaalsContact SG-N 3.43Å; C658-G664 PolarHBondContact SG-O 3.31Å; G664-D674 CarbonylContact C-O 3.55Å; G664-D674 WeakPolarHBondContact CA-O 3.41Å |
| 665 | D | 79.8 | Confident | 80.2 | Confident | 77 Ų | 77 | 63.2 Ų | 63.2 | 41% | 0.412 | 35% | 0.351 | S | S | . | . | trans | -99 | 115.1 | 170.9 | 179.6 | 4.2 | 0 | 0 | 0 | 109.4 | F667 A668 D674 | D665-F667 PolarHBondContact O-N 2.99Å; D665-F667 PolarHBondContact OD1-N 3.39Å; D665-A668 HydrophobicContact CB-CB 4.03Å; D665-A668 WeakPolarHBondContact O-CB 3.27Å; D665-A668 PolarHBondContact O-N 3.24Å; D665-D674 HydrophobicContact CB-CB 4.34Å; D665-D674 PolarHBondContact N-O 2.96Å | ||
| 666 | A | 80.4 | Confident | 80.2 | Confident | 6 Ų | 6 | 63.7 Ų | 63.7 | 5% | 0.05 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -16.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | H633 T650 | H633-A666 PolarHBondContact NE2-O 3.29Å; T650-A666 HydrophobicContact CG2-CB 4.05Å |
| 667 | F | 82.1 | Confident | 80.2 | Confident | 127 Ų | 127 | 64.3 Ų | 64.3 | 56% | 0.557 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95 | -6.7 | 177 | -55.7 | -74.6 | 0 | 0 | 0 | 112.7 | D656 D665 | D656-F667 HydrophobicContact CB-CZ 4.02Å; D665-F667 PolarHBondContact O-N 2.99Å; D665-F667 PolarHBondContact OD1-N 3.39Å |
| 668 | A | 80.2 | Confident | 79.9 | Confident | 17 Ų | 17 | 61.5 Ų | 61.5 | 14% | 0.14 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -68.4 | 143.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110 | D665 V670 D674 | D665-A668 HydrophobicContact CB-CB 4.03Å; D665-A668 WeakPolarHBondContact O-CB 3.27Å; D665-A668 PolarHBondContact O-N 3.24Å; A668-V670 PolarHBondContact O-N 3.43Å; A668-D674 HydrophobicContact CB-CB 4.19Å |
| 669 | S | 75.8 | Confident | 79.8 | Confident | 84 Ų | 84 | 61.4 Ų | 61.4 | 59% | 0.587 | 35% | 0.353 | S | S | * | . | trans | -54.2 | 141 | 174.7 | 61.1 | 0 | 0 | 0 | 0 | 110.6 | N671 S672 | S669-N671 PolarHBondContact O-N 3.11Å; S669-S672 WeakPolarHBondContact O-CB 3.24Å; S669-S672 PolarHBondContact O-N 3.27Å | ||
| 670 | V | 71.4 | Confident | 79.7 | Confident | 79 Ų | 79 | 63.4 Ų | 63.4 | 48% | 0.479 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48 | -27.7 | -175.6 | -173.9 | 0 | 0 | 0 | 0 | 114.3 | D648 A668 | D648-V670 HydrophobicContact CB-CG1 4.37Å; D648-V670 HydrophobicContact CB-CG2 3.88Å; D648-V670 VanDerWaalsContact CG-CG2 3.46Å; A668-V670 PolarHBondContact O-N 3.43Å |
| 671 | N | 71.6 | Confident | 79.7 | Confident | 161 Ų | 161 | 59.3 Ų | 59.3 | 86% | 0.861 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.9 | 7 | 179 | -65.4 | -22.8 | 0 | 0 | 0 | 114.9 | S669 | S669-N671 PolarHBondContact O-N 3.11Š|
| 672 | S | 76.7 | Confident | 79.6 | Confident | 36 Ų | 36 | 61 Ų | 61 | 25% | 0.252 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -74.6 | 149.5 | 178.6 | -179.7 | 0 | 0 | 0 | 0 | 111.1 | S669 D674 A675 | S669-S672 WeakPolarHBondContact O-CB 3.24Å; S669-S672 PolarHBondContact O-N 3.27Å; S672-D674 PolarHBondContact O-N 3.18Å; S672-D674 PolarHBondContact OG-N 3.44Å; S672-A675 WeakPolarHBondContact O-CB 3.35Å; S672-A675 PolarHBondContact O-N 2.84Å |
| 673 | S | 76.2 | Confident | 78.8 | Confident | 86 Ų | 86 | 61.5 Ų | 61.5 | 60% | 0.601 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | -28 | 163.8 | 163.6 | 0 | 0 | 0 | 0 | 112.1 | K677 | S673-K677 WeakPolarHBondContact O-CE 3.45Å; S673-K677 PolarHBondContact O-NZ 3.05Å |
| 674 | D | 74.8 | Confident | 78 | Confident | 97 Ų | 97 | 66.8 Ų | 66.8 | 52% | 0.519 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | -2.5 | -174.5 | -54.7 | -39.4 | 0 | 0 | 0 | 112.5 | G664 D665 A668 S672 | G664-D674 CarbonylContact C-O 3.55Å; G664-D674 WeakPolarHBondContact CA-O 3.41Å; D665-D674 HydrophobicContact CB-CB 4.34Å; D665-D674 PolarHBondContact N-O 2.96Å; A668-D674 HydrophobicContact CB-CB 4.19Å; S672-D674 PolarHBondContact O-N 3.18Å; S672-D674 PolarHBondContact OG-N 3.44Å |
| 675 | A | 80.3 | Confident | 77.2 | Confident | 13 Ų | 13 | 65.6 Ų | 65.6 | 11% | 0.107 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -62.4 | 160.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | S672 K677 | S672-A675 WeakPolarHBondContact O-CB 3.35Å; S672-A675 PolarHBondContact O-N 2.84Å; A675-K677 WeakPolarHBondContact O-CG 3.48Å; A675-K677 PolarHBondContact O-N 3.49Å; A675-K677 VanDerWaalsContact O-N 3.15Å |
| 676 | C | 86.9 | Confident | 77.2 | Confident | 10 Ų | 10 | 66.1 Ų | 66.1 | 7% | 0.068 | 38% | 0.379 | C | S | . | . | trans | -59.8 | 113 | -178.9 | -63.6 | 0 | 0 | 0 | 0 | 112.7 | N649 C658 | N649-C676 HydrophobicContact CB-CB 3.93Å; N649-C676 PolarHBondContact ND2-O 3.46Å; N649-C676 WeakPolarHBondContact O-CB 3.23Å; C658-C676 WeakPolarHBondContact CA-SG 3.42Å; C658-C676 HydrophobicContact CB-CB 3.74Å; C658-C676 WeakPolarHBondContact CB-SG 3.35Å; C658-C676 VanDerWaalsContact SG-CA 3.52Å; C658-C676 WeakPolarHBondContact SG-CB 3.02Å; C658-C676 CovalentContact SG-SG 2.04Å; C658-C676 PolarHBondContact SG-SG 3.31Å | ||
| 677 | K | 84.2 | Confident | 77.2 | Confident | 86 Ų | 86 | 66.9 Ų | 66.9 | 37% | 0.374 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 151.8 | 179 | -66 | 171.5 | -156.1 | 172.8 | 0 | 111.5 | Y662 Y663 S673 A675 C679 | Y662-K677 CarbonylContact C-O 3.47Å; Y662-K677 WeakPolarHBondContact CA-O 3.06Å; Y662-K677 VanDerWaalsContact CD1-C 3.44Å; Y663-K677 WeakPolarHBondContact CD1-O 3.26Å; Y663-K677 HydrophobicContact CE1-CB 4.32Å; Y663-K677 PolarHBondContact N-O 3.41Å; Y663-K677 PolarHBondContact O-N 2.67Å; S673-K677 WeakPolarHBondContact O-CE 3.45Å; S673-K677 PolarHBondContact O-NZ 3.05Å; A675-K677 WeakPolarHBondContact O-CG 3.48Å; A675-K677 PolarHBondContact O-N 3.49Å; A675-K677 VanDerWaalsContact O-N 3.15Å; K677-C679 PolarHBondContact O-N 3.35Å |
| 678 | P | 80.6 | Confident | 77.1 | Confident | 86 Ų | 86 | 65.2 Ų | 65.2 | 56% | 0.558 | 38% | 0.378 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -57.1 | 138.6 | 178.9 | -22.5 | 30.6 | 0 | 0 | 0 | 113 | G661 Y662 Y663 | G661-P678 CarbonylContact O-C 3.3Å; G661-P678 WeakPolarHBondContact O-CA 2.98Å; Y662-P678 HydrophobicContact CD1-CB 4.44Å; Y662-P678 HydrophobicContact CD1-CG 4.12Å; Y662-P678 HydrophobicContact CE1-CB 4.26Å; Y662-P678 HydrophobicContact CE1-CG 3.69Å; Y663-P678 WeakPolarHBondContact CE1-O 3.33Å |
| 679 | C | 83.1 | Confident | 77 | Confident | 13 Ų | 13 | 68.7 Ų | 68.7 | 9% | 0.088 | 39% | 0.391 | C | S | . | . | trans | -59 | 132.7 | 173.1 | -73.7 | 0 | 0 | 0 | 0 | 110.6 | G661 K677 C681 C687 | G661-C679 WeakPolarHBondContact O-CB 3.24Å; G661-C679 PolarHBondContact O-N 3.32Å; G661-C679 PolarHBondContact O-SG 3.48Å; G661-C679 VanDerWaalsContact O-SG 3.33Å; K677-C679 PolarHBondContact O-N 3.35Å; C679-C681 HydrophobicContact CB-CB 4.33Å; C679-C681 PolarHBondContact O-N 3.43Å; C679-C687 VanDerWaalsContact CA-SG 3.58Å; C679-C687 HydrophobicContact CB-CB 3.69Å; C679-C687 WeakPolarHBondContact CB-SG 3.39Å; C679-C687 WeakPolarHBondContact SG-CB 3.37Å; C679-C687 PolarHBondContact SG-N 3.18Å; C679-C687 VanDerWaalsContact SG-N 3.39Å; C679-C687 CovalentContact SG-SG 2.02Å; C679-C687 PolarHBondContact SG-SG 3.41Å | ||
| 680 | P | 79.6 | Confident | 77 | Confident | 66 Ų | 66 | 67.4 Ų | 67.4 | 43% | 0.429 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -78.9 | 48.1 | 174.8 | 35.1 | -35.8 | 0 | 0 | 0 | 111.3 | V699 | P680-V699 HydrophobicContact CG-CB 4.34Å; P680-V699 HydrophobicContact CG-CG1 4.17Å |
| 681 | C | 78.7 | Confident | 77.1 | Confident | 14 Ų | 14 | 72 Ų | 72 | 10% | 0.095 | 39% | 0.39 | C | S | . | . | S | Bend | trans | -113.4 | 139.5 | -178.4 | -62 | 0 | 0 | 0 | 0 | 109.9 | C679 A685 C701 | C679-C681 HydrophobicContact CB-CB 4.33Å; C679-C681 PolarHBondContact O-N 3.43Å; C681-A685 HydrophobicContact CB-CB 4Å; C681-A685 WeakPolarHBondContact CB-O 3.39Å; C681-C701 VanDerWaalsContact CA-SG 3.56Å; C681-C701 HydrophobicContact CB-CB 3.97Å; C681-C701 WeakPolarHBondContact CB-SG 3.4Å; C681-C701 VanDerWaalsContact SG-CA 3.56Å; C681-C701 WeakPolarHBondContact SG-CB 3.31Å; C681-C701 CovalentContact SG-SG 2.01Å; C681-C701 PolarHBondContact SG-SG 3.38Å |
| 682 | P | 73.6 | Confident | 76.3 | Confident | 48 Ų | 48 | 69.9 Ų | 69.9 | 31% | 0.312 | 37% | 0.369 | S | S | . | . | G | 310 helix | trans | -62.4 | 147.9 | 174.2 | 25.5 | -31.5 | 0 | 0 | 0 | 111.2 | E684 A685 R712 C713 | P682-E684 VanDerWaalsContact C-N 3.26Å; P682-E684 PolarHBondContact O-N 3.06Å; P682-A685 PolarHBondContact O-N 3.18Å; P682-R712 WeakPolarHBondContact CD-O 3.45Å; P682-R712 VanDerWaalsContact CG-O 3.25Å; P682-R712 WeakPolarHBondContact CG-O 3.38Å; P682-C713 HydrophobicContact CG-CB 4.06Å |
| 683 | S | 70 | Confident | 75.8 | Confident | 87 Ų | 87 | 74.4 Ų | 74.4 | 61% | 0.608 | 40% | 0.398 | S | S | * | . | G | 310 helix | trans | 55.9 | 33.4 | 178.7 | -52.5 | 0 | 0 | 0 | 0 | 114.8 | A685 | S683-A685 PolarHBondContact O-N 3.41Å; S683-A685 VanDerWaalsContact O-N 3.15Å |
| 684 | E | 66.4 | Low | 75.6 | Confident | 176 Ų | 176 | 75.8 Ų | 75.8 | 82% | 0.822 | 40% | 0.399 | S | S | * | . | G | 310 helix | trans | 58.3 | 26.2 | 177.5 | -56.2 | -177 | 172.8 | 0 | 0 | 114.2 | P682 | P682-E684 VanDerWaalsContact C-N 3.26Å; P682-E684 PolarHBondContact O-N 3.06Å |
| 685 | A | 69.8 | Low | 74.8 | Confident | 9 Ų | 9 | 82.1 Ų | 82.1 | 7% | 0.074 | 42% | 0.415 | C | S | . | . | trans | -61 | 147.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | C681 P682 S683 | C681-A685 HydrophobicContact CB-CB 4Å; C681-A685 WeakPolarHBondContact CB-O 3.39Å; P682-A685 PolarHBondContact O-N 3.18Å; S683-A685 PolarHBondContact O-N 3.41Å; S683-A685 VanDerWaalsContact O-N 3.15Å | ||
| 686 | K | 78.8 | Confident | 74 | Confident | 88 Ų | 88 | 83.1 Ų | 83.1 | 38% | 0.383 | 42% | 0.422 | S | S | . | . | trans | -60.6 | 150.7 | -179.9 | -58.2 | -171 | -171.6 | -165.4 | 0 | 110.5 | D660 C701 K702 | D660-K686 HydrophobicContact CB-CD 4.18Å; D660-K686 HydrophobicContact CB-CG 4.24Å; D660-K686 IonicContact OD1-NZ 3.83Å; D660-K686 WeakPolarHBondContact OD2-CE 3.4Å; D660-K686 IonicContact OD2-NZ 2.83Å; D660-K686 PolarHBondContact OD2-NZ 3.01Å; K686-C701 CarbonylContact O-C 3.46Å; K686-C701 WeakPolarHBondContact O-CA 3.41Å; K686-K702 HydrophobicContact CB-CB 4.48Å; K686-K702 PolarHBondContact O-N 3.49Å | ||
| 687 | C | 80.8 | Confident | 72.8 | Confident | 22 Ų | 22 | 86.6 Ų | 86.6 | 15% | 0.149 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 159.2 | 177.5 | 73.2 | 0 | 0 | 0 | 0 | 113 | C679 V699 V700 | C679-C687 VanDerWaalsContact CA-SG 3.58Å; C679-C687 HydrophobicContact CB-CB 3.69Å; C679-C687 WeakPolarHBondContact CB-SG 3.39Å; C679-C687 WeakPolarHBondContact SG-CB 3.37Å; C679-C687 PolarHBondContact SG-N 3.18Å; C679-C687 VanDerWaalsContact SG-N 3.39Å; C679-C687 CovalentContact SG-SG 2.02Å; C679-C687 PolarHBondContact SG-SG 3.41Å; C687-V699 HydrophobicContact CB-CG1 3.53Å; C687-V699 WeakPolarHBondContact SG-CG1 3.43Å; C687-V700 CarbonylContact C-O 3.28Å; C687-V700 VanDerWaalsContact CA-O 3.24Å; C687-V700 WeakPolarHBondContact CA-O 3.47Å; C687-V700 WeakPolarHBondContact CB-O 3.36Å |
| 688 | E | 79.2 | Confident | 72.2 | Confident | 92 Ų | 92 | 87.7 Ų | 87.7 | 43% | 0.43 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 142.4 | 177.9 | -173 | 174 | -121 | 0 | 0 | 110.8 | V699 V700 K702 | E688-V699 WeakPolarHBondContact O-CA 3.5Å; E688-V700 PolarHBondContact N-O 2.94Å; E688-V700 PolarHBondContact O-N 2.82Å; E688-K702 HydrophobicContact CB-CD 4.49Å; E688-K702 IonicContact OE1-NZ 2.89Å; E688-K702 PolarHBondContact OE1-NZ 3.38Å; E688-K702 WeakPolarHBondContact OE2-CE 3.33Å; E688-K702 IonicContact OE2-NZ 3.3Å; E688-K702 PolarHBondContact OE2-NZ 2.92Å |
| 689 | Q | 78.6 | Confident | 72.1 | Confident | 90 Ų | 90 | 84.9 Ų | 84.9 | 42% | 0.421 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 114.2 | 172 | -78.3 | -177.6 | -26.9 | 0 | 0 | 110 | Y663 I697 V699 | Y663-Q689 HydrophobicContact CD2-CG 4.05Å; Y663-Q689 VanDerWaalsContact CD2-NE2 3.33Å; Q689-I697 HydrophobicContact CB-CG2 3.89Å; Q689-I697 HydrophobicContact CG-CG2 4.07Å; Q689-V699 HydrophobicContact CG-CG2 3.95Å |
| 690 | V | 74.7 | Confident | 72 | Confident | 56 Ų | 56 | 85.9 Ų | 85.9 | 34% | 0.339 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 134.4 | -179.1 | -171.2 | 0 | 0 | 0 | 0 | 109.9 | K698 V700 | V690-K698 PolarHBondContact N-O 2.94Å; V690-K698 PolarHBondContact O-N 3.26Å; V690-V700 HydrophobicContact CB-CG2 4.31Å; V690-V700 HydrophobicContact CG2-CB 4.26Å; V690-V700 HydrophobicContact CG2-CG2 3.96Å |
| 691 | Y | 74.1 | Confident | 72.2 | Confident | 177 Ų | 177 | 83.3 Ų | 83.3 | 69% | 0.694 | 41% | 0.413 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 115.1 | 172.7 | -76.4 | -90.9 | 0 | 0 | 0 | 110.3 | I697 | Y691-I697 HydrophobicContact CD1-CD1 4.4Å; Y691-I697 HydrophobicContact CD1-CG1 3.78Å; Y691-I697 HydrophobicContact CE1-CD1 3.6Å; Y691-I697 HydrophobicContact CE1-CG1 3.48Å; Y691-I697 VanDerWaalsContact CE1-CG1 3.48Å; Y691-I697 HydrophobicContact CG-CG1 4.44Å |
| 692 | W | 55.1 | Low | 72.1 | Confident | 115 Ų | 115 | 87.1 Ų | 87.1 | 44% | 0.436 | 43% | 0.428 | S | S | . | . | trans | -82.7 | 157.7 | 174.6 | -75.8 | 72 | 0 | 0 | 0 | 111.2 | D694 R695 S696 | W692-D694 WeakPolarHBondContact CB-OD1 3.48Å; W692-D694 PolarHBondContact O-N 2.91Å; W692-D694 VanDerWaalsContact O-N 3.08Å; W692-R695 WeakPolarHBondContact O-CA 3.27Å; W692-R695 PolarHBondContact O-N 2.7Å; W692-S696 PolarHBondContact N-O 2.92Å | ||
| 693 | P | 66.6 | Low | 72.1 | Confident | 131 Ų | 131 | 90.9 Ų | 90.9 | 85% | 0.851 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -25.8 | -179.2 | -24.5 | 33.2 | 0 | 0 | 0 | 114.3 | R695 | P693-R695 PolarHBondContact O-N 2.8Š|
| 694 | D | 70.8 | Confident | 72.5 | Confident | 116 Ų | 116 | 88 Ų | 88 | 62% | 0.62 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | 6.8 | 176.3 | 71.1 | -10.8 | 0 | 0 | 0 | 113.8 | W692 S696 | W692-D694 WeakPolarHBondContact CB-OD1 3.48Å; W692-D694 PolarHBondContact O-N 2.91Å; W692-D694 VanDerWaalsContact O-N 3.08Å; D694-S696 VanDerWaalsContact CG-OG 3.29Å; D694-S696 PolarHBondContact O-N 3.26Å; D694-S696 VanDerWaalsContact OD1-CB 3.26Å; D694-S696 WeakPolarHBondContact OD1-CB 3.4Å; D694-S696 PolarHBondContact OD1-N 2.02Å; D694-S696 PolarHBondContact OD1-OG 3.1Å; D694-S696 PolarHBondContact OD2-OG 3.48Å |
| 695 | R | 58.6 | Low | 72.9 | Confident | 230 Ų | 230 | 81.9 Ų | 81.9 | 87% | 0.868 | 40% | 0.401 | S | S | * | . | S | Bend | trans | 66.1 | 11 | -174.4 | -53.8 | -179.6 | 174.1 | -158.5 | -2.4 | 114.6 | W692 P693 | W692-R695 WeakPolarHBondContact O-CA 3.27Å; W692-R695 PolarHBondContact O-N 2.7Å; P693-R695 PolarHBondContact O-N 2.8Å |
| 696 | S | 62.6 | Low | 73.3 | Confident | 34 Ų | 34 | 86 Ų | 86 | 24% | 0.238 | 42% | 0.422 | C | S | . | . | trans | -78.8 | 136.1 | 168.9 | 71.9 | 0 | 0 | 0 | 0 | 110.6 | W692 D694 | W692-S696 PolarHBondContact N-O 2.92Å; D694-S696 VanDerWaalsContact CG-OG 3.29Å; D694-S696 PolarHBondContact O-N 3.26Å; D694-S696 VanDerWaalsContact OD1-CB 3.26Å; D694-S696 WeakPolarHBondContact OD1-CB 3.4Å; D694-S696 PolarHBondContact OD1-N 2.02Å; D694-S696 PolarHBondContact OD1-OG 3.1Å; D694-S696 PolarHBondContact OD2-OG 3.48Å | ||
| 697 | I | 62.1 | Low | 73.5 | Confident | 83 Ų | 83 | 85.4 Ų | 85.4 | 43% | 0.426 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 120.7 | 170.4 | -59.6 | 171.7 | 0 | 0 | 0 | 106.7 | Q689 Y691 | Q689-I697 HydrophobicContact CB-CG2 3.89Å; Q689-I697 HydrophobicContact CG-CG2 4.07Å; Y691-I697 HydrophobicContact CD1-CD1 4.4Å; Y691-I697 HydrophobicContact CD1-CG1 3.78Å; Y691-I697 HydrophobicContact CE1-CD1 3.6Å; Y691-I697 HydrophobicContact CE1-CG1 3.48Å; Y691-I697 VanDerWaalsContact CE1-CG1 3.48Å; Y691-I697 HydrophobicContact CG-CG1 4.44Å |
| 698 | K | 72.9 | Confident | 73.8 | Confident | 109 Ų | 109 | 86.9 Ų | 86.9 | 47% | 0.474 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 142.4 | 173.1 | -59.6 | -144.5 | 179.8 | -173.1 | 0 | 110.8 | V690 | V690-K698 PolarHBondContact N-O 2.94Å; V690-K698 PolarHBondContact O-N 3.26Å |
| 699 | V | 78.5 | Confident | 73.9 | Confident | 27 Ų | 27 | 84.1 Ų | 84.1 | 16% | 0.164 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 119.5 | 174.1 | -177.2 | 0 | 0 | 0 | 0 | 108.3 | Y663 P680 C687 E688 Q689 | Y663-V699 HydrophobicContact CD1-CG1 4.36Å; Y663-V699 HydrophobicContact CD1-CG2 4.42Å; Y663-V699 HydrophobicContact CD2-CG2 3.75Å; Y663-V699 HydrophobicContact CE1-CG2 4.38Å; Y663-V699 HydrophobicContact CE2-CG2 3.68Å; Y663-V699 HydrophobicContact CG-CG1 4.41Å; Y663-V699 HydrophobicContact CG-CG2 4.12Å; P680-V699 HydrophobicContact CG-CB 4.34Å; P680-V699 HydrophobicContact CG-CG1 4.17Å; C687-V699 HydrophobicContact CB-CG1 3.53Å; C687-V699 WeakPolarHBondContact SG-CG1 3.43Å; E688-V699 WeakPolarHBondContact O-CA 3.5Å; Q689-V699 HydrophobicContact CG-CG2 3.95Å |
| 700 | V | 80.8 | Confident | 73.8 | Confident | 33 Ų | 33 | 80.7 Ų | 80.7 | 20% | 0.2 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 131.6 | -177.8 | -176.7 | 0 | 0 | 0 | 0 | 108.9 | C687 E688 V690 I711 | C687-V700 CarbonylContact C-O 3.28Å; C687-V700 VanDerWaalsContact CA-O 3.24Å; C687-V700 WeakPolarHBondContact CA-O 3.47Å; C687-V700 WeakPolarHBondContact CB-O 3.36Å; E688-V700 PolarHBondContact N-O 2.94Å; E688-V700 PolarHBondContact O-N 2.82Å; V690-V700 HydrophobicContact CB-CG2 4.31Å; V690-V700 HydrophobicContact CG2-CB 4.26Å; V690-V700 HydrophobicContact CG2-CG2 3.96Å; V700-I711 HydrophobicContact CG1-CB 4.45Å; V700-I711 HydrophobicContact CG1-CG2 4.49Å |
| 701 | C | 82.5 | Confident | 74 | Confident | 12 Ų | 12 | 81.5 Ų | 81.5 | 8% | 0.081 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 136.3 | 177.8 | -51.1 | 0 | 0 | 0 | 0 | 111.2 | C681 K686 I711 R712 | C681-C701 VanDerWaalsContact CA-SG 3.56Å; C681-C701 HydrophobicContact CB-CB 3.97Å; C681-C701 WeakPolarHBondContact CB-SG 3.4Å; C681-C701 VanDerWaalsContact SG-CA 3.56Å; C681-C701 WeakPolarHBondContact SG-CB 3.31Å; C681-C701 CovalentContact SG-SG 2.01Å; C681-C701 PolarHBondContact SG-SG 3.38Å; K686-C701 CarbonylContact O-C 3.46Å; K686-C701 WeakPolarHBondContact O-CA 3.41Å; C701-I711 PolarHBondContact N-O 3.42Å; C701-I711 PolarHBondContact SG-O 2.03Å; C701-R712 VanDerWaalsContact SG-CA 3.59Å |
| 702 | K | 77 | Confident | 74.3 | Confident | 94 Ų | 94 | 79.6 Ų | 79.6 | 41% | 0.409 | 40% | 0.398 | S | S | . | . | trans | -107.7 | 151.3 | 171.2 | -76.9 | -171.6 | 177.8 | 172.7 | 0 | 109.5 | K686 E688 | K686-K702 HydrophobicContact CB-CB 4.48Å; K686-K702 PolarHBondContact O-N 3.49Å; E688-K702 HydrophobicContact CB-CD 4.49Å; E688-K702 IonicContact OE1-NZ 2.89Å; E688-K702 PolarHBondContact OE1-NZ 3.38Å; E688-K702 WeakPolarHBondContact OE2-CE 3.33Å; E688-K702 IonicContact OE2-NZ 3.3Å; E688-K702 PolarHBondContact OE2-NZ 2.92Å | ||
| 703 | D | 74.3 | Confident | 75.6 | Confident | 127 Ų | 127 | 74.1 Ų | 74.1 | 68% | 0.679 | 38% | 0.378 | S | S | * | . | S | Bend | trans | 54.8 | 55.8 | 176.4 | -52.5 | -32.8 | 0 | 0 | 0 | 113.5 | P705 | D703-P705 WeakPolarHBondContact O-CD 3.5Å; D703-P705 VanDerWaalsContact O-N 3.09Å |
| 704 | C | 79.1 | Confident | 76.3 | Confident | 28 Ų | 28 | 72.1 Ų | 72.1 | 19% | 0.189 | 36% | 0.357 | C | S | . | . | trans | -55.3 | 113.5 | 177.9 | -71.9 | 0 | 0 | 0 | 0 | 111.8 | R708 C713 | C704-R708 HydrophobicContact CB-CB 4.01Å; C704-R708 WeakPolarHBondContact CB-O 3.38Å; C704-C713 WeakPolarHBondContact CA-SG 3.05Å; C704-C713 HydrophobicContact CB-CB 3.66Å; C704-C713 WeakPolarHBondContact CB-SG 3.15Å; C704-C713 WeakPolarHBondContact SG-CA 3.41Å; C704-C713 WeakPolarHBondContact SG-CB 3.28Å; C704-C713 CovalentContact SG-SG 2.03Å; C704-C713 PolarHBondContact SG-SG 3.02Å | ||
| 705 | P | 74.6 | Confident | 77 | Confident | 46 Ų | 46 | 72 Ų | 72 | 30% | 0.299 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | 168.3 | -179.3 | 29.3 | -33.8 | 0 | 0 | 0 | 111.5 | D703 N707 R708 | D703-P705 WeakPolarHBondContact O-CD 3.5Å; D703-P705 VanDerWaalsContact O-N 3.09Å; P705-N707 VanDerWaalsContact C-N 3.27Å; P705-N707 PolarHBondContact O-N 2.01Å; P705-R708 WeakPolarHBondContact O-CB 3.31Å; P705-R708 WeakPolarHBondContact O-CG 3.37Å; P705-R708 PolarHBondContact O-N 3.37Å |
| 706 | D | 78.2 | Confident | 78.4 | Confident | 96 Ų | 96 | 61.5 Ų | 61.5 | 51% | 0.513 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.8 | 33.2 | 177.7 | -50.1 | -38.9 | 0 | 0 | 0 | 114.6 | R708 C730 | D706-R708 VanDerWaalsContact C-N 3.34Å; D706-R708 PolarHBondContact O-N 2.78Å; D706-C730 WeakPolarHBondContact O-CB 3.29Å |
| 707 | N | 83.2 | Confident | 79.4 | Confident | 75 Ų | 75 | 61 Ų | 61 | 40% | 0.401 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.4 | 42.6 | 179.9 | -45.9 | -63.1 | 0 | 0 | 0 | 112.9 | P705 A717 F720 C730 | P705-N707 VanDerWaalsContact C-N 3.27Å; P705-N707 PolarHBondContact O-N 2.01Å; N707-A717 VanDerWaalsContact O-CB 3.25Å; N707-A717 WeakPolarHBondContact O-CB 3.22Å; N707-A717 PolarHBondContact O-N 3.17Å; N707-F720 HydrophobicContact CB-CB 4.28Å; N707-F720 HydrophobicContact CB-CD1 3.37Å; N707-F720 HydrophobicContact CB-CD2 3.91Å; N707-F720 HydrophobicContact CB-CE1 3.54Å; N707-F720 HydrophobicContact CB-CE2 4.05Å; N707-F720 HydrophobicContact CB-CG 3.59Å; N707-F720 HydrophobicContact CB-CZ 3.88Å; N707-F720 VanDerWaalsContact CG-CZ 3.45Å; N707-F720 WeakPolarHBondContact ND2-CE1 3.32Å; N707-F720 WeakPolarHBondContact OD1-CZ 3.32Å; N707-C730 HydrophobicContact CB-CB 4.26Å |
| 708 | R | 85.4 | Confident | 80.4 | Confident | 53 Ų | 53 | 60.6 Ų | 60.6 | 20% | 0.2 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 165.8 | 175.5 | -63.6 | 177.1 | -172.4 | -145.7 | 3 | 111.8 | C704 P705 D706 C713 R715 P724 | C704-R708 HydrophobicContact CB-CB 4.01Å; C704-R708 WeakPolarHBondContact CB-O 3.38Å; P705-R708 WeakPolarHBondContact O-CB 3.31Å; P705-R708 WeakPolarHBondContact O-CG 3.37Å; P705-R708 PolarHBondContact O-N 3.37Å; D706-R708 VanDerWaalsContact C-N 3.34Å; D706-R708 PolarHBondContact O-N 2.78Å; R708-C713 HydrophobicContact CB-CB 3.94Å; R708-C713 WeakPolarHBondContact CD-O 3.32Å; R708-R715 CarbonylContact C-O 3.45Å; R708-R715 VanDerWaalsContact CA-O 3.24Å; R708-R715 WeakPolarHBondContact CA-O 3.42Å; R708-R715 WeakPolarHBondContact CB-O 3.32Å; R708-P724 HydrophobicContact CG-CG 4.21Å |
| 709 | S | 81.4 | Confident | 80.9 | Confident | 34 Ų | 34 | 57.3 Ų | 57.3 | 24% | 0.238 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 173.2 | 177.7 | -170.4 | 0 | 0 | 0 | 0 | 110.4 | C713 E714 R715 | S709-C713 CarbonylContact O-C 3.56Å; S709-C713 VanDerWaalsContact O-C 3.27Å; S709-C713 VanDerWaalsContact O-CA 3.29Å; S709-C713 WeakPolarHBondContact O-CA 2.94Å; S709-E714 PolarHBondContact O-N 3.26Å; S709-R715 PolarHBondContact N-O 2.82Å; S709-R715 WeakPolarHBondContact O-CG 3.34Å; S709-R715 PolarHBondContact O-N 3.27Å; S709-R715 VanDerWaalsContact O-O 3.07Å; S709-R715 PolarHBondContact OG-NH2 2.94Å |
| 710 | G | 77.6 | Confident | 81.3 | Confident | 18 Ų | 18 | 58.2 Ų | 58.2 | 19% | 0.186 | 29% | 0.293 | C | S | . | . | S | Bend | trans | 103 | 164.8 | -171.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | R712 C713 E714 | G710-R712 PolarHBondContact O-N 2.86Å; G710-C713 PolarHBondContact O-N 3.1Å; G710-C713 VanDerWaalsContact O-N 3.08Å; G710-E714 VanDerWaalsContact C-OE2 3.31Å; G710-E714 WeakPolarHBondContact CA-OE1 3.48Å |
| 711 | I | 78.2 | Confident | 81.7 | Confident | 74 Ų | 74 | 60 Ų | 60 | 38% | 0.379 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -20.8 | -173.7 | 57.3 | 162 | 0 | 0 | 0 | 112.8 | V700 C701 E714 | V700-I711 HydrophobicContact CG1-CB 4.45Å; V700-I711 HydrophobicContact CG1-CG2 4.49Å; C701-I711 PolarHBondContact N-O 3.42Å; C701-I711 PolarHBondContact SG-O 2.03Å; I711-E714 PolarHBondContact N-OE1 3.44Å; I711-E714 PolarHBondContact N-OE2 2.97Å |
| 712 | R | 80.7 | Confident | 81.8 | Confident | 136 Ų | 136 | 59.5 Ų | 59.5 | 51% | 0.513 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -128.7 | 22.7 | 177.3 | -66.6 | -168.5 | 177 | 118.1 | -2.3 | 112.6 | P682 C701 G710 E714 | P682-R712 WeakPolarHBondContact CD-O 3.45Å; P682-R712 VanDerWaalsContact CG-O 3.25Å; P682-R712 WeakPolarHBondContact CG-O 3.38Å; C701-R712 VanDerWaalsContact SG-CA 3.59Å; G710-R712 PolarHBondContact O-N 2.86Å; R712-E714 WeakPolarHBondContact CA-OE2 3.46Å; R712-E714 WeakPolarHBondContact CB-OE2 3.27Å; R712-E714 PolarHBondContact N-OE2 3.02Å; R712-E714 PolarHBondContact O-N 2.77Å |
| 713 | C | 82.8 | Confident | 82.2 | Confident | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.007 | 28% | 0.279 | C | S | . | . | S | Bend | trans | 54.8 | 33.4 | -176.5 | -47 | 0 | 0 | 0 | 0 | 113.1 | P682 C704 R708 S709 G710 | P682-C713 HydrophobicContact CG-CB 4.06Å; C704-C713 WeakPolarHBondContact CA-SG 3.05Å; C704-C713 HydrophobicContact CB-CB 3.66Å; C704-C713 WeakPolarHBondContact CB-SG 3.15Å; C704-C713 WeakPolarHBondContact SG-CA 3.41Å; C704-C713 WeakPolarHBondContact SG-CB 3.28Å; C704-C713 CovalentContact SG-SG 2.03Å; C704-C713 PolarHBondContact SG-SG 3.02Å; R708-C713 HydrophobicContact CB-CB 3.94Å; R708-C713 WeakPolarHBondContact CD-O 3.32Å; S709-C713 CarbonylContact O-C 3.56Å; S709-C713 VanDerWaalsContact O-C 3.27Å; S709-C713 VanDerWaalsContact O-CA 3.29Å; S709-C713 WeakPolarHBondContact O-CA 2.94Å; G710-C713 PolarHBondContact O-N 3.1Å; G710-C713 VanDerWaalsContact O-N 3.08Å |
| 714 | E | 81.5 | Confident | 82.2 | Confident | 88 Ų | 88 | 50.3 Ų | 50.3 | 41% | 0.411 | 25% | 0.25 | S | S | . | . | trans | -79.2 | -16.4 | -172.5 | 65.7 | -82.5 | -171.5 | 0 | 0 | 114.4 | S709 G710 I711 R712 | S709-E714 PolarHBondContact O-N 3.26Å; G710-E714 VanDerWaalsContact C-OE2 3.31Å; G710-E714 WeakPolarHBondContact CA-OE1 3.48Å; I711-E714 PolarHBondContact N-OE1 3.44Å; I711-E714 PolarHBondContact N-OE2 2.97Å; R712-E714 WeakPolarHBondContact CA-OE2 3.46Å; R712-E714 WeakPolarHBondContact CB-OE2 3.27Å; R712-E714 PolarHBondContact N-OE2 3.02Å; R712-E714 PolarHBondContact O-N 2.77Å | ||
| 715 | R | 85.2 | Confident | 81.9 | Confident | 113 Ų | 113 | 53.2 Ų | 53.2 | 43% | 0.426 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 169.1 | -178.9 | 58.3 | 175.5 | -177 | 99.5 | -5.8 | 110.9 | R708 S709 E718 | R708-R715 CarbonylContact C-O 3.45Å; R708-R715 VanDerWaalsContact CA-O 3.24Å; R708-R715 WeakPolarHBondContact CA-O 3.42Å; R708-R715 WeakPolarHBondContact CB-O 3.32Å; S709-R715 PolarHBondContact N-O 2.82Å; S709-R715 WeakPolarHBondContact O-CG 3.34Å; S709-R715 PolarHBondContact O-N 3.27Å; S709-R715 VanDerWaalsContact O-O 3.07Å; S709-R715 PolarHBondContact OG-NH2 2.94Å; R715-E718 IonicContact NH1-OE1 3.79Å; R715-E718 PolarHBondContact NH1-OE1 3.27Å |
| 716 | C | 86.7 | Confident | 82.2 | Confident | 10 Ų | 10 | 58.7 Ų | 58.7 | 7% | 0.068 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 152.1 | 171.4 | -65.2 | 0 | 0 | 0 | 0 | 111.7 | F720 G722 C730 | C716-F720 HydrophobicContact CB-CB 4.22Å; C716-F720 WeakPolarHBondContact CB-O 3.38Å; C716-G722 VanDerWaalsContact SG-CA 3.56Å; C716-G722 PolarHBondContact SG-N 2.93Å; C716-G722 VanDerWaalsContact SG-N 3.36Å; C716-C730 WeakPolarHBondContact CA-SG 3.43Å; C716-C730 HydrophobicContact CB-CB 3.85Å; C716-C730 WeakPolarHBondContact CB-SG 3.4Å; C716-C730 WeakPolarHBondContact SG-CB 3.02Å; C716-C730 CovalentContact SG-SG 2.04Å; C716-C730 PolarHBondContact SG-SG 3.42Å |
| 717 | A | 84.4 | Confident | 82 | Confident | 23 Ų | 23 | 57.1 Ų | 57.1 | 19% | 0.19 | 30% | 0.302 | C | S | . | . | P | Polyproline II helix | trans | -66.9 | 162 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | N707 N719 F720 | N707-A717 VanDerWaalsContact O-CB 3.25Å; N707-A717 WeakPolarHBondContact O-CB 3.22Å; N707-A717 PolarHBondContact O-N 3.17Å; A717-N719 PolarHBondContact O-N 3.03Å; A717-F720 HydrophobicContact CB-CD2 4.34Å; A717-F720 PolarHBondContact O-N 3.22Å |
| 718 | E | 82.5 | Confident | 81.7 | Confident | 76 Ų | 76 | 57.9 Ų | 57.9 | 36% | 0.355 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | 136.9 | 179 | -55.8 | -58.2 | 139.1 | 0 | 0 | 110.5 | R715 F720 F744 | R715-E718 IonicContact NH1-OE1 3.79Å; R715-E718 PolarHBondContact NH1-OE1 3.27Å; E718-F720 VanDerWaalsContact C-N 3.27Å; E718-F720 WeakPolarHBondContact O-CD2 3.4Å; E718-F720 PolarHBondContact O-N 3.49Å; E718-F744 HydrophobicContact CB-CD1 3.63Å; E718-F744 HydrophobicContact CB-CE1 4.31Å; E718-F744 HydrophobicContact CG-CD1 3.6Å; E718-F744 HydrophobicContact CG-CE1 4.22Å; E718-F744 HydrophobicContact CG-CG 4.42Å |
| 719 | N | 84.1 | Confident | 81.5 | Confident | 39 Ų | 39 | 59.2 Ų | 59.2 | 21% | 0.209 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 68 | 17.9 | -174.2 | -54.7 | -40.3 | 0 | 0 | 0 | 115.4 | A717 C733 P741 E743 N746 | A717-N719 PolarHBondContact O-N 3.03Å; N719-C733 VanDerWaalsContact CA-SG 3.54Å; N719-C733 PolarHBondContact O-N 3.37Å; N719-C733 PolarHBondContact O-SG 2.98Å; N719-P741 PolarHBondContact ND2-O 3.19Å; N719-E743 PolarHBondContact ND2-O 3.3Å; N719-E743 VanDerWaalsContact ND2-O 3.12Å; N719-E743 PolarHBondContact OD1-O 2.98Å; N719-N746 VanDerWaalsContact OD1-CB 3.32Å; N719-N746 WeakPolarHBondContact OD1-CB 3.37Å; N719-N746 PolarHBondContact OD1-N 2.81Å; N719-N746 PolarHBondContact OD1-ND2 2.63Å |
| 720 | F | 87.9 | Confident | 81.7 | Confident | 47 Ų | 47 | 58.1 Ų | 58.1 | 21% | 0.206 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 149.5 | 167.6 | -68.9 | -103.8 | 0 | 0 | 0 | 110.8 | N707 C716 A717 E718 C730 K731 P732 | N707-F720 HydrophobicContact CB-CB 4.28Å; N707-F720 HydrophobicContact CB-CD1 3.37Å; N707-F720 HydrophobicContact CB-CD2 3.91Å; N707-F720 HydrophobicContact CB-CE1 3.54Å; N707-F720 HydrophobicContact CB-CE2 4.05Å; N707-F720 HydrophobicContact CB-CG 3.59Å; N707-F720 HydrophobicContact CB-CZ 3.88Å; N707-F720 VanDerWaalsContact CG-CZ 3.45Å; N707-F720 WeakPolarHBondContact ND2-CE1 3.32Å; N707-F720 WeakPolarHBondContact OD1-CZ 3.32Å; C716-F720 HydrophobicContact CB-CB 4.22Å; C716-F720 WeakPolarHBondContact CB-O 3.38Å; A717-F720 HydrophobicContact CB-CD2 4.34Å; A717-F720 PolarHBondContact O-N 3.22Å; E718-F720 VanDerWaalsContact C-N 3.27Å; E718-F720 WeakPolarHBondContact O-CD2 3.4Å; E718-F720 PolarHBondContact O-N 3.49Å; F720-C730 HydrophobicContact CB-CB 4.14Å; F720-K731 CarbonylContact C-O 3.53Å; F720-K731 VanDerWaalsContact CA-O 3.22Å; F720-K731 WeakPolarHBondContact CA-O 3.48Å; F720-K731 VanDerWaalsContact CD1-C 3.45Å; F720-P732 HydrophobicContact CD1-CB 4.37Å; F720-P732 HydrophobicContact CD1-CG 4.18Å; F720-P732 HydrophobicContact CE1-CB 4.09Å; F720-P732 HydrophobicContact CE1-CG 3.66Å; F720-P732 HydrophobicContact CZ-CG 4.41Å |
| 721 | Y | 87.7 | Confident | 82 | Confident | 69 Ų | 69 | 62.9 Ų | 62.9 | 27% | 0.271 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 145.5 | 179.2 | 77.7 | -82.5 | 0 | 0 | 0 | 113 | C730 K731 P732 D748 G749 G752 | Y721-C730 CarbonylContact O-C 3.25Å; Y721-C730 WeakPolarHBondContact O-CA 3.4Å; Y721-K731 HydrophobicContact CD1-CB 4.33Å; Y721-K731 VanDerWaalsContact CD1-O 3.27Å; Y721-K731 WeakPolarHBondContact CD1-O 3.35Å; Y721-K731 HydrophobicContact CE1-CB 3.79Å; Y721-K731 PolarHBondContact N-O 2.89Å; Y721-K731 PolarHBondContact O-N 2.92Å; Y721-P732 WeakPolarHBondContact CE1-O 3.49Å; Y721-D748 WeakPolarHBondContact CB-O 3.39Å; Y721-G749 CarbonylContact C-O 3.51Å; Y721-G749 VanDerWaalsContact CA-O 3.26Å; Y721-G749 WeakPolarHBondContact CA-O 3.4Å; Y721-G752 VanDerWaalsContact CB-CA 3.46Å; Y721-G752 VanDerWaalsContact CD2-CA 3.5Å |
| 722 | G | 86 | Confident | 82.4 | Confident | 3 Ų | 3 | 63.4 Ų | 63.4 | 3% | 0.031 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 160.1 | -177.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | C716 G749 | C716-G722 VanDerWaalsContact SG-CA 3.56Å; C716-G722 PolarHBondContact SG-N 2.93Å; C716-G722 VanDerWaalsContact SG-N 3.36Å; G722-G749 PolarHBondContact N-O 3.2Å |
| 723 | D | 84.7 | Confident | 82.6 | Confident | 15 Ų | 15 | 58.2 Ų | 58.2 | 8% | 0.08 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 84.8 | 174.9 | -163.6 | -20.4 | 0 | 0 | 0 | 109.1 | A725 K726 G727 I728 K750 | D723-A725 PolarHBondContact O-N 3.18Å; D723-K726 HydrophobicContact CB-CB 4.27Å; D723-K726 CarbonylContact O-C 3.51Å; D723-K726 PolarHBondContact O-N 2.9Å; D723-K726 WeakPolarHBondContact OD2-CD 3.47Å; D723-K726 IonicContact OD2-NZ 3.79Å; D723-G727 PolarHBondContact O-N 3.49Å; D723-I728 CarbonylContact C-O 3.57Å; D723-I728 VanDerWaalsContact C-O 3.28Å; D723-I728 HydrophobicContact CB-CB 4.25Å; D723-I728 HydrophobicContact CB-CD1 4.17Å; D723-I728 PolarHBondContact N-O 3.38Å; D723-I728 PolarHBondContact O-N 3.43Å; D723-K750 IonicContact OD1-NZ 2.86Å; D723-K750 IonicContact OD2-NZ 2.78Å; D723-K750 PolarHBondContact OD2-NZ 3.49Å |
| 724 | P | 74.1 | Confident | 82.8 | Confident | 13 Ų | 13 | 63 Ų | 63 | 8% | 0.084 | 35% | 0.346 | C | S | . | . | G | 310 helix | trans | -58.7 | -32.6 | -175.8 | -25.4 | 34.6 | 0 | 0 | 0 | 113.4 | R708 K726 G727 | R708-P724 HydrophobicContact CG-CG 4.21Å; P724-K726 PolarHBondContact O-N 3.38Å; P724-G727 PolarHBondContact O-N 2.94Å |
| 725 | A | 73.7 | Confident | 83.1 | Confident | 89 Ų | 89 | 59.1 Ų | 59.1 | 74% | 0.736 | 33% | 0.329 | S | S | * | . | G | 310 helix | trans | -66.1 | -23.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | D723 | D723-A725 PolarHBondContact O-N 3.18Š|
| 726 | K | 79.1 | Confident | 83.1 | Confident | 160 Ų | 160 | 56 Ų | 56 | 70% | 0.696 | 33% | 0.325 | S | S | * | . | G | 310 helix | trans | -99.9 | 7.8 | 173.2 | -64.7 | -176.3 | -177.9 | 174.8 | 0 | 113.2 | D723 P724 I728 | D723-K726 HydrophobicContact CB-CB 4.27Å; D723-K726 CarbonylContact O-C 3.51Å; D723-K726 PolarHBondContact O-N 2.9Å; D723-K726 WeakPolarHBondContact OD2-CD 3.47Å; D723-K726 IonicContact OD2-NZ 3.79Å; P724-K726 PolarHBondContact O-N 3.38Å; K726-I728 VanDerWaalsContact C-N 3.32Å; K726-I728 HydrophobicContact CB-CG1 4.49Å |
| 727 | G | 74 | Confident | 82.9 | Confident | 63 Ų | 63 | 60.2 Ų | 60.2 | 65% | 0.649 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.3 | 13.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | D723 P724 P729 | D723-G727 PolarHBondContact O-N 3.49Å; P724-G727 PolarHBondContact O-N 2.94Å; G727-P729 WeakPolarHBondContact O-CD 3.36Å |
| 728 | I | 78.5 | Confident | 83.1 | Confident | 91 Ų | 91 | 59.8 Ų | 59.8 | 47% | 0.467 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 114.9 | 175.6 | -58.1 | 175.3 | 0 | 0 | 0 | 108 | D723 K726 | D723-I728 CarbonylContact C-O 3.57Å; D723-I728 VanDerWaalsContact C-O 3.28Å; D723-I728 HydrophobicContact CB-CB 4.25Å; D723-I728 HydrophobicContact CB-CD1 4.17Å; D723-I728 PolarHBondContact N-O 3.38Å; D723-I728 PolarHBondContact O-N 3.43Å; K726-I728 VanDerWaalsContact C-N 3.32Å; K726-I728 HydrophobicContact CB-CG1 4.49Å |
| 729 | P | 79.6 | Confident | 83.1 | Confident | 81 Ų | 81 | 56.9 Ų | 56.9 | 53% | 0.526 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 149.1 | -176.6 | 28 | -34 | 0 | 0 | 0 | 112 | G727 K731 | G727-P729 WeakPolarHBondContact O-CD 3.36Å; P729-K731 PolarHBondContact O-N 3.14Å |
| 730 | C | 86.8 | Confident | 82.9 | Confident | 11 Ų | 11 | 56.9 Ų | 56.9 | 7% | 0.074 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 120.1 | 179.8 | -60 | 0 | 0 | 0 | 0 | 111.1 | D706 N707 C716 F720 Y721 | D706-C730 WeakPolarHBondContact O-CB 3.29Å; N707-C730 HydrophobicContact CB-CB 4.26Å; C716-C730 WeakPolarHBondContact CA-SG 3.43Å; C716-C730 HydrophobicContact CB-CB 3.85Å; C716-C730 WeakPolarHBondContact CB-SG 3.4Å; C716-C730 WeakPolarHBondContact SG-CB 3.02Å; C716-C730 CovalentContact SG-SG 2.04Å; C716-C730 PolarHBondContact SG-SG 3.42Å; F720-C730 HydrophobicContact CB-CB 4.14Å; Y721-C730 CarbonylContact O-C 3.25Å; Y721-C730 WeakPolarHBondContact O-CA 3.4Å |
| 731 | K | 84.3 | Confident | 82.2 | Confident | 119 Ų | 119 | 58.9 Ų | 58.9 | 52% | 0.517 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 148.9 | 176.2 | -67.9 | -177.6 | -179.2 | 179.8 | 0 | 110.8 | F720 Y721 P729 | F720-K731 CarbonylContact C-O 3.53Å; F720-K731 VanDerWaalsContact CA-O 3.22Å; F720-K731 WeakPolarHBondContact CA-O 3.48Å; F720-K731 VanDerWaalsContact CD1-C 3.45Å; Y721-K731 HydrophobicContact CD1-CB 4.33Å; Y721-K731 VanDerWaalsContact CD1-O 3.27Å; Y721-K731 WeakPolarHBondContact CD1-O 3.35Å; Y721-K731 HydrophobicContact CE1-CB 3.79Å; Y721-K731 PolarHBondContact N-O 2.89Å; Y721-K731 PolarHBondContact O-N 2.92Å; P729-K731 PolarHBondContact O-N 3.14Å |
| 732 | P | 85.9 | Confident | 81.6 | Confident | 85 Ų | 85 | 65.4 Ų | 65.4 | 55% | 0.552 | 37% | 0.37 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -57.2 | 140.9 | 174.7 | -19 | 28.1 | 0 | 0 | 0 | 111.2 | F720 Y721 D734 | F720-P732 HydrophobicContact CD1-CB 4.37Å; F720-P732 HydrophobicContact CD1-CG 4.18Å; F720-P732 HydrophobicContact CE1-CB 4.09Å; F720-P732 HydrophobicContact CE1-CG 3.66Å; F720-P732 HydrophobicContact CZ-CG 4.41Å; Y721-P732 WeakPolarHBondContact CE1-O 3.49Å; P732-D734 PolarHBondContact O-N 3.32Å |
| 733 | C | 86 | Confident | 81 | Confident | 27 Ų | 27 | 69.8 Ų | 69.8 | 18% | 0.182 | 39% | 0.39 | C | S | . | . | trans | -58.9 | 129.7 | 170.4 | -59 | 0 | 0 | 0 | 0 | 110.1 | N719 C747 | N719-C733 VanDerWaalsContact CA-SG 3.54Å; N719-C733 PolarHBondContact O-N 3.37Å; N719-C733 PolarHBondContact O-SG 2.98Å; C733-C747 HydrophobicContact CB-CB 3.71Å; C733-C747 WeakPolarHBondContact CB-SG 3.29Å; C733-C747 WeakPolarHBondContact SG-CB 3.37Å; C733-C747 CovalentContact SG-SG 2.01Å; C733-C747 PolarHBondContact SG-SG 2.68Å | ||
| 734 | D | 86.6 | Confident | 80.7 | Confident | 102 Ų | 102 | 76 Ų | 76 | 55% | 0.545 | 42% | 0.416 | S | S | . | . | trans | -99.8 | 99.8 | 169.1 | -176.4 | 8 | 0 | 0 | 0 | 109.1 | P732 S736 C754 H765 | P732-D734 PolarHBondContact O-N 3.32Å; D734-S736 PolarHBondContact OD1-N 2.96Å; D734-C754 PolarHBondContact O-SG 3.35Å; D734-C754 VanDerWaalsContact O-SG 3.42Å; D734-H765 WeakPolarHBondContact O-CB 3.35Å; D734-H765 PolarHBondContact O-ND1 2.76Å | ||
| 735 | C | 88 | Confident | 80.9 | Confident | 5 Ų | 5 | 76.5 Ų | 76.5 | 3% | 0.034 | 42% | 0.424 | C | S | . | . | trans | -114 | 29.8 | 177.5 | -57.3 | 0 | 0 | 0 | 0 | 111.9 | N737 N738 V739 C754 H765 C766 | C735-N737 PolarHBondContact O-N 3.13Å; C735-N738 PolarHBondContact O-N 3.13Å; C735-V739 HydrophobicContact CB-CB 4.42Å; C735-V739 HydrophobicContact CB-CG1 3.61Å; C735-V739 HydrophobicContact CB-CG2 3.93Å; C735-C754 WeakPolarHBondContact CA-SG 3.43Å; C735-C754 HydrophobicContact CB-CB 3.97Å; C735-C754 WeakPolarHBondContact CB-SG 3.04Å; C735-C754 WeakPolarHBondContact SG-CB 3.33Å; C735-C754 CovalentContact SG-SG 2.03Å; C735-C754 PolarHBondContact SG-SG 3.19Å; C735-H765 CarbonylContact C-O 3.35Å; C735-H765 VanDerWaalsContact CA-O 3.24Å; C735-H765 WeakPolarHBondContact CA-O 3.33Å; C735-C766 HydrophobicContact CB-CB 4.48Å | ||
| 736 | S | 85.1 | Confident | 81.3 | Confident | 49 Ų | 49 | 72.4 Ų | 72.4 | 34% | 0.343 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.2 | 25.7 | -178.9 | -53 | 0 | 0 | 0 | 0 | 113.7 | D734 N738 H765 | D734-S736 PolarHBondContact OD1-N 2.96Å; S736-N738 PolarHBondContact O-N 3.46Å; S736-N738 PolarHBondContact O-ND2 3.48Å; S736-H765 WeakPolarHBondContact CB-O 3.2Å; S736-H765 PolarHBondContact N-O 3.17Å; S736-H765 PolarHBondContact OG-O 2.83Å |
| 737 | N | 82.6 | Confident | 81.7 | Confident | 98 Ų | 98 | 65.2 Ų | 65.2 | 52% | 0.524 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.1 | 23.7 | -170.9 | -153.3 | 9.9 | 0 | 0 | 0 | 114.3 | C735 R792 | C735-N737 PolarHBondContact O-N 3.13Å; N737-R792 PolarHBondContact O-NE 3.31Å; N737-R792 PolarHBondContact O-NH2 2.96Å; N737-R792 PolarHBondContact OD1-NH2 2.98Å |
| 738 | N | 86.9 | Confident | 82.3 | Confident | 13 Ų | 13 | 65 Ų | 65 | 7% | 0.07 | 34% | 0.343 | C | S | . | . | trans | -102.6 | 33.2 | -178.4 | -65.1 | -43.1 | 0 | 0 | 0 | 113.3 | C735 S736 L758 F759 T761 C766 G793 | C735-N738 PolarHBondContact O-N 3.13Å; S736-N738 PolarHBondContact O-N 3.46Å; S736-N738 PolarHBondContact O-ND2 3.48Å; N738-L758 WeakPolarHBondContact O-CA 3.16Å; N738-L758 WeakPolarHBondContact O-CB 3.41Å; N738-L758 PolarHBondContact O-N 3.42Å; N738-F759 HydrophobicContact CB-CD2 4.24Å; N738-T761 HydrophobicContact CB-CG2 4.12Å; N738-T761 WeakPolarHBondContact CB-OG1 3.12Å; N738-C766 HydrophobicContact CB-CB 3.79Å; N738-C766 PolarHBondContact ND2-O 3.42Å; N738-G793 PolarHBondContact OD1-N 3.39Å | ||
| 739 | V | 83.7 | Confident | 82.3 | Confident | 15 Ų | 15 | 62.3 Ų | 62.3 | 9% | 0.091 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -130.7 | 164.3 | 173.3 | -61.5 | 0 | 0 | 0 | 0 | 109.5 | C735 P741 N746 R792 | C735-V739 HydrophobicContact CB-CB 4.42Å; C735-V739 HydrophobicContact CB-CG1 3.61Å; C735-V739 HydrophobicContact CB-CG2 3.93Å; V739-P741 WeakPolarHBondContact O-CD 3.13Å; V739-N746 HydrophobicContact CB-CB 4.12Å; V739-N746 HydrophobicContact CG1-CB 4.28Å; V739-N746 HydrophobicContact CG2-CB 4.08Å; V739-R792 PolarHBondContact O-NH2 2.94Å |
| 740 | D | 80.1 | Confident | 82.5 | Confident | 40 Ų | 40 | 64.6 Ų | 64.6 | 21% | 0.214 | 34% | 0.34 | C | S | . | . | trans | -85.1 | 113.5 | 171 | -170.9 | -24 | 0 | 0 | 0 | 108.9 | R742 E743 N746 L758 | D740-R742 PolarHBondContact O-N 3.19Å; D740-R742 WeakPolarHBondContact OD1-CB 3.3Å; D740-R742 IonicContact OD1-CZ 3.6Å; D740-R742 PolarHBondContact OD1-N 2.88Å; D740-R742 IonicContact OD1-NE 3.48Å; D740-R742 PolarHBondContact OD1-NE 3.5Å; D740-R742 IonicContact OD1-NH2 2.79Å; D740-R742 IonicContact OD2-CZ 3.74Å; D740-R742 IonicContact OD2-NE 3.41Å; D740-R742 PolarHBondContact OD2-NE 2.84Å; D740-R742 IonicContact OD2-NH2 2.7Å; D740-R742 PolarHBondContact OD2-NH2 3.46Å; D740-E743 HydrophobicContact CB-CB 4.33Å; D740-E743 PolarHBondContact O-N 3Å; D740-E743 VanDerWaalsContact O-N 3.1Å; D740-N746 PolarHBondContact O-ND2 3.4Å; D740-L758 HydrophobicContact CB-CD1 3.91Å | ||
| 741 | P | 71.8 | Confident | 82.4 | Confident | 88 Ų | 88 | 68.3 Ų | 68.3 | 57% | 0.571 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -16.1 | -179.1 | -20.8 | 33 | 0 | 0 | 0 | 114.3 | N719 V739 | N719-P741 PolarHBondContact ND2-O 3.19Å; V739-P741 WeakPolarHBondContact O-CD 3.13Å |
| 742 | R | 76.7 | Confident | 82.5 | Confident | 206 Ų | 206 | 62.7 Ų | 62.7 | 78% | 0.777 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.6 | -16.4 | -179.1 | -58 | 167.8 | -64.9 | 179.2 | 6.7 | 112.9 | D740 | D740-R742 PolarHBondContact O-N 3.19Å; D740-R742 WeakPolarHBondContact OD1-CB 3.3Å; D740-R742 IonicContact OD1-CZ 3.6Å; D740-R742 PolarHBondContact OD1-N 2.88Å; D740-R742 IonicContact OD1-NE 3.48Å; D740-R742 PolarHBondContact OD1-NE 3.5Å; D740-R742 IonicContact OD1-NH2 2.79Å; D740-R742 IonicContact OD2-CZ 3.74Å; D740-R742 IonicContact OD2-NE 3.41Å; D740-R742 PolarHBondContact OD2-NE 2.84Å; D740-R742 IonicContact OD2-NH2 2.7Å; D740-R742 PolarHBondContact OD2-NH2 3.46Å |
| 743 | E | 73 | Confident | 82.4 | Confident | 96 Ų | 96 | 62.3 Ų | 62.3 | 45% | 0.449 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -81.4 | 146.9 | 174.6 | -97.8 | -74.3 | 146.4 | 0 | 0 | 111 | N719 D740 N746 K756 | N719-E743 PolarHBondContact ND2-O 3.3Å; N719-E743 VanDerWaalsContact ND2-O 3.12Å; N719-E743 PolarHBondContact OD1-O 2.98Å; D740-E743 HydrophobicContact CB-CB 4.33Å; D740-E743 PolarHBondContact O-N 3Å; D740-E743 VanDerWaalsContact O-N 3.1Å; E743-N746 PolarHBondContact O-ND2 2.86Å; E743-K756 IonicContact OE2-NZ 3.91Å; E743-K756 PolarHBondContact OE2-NZ 3.22Å |
| 744 | F | 78.7 | Confident | 82.5 | Confident | 144 Ų | 144 | 61.6 Ų | 61.6 | 63% | 0.632 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -89.3 | 151.3 | 177.5 | -60.8 | -68.9 | 0 | 0 | 0 | 110.9 | E718 K756 | E718-F744 HydrophobicContact CB-CD1 3.63Å; E718-F744 HydrophobicContact CB-CE1 4.31Å; E718-F744 HydrophobicContact CG-CD1 3.6Å; E718-F744 HydrophobicContact CG-CE1 4.22Å; E718-F744 HydrophobicContact CG-CG 4.42Å; F744-K756 PolarHBondContact O-NZ 3.39Å |
| 745 | G | 76.8 | Confident | 82.3 | Confident | 24 Ų | 24 | 62.1 Ų | 62.1 | 25% | 0.247 | 33% | 0.326 | C | S | . | . | trans | 65.3 | 39.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | C747 | G745-C747 VanDerWaalsContact C-N 3.32Š| ||
| 746 | N | 83.8 | Confident | 82.1 | Confident | 4 Ų | 4 | 66.1 Ų | 66.1 | 2% | 0.021 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -67.6 | -31.1 | 176.9 | -72.2 | -47.8 | 0 | 0 | 0 | 113.2 | N719 V739 D740 E743 C754 L755 K756 | N719-N746 VanDerWaalsContact OD1-CB 3.32Å; N719-N746 WeakPolarHBondContact OD1-CB 3.37Å; N719-N746 PolarHBondContact OD1-N 2.81Å; N719-N746 PolarHBondContact OD1-ND2 2.63Å; V739-N746 HydrophobicContact CB-CB 4.12Å; V739-N746 HydrophobicContact CG1-CB 4.28Å; V739-N746 HydrophobicContact CG2-CB 4.08Å; D740-N746 PolarHBondContact O-ND2 3.4Å; E743-N746 PolarHBondContact O-ND2 2.86Å; N746-C754 CarbonylContact O-C 3.56Å; N746-C754 WeakPolarHBondContact O-CA 3.37Å; N746-L755 PolarHBondContact O-N 2.83Å; N746-K756 PolarHBondContact O-N 3.24Å |
| 747 | C | 86.9 | Confident | 82 | Confident | 8 Ų | 8 | 65.6 Ų | 65.6 | 5% | 0.054 | 34% | 0.339 | C | S | . | . | B | Isolated β-bridge | trans | -131.8 | 157.7 | 172.7 | 87.3 | 0 | 0 | 0 | 0 | 111.7 | C733 G745 G749 E753 | C733-C747 HydrophobicContact CB-CB 3.71Å; C733-C747 WeakPolarHBondContact CB-SG 3.29Å; C733-C747 WeakPolarHBondContact SG-CB 3.37Å; C733-C747 CovalentContact SG-SG 2.01Å; C733-C747 PolarHBondContact SG-SG 2.68Å; G745-C747 VanDerWaalsContact C-N 3.32Å; C747-G749 PolarHBondContact O-N 2.92Å; C747-E753 CarbonylContact C-O 3.54Å; C747-E753 VanDerWaalsContact CA-O 3.23Å; C747-E753 WeakPolarHBondContact CA-O 3.27Å; C747-E753 WeakPolarHBondContact CB-O 3.42Å |
| 748 | D | 85.4 | Confident | 82.1 | Confident | 59 Ų | 59 | 64.4 Ų | 64.4 | 32% | 0.316 | 33% | 0.332 | S | S | . | . | trans | -62.7 | 124 | 173.9 | 179 | -80.9 | 0 | 0 | 0 | 110.1 | Y721 K750 T751 G752 E753 L755 | Y721-D748 WeakPolarHBondContact CB-O 3.39Å; D748-K750 PolarHBondContact O-N 2.97Å; D748-K750 WeakPolarHBondContact OD1-CA 3.42Å; D748-K750 PolarHBondContact OD1-N 3.36Å; D748-T751 WeakPolarHBondContact CB-OG1 3.38Å; D748-T751 PolarHBondContact OD1-N 2.91Å; D748-T751 PolarHBondContact OD1-OG1 3.29Å; D748-G752 WeakPolarHBondContact O-CA 3.46Å; D748-G752 PolarHBondContact O-N 3.19Å; D748-E753 PolarHBondContact N-O 2.74Å; D748-L755 HydrophobicContact CB-CD1 4.26Å; D748-L755 HydrophobicContact CB-CD2 4.38Å; D748-L755 HydrophobicContact CB-CG 4.4Å | ||
| 749 | G | 80.4 | Confident | 81.9 | Confident | 35 Ų | 35 | 68.5 Ų | 68.5 | 36% | 0.361 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -5.8 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y721 G722 C747 | Y721-G749 CarbonylContact C-O 3.51Å; Y721-G749 VanDerWaalsContact CA-O 3.26Å; Y721-G749 WeakPolarHBondContact CA-O 3.4Å; G722-G749 PolarHBondContact N-O 3.2Å; C747-G749 PolarHBondContact O-N 2.92Å |
| 750 | K | 82.2 | Confident | 81.6 | Confident | 128 Ų | 128 | 68.5 Ų | 68.5 | 56% | 0.557 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.9 | -43.4 | 174.7 | -69.5 | -164.6 | 174.6 | -147.9 | 0 | 113.3 | D723 D748 | D723-K750 IonicContact OD1-NZ 2.86Å; D723-K750 IonicContact OD2-NZ 2.78Å; D723-K750 PolarHBondContact OD2-NZ 3.49Å; D748-K750 PolarHBondContact O-N 2.97Å; D748-K750 WeakPolarHBondContact OD1-CA 3.42Å; D748-K750 PolarHBondContact OD1-N 3.36Å |
| 751 | T | 85.4 | Confident | 81.9 | Confident | 89 Ų | 89 | 66.8 Ų | 66.8 | 55% | 0.546 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | -24.2 | -175.1 | 68.4 | 0 | 0 | 0 | 0 | 113 | D748 E753 | D748-T751 WeakPolarHBondContact CB-OG1 3.38Å; D748-T751 PolarHBondContact OD1-N 2.91Å; D748-T751 PolarHBondContact OD1-OG1 3.29Å; T751-E753 WeakPolarHBondContact OG1-CB 3.27Å; T751-E753 PolarHBondContact OG1-N 3.3Å |
| 752 | G | 85.6 | Confident | 82.5 | Confident | 1 Ų | 1 | 64.1 Ų | 64.1 | 1% | 0.01 | 33% | 0.326 | C | S | . | . | trans | 78.5 | 5.1 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y721 D748 C754 | Y721-G752 VanDerWaalsContact CB-CA 3.46Å; Y721-G752 VanDerWaalsContact CD2-CA 3.5Å; D748-G752 WeakPolarHBondContact O-CA 3.46Å; D748-G752 PolarHBondContact O-N 3.19Å; G752-C754 PolarHBondContact O-N 2.82Å | ||
| 753 | E | 85.3 | Confident | 82.8 | Confident | 78 Ų | 78 | 55.8 Ų | 55.8 | 36% | 0.364 | 31% | 0.305 | S | S | . | . | trans | -73.8 | 124.6 | 179.8 | -171.9 | 165.1 | 169.5 | 0 | 0 | 110.4 | C747 D748 T751 L755 K764 | C747-E753 CarbonylContact C-O 3.54Å; C747-E753 VanDerWaalsContact CA-O 3.23Å; C747-E753 WeakPolarHBondContact CA-O 3.27Å; C747-E753 WeakPolarHBondContact CB-O 3.42Å; D748-E753 PolarHBondContact N-O 2.74Å; T751-E753 WeakPolarHBondContact OG1-CB 3.27Å; T751-E753 PolarHBondContact OG1-N 3.3Å; E753-L755 PolarHBondContact O-N 3.07Å; E753-K764 HydrophobicContact CG-CB 4Å; E753-K764 HydrophobicContact CG-CD 4.42Å; E753-K764 HydrophobicContact CG-CG 4Å; E753-K764 IonicContact OE2-NZ 3.96Å | ||
| 754 | C | 88.4 | Confident | 83.4 | Confident | 11 Ų | 11 | 57 Ų | 57 | 7% | 0.074 | 31% | 0.309 | C | S | . | . | B | Isolated β-bridge | trans | -69.3 | 122.6 | -177.2 | -57.2 | 0 | 0 | 0 | 0 | 110.9 | D734 C735 N746 G752 K764 C766 | D734-C754 PolarHBondContact O-SG 3.35Å; D734-C754 VanDerWaalsContact O-SG 3.42Å; C735-C754 WeakPolarHBondContact CA-SG 3.43Å; C735-C754 HydrophobicContact CB-CB 3.97Å; C735-C754 WeakPolarHBondContact CB-SG 3.04Å; C735-C754 WeakPolarHBondContact SG-CB 3.33Å; C735-C754 CovalentContact SG-SG 2.03Å; C735-C754 PolarHBondContact SG-SG 3.19Å; N746-C754 CarbonylContact O-C 3.56Å; N746-C754 WeakPolarHBondContact O-CA 3.37Å; G752-C754 PolarHBondContact O-N 2.82Å; C754-K764 PolarHBondContact N-O 3.02Å; C754-K764 PolarHBondContact SG-O 3.09Å; C754-C766 WeakPolarHBondContact CB-SG 3.4Å |
| 755 | L | 82.6 | Confident | 83.8 | Confident | 113 Ų | 113 | 53.7 Ų | 53.7 | 59% | 0.592 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -95 | -23.7 | -174.7 | -59.2 | 178.1 | 0 | 0 | 0 | 112.8 | N746 D748 E753 | N746-L755 PolarHBondContact O-N 2.83Å; D748-L755 HydrophobicContact CB-CD1 4.26Å; D748-L755 HydrophobicContact CB-CD2 4.38Å; D748-L755 HydrophobicContact CB-CG 4.4Å; E753-L755 PolarHBondContact O-N 3.07Å |
| 756 | K | 82.5 | Confident | 84.3 | Confident | 90 Ų | 90 | 52.5 Ų | 52.5 | 39% | 0.391 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -126.3 | 57 | -172.2 | -64.4 | -178.8 | 176.6 | 174.9 | 0 | 112.9 | E743 F744 N746 L758 | E743-K756 IonicContact OE2-NZ 3.91Å; E743-K756 PolarHBondContact OE2-NZ 3.22Å; F744-K756 PolarHBondContact O-NZ 3.39Å; N746-K756 PolarHBondContact O-N 3.24Å; K756-L758 PolarHBondContact O-N 3.02Å |
| 757 | C | 84.3 | Confident | 84.3 | Confident | 38 Ų | 38 | 55.3 Ų | 55.3 | 26% | 0.257 | 30% | 0.296 | S | S | . | . | trans | -60.6 | 133.2 | 176.7 | -61.4 | 0 | 0 | 0 | 0 | 112 | T761 C766 | C757-T761 VanDerWaalsContact CB-O 3.23Å; C757-T761 WeakPolarHBondContact CB-O 3.46Å; C757-C766 WeakPolarHBondContact CA-SG 3.36Å; C757-C766 HydrophobicContact CB-CB 3.75Å; C757-C766 WeakPolarHBondContact CB-SG 3.19Å; C757-C766 WeakPolarHBondContact SG-CA 3.14Å; C757-C766 WeakPolarHBondContact SG-CB 3.4Å; C757-C766 CovalentContact SG-SG 2.04Å; C757-C766 PolarHBondContact SG-SG 2.04Å | ||
| 758 | L | 82.8 | Confident | 84.2 | Confident | 73 Ų | 73 | 60 Ų | 60 | 38% | 0.382 | 32% | 0.317 | S | S | . | . | trans | -112.4 | 179.5 | 177.2 | -63.1 | 179.2 | 0 | 0 | 0 | 110.9 | N738 D740 K756 G760 T761 | N738-L758 WeakPolarHBondContact O-CA 3.16Å; N738-L758 WeakPolarHBondContact O-CB 3.41Å; N738-L758 PolarHBondContact O-N 3.42Å; D740-L758 HydrophobicContact CB-CD1 3.91Å; K756-L758 PolarHBondContact O-N 3.02Å; L758-G760 VanDerWaalsContact C-N 3.26Å; L758-G760 PolarHBondContact O-N 3Å; L758-T761 PolarHBondContact O-N 3.47Å; L758-T761 PolarHBondContact O-OG1 2.97Å | ||
| 759 | F | 83.6 | Confident | 84 | Confident | 99 Ų | 99 | 58 Ų | 58 | 43% | 0.434 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.9 | 36.2 | 176.2 | -43.4 | -67.4 | 0 | 0 | 0 | 113.9 | N738 T761 C794 | N738-F759 HydrophobicContact CB-CD2 4.24Å; F759-T761 VanDerWaalsContact C-N 3.31Å; F759-T761 PolarHBondContact O-N 3.24Å; F759-C794 PolarHBondContact O-N 2.94Å |
| 760 | G | 76.9 | Confident | 83.9 | Confident | 14 Ų | 14 | 59.9 Ų | 59.9 | 14% | 0.144 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 70.2 | 23.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | L758 L770 | L758-G760 VanDerWaalsContact C-N 3.26Å; L758-G760 PolarHBondContact O-N 3Å; G760-L770 PolarHBondContact O-N 3.09Å |
| 761 | T | 86.8 | Confident | 83.5 | Confident | 5 Ų | 5 | 57.5 Ų | 57.5 | 3% | 0.031 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 161.6 | -177.3 | 61.3 | 0 | 0 | 0 | 0 | 112.7 | N738 C757 L758 F759 C766 Q768 C794 | N738-T761 HydrophobicContact CB-CG2 4.12Å; N738-T761 WeakPolarHBondContact CB-OG1 3.12Å; C757-T761 VanDerWaalsContact CB-O 3.23Å; C757-T761 WeakPolarHBondContact CB-O 3.46Å; L758-T761 PolarHBondContact O-N 3.47Å; L758-T761 PolarHBondContact O-OG1 2.97Å; F759-T761 VanDerWaalsContact C-N 3.31Å; F759-T761 PolarHBondContact O-N 3.24Å; T761-C766 WeakPolarHBondContact CB-O 3.42Å; T761-C766 WeakPolarHBondContact OG1-CB 3.13Å; T761-Q768 CarbonylContact C-O 3.57Å; T761-Q768 WeakPolarHBondContact CA-O 3.42Å; T761-Q768 WeakPolarHBondContact CB-O 3.26Å; T761-C794 HydrophobicContact CG2-CB 4.41Å; T761-C794 VanDerWaalsContact CG2-SG 3.57Å |
| 762 | S | 84.1 | Confident | 82.9 | Confident | 31 Ų | 31 | 54.1 Ų | 54.1 | 22% | 0.217 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | -179.6 | -177.8 | 67.2 | 0 | 0 | 0 | 0 | 110.5 | C766 E767 Q768 C769 | S762-C766 CarbonylContact O-C 3.59Å; S762-C766 VanDerWaalsContact O-CA 3.32Å; S762-C766 WeakPolarHBondContact O-CA 3.19Å; S762-E767 PolarHBondContact O-N 3.26Å; S762-Q768 PolarHBondContact N-O 3.46Å; S762-Q768 WeakPolarHBondContact O-CA 3.5Å; S762-Q768 WeakPolarHBondContact O-CB 3.48Å; S762-Q768 PolarHBondContact O-N 3Å; S762-Q768 VanDerWaalsContact O-O 3.12Å; S762-C769 PolarHBondContact OG-O 2.84Å |
| 763 | G | 84 | Confident | 82.8 | Confident | 31 Ų | 31 | 58 Ų | 58 | 32% | 0.32 | 31% | 0.306 | S | S | . | . | S | Bend | trans | 93.9 | 168.4 | -169.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | H765 C766 | G763-H765 PolarHBondContact O-N 2.99Å; G763-H765 VanDerWaalsContact O-N 3.17Å; G763-C766 PolarHBondContact O-N 2.67Å |
| 764 | K | 85.8 | Confident | 82.6 | Confident | 123 Ų | 123 | 57.6 Ų | 57.6 | 54% | 0.535 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -22.2 | -173.2 | -66.4 | -165.6 | 168.9 | -169.9 | 0 | 113.3 | E753 C754 E767 | E753-K764 HydrophobicContact CG-CB 4Å; E753-K764 HydrophobicContact CG-CD 4.42Å; E753-K764 HydrophobicContact CG-CG 4Å; E753-K764 IonicContact OE2-NZ 3.96Å; C754-K764 PolarHBondContact N-O 3.02Å; C754-K764 PolarHBondContact SG-O 3.09Å; K764-E767 PolarHBondContact N-OE2 2.84Å |
| 765 | H | 85.6 | Confident | 82.3 | Confident | 73 Ų | 73 | 60.2 Ų | 60.2 | 34% | 0.338 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124 | 21.2 | -179.6 | -61.2 | -70.1 | 0 | 0 | 0 | 111.6 | D734 C735 S736 G763 E767 | D734-H765 WeakPolarHBondContact O-CB 3.35Å; D734-H765 PolarHBondContact O-ND1 2.76Å; C735-H765 CarbonylContact C-O 3.35Å; C735-H765 VanDerWaalsContact CA-O 3.24Å; C735-H765 WeakPolarHBondContact CA-O 3.33Å; S736-H765 WeakPolarHBondContact CB-O 3.2Å; S736-H765 PolarHBondContact N-O 3.17Å; S736-H765 PolarHBondContact OG-O 2.83Å; G763-H765 PolarHBondContact O-N 2.99Å; G763-H765 VanDerWaalsContact O-N 3.17Å; H765-E767 VanDerWaalsContact CA-OE2 3.24Å; H765-E767 WeakPolarHBondContact CA-OE2 3.43Å; H765-E767 WeakPolarHBondContact CB-OE2 3.46Å; H765-E767 PolarHBondContact N-OE2 2.8Å; H765-E767 PolarHBondContact O-N 3.49Å; H765-E767 VanDerWaalsContact O-N 3.09Å |
| 766 | C | 88.4 | Confident | 82.2 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 29% | 0.29 | C | S | . | . | S | Bend | trans | 51.3 | 32.6 | -175.6 | -49 | 0 | 0 | 0 | 0 | 113 | C735 N738 C754 C757 T761 S762 G763 | C735-C766 HydrophobicContact CB-CB 4.48Å; N738-C766 HydrophobicContact CB-CB 3.79Å; N738-C766 PolarHBondContact ND2-O 3.42Å; C754-C766 WeakPolarHBondContact CB-SG 3.4Å; C757-C766 WeakPolarHBondContact CA-SG 3.36Å; C757-C766 HydrophobicContact CB-CB 3.75Å; C757-C766 WeakPolarHBondContact CB-SG 3.19Å; C757-C766 WeakPolarHBondContact SG-CA 3.14Å; C757-C766 WeakPolarHBondContact SG-CB 3.4Å; C757-C766 CovalentContact SG-SG 2.04Å; C757-C766 PolarHBondContact SG-SG 2.04Å; T761-C766 WeakPolarHBondContact CB-O 3.42Å; T761-C766 WeakPolarHBondContact OG1-CB 3.13Å; S762-C766 CarbonylContact O-C 3.59Å; S762-C766 VanDerWaalsContact O-CA 3.32Å; S762-C766 WeakPolarHBondContact O-CA 3.19Å; G763-C766 PolarHBondContact O-N 2.67Å |
| 767 | E | 83.2 | Confident | 81.8 | Confident | 63 Ų | 63 | 56 Ų | 56 | 29% | 0.294 | 29% | 0.292 | S | S | . | . | trans | -88.2 | -19.3 | -172.5 | 75.1 | -72.5 | 177.5 | 0 | 0 | 113.1 | S762 K764 H765 R775 | S762-E767 PolarHBondContact O-N 3.26Å; K764-E767 PolarHBondContact N-OE2 2.84Å; H765-E767 VanDerWaalsContact CA-OE2 3.24Å; H765-E767 WeakPolarHBondContact CA-OE2 3.43Å; H765-E767 WeakPolarHBondContact CB-OE2 3.46Å; H765-E767 PolarHBondContact N-OE2 2.8Å; H765-E767 PolarHBondContact O-N 3.49Å; H765-E767 VanDerWaalsContact O-N 3.09Å; E767-R775 PolarHBondContact O-NH1 3.45Å | ||
| 768 | Q | 84.8 | Confident | 80.9 | Confident | 106 Ų | 106 | 61 Ų | 61 | 50% | 0.495 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 147.6 | -175.7 | -49.4 | -178.8 | 12.3 | 0 | 0 | 109.5 | T761 S762 | T761-Q768 CarbonylContact C-O 3.57Å; T761-Q768 WeakPolarHBondContact CA-O 3.42Å; T761-Q768 WeakPolarHBondContact CB-O 3.26Å; S762-Q768 PolarHBondContact N-O 3.46Å; S762-Q768 WeakPolarHBondContact O-CA 3.5Å; S762-Q768 WeakPolarHBondContact O-CB 3.48Å; S762-Q768 PolarHBondContact O-N 3Å; S762-Q768 VanDerWaalsContact O-O 3.12Å |
| 769 | C | 82.6 | Confident | 79.9 | Confident | 17 Ų | 17 | 60.6 Ų | 60.6 | 12% | 0.115 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 143.5 | 167.5 | -62.4 | 0 | 0 | 0 | 0 | 109.7 | S762 Y773 R774 C794 | S762-C769 PolarHBondContact OG-O 2.84Å; C769-Y773 WeakPolarHBondContact CB-O 3Å; C769-R774 VanDerWaalsContact SG-C 3.57Å; C769-C794 WeakPolarHBondContact CA-SG 3.06Å; C769-C794 HydrophobicContact CB-CB 3.72Å; C769-C794 WeakPolarHBondContact CB-SG 3.35Å; C769-C794 WeakPolarHBondContact SG-CB 3.3Å; C769-C794 CovalentContact SG-SG 2.04Å; C769-C794 PolarHBondContact SG-SG 3.37Å |
| 770 | L | 77.3 | Confident | 78.8 | Confident | 74 Ų | 74 | 60.2 Ų | 60.2 | 39% | 0.387 | 31% | 0.312 | S | S | . | . | P | Polyproline II helix | trans | -57.2 | 149.9 | 168.8 | -78.6 | 162.7 | 0 | 0 | 0 | 110 | G760 G772 Y773 | G760-L770 PolarHBondContact O-N 3.09Å; L770-G772 PolarHBondContact O-N 3.25Å; L770-Y773 HydrophobicContact CB-CD2 3.71Å; L770-Y773 HydrophobicContact CB-CE2 4.25Å; L770-Y773 HydrophobicContact CB-CG 4.23Å; L770-Y773 VanDerWaalsContact O-CB 3.32Å; L770-Y773 WeakPolarHBondContact O-CB 3.15Å; L770-Y773 PolarHBondContact O-N 3.41Å |
| 771 | S | 74.5 | Confident | 77.6 | Confident | 79 Ų | 79 | 64.7 Ų | 64.7 | 55% | 0.552 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | 128.3 | 172.6 | -67.4 | 0 | 0 | 0 | 0 | 110.2 | Q811 | S771-Q811 PolarHBondContact OG-OE1 2.86Š|
| 772 | G | 72.9 | Confident | 76.2 | Confident | 17 Ų | 17 | 73.1 Ų | 73.1 | 18% | 0.175 | 38% | 0.375 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 83.9 | 13.6 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | L770 P796 C797 G814 | L770-G772 PolarHBondContact O-N 3.25Å; G772-P796 CarbonylContact O-C 3.49Å; G772-C797 WeakPolarHBondContact O-CB 3.2Å; G772-C797 PolarHBondContact O-N 2.8Å; G772-C797 PolarHBondContact O-SG 2.96Å; G772-G814 WeakPolarHBondContact CA-O 3.35Å |
| 773 | Y | 81.9 | Confident | 74.6 | Confident | 82 Ų | 82 | 76.4 Ų | 76.4 | 32% | 0.322 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 148.3 | 171.1 | -69.9 | -113.1 | 0 | 0 | 0 | 110.7 | C769 L770 C794 S795 P796 | C769-Y773 WeakPolarHBondContact CB-O 3Å; L770-Y773 HydrophobicContact CB-CD2 3.71Å; L770-Y773 HydrophobicContact CB-CE2 4.25Å; L770-Y773 HydrophobicContact CB-CG 4.23Å; L770-Y773 VanDerWaalsContact O-CB 3.32Å; L770-Y773 WeakPolarHBondContact O-CB 3.15Å; L770-Y773 PolarHBondContact O-N 3.41Å; Y773-C794 HydrophobicContact CD1-CB 4.48Å; Y773-S795 CarbonylContact C-O 3.58Å; Y773-S795 VanDerWaalsContact CA-O 3.27Å; Y773-S795 WeakPolarHBondContact CA-O 3.35Å; Y773-S795 VanDerWaalsContact CD1-C 3.5Å; Y773-P796 HydrophobicContact CD1-CB 4.18Å; Y773-P796 VanDerWaalsContact CD1-N 3.33Å; Y773-P796 HydrophobicContact CE1-CB 3.93Å; Y773-P796 HydrophobicContact CE1-CG 4.3Å |
| 774 | R | 82.8 | Confident | 72.7 | Confident | 71 Ų | 71 | 80 Ų | 80 | 27% | 0.268 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 154.9 | 178 | 60.9 | 168.3 | -177.6 | 74.9 | 2 | 112.1 | C769 C794 S795 P818 | C769-R774 VanDerWaalsContact SG-C 3.57Å; R774-C794 CarbonylContact O-C 3.55Å; R774-C794 WeakPolarHBondContact O-CA 3.06Å; R774-C794 VanDerWaalsContact O-CB 3.3Å; R774-C794 WeakPolarHBondContact O-CB 3.16Å; R774-S795 WeakPolarHBondContact CG-O 3.48Å; R774-S795 PolarHBondContact N-O 2.78Å; R774-S795 PolarHBondContact O-N 3.27Å; R774-P818 WeakPolarHBondContact CA-O 3.42Å |
| 775 | R | 81.4 | Confident | 71 | Confident | 66 Ų | 66 | 80.8 Ų | 80.8 | 25% | 0.249 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 140.3 | 178.3 | -152.5 | 175.2 | -65.5 | -78.6 | 1.7 | 111.7 | E767 P818 E819 | E767-R775 PolarHBondContact O-NH1 3.45Å; R775-P818 PolarHBondContact N-O 3.44Å; R775-E819 IonicContact CZ-OE1 2.72Å; R775-E819 IonicContact CZ-OE2 3.15Å; R775-E819 IonicContact NE-OE1 3.03Å; R775-E819 PolarHBondContact NE-OE1 2.7Å; R775-E819 IonicContact NE-OE2 2.65Å; R775-E819 PolarHBondContact NE-OE2 2.72Å; R775-E819 IonicContact NH2-OE1 3.81Å; R775-E819 PolarHBondContact NH2-OE1 3.39Å; R775-E819 IonicContact NH2-OE2 2.68Å |
| 776 | N | 79.4 | Confident | 69.4 | Low | 36 Ų | 36 | 82.4 Ų | 82.4 | 19% | 0.193 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 138.9 | 173.7 | -68.1 | -23.8 | 0 | 0 | 0 | 110.2 | A791 R792 G793 S795 | N776-A791 HydrophobicContact CB-CB 3.95Å; N776-A791 PolarHBondContact O-N 3.4Å; N776-R792 PolarHBondContact ND2-O 3.38Å; N776-G793 PolarHBondContact N-O 3.05Å; N776-G793 PolarHBondContact ND2-O 3.45Å; N776-S795 WeakPolarHBondContact OD1-CB 3.18Å; N776-S795 PolarHBondContact OD1-N 3.44Å; N776-S795 PolarHBondContact OD1-OG 2.91Å |
| 777 | L | 75.3 | Confident | 67.7 | Low | 79 Ų | 79 | 87.2 Ų | 87.2 | 41% | 0.414 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 140 | -177.1 | -70.9 | 171.8 | 0 | 0 | 0 | 110.7 | L788 I789 | L777-L788 HydrophobicContact CB-CB 4.09Å; L777-L788 HydrophobicContact CB-CD1 4.49Å; L777-L788 HydrophobicContact CB-CD2 4.15Å; L777-L788 HydrophobicContact CB-CG 4.48Å; L777-L788 HydrophobicContact CD1-CB 4.24Å; L777-L788 HydrophobicContact CD1-CD1 4.06Å; L777-L788 HydrophobicContact CD2-CB 4.19Å; L777-L788 HydrophobicContact CG-CB 4.41Å; L777-I789 CarbonylContact C-O 3.27Å; L777-I789 WeakPolarHBondContact CA-O 3.06Å |
| 778 | K | 65 | Low | 66.5 | Low | 143 Ų | 143 | 88 Ų | 88 | 62% | 0.622 | 47% | 0.471 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 133.8 | 178.9 | -171.4 | -179.9 | 179.9 | -176.7 | 0 | 110.5 | I789 A791 | K778-I789 PolarHBondContact N-O 3.24Å; K778-I789 PolarHBondContact O-N 2.97Å; K778-A791 HydrophobicContact CB-CB 4.37Å |
| 779 | P | 61.7 | Low | 65.5 | Low | 63 Ų | 63 | 87.3 Ų | 87.3 | 41% | 0.409 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 141 | 178.5 | 24.3 | -30 | 0 | 0 | 0 | 112.2 | L788 | P779-L788 HydrophobicContact CB-CD2 4.34Å |
| 780 | I | 60.8 | Low | 64.7 | Low | 91 Ų | 91 | 90.7 Ų | 90.7 | 47% | 0.467 | 49% | 0.491 | S | S | . | . | S | Bend | trans | -71.9 | -43.3 | 177.7 | -73.9 | 161.7 | 0 | 0 | 0 | 111.5 | D787 I789 | I780-D787 HydrophobicContact CD1-CB 3.72Å; I780-D787 PolarHBondContact N-O 3.34Å; I780-I789 HydrophobicContact CD1-CD1 4.21Å; I780-I789 HydrophobicContact CD1-CG1 3.74Å; I780-I789 HydrophobicContact CG1-CD1 3.43Å; I780-I789 VanDerWaalsContact CG1-CD1 3.43Å; I780-I789 HydrophobicContact CG1-CG1 3.25Å |
| 781 | N | 50.8 | Low | 64.4 | Low | 109 Ų | 109 | 89.1 Ų | 89.1 | 58% | 0.583 | 49% | 0.489 | S | S | * | . | S | Bend | trans | -143.1 | 148.8 | 178.6 | -86.8 | -47.9 | 0 | 0 | 0 | 110 | S783 | N781-S783 PolarHBondContact O-N 2.99Š|
| 782 | I | 57.5 | Low | 64.7 | Low | 181 Ų | 181 | 91.1 Ų | 91.1 | 93% | 0.928 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -19.4 | -174.6 | -69.4 | 163.5 | 0 | 0 | 0 | 112.6 | ||
| 783 | S | 51.9 | Low | 65 | Low | 101 Ų | 101 | 90.6 Ų | 90.6 | 71% | 0.706 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | -18.5 | -174.4 | 54.1 | 0 | 0 | 0 | 0 | 115.6 | N781 | N781-S783 PolarHBondContact O-N 2.99Š|
| 784 | D | 44 | Very low | 65.2 | Low | 105 Ų | 105 | 87.2 Ų | 87.2 | 56% | 0.561 | 47% | 0.467 | S | S | * | . | trans | -134.2 | 100.1 | -176.7 | -82.3 | -52 | 0 | 0 | 0 | 111.2 | S786 | D784-S786 PolarHBondContact O-N 3.12Å; D784-S786 VanDerWaalsContact O-N 3.14Å | ||
| 785 | L | 50.2 | Low | 65.2 | Low | 141 Ų | 141 | 85.5 Ų | 85.5 | 74% | 0.738 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -4.1 | -176.4 | -160.5 | 70 | 0 | 0 | 0 | 113.8 | ||
| 786 | S | 51.1 | Low | 65 | Low | 106 Ų | 106 | 85.5 Ų | 85.5 | 74% | 0.741 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | -18.6 | -172.6 | -52.5 | 0 | 0 | 0 | 0 | 113.8 | D784 | D784-S786 PolarHBondContact O-N 3.12Å; D784-S786 VanDerWaalsContact O-N 3.14Å |
| 787 | D | 51.6 | Low | 64.8 | Low | 102 Ų | 102 | 84.7 Ų | 84.7 | 55% | 0.545 | 47% | 0.471 | S | S | . | . | trans | -112.3 | 95.7 | -176.9 | -66 | -31.9 | 0 | 0 | 0 | 111.1 | I780 | I780-D787 HydrophobicContact CD1-CB 3.72Å; I780-D787 PolarHBondContact N-O 3.34Å | ||
| 788 | L | 58 | Low | 65 | Low | 80 Ų | 80 | 87.2 Ų | 87.2 | 42% | 0.419 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 133.1 | -176.8 | -73.2 | 161.5 | 0 | 0 | 0 | 111.2 | L777 P779 | L777-L788 HydrophobicContact CB-CB 4.09Å; L777-L788 HydrophobicContact CB-CD1 4.49Å; L777-L788 HydrophobicContact CB-CD2 4.15Å; L777-L788 HydrophobicContact CB-CG 4.48Å; L777-L788 HydrophobicContact CD1-CB 4.24Å; L777-L788 HydrophobicContact CD1-CD1 4.06Å; L777-L788 HydrophobicContact CD2-CB 4.19Å; L777-L788 HydrophobicContact CG-CB 4.41Å; P779-L788 HydrophobicContact CB-CD2 4.34Å |
| 789 | I | 65.5 | Low | 65.6 | Low | 90 Ų | 90 | 81.2 Ų | 81.2 | 46% | 0.462 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 141.3 | 176.5 | -22.7 | 173.4 | 0 | 0 | 0 | 110.3 | L777 K778 I780 A791 | L777-I789 CarbonylContact C-O 3.27Å; L777-I789 WeakPolarHBondContact CA-O 3.06Å; K778-I789 PolarHBondContact N-O 3.24Å; K778-I789 PolarHBondContact O-N 2.97Å; I780-I789 HydrophobicContact CD1-CD1 4.21Å; I780-I789 HydrophobicContact CD1-CG1 3.74Å; I780-I789 HydrophobicContact CG1-CD1 3.43Å; I780-I789 VanDerWaalsContact CG1-CD1 3.43Å; I780-I789 HydrophobicContact CG1-CG1 3.25Å; I789-A791 PolarHBondContact O-N 3.04Å |
| 790 | P | 64.8 | Low | 66.5 | Low | 89 Ų | 89 | 80.3 Ų | 80.3 | 58% | 0.578 | 45% | 0.449 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -56.3 | 129.3 | 172.5 | -27.1 | 35.4 | 0 | 0 | 0 | 113.5 | ||
| 791 | A | 71.1 | Confident | 67.1 | Low | 41 Ų | 41 | 80.2 Ų | 80.2 | 34% | 0.339 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 166.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | N776 K778 I789 | N776-A791 HydrophobicContact CB-CB 3.95Å; N776-A791 PolarHBondContact O-N 3.4Å; K778-A791 HydrophobicContact CB-CB 4.37Å; I789-A791 PolarHBondContact O-N 3.04Å |
| 792 | R | 80.7 | Confident | 68.5 | Low | 121 Ų | 121 | 78.3 Ų | 78.3 | 46% | 0.457 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 137.9 | -177.1 | -172.5 | 178.9 | -179.8 | 174 | 0.6 | 111.8 | N737 V739 N776 | N737-R792 PolarHBondContact O-NE 3.31Å; N737-R792 PolarHBondContact O-NH2 2.96Å; N737-R792 PolarHBondContact OD1-NH2 2.98Å; V739-R792 PolarHBondContact O-NH2 2.94Å; N776-R792 PolarHBondContact ND2-O 3.38Å |
| 793 | G | 80.1 | Confident | 69.6 | Low | 6 Ų | 6 | 69.8 Ų | 69.8 | 6% | 0.062 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 73.9 | -177 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | N738 N776 | N738-G793 PolarHBondContact OD1-N 3.39Å; N776-G793 PolarHBondContact N-O 3.05Å; N776-G793 PolarHBondContact ND2-O 3.45Å |
| 794 | C | 85.6 | Confident | 71.1 | Confident | 11 Ų | 11 | 65.1 Ų | 65.1 | 7% | 0.074 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 150.2 | 176.8 | -55.3 | 0 | 0 | 0 | 0 | 110.3 | F759 T761 C769 Y773 R774 | F759-C794 PolarHBondContact O-N 2.94Å; T761-C794 HydrophobicContact CG2-CB 4.41Å; T761-C794 VanDerWaalsContact CG2-SG 3.57Å; C769-C794 WeakPolarHBondContact CA-SG 3.06Å; C769-C794 HydrophobicContact CB-CB 3.72Å; C769-C794 WeakPolarHBondContact CB-SG 3.35Å; C769-C794 WeakPolarHBondContact SG-CB 3.3Å; C769-C794 CovalentContact SG-SG 2.04Å; C769-C794 PolarHBondContact SG-SG 3.37Å; Y773-C794 HydrophobicContact CD1-CB 4.48Å; R774-C794 CarbonylContact O-C 3.55Å; R774-C794 WeakPolarHBondContact O-CA 3.06Å; R774-C794 VanDerWaalsContact O-CB 3.3Å; R774-C794 WeakPolarHBondContact O-CB 3.16Å |
| 795 | S | 81.7 | Confident | 72.5 | Confident | 35 Ų | 35 | 63.1 Ų | 63.1 | 25% | 0.245 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 145.8 | 173.5 | -67.7 | 0 | 0 | 0 | 0 | 109.9 | Y773 R774 N776 | Y773-S795 CarbonylContact C-O 3.58Å; Y773-S795 VanDerWaalsContact CA-O 3.27Å; Y773-S795 WeakPolarHBondContact CA-O 3.35Å; Y773-S795 VanDerWaalsContact CD1-C 3.5Å; R774-S795 WeakPolarHBondContact CG-O 3.48Å; R774-S795 PolarHBondContact N-O 2.78Å; R774-S795 PolarHBondContact O-N 3.27Å; N776-S795 WeakPolarHBondContact OD1-CB 3.18Å; N776-S795 PolarHBondContact OD1-N 3.44Å; N776-S795 PolarHBondContact OD1-OG 2.91Å |
| 796 | P | 78.1 | Confident | 73 | Confident | 66 Ų | 66 | 59.1 Ų | 59.1 | 43% | 0.429 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.6 | 142.9 | 175.2 | 23.4 | -31.7 | 0 | 0 | 0 | 110.7 | G772 Y773 E798 | G772-P796 CarbonylContact O-C 3.49Å; Y773-P796 HydrophobicContact CD1-CB 4.18Å; Y773-P796 VanDerWaalsContact CD1-N 3.33Å; Y773-P796 HydrophobicContact CE1-CB 3.93Å; Y773-P796 HydrophobicContact CE1-CG 4.3Å; P796-E798 PolarHBondContact O-N 3.33Å |
| 797 | C | 75.7 | Confident | 73.4 | Confident | 18 Ų | 18 | 61.8 Ų | 61.8 | 12% | 0.122 | 35% | 0.349 | C | S | . | . | trans | -65.2 | 112.7 | 170.2 | -60.8 | 0 | 0 | 0 | 0 | 107.7 | G772 C799 G814 C816 | G772-C797 WeakPolarHBondContact O-CB 3.2Å; G772-C797 PolarHBondContact O-N 2.8Å; G772-C797 PolarHBondContact O-SG 2.96Å; C797-C799 PolarHBondContact O-N 3.1Å; C797-G814 WeakPolarHBondContact CB-O 3.3Å; C797-C816 HydrophobicContact CB-CB 3.65Å; C797-C816 WeakPolarHBondContact CB-SG 3.5Å; C797-C816 WeakPolarHBondContact SG-CB 3.02Å; C797-C816 PolarHBondContact SG-N 3.11Å; C797-C816 VanDerWaalsContact SG-N 3.42Å; C797-C816 CovalentContact SG-SG 2.02Å; C797-C816 PolarHBondContact SG-SG 3.38Å | ||
| 798 | E | 78.6 | Confident | 73 | Confident | 133 Ų | 133 | 64.8 Ų | 64.8 | 62% | 0.621 | 35% | 0.354 | S | S | * | . | trans | -81.4 | 44.5 | 174.8 | -65.9 | -177.3 | 171.9 | 0 | 0 | 110.9 | P796 N800 N833 | P796-E798 PolarHBondContact O-N 3.33Å; E798-N800 PolarHBondContact O-N 3.01Å; E798-N833 VanDerWaalsContact O-CB 3.32Å; E798-N833 WeakPolarHBondContact O-CB 3.33Å | ||
| 799 | C | 79.1 | Confident | 72.6 | Confident | 16 Ų | 16 | 63.8 Ų | 63.8 | 11% | 0.108 | 36% | 0.363 | C | S | . | . | trans | -62.3 | 122.5 | 178 | -61.2 | 0 | 0 | 0 | 0 | 109.3 | C797 P801 T804 C823 | C797-C799 PolarHBondContact O-N 3.1Å; C799-P801 VanDerWaalsContact O-CD 3.26Å; C799-P801 WeakPolarHBondContact O-CD 3.43Å; C799-T804 HydrophobicContact CB-CG2 4.32Å; C799-C823 WeakPolarHBondContact CA-SG 3.35Å; C799-C823 HydrophobicContact CB-CB 3.83Å; C799-C823 WeakPolarHBondContact CB-SG 3.44Å; C799-C823 WeakPolarHBondContact SG-CB 3.41Å; C799-C823 CovalentContact SG-SG 2.03Å; C799-C823 PolarHBondContact SG-SG 3.5Å | ||
| 800 | N | 79.3 | Confident | 71.8 | Confident | 44 Ų | 44 | 66 Ų | 66 | 24% | 0.235 | 39% | 0.386 | C | S | . | . | trans | -70.5 | 116.8 | 176.3 | -170.4 | -37.6 | 0 | 0 | 0 | 108.6 | E798 I802 G803 T804 N833 C834 D835 F844 | E798-N800 PolarHBondContact O-N 3.01Å; N800-I802 PolarHBondContact O-N 3.14Å; N800-I802 VanDerWaalsContact O-N 3.11Å; N800-I802 WeakPolarHBondContact OD1-CB 3.4Å; N800-I802 PolarHBondContact OD1-N 3.26Å; N800-I802 VanDerWaalsContact OD1-N 3.09Å; N800-G803 PolarHBondContact O-N 2.95Å; N800-G803 VanDerWaalsContact O-N 3.09Å; N800-T804 WeakPolarHBondContact O-CB 3.42Å; N800-T804 PolarHBondContact O-N 2.87Å; N800-T804 PolarHBondContact O-OG1 3.1Å; N800-N833 PolarHBondContact N-O 2.82Å; N800-C834 WeakPolarHBondContact CB-O 3.23Å; N800-D835 HydrophobicContact CB-CB 4.37Å; N800-F844 HydrophobicContact CB-CZ 4.01Å; N800-F844 VanDerWaalsContact ND2-CE1 3.31Å; N800-F844 WeakPolarHBondContact ND2-CE1 3.44Å; N800-F844 WeakPolarHBondContact ND2-CZ 3.43Å | ||
| 801 | P | 74.7 | Confident | 70.8 | Confident | 90 Ų | 90 | 67.9 Ų | 67.9 | 58% | 0.584 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -24.5 | -174.6 | 22.9 | -32.3 | 0 | 0 | 0 | 112.6 | C799 | C799-P801 VanDerWaalsContact O-CD 3.26Å; C799-P801 WeakPolarHBondContact O-CD 3.43Å |
| 802 | I | 80.1 | Confident | 69.8 | Low | 69 Ų | 69 | 67.8 Ų | 67.8 | 35% | 0.354 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -45 | 177.5 | -54.7 | 179.8 | 0 | 0 | 0 | 110.2 | N800 K826 F844 G847 | N800-I802 PolarHBondContact O-N 3.14Å; N800-I802 VanDerWaalsContact O-N 3.11Å; N800-I802 WeakPolarHBondContact OD1-CB 3.4Å; N800-I802 PolarHBondContact OD1-N 3.26Å; N800-I802 VanDerWaalsContact OD1-N 3.09Å; I802-K826 WeakPolarHBondContact O-CD 3.37Å; I802-K826 PolarHBondContact O-NZ 3.14Å; I802-F844 HydrophobicContact CB-CE1 4.19Å; I802-F844 HydrophobicContact CB-CZ 4.39Å; I802-F844 HydrophobicContact CG2-CE1 4.34Å; I802-F844 WeakPolarHBondContact CG2-O 3.43Å; I802-G847 VanDerWaalsContact CG2-CA 3.5Å; I802-G847 WeakPolarHBondContact O-CA 3.44Å |
| 803 | G | 80.6 | Confident | 68.5 | Low | 1 Ų | 1 | 67.7 Ų | 67.7 | 1% | 0.01 | 40% | 0.398 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | -12.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | N800 K826 C834 | N800-G803 PolarHBondContact O-N 2.95Å; N800-G803 VanDerWaalsContact O-N 3.09Å; G803-K826 WeakPolarHBondContact O-CB 3.32Å; G803-K826 WeakPolarHBondContact O-CG 3.35Å; G803-K826 PolarHBondContact O-N 3.46Å; G803-C834 WeakPolarHBondContact CA-O 3.48Å |
| 804 | T | 82 | Confident | 67.6 | Low | 3 Ų | 3 | 68.4 Ų | 68.4 | 2% | 0.018 | 41% | 0.405 | C | S | . | . | B | Isolated β-bridge | trans | -89.5 | 137.2 | -175.2 | -55.4 | 0 | 0 | 0 | 0 | 111.9 | C799 N800 A806 P824 K826 | C799-T804 HydrophobicContact CB-CG2 4.32Å; N800-T804 WeakPolarHBondContact O-CB 3.42Å; N800-T804 PolarHBondContact O-N 2.87Å; N800-T804 PolarHBondContact O-OG1 3.1Å; T804-A806 PolarHBondContact O-N 3Å; T804-P824 HydrophobicContact CG2-CG 3.89Å; T804-K826 WeakPolarHBondContact O-CE 3.18Å; T804-K826 PolarHBondContact O-NZ 3.16Å |
| 805 | L | 73.4 | Confident | 66.7 | Low | 63 Ų | 63 | 70.1 Ų | 70.1 | 33% | 0.33 | 42% | 0.415 | S | S | . | . | trans | -62.5 | 119.7 | 175.9 | -75.8 | 163.7 | 0 | 0 | 0 | 110.2 | N807 Y808 P824 C825 K826 | L805-N807 PolarHBondContact O-N 2.93Å; L805-Y808 HydrophobicContact CD1-CD2 4.11Å; L805-P824 HydrophobicContact CB-CB 4.49Å; L805-P824 HydrophobicContact CD1-CB 4.45Å; L805-P824 PolarHBondContact N-O 3.02Å; L805-C825 VanDerWaalsContact CD1-O 3.29Å; L805-C825 WeakPolarHBondContact CD1-O 2.84Å; L805-K826 HydrophobicContact CD2-CG 3.87Å; L805-K826 HydrophobicContact CG-CG 4.05Å | ||
| 806 | A | 62 | Low | 66.6 | Low | 58 Ų | 58 | 68.8 Ų | 68.8 | 48% | 0.479 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -23.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | T804 I813 | T804-A806 PolarHBondContact O-N 3Å; A806-I813 HydrophobicContact CB-CD1 4.29Å; A806-I813 HydrophobicContact CB-CG1 4.32Å |
| 807 | N | 57.8 | Low | 66.5 | Low | 161 Ų | 161 | 69 Ų | 69 | 86% | 0.861 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.4 | 19.7 | -167.5 | -113.3 | 8.9 | 0 | 0 | 0 | 114.7 | L805 G809 | L805-N807 PolarHBondContact O-N 2.93Å; N807-G809 PolarHBondContact O-N 3.03Å |
| 808 | Y | 44.5 | Very low | 66.3 | Low | 166 Ų | 166 | 71.5 Ų | 71.5 | 65% | 0.651 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -83 | 88.8 | -178.4 | -139 | -88.9 | 0 | 0 | 0 | 111.5 | L805 P824 | L805-Y808 HydrophobicContact CD1-CD2 4.11Å; Y808-P824 HydrophobicContact CD1-CB 4.2Å; Y808-P824 HydrophobicContact CD2-CB 3.84Å; Y808-P824 HydrophobicContact CE2-CB 4.42Å; Y808-P824 HydrophobicContact CG-CB 3.7Å; Y808-P824 HydrophobicContact CG-CG 4.08Å |
| 809 | G | 48.7 | Very low | 66 | Low | 58 Ų | 58 | 70 Ų | 70 | 60% | 0.598 | 41% | 0.412 | S | S | * | . | S | Bend | trans | 78.7 | 166.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | N807 Q811 | N807-G809 PolarHBondContact O-N 3.03Å; G809-Q811 PolarHBondContact O-N 3.02Å |
| 810 | S | 48.5 | Very low | 65.8 | Low | 137 Ų | 137 | 73.4 Ų | 73.4 | 96% | 0.958 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | 10.4 | -170.1 | 25.8 | 0 | 0 | 0 | 0 | 115.7 | ||
| 811 | Q | 45.5 | Very low | 65.5 | Low | 129 Ų | 129 | 71.3 Ų | 71.3 | 60% | 0.603 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.9 | 2.1 | -176.8 | -67.9 | -165 | -11.6 | 0 | 0 | 115.1 | S771 G809 V815 | S771-Q811 PolarHBondContact OG-OE1 2.86Å; G809-Q811 PolarHBondContact O-N 3.02Å; Q811-V815 HydrophobicContact CB-CG2 3.92Å |
| 812 | G | 50 | Low | 65.9 | Low | 39 Ų | 39 | 70.6 Ų | 70.6 | 40% | 0.402 | 41% | 0.41 | S | S | . | . | trans | 81.4 | -179.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | G814 | G812-G814 PolarHBondContact O-N 2.84Š| ||
| 813 | I | 53.5 | Low | 66.1 | Low | 118 Ų | 118 | 67.4 Ų | 67.4 | 61% | 0.605 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | 126.8 | -170.5 | -58.7 | 170.3 | 0 | 0 | 0 | 110.5 | A806 | A806-I813 HydrophobicContact CB-CD1 4.29Å; A806-I813 HydrophobicContact CB-CG1 4.32Å |
| 814 | G | 59.8 | Low | 66.1 | Low | 21 Ų | 21 | 68.5 Ų | 68.5 | 22% | 0.216 | 40% | 0.401 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 115 | -1.2 | 175 | 0 | 0 | 0 | 0 | 0 | 115.4 | G772 C797 G812 C816 | G772-G814 WeakPolarHBondContact CA-O 3.35Å; C797-G814 WeakPolarHBondContact CB-O 3.3Å; G812-G814 PolarHBondContact O-N 2.84Å; G814-C816 PolarHBondContact O-N 3.03Å |
| 815 | V | 67.7 | Low | 66.3 | Low | 48 Ų | 48 | 69.7 Ų | 69.7 | 29% | 0.291 | 41% | 0.409 | S | S | . | . | trans | -79.2 | 107 | 176.4 | -174.4 | 0 | 0 | 0 | 0 | 110.3 | Q811 P824 | Q811-V815 HydrophobicContact CB-CG2 3.92Å; V815-P824 WeakPolarHBondContact O-CD 3.12Å | ||
| 816 | C | 78.1 | Confident | 66.7 | Low | 6 Ų | 6 | 68.3 Ų | 68.3 | 4% | 0.041 | 40% | 0.401 | C | S | . | . | trans | -93.5 | 169.5 | 168.6 | 74.5 | 0 | 0 | 0 | 0 | 111.8 | C797 G814 P818 G821 C823 | C797-C816 HydrophobicContact CB-CB 3.65Å; C797-C816 WeakPolarHBondContact CB-SG 3.5Å; C797-C816 WeakPolarHBondContact SG-CB 3.02Å; C797-C816 PolarHBondContact SG-N 3.11Å; C797-C816 VanDerWaalsContact SG-N 3.42Å; C797-C816 CovalentContact SG-SG 2.02Å; C797-C816 PolarHBondContact SG-SG 3.38Å; G814-C816 PolarHBondContact O-N 3.03Å; C816-P818 WeakPolarHBondContact O-CD 3.37Å; C816-G821 WeakPolarHBondContact CB-O 3.26Å; C816-C823 HydrophobicContact CB-CB 4.4Å | ||
| 817 | N | 78 | Confident | 67.8 | Low | 71 Ų | 71 | 70 Ų | 70 | 38% | 0.38 | 41% | 0.407 | S | S | . | . | trans | -60.4 | 122 | 170.4 | -177.4 | -41.7 | 0 | 0 | 0 | 109.7 | E819 T820 G821 Q822 | N817-E819 PolarHBondContact O-N 2.81Å; N817-E819 PolarHBondContact OD1-N 3.43Å; N817-T820 VanDerWaalsContact CB-OG1 3.26Å; N817-T820 WeakPolarHBondContact CB-OG1 3.27Å; N817-T820 PolarHBondContact ND2-OG1 2.89Å; N817-T820 PolarHBondContact OD1-N 3.42Å; N817-G821 VanDerWaalsContact O-CA 3.23Å; N817-G821 WeakPolarHBondContact O-CA 3.16Å; N817-G821 PolarHBondContact O-N 3.5Å; N817-Q822 HydrophobicContact CB-CB 4.39Å; N817-Q822 PolarHBondContact N-O 3.36Å | ||
| 818 | P | 71.2 | Confident | 68.9 | Low | 70 Ų | 70 | 63 Ų | 63 | 46% | 0.455 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -29.7 | -174.7 | -23.8 | 32.6 | 0 | 0 | 0 | 114.5 | R774 R775 C816 | R774-P818 WeakPolarHBondContact CA-O 3.42Å; R775-P818 PolarHBondContact N-O 3.44Å; C816-P818 WeakPolarHBondContact O-CD 3.37Å |
| 819 | E | 72 | Confident | 70.9 | Confident | 101 Ų | 101 | 55.2 Ų | 55.2 | 47% | 0.472 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94 | -42.7 | -175.9 | -63.4 | -57.2 | 149.5 | 0 | 0 | 112.5 | R775 N817 | R775-E819 IonicContact CZ-OE1 2.72Å; R775-E819 IonicContact CZ-OE2 3.15Å; R775-E819 IonicContact NE-OE1 3.03Å; R775-E819 PolarHBondContact NE-OE1 2.7Å; R775-E819 IonicContact NE-OE2 2.65Å; R775-E819 PolarHBondContact NE-OE2 2.72Å; R775-E819 IonicContact NH2-OE1 3.81Å; R775-E819 PolarHBondContact NH2-OE1 3.39Å; R775-E819 IonicContact NH2-OE2 2.68Å; N817-E819 PolarHBondContact O-N 2.81Å; N817-E819 PolarHBondContact OD1-N 3.43Å |
| 820 | T | 73.8 | Confident | 72.5 | Confident | 88 Ų | 88 | 52.6 Ų | 52.6 | 54% | 0.54 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | -15.9 | -177.2 | 66.6 | 0 | 0 | 0 | 0 | 113.6 | N817 Q822 | N817-T820 VanDerWaalsContact CB-OG1 3.26Å; N817-T820 WeakPolarHBondContact CB-OG1 3.27Å; N817-T820 PolarHBondContact ND2-OG1 2.89Å; N817-T820 PolarHBondContact OD1-N 3.42Å; T820-Q822 PolarHBondContact O-N 3.32Å; T820-Q822 WeakPolarHBondContact OG1-CB 3.4Å; T820-Q822 PolarHBondContact OG1-N 3.45Å |
| 821 | G | 74.4 | Confident | 74 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 28% | 0.282 | C | S | . | . | trans | 73.3 | -1.3 | -170.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | C816 N817 C823 V832 | C816-G821 WeakPolarHBondContact CB-O 3.26Å; N817-G821 VanDerWaalsContact O-CA 3.23Å; N817-G821 WeakPolarHBondContact O-CA 3.16Å; N817-G821 PolarHBondContact O-N 3.5Å; G821-C823 PolarHBondContact O-N 2.87Å; G821-V832 VanDerWaalsContact C-CG1 3.44Å; G821-V832 VanDerWaalsContact O-CG1 3.27Å; G821-V832 WeakPolarHBondContact O-CG1 3.49Å | ||
| 822 | Q | 83.3 | Confident | 75.8 | Confident | 75 Ų | 75 | 44.5 Ų | 44.5 | 35% | 0.35 | 27% | 0.273 | S | S | . | . | trans | -68.6 | 116.9 | -173.9 | -177.4 | 62.1 | 57.5 | 0 | 0 | 111.2 | N817 T820 C825 G831 | N817-Q822 HydrophobicContact CB-CB 4.39Å; N817-Q822 PolarHBondContact N-O 3.36Å; T820-Q822 PolarHBondContact O-N 3.32Å; T820-Q822 WeakPolarHBondContact OG1-CB 3.4Å; T820-Q822 PolarHBondContact OG1-N 3.45Å; Q822-C825 PolarHBondContact NE2-SG 2.95Å; Q822-C825 VanDerWaalsContact NE2-SG 3.45Å; Q822-G831 PolarHBondContact NE2-O 3.08Å | ||
| 823 | C | 84.1 | Confident | 77.5 | Confident | 3 Ų | 3 | 44.4 Ų | 44.4 | 2% | 0.02 | 26% | 0.264 | C | S | . | . | trans | -74.7 | 150.4 | 172.8 | -61.2 | 0 | 0 | 0 | 0 | 110.7 | C799 C816 G821 C825 V832 C834 | C799-C823 WeakPolarHBondContact CA-SG 3.35Å; C799-C823 HydrophobicContact CB-CB 3.83Å; C799-C823 WeakPolarHBondContact CB-SG 3.44Å; C799-C823 WeakPolarHBondContact SG-CB 3.41Å; C799-C823 CovalentContact SG-SG 2.03Å; C799-C823 PolarHBondContact SG-SG 3.5Å; C816-C823 HydrophobicContact CB-CB 4.4Å; G821-C823 PolarHBondContact O-N 2.87Å; C823-C825 PolarHBondContact O-N 2.95Å; C823-C825 VanDerWaalsContact O-N 3.08Å; C823-C825 PolarHBondContact O-SG 3.37Å; C823-V832 WeakPolarHBondContact CB-O 3.42Å; C823-V832 PolarHBondContact N-O 3.33Å; C823-V832 PolarHBondContact SG-O 2.82Å; C823-C834 VanDerWaalsContact C-SG 3.5Å; C823-C834 HydrophobicContact CB-CB 4.39Å; C823-C834 WeakPolarHBondContact CB-SG 3.18Å; C823-C834 PolarHBondContact O-SG 3.35Å | ||
| 824 | P | 80.8 | Confident | 79.1 | Confident | 23 Ų | 23 | 38.8 Ų | 38.8 | 15% | 0.149 | 24% | 0.235 | C | C | . | . | trans | -75.4 | 95.2 | 175.6 | 28.6 | -32.1 | 0 | 0 | 0 | 110.5 | T804 L805 Y808 V815 | T804-P824 HydrophobicContact CG2-CG 3.89Å; L805-P824 HydrophobicContact CB-CB 4.49Å; L805-P824 HydrophobicContact CD1-CB 4.45Å; L805-P824 PolarHBondContact N-O 3.02Å; Y808-P824 HydrophobicContact CD1-CB 4.2Å; Y808-P824 HydrophobicContact CD2-CB 3.84Å; Y808-P824 HydrophobicContact CE2-CB 4.42Å; Y808-P824 HydrophobicContact CG-CB 3.7Å; Y808-P824 HydrophobicContact CG-CG 4.08Å; V815-P824 WeakPolarHBondContact O-CD 3.12Å | ||
| 825 | C | 85 | Confident | 80.3 | Confident | 29 Ų | 29 | 41.4 Ų | 41.4 | 20% | 0.196 | 24% | 0.244 | C | C | . | . | B | Isolated β-bridge | trans | -76.5 | 144.7 | -174.3 | -53.3 | 0 | 0 | 0 | 0 | 112.9 | L805 Q822 C823 V829 C834 | L805-C825 VanDerWaalsContact CD1-O 3.29Å; L805-C825 WeakPolarHBondContact CD1-O 2.84Å; Q822-C825 PolarHBondContact NE2-SG 2.95Å; Q822-C825 VanDerWaalsContact NE2-SG 3.45Å; C823-C825 PolarHBondContact O-N 2.95Å; C823-C825 VanDerWaalsContact O-N 3.08Å; C823-C825 PolarHBondContact O-SG 3.37Å; C825-V829 HydrophobicContact CB-CB 4.05Å; C825-V829 HydrophobicContact CB-CG1 4.12Å; C825-V829 VanDerWaalsContact CB-O 3.27Å; C825-V829 WeakPolarHBondContact CB-O 3.29Å; C825-C834 WeakPolarHBondContact CA-SG 3.43Å; C825-C834 HydrophobicContact CB-CB 3.72Å; C825-C834 WeakPolarHBondContact CB-SG 3.03Å; C825-C834 PolarHBondContact N-SG 3.37Å; C825-C834 WeakPolarHBondContact SG-CA 3.46Å; C825-C834 WeakPolarHBondContact SG-CB 3.02Å; C825-C834 CovalentContact SG-SG 2.03Å; C825-C834 PolarHBondContact SG-SG 3.4Å |
| 826 | K | 82.3 | Confident | 81.2 | Confident | 33 Ų | 33 | 45.1 Ų | 45.1 | 14% | 0.143 | 26% | 0.256 | C | S | . | . | P | Polyproline II helix | trans | -62.5 | 157.6 | 168.1 | -74.2 | 170.9 | 179.3 | 150.4 | 0 | 110.2 | I802 G803 T804 L805 G828 V829 G847 | I802-K826 WeakPolarHBondContact O-CD 3.37Å; I802-K826 PolarHBondContact O-NZ 3.14Å; G803-K826 WeakPolarHBondContact O-CB 3.32Å; G803-K826 WeakPolarHBondContact O-CG 3.35Å; G803-K826 PolarHBondContact O-N 3.46Å; T804-K826 WeakPolarHBondContact O-CE 3.18Å; T804-K826 PolarHBondContact O-NZ 3.16Å; L805-K826 HydrophobicContact CD2-CG 3.87Å; L805-K826 HydrophobicContact CG-CG 4.05Å; K826-G828 PolarHBondContact O-N 3.42Å; K826-V829 HydrophobicContact CB-CG2 4.1Å; K826-V829 WeakPolarHBondContact O-CB 3.04Å; K826-V829 PolarHBondContact O-N 3.44Å; K826-G847 WeakPolarHBondContact CD-O 3.41Å; K826-G847 WeakPolarHBondContact CE-O 3.49Å; K826-G847 PolarHBondContact NZ-O 3.08Å |
| 827 | P | 84 | Confident | 81.5 | Confident | 94 Ų | 94 | 45.6 Ų | 45.6 | 61% | 0.61 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.2 | 136.6 | 177.3 | -26.6 | 34.8 | 0 | 0 | 0 | 112.1 | V829 G849 C850 | P827-V829 PolarHBondContact O-N 3.27Å; P827-G849 CarbonylContact O-C 3.56Å; P827-G849 WeakPolarHBondContact O-CA 3.11Å; P827-C850 PolarHBondContact O-N 2.7Å |
| 828 | G | 81.8 | Confident | 81.7 | Confident | 13 Ų | 13 | 47.8 Ų | 47.8 | 13% | 0.134 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 74.7 | -7.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | K826 C837 F838 C850 | K826-G828 PolarHBondContact O-N 3.42Å; G828-C837 CarbonylContact O-C 3.28Å; G828-C837 WeakPolarHBondContact O-CA 3.03Å; G828-F838 WeakPolarHBondContact O-CD2 3.48Å; G828-F838 PolarHBondContact O-N 2.89Å; G828-C850 WeakPolarHBondContact O-CB 3.37Å |
| 829 | V | 86.1 | Confident | 82.1 | Confident | 4 Ų | 4 | 51 Ų | 51 | 2% | 0.024 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 135.4 | 176.3 | -179.4 | 0 | 0 | 0 | 0 | 109.5 | C825 K826 P827 C834 K836 F838 F844 C850 | C825-V829 HydrophobicContact CB-CB 4.05Å; C825-V829 HydrophobicContact CB-CG1 4.12Å; C825-V829 VanDerWaalsContact CB-O 3.27Å; C825-V829 WeakPolarHBondContact CB-O 3.29Å; K826-V829 HydrophobicContact CB-CG2 4.1Å; K826-V829 WeakPolarHBondContact O-CB 3.04Å; K826-V829 PolarHBondContact O-N 3.44Å; P827-V829 PolarHBondContact O-N 3.27Å; V829-C834 HydrophobicContact CG1-CB 3.78Å; V829-C834 WeakPolarHBondContact CG1-O 3.48Å; V829-K836 CarbonylContact C-O 3.52Å; V829-K836 WeakPolarHBondContact CA-O 3.02Å; V829-K836 WeakPolarHBondContact CG1-O 3.24Å; V829-F838 VanDerWaalsContact O-CE2 3.24Å; V829-F838 WeakPolarHBondContact O-CE2 3.27Å; V829-F844 HydrophobicContact CG1-CD2 4.14Å; V829-F844 HydrophobicContact CG1-CE2 3.72Å; V829-F844 HydrophobicContact CG2-CD2 4.17Å; V829-F844 HydrophobicContact CG2-CE2 4.35Å; V829-C850 HydrophobicContact CG2-CB 4.44Å; V829-C850 WeakPolarHBondContact CG2-SG 3.25Å |
| 830 | G | 81.8 | Confident | 82.5 | Confident | 3 Ų | 3 | 47.1 Ų | 47.1 | 3% | 0.031 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | -179.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | D835 K836 F838 | G830-D835 PolarHBondContact O-N 3.49Å; G830-K836 PolarHBondContact N-O 2.02Å; G830-K836 VanDerWaalsContact O-O 3.1Å; G830-F838 VanDerWaalsContact CA-CZ 3.48Å |
| 831 | G | 81.3 | Confident | 83.1 | Confident | 25 Ų | 25 | 46.2 Ų | 46.2 | 26% | 0.258 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.7 | 154.9 | -172.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q822 N833 C834 | Q822-G831 PolarHBondContact NE2-O 3.08Å; G831-N833 PolarHBondContact O-N 3.46Å; G831-C834 PolarHBondContact O-N 3.45Å |
| 832 | V | 83.3 | Confident | 83.6 | Confident | 70 Ų | 70 | 48.5 Ų | 48.5 | 42% | 0.424 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -34.3 | 178.6 | 178.1 | 0 | 0 | 0 | 0 | 111 | G821 C823 | G821-V832 VanDerWaalsContact C-CG1 3.44Å; G821-V832 VanDerWaalsContact O-CG1 3.27Å; G821-V832 WeakPolarHBondContact O-CG1 3.49Å; C823-V832 WeakPolarHBondContact CB-O 3.42Å; C823-V832 PolarHBondContact N-O 3.33Å; C823-V832 PolarHBondContact SG-O 2.82Å |
| 833 | N | 85.6 | Confident | 83.6 | Confident | 37 Ų | 37 | 45 Ų | 45 | 20% | 0.198 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | 2.6 | -177.2 | -68.6 | -10.5 | 0 | 0 | 0 | 114.2 | E798 N800 G831 D835 | E798-N833 VanDerWaalsContact O-CB 3.32Å; E798-N833 WeakPolarHBondContact O-CB 3.33Å; N800-N833 PolarHBondContact N-O 2.82Å; G831-N833 PolarHBondContact O-N 3.46Å; N833-D835 VanDerWaalsContact C-N 3.31Å; N833-D835 HydrophobicContact CB-CB 4.24Å; N833-D835 PolarHBondContact O-N 3.08Å |
| 834 | C | 87.2 | Confident | 83.5 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 52.6 | 47.2 | -172.4 | -50.6 | 0 | 0 | 0 | 0 | 112.8 | N800 G803 C823 C825 V829 G831 F844 | N800-C834 WeakPolarHBondContact CB-O 3.23Å; G803-C834 WeakPolarHBondContact CA-O 3.48Å; C823-C834 VanDerWaalsContact C-SG 3.5Å; C823-C834 HydrophobicContact CB-CB 4.39Å; C823-C834 WeakPolarHBondContact CB-SG 3.18Å; C823-C834 PolarHBondContact O-SG 3.35Å; C825-C834 WeakPolarHBondContact CA-SG 3.43Å; C825-C834 HydrophobicContact CB-CB 3.72Å; C825-C834 WeakPolarHBondContact CB-SG 3.03Å; C825-C834 PolarHBondContact N-SG 3.37Å; C825-C834 WeakPolarHBondContact SG-CA 3.46Å; C825-C834 WeakPolarHBondContact SG-CB 3.02Å; C825-C834 CovalentContact SG-SG 2.03Å; C825-C834 PolarHBondContact SG-SG 3.4Å; V829-C834 HydrophobicContact CG1-CB 3.78Å; V829-C834 WeakPolarHBondContact CG1-O 3.48Å; G831-C834 PolarHBondContact O-N 3.45Å; C834-F844 WeakPolarHBondContact O-CE2 3.37Å; C834-F844 WeakPolarHBondContact O-CZ 3.43Å |
| 835 | D | 84.4 | Confident | 83.4 | Confident | 76 Ų | 76 | 50.6 Ų | 50.6 | 41% | 0.406 | 27% | 0.272 | S | S | . | . | trans | -104.4 | -11.1 | -168.4 | 61.6 | -36.8 | 0 | 0 | 0 | 113.9 | N800 G830 N833 F844 | N800-D835 HydrophobicContact CB-CB 4.37Å; G830-D835 PolarHBondContact O-N 3.49Å; N833-D835 VanDerWaalsContact C-N 3.31Å; N833-D835 HydrophobicContact CB-CB 4.24Å; N833-D835 PolarHBondContact O-N 3.08Å; D835-F844 VanDerWaalsContact C-CE2 3.43Å; D835-F844 VanDerWaalsContact C-CZ 3.47Å; D835-F844 WeakPolarHBondContact O-CZ 3.5Å | ||
| 836 | K | 86 | Confident | 83.1 | Confident | 127 Ų | 127 | 52.7 Ų | 52.7 | 55% | 0.552 | 28% | 0.283 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 156.9 | -178 | 62.1 | -177.4 | 178.9 | -178.2 | 0 | 112.2 | V829 G830 | V829-K836 CarbonylContact C-O 3.52Å; V829-K836 WeakPolarHBondContact CA-O 3.02Å; V829-K836 WeakPolarHBondContact CG1-O 3.24Å; G830-K836 PolarHBondContact N-O 2.02Å; G830-K836 VanDerWaalsContact O-O 3.1Å |
| 837 | C | 85.8 | Confident | 82.7 | Confident | 15 Ų | 15 | 52.1 Ų | 52.1 | 10% | 0.101 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 153.9 | 167.8 | -60.7 | 0 | 0 | 0 | 0 | 110.8 | G828 F841 Y842 C850 | G828-C837 CarbonylContact O-C 3.28Å; G828-C837 WeakPolarHBondContact O-CA 3.03Å; C837-F841 HydrophobicContact CB-CB 4.02Å; C837-F841 WeakPolarHBondContact CB-O 3.32Å; C837-Y842 VanDerWaalsContact SG-C 3.57Å; C837-Y842 VanDerWaalsContact SG-CA 3.56Å; C837-C850 WeakPolarHBondContact CA-SG 3.27Å; C837-C850 HydrophobicContact CB-CB 3.66Å; C837-C850 WeakPolarHBondContact CB-SG 3.48Å; C837-C850 WeakPolarHBondContact SG-CB 3.23Å; C837-C850 CovalentContact SG-SG 2.03Å; C837-C850 PolarHBondContact SG-SG 2.64Å |
| 838 | F | 82.3 | Confident | 82.6 | Confident | 118 Ų | 118 | 55.5 Ų | 55.5 | 52% | 0.518 | 30% | 0.295 | S | S | . | . | P | Polyproline II helix | trans | -61.7 | 150.8 | 161.3 | -69.5 | -61.1 | 0 | 0 | 0 | 109.7 | G828 V829 G830 G840 F841 | G828-F838 WeakPolarHBondContact O-CD2 3.48Å; G828-F838 PolarHBondContact O-N 2.89Å; V829-F838 VanDerWaalsContact O-CE2 3.24Å; V829-F838 WeakPolarHBondContact O-CE2 3.27Å; G830-F838 VanDerWaalsContact CA-CZ 3.48Å; F838-G840 PolarHBondContact O-N 3.44Å; F838-F841 HydrophobicContact CB-CD2 4.08Å; F838-F841 WeakPolarHBondContact O-CB 3.42Å; F838-F841 PolarHBondContact O-N 3.41Å |
| 839 | D | 79.6 | Confident | 82.5 | Confident | 137 Ų | 137 | 55.1 Ų | 55.1 | 73% | 0.733 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | 133.4 | 175.2 | -158.2 | 6.4 | 0 | 0 | 0 | 109.3 | S864 | D839-S864 WeakPolarHBondContact OD1-CB 3.39Å; D839-S864 PolarHBondContact OD1-OG 3.01Å |
| 840 | G | 78.5 | Confident | 82.6 | Confident | 19 Ų | 19 | 55 Ų | 55 | 20% | 0.196 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 83.4 | 10.9 | -168.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | F838 C853 | F838-G840 PolarHBondContact O-N 3.44Å; G840-C853 VanDerWaalsContact CA-SG 3.57Å; G840-C853 WeakPolarHBondContact O-CB 3.42Å; G840-C853 PolarHBondContact O-N 3.32Å; G840-C853 PolarHBondContact O-SG 3.39Å |
| 841 | F | 86.8 | Confident | 82.7 | Confident | 70 Ų | 70 | 60.3 Ų | 60.3 | 31% | 0.307 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 155.7 | 173.2 | -70 | -109.7 | 0 | 0 | 0 | 112.1 | C837 F838 C850 Q851 P852 | C837-F841 HydrophobicContact CB-CB 4.02Å; C837-F841 WeakPolarHBondContact CB-O 3.32Å; F838-F841 HydrophobicContact CB-CD2 4.08Å; F838-F841 WeakPolarHBondContact O-CB 3.42Å; F838-F841 PolarHBondContact O-N 3.41Å; F841-C850 HydrophobicContact CB-CB 3.71Å; F841-C850 HydrophobicContact CD1-CB 4.47Å; F841-Q851 CarbonylContact C-O 3.49Å; F841-Q851 WeakPolarHBondContact CA-O 3.47Å; F841-Q851 WeakPolarHBondContact CB-O 3.43Å; F841-P852 HydrophobicContact CD1-CB 4.17Å; F841-P852 VanDerWaalsContact CD1-N 3.3Å; F841-P852 HydrophobicContact CE1-CB 3.83Å; F841-P852 HydrophobicContact CE1-CG 4.24Å; F841-P852 HydrophobicContact CZ-CB 4.07Å |
| 842 | Y | 85.8 | Confident | 82.8 | Confident | 47 Ų | 47 | 61.2 Ų | 61.2 | 18% | 0.184 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 171.6 | -179.3 | 78 | -79.7 | 0 | 0 | 0 | 113.5 | C837 C850 Q851 D866 D867 G870 R881 | C837-Y842 VanDerWaalsContact SG-C 3.57Å; C837-Y842 VanDerWaalsContact SG-CA 3.56Å; Y842-C850 CarbonylContact O-C 3.32Å; Y842-C850 WeakPolarHBondContact O-CA 3.45Å; Y842-C850 WeakPolarHBondContact O-CB 3.39Å; Y842-Q851 HydrophobicContact CD1-CB 4.37Å; Y842-Q851 WeakPolarHBondContact CD1-O 3.4Å; Y842-Q851 HydrophobicContact CE1-CB 3.87Å; Y842-Q851 PolarHBondContact N-O 3.37Å; Y842-Q851 PolarHBondContact O-N 3.25Å; Y842-D866 WeakPolarHBondContact CB-O 3.3Å; Y842-D867 CarbonylContact C-O 3.52Å; Y842-D867 WeakPolarHBondContact CA-O 3.45Å; Y842-G870 VanDerWaalsContact CD1-CA 3.47Å; Y842-R881 VanDerWaalsContact CE1-CZ 3.43Å; Y842-R881 WeakPolarHBondContact OH-CD 3.26Å; Y842-R881 VanDerWaalsContact OH-CZ 3.3Å; Y842-R881 PolarHBondContact OH-NE 2.74Å; Y842-R881 VanDerWaalsContact OH-NE 3.11Å |
| 843 | G | 83.9 | Confident | 82.9 | Confident | 3 Ų | 3 | 57.9 Ų | 57.9 | 3% | 0.031 | 30% | 0.295 | C | S | . | . | trans | 99.6 | 23 | 171 | 0 | 0 | 0 | 0 | 0 | 112.9 | H845 T846 D867 | G843-H845 VanDerWaalsContact C-N 3.28Å; G843-H845 PolarHBondContact O-N 3.1Å; G843-T846 WeakPolarHBondContact O-CB 3.46Å; G843-T846 WeakPolarHBondContact O-CG2 3.38Å; G843-T846 PolarHBondContact O-N 3.25Å; G843-T846 PolarHBondContact O-OG1 3.4Å; G843-D867 PolarHBondContact N-O 3.15Å | ||
| 844 | F | 81.3 | Confident | 82.9 | Confident | 29 Ų | 29 | 61 Ų | 61 | 13% | 0.127 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -48.9 | -49.2 | 179.6 | -172.4 | -101.5 | 0 | 0 | 0 | 112.5 | N800 I802 V829 C834 D835 T846 G847 | N800-F844 HydrophobicContact CB-CZ 4.01Å; N800-F844 VanDerWaalsContact ND2-CE1 3.31Å; N800-F844 WeakPolarHBondContact ND2-CE1 3.44Å; N800-F844 WeakPolarHBondContact ND2-CZ 3.43Å; I802-F844 HydrophobicContact CB-CE1 4.19Å; I802-F844 HydrophobicContact CB-CZ 4.39Å; I802-F844 HydrophobicContact CG2-CE1 4.34Å; I802-F844 WeakPolarHBondContact CG2-O 3.43Å; V829-F844 HydrophobicContact CG1-CD2 4.14Å; V829-F844 HydrophobicContact CG1-CE2 3.72Å; V829-F844 HydrophobicContact CG2-CD2 4.17Å; V829-F844 HydrophobicContact CG2-CE2 4.35Å; C834-F844 WeakPolarHBondContact O-CE2 3.37Å; C834-F844 WeakPolarHBondContact O-CZ 3.43Å; D835-F844 VanDerWaalsContact C-CE2 3.43Å; D835-F844 VanDerWaalsContact C-CZ 3.47Å; D835-F844 WeakPolarHBondContact O-CZ 3.5Å; F844-T846 PolarHBondContact O-N 2.04Å; F844-T846 VanDerWaalsContact O-N 3.08Å; F844-G847 PolarHBondContact O-N 3.19Å |
| 845 | H | 77.8 | Confident | 82.9 | Confident | 114 Ų | 114 | 61.9 Ų | 61.9 | 53% | 0.528 | 32% | 0.318 | S | S | . | . | G | 310 helix | trans | -60.6 | -19.3 | -177.7 | 72.1 | -77.7 | 0 | 0 | 0 | 115.2 | G843 G847 R868 | G843-H845 VanDerWaalsContact C-N 3.28Å; G843-H845 PolarHBondContact O-N 3.1Å; H845-G847 PolarHBondContact O-N 3.18Å; H845-R868 PolarHBondContact CE1-O 3.39Å; H845-R868 PolarHBondContact ND1-O 3.46Å |
| 846 | T | 78.7 | Confident | 82.9 | Confident | 72 Ų | 72 | 60.7 Ų | 60.7 | 44% | 0.442 | 31% | 0.311 | S | S | . | . | G | 310 helix | trans | -67.4 | -21.5 | -179.8 | 66.1 | 0 | 0 | 0 | 0 | 112.2 | G843 F844 Q848 | G843-T846 WeakPolarHBondContact O-CB 3.46Å; G843-T846 WeakPolarHBondContact O-CG2 3.38Å; G843-T846 PolarHBondContact O-N 3.25Å; G843-T846 PolarHBondContact O-OG1 3.4Å; F844-T846 PolarHBondContact O-N 2.04Å; F844-T846 VanDerWaalsContact O-N 3.08Å; T846-Q848 PolarHBondContact O-N 2.86Å; T846-Q848 PolarHBondContact OG1-N 2.91Å |
| 847 | G | 74.6 | Confident | 82.7 | Confident | 21 Ų | 21 | 59 Ų | 59 | 22% | 0.216 | 32% | 0.316 | C | S | . | . | S | Bend | trans | 71.1 | 7.1 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | I802 K826 F844 H845 | I802-G847 VanDerWaalsContact CG2-CA 3.5Å; I802-G847 WeakPolarHBondContact O-CA 3.44Å; K826-G847 WeakPolarHBondContact CD-O 3.41Å; K826-G847 WeakPolarHBondContact CE-O 3.49Å; K826-G847 PolarHBondContact NZ-O 3.08Å; F844-G847 PolarHBondContact O-N 3.19Å; H845-G847 PolarHBondContact O-N 3.18Å |
| 848 | Q | 81.2 | Confident | 82.5 | Confident | 166 Ų | 166 | 60.7 Ų | 60.7 | 78% | 0.776 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -99.9 | -6.5 | 179.5 | -65.3 | -178.3 | -4.9 | 0 | 0 | 113.3 | T846 | T846-Q848 PolarHBondContact O-N 2.86Å; T846-Q848 PolarHBondContact OG1-N 2.91Å |
| 849 | G | 79.8 | Confident | 82.4 | Confident | 4 Ų | 4 | 55 Ų | 55 | 4% | 0.041 | 30% | 0.3 | C | S | . | . | trans | 106.7 | 173.5 | -168.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | P827 | P827-G849 CarbonylContact O-C 3.56Å; P827-G849 WeakPolarHBondContact O-CA 3.11Å | ||
| 850 | C | 88.3 | Confident | 82.6 | Confident | 3 Ų | 3 | 48.7 Ų | 48.7 | 2% | 0.02 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -96.1 | 139.9 | 178.6 | -52 | 0 | 0 | 0 | 0 | 111.5 | P827 G828 V829 C837 F841 Y842 | P827-C850 PolarHBondContact O-N 2.7Å; G828-C850 WeakPolarHBondContact O-CB 3.37Å; V829-C850 HydrophobicContact CG2-CB 4.44Å; V829-C850 WeakPolarHBondContact CG2-SG 3.25Å; C837-C850 WeakPolarHBondContact CA-SG 3.27Å; C837-C850 HydrophobicContact CB-CB 3.66Å; C837-C850 WeakPolarHBondContact CB-SG 3.48Å; C837-C850 WeakPolarHBondContact SG-CB 3.23Å; C837-C850 CovalentContact SG-SG 2.03Å; C837-C850 PolarHBondContact SG-SG 2.64Å; F841-C850 HydrophobicContact CB-CB 3.71Å; F841-C850 HydrophobicContact CD1-CB 4.47Å; Y842-C850 CarbonylContact O-C 3.32Å; Y842-C850 WeakPolarHBondContact O-CA 3.45Å; Y842-C850 WeakPolarHBondContact O-CB 3.39Å |
| 851 | Q | 84.9 | Confident | 82.7 | Confident | 114 Ų | 114 | 50.8 Ų | 50.8 | 53% | 0.533 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 146.6 | 175.6 | -65.5 | -62.9 | -48.6 | 0 | 0 | 109.8 | F841 Y842 | F841-Q851 CarbonylContact C-O 3.49Å; F841-Q851 WeakPolarHBondContact CA-O 3.47Å; F841-Q851 WeakPolarHBondContact CB-O 3.43Å; Y842-Q851 HydrophobicContact CD1-CB 4.37Å; Y842-Q851 WeakPolarHBondContact CD1-O 3.4Å; Y842-Q851 HydrophobicContact CE1-CB 3.87Å; Y842-Q851 PolarHBondContact N-O 3.37Å; Y842-Q851 PolarHBondContact O-N 3.25Å |
| 852 | P | 83.5 | Confident | 82.5 | Confident | 43 Ų | 43 | 52.4 Ų | 52.4 | 28% | 0.279 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.4 | 143.3 | 175.8 | 24.6 | -31.7 | 0 | 0 | 0 | 110.6 | F841 D854 | F841-P852 HydrophobicContact CD1-CB 4.17Å; F841-P852 VanDerWaalsContact CD1-N 3.3Å; F841-P852 HydrophobicContact CE1-CB 3.83Å; F841-P852 HydrophobicContact CE1-CG 4.24Å; F841-P852 HydrophobicContact CZ-CB 4.07Å; P852-D854 VanDerWaalsContact C-N 3.25Å; P852-D854 PolarHBondContact O-N 3.21Å |
| 853 | C | 85 | Confident | 82.2 | Confident | 1 Ų | 1 | 57.6 Ų | 57.6 | 1% | 0.007 | 31% | 0.31 | C | S | . | . | trans | -61.4 | -37 | -179.9 | -67.5 | 0 | 0 | 0 | 0 | 111.3 | G840 C855 C865 R881 | G840-C853 VanDerWaalsContact CA-SG 3.57Å; G840-C853 WeakPolarHBondContact O-CB 3.42Å; G840-C853 PolarHBondContact O-N 3.32Å; G840-C853 PolarHBondContact O-SG 3.39Å; C853-C855 VanDerWaalsContact CB-SG 3.59Å; C853-C855 PolarHBondContact O-N 2.91Å; C853-C865 HydrophobicContact CB-CB 3.6Å; C853-C865 WeakPolarHBondContact CB-SG 2.87Å; C853-C865 WeakPolarHBondContact SG-CB 3.43Å; C853-C865 PolarHBondContact SG-N 2.76Å; C853-C865 CovalentContact SG-SG 2Å; C853-C865 PolarHBondContact SG-SG 2.93Å; C853-R881 VanDerWaalsContact O-CZ 3.27Å; C853-R881 PolarHBondContact O-NH1 3.09Å; C853-R881 PolarHBondContact O-NH2 3.48Å | ||
| 854 | D | 86.2 | Confident | 82 | Confident | 102 Ų | 102 | 58.8 Ų | 58.8 | 55% | 0.545 | 32% | 0.318 | S | S | . | . | trans | 50.2 | 41.1 | -177 | -65 | -26.2 | 0 | 0 | 0 | 112.3 | P852 N856 Q882 | P852-D854 VanDerWaalsContact C-N 3.25Å; P852-D854 PolarHBondContact O-N 3.21Å; D854-N856 PolarHBondContact O-N 3.26Å; D854-Q882 HydrophobicContact CB-CG 4.29Å; D854-Q882 VanDerWaalsContact CB-NE2 3.3Å; D854-Q882 WeakPolarHBondContact O-CB 3.37Å; D854-Q882 VanDerWaalsContact O-CG 3.24Å; D854-Q882 WeakPolarHBondContact O-CG 3.47Å | ||
| 855 | C | 85.8 | Confident | 82.2 | Confident | 19 Ų | 19 | 58.4 Ų | 58.4 | 13% | 0.128 | 32% | 0.319 | C | S | . | . | trans | -62.7 | 129.4 | 178.5 | -57.1 | 0 | 0 | 0 | 0 | 110.6 | C853 S857 A860 E863 C872 | C853-C855 VanDerWaalsContact CB-SG 3.59Å; C853-C855 PolarHBondContact O-N 2.91Å; C855-S857 PolarHBondContact O-N 3.39Å; C855-A860 HydrophobicContact CB-CB 3.68Å; C855-E863 PolarHBondContact SG-O 3.49Å; C855-C872 WeakPolarHBondContact CA-SG 3.36Å; C855-C872 HydrophobicContact CB-CB 3.74Å; C855-C872 WeakPolarHBondContact CB-SG 3.29Å; C855-C872 WeakPolarHBondContact SG-CB 3.48Å; C855-C872 CovalentContact SG-SG 2.01Å; C855-C872 PolarHBondContact SG-SG 2.89Å | ||
| 856 | N | 85.2 | Confident | 82.4 | Confident | 50 Ų | 50 | 56.2 Ų | 56.2 | 27% | 0.267 | 31% | 0.311 | S | S | . | . | trans | -65.5 | 116.4 | 174.2 | -177.9 | -50 | 0 | 0 | 0 | 109.4 | D854 V858 G859 A860 Q882 C883 D884 | D854-N856 PolarHBondContact O-N 3.26Å; N856-V858 PolarHBondContact O-N 2.97Å; N856-V858 WeakPolarHBondContact OD1-CB 3.36Å; N856-V858 PolarHBondContact OD1-N 2.85Å; N856-G859 PolarHBondContact O-N 3.4Å; N856-G859 VanDerWaalsContact O-N 3.12Å; N856-G859 PolarHBondContact OD1-N 2.9Å; N856-A860 VanDerWaalsContact O-CB 3.23Å; N856-A860 WeakPolarHBondContact O-CB 3.33Å; N856-A860 PolarHBondContact O-N 3.48Å; N856-Q882 VanDerWaalsContact CB-O 3.27Å; N856-Q882 WeakPolarHBondContact CB-O 3.22Å; N856-Q882 PolarHBondContact N-O 3.38Å; N856-C883 WeakPolarHBondContact CB-O 3.34Å; N856-D884 HydrophobicContact CB-CB 4.33Å | ||
| 857 | S | 82.4 | Confident | 82.2 | Confident | 93 Ų | 93 | 57 Ų | 57 | 65% | 0.65 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -18.2 | -175.1 | 59.5 | 0 | 0 | 0 | 0 | 115.1 | C855 | C855-S857 PolarHBondContact O-N 3.39Š|
| 858 | V | 81.3 | Confident | 82.4 | Confident | 49 Ų | 49 | 64.1 Ų | 64.1 | 30% | 0.297 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -40.9 | 176.1 | -173.9 | 0 | 0 | 0 | 0 | 111.2 | N856 R875 M893 T895 | N856-V858 PolarHBondContact O-N 2.97Å; N856-V858 WeakPolarHBondContact OD1-CB 3.36Å; N856-V858 PolarHBondContact OD1-N 2.85Å; V858-R875 WeakPolarHBondContact O-CD 3.44Å; V858-M893 HydrophobicContact CB-CE 4.36Å; V858-M893 HydrophobicContact CG1-CE 4.49Å; V858-M893 HydrophobicContact CG1-CG 4.13Å; V858-T895 HydrophobicContact CG1-CG2 4.26Å |
| 859 | G | 79.3 | Confident | 82.4 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | -23.3 | -174 | 0 | 0 | 0 | 0 | 0 | 114.8 | N856 R875 C883 | N856-G859 PolarHBondContact O-N 3.4Å; N856-G859 VanDerWaalsContact O-N 3.12Å; N856-G859 PolarHBondContact OD1-N 2.9Å; G859-R875 WeakPolarHBondContact O-CB 3.33Å; G859-R875 PolarHBondContact O-N 3.47Å; G859-C883 VanDerWaalsContact C-CB 3.5Å; G859-C883 WeakPolarHBondContact CA-O 3.43Å |
| 860 | A | 84 | Confident | 82.5 | Confident | 3 Ų | 3 | 60.1 Ų | 60.1 | 3% | 0.025 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 152.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | C855 N856 C872 E873 R875 C883 | C855-A860 HydrophobicContact CB-CB 3.68Å; N856-A860 VanDerWaalsContact O-CB 3.23Å; N856-A860 WeakPolarHBondContact O-CB 3.33Å; N856-A860 PolarHBondContact O-N 3.48Å; A860-C872 HydrophobicContact CB-CB 4.28Å; A860-E873 CarbonylContact C-O 3.4Å; A860-E873 WeakPolarHBondContact CA-O 3.43Å; A860-R875 PolarHBondContact O-NE 3.41Å; A860-C883 HydrophobicContact CB-CB 4.01Å |
| 861 | V | 81.2 | Confident | 82.5 | Confident | 64 Ų | 64 | 63.5 Ų | 63.5 | 39% | 0.388 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | -40.7 | 174.8 | 178 | 0 | 0 | 0 | 0 | 110.1 | E873 R875 | V861-E873 HydrophobicContact CB-CB 4.32Å; V861-E873 HydrophobicContact CB-CG 4.22Å; V861-E873 HydrophobicContact CG2-CB 4.49Å; V861-E873 HydrophobicContact CG2-CG 4Å; V861-E873 PolarHBondContact N-O 3.35Å; V861-R875 HydrophobicContact CG2-CG 3.83Å |
| 862 | Q | 82.9 | Confident | 82.7 | Confident | 104 Ų | 104 | 58.1 Ų | 58.1 | 49% | 0.486 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 167.6 | -178.7 | 61.9 | -174.6 | 33.1 | 0 | 0 | 111.1 | S864 | Q862-S864 VanDerWaalsContact C-N 3.34Å |
| 863 | E | 79.2 | Confident | 82.8 | Confident | 156 Ų | 156 | 61.4 Ų | 61.4 | 73% | 0.729 | 32% | 0.321 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.5 | -17.4 | 179.4 | -69.4 | -174.9 | 168.9 | 0 | 0 | 113.8 | C855 | C855-E863 PolarHBondContact SG-O 3.49Å |
| 864 | S | 80.2 | Confident | 82.9 | Confident | 27 Ų | 27 | 62.9 Ų | 62.9 | 19% | 0.189 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 147.3 | 175.3 | -56.5 | 0 | 0 | 0 | 0 | 112.1 | D839 Q862 | D839-S864 WeakPolarHBondContact OD1-CB 3.39Å; D839-S864 PolarHBondContact OD1-OG 3.01Å; Q862-S864 VanDerWaalsContact C-N 3.34Å |
| 865 | C | 85.2 | Confident | 82.7 | Confident | 22 Ų | 22 | 61.4 Ų | 61.4 | 15% | 0.149 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 170.4 | 180 | 70.1 | 0 | 0 | 0 | 0 | 112.2 | C853 D867 G870 Q871 C872 | C853-C865 HydrophobicContact CB-CB 3.6Å; C853-C865 WeakPolarHBondContact CB-SG 2.87Å; C853-C865 WeakPolarHBondContact SG-CB 3.43Å; C853-C865 PolarHBondContact SG-N 2.76Å; C853-C865 CovalentContact SG-SG 2Å; C853-C865 PolarHBondContact SG-SG 2.93Å; C865-D867 PolarHBondContact O-N 3.29Å; C865-G870 WeakPolarHBondContact CB-O 3.35Å; C865-G870 VanDerWaalsContact SG-CA 3.59Å; C865-G870 PolarHBondContact SG-O 2.89Å; C865-Q871 WeakPolarHBondContact CB-O 3.38Å; C865-C872 HydrophobicContact CB-CB 4.32Å |
| 866 | D | 82.3 | Confident | 82.5 | Confident | 68 Ų | 68 | 64.6 Ų | 64.6 | 36% | 0.364 | 34% | 0.338 | S | S | . | . | trans | -58.5 | 124.6 | 173 | 178.9 | -94.7 | 0 | 0 | 0 | 111.1 | Y842 R868 T869 G870 Q871 | Y842-D866 WeakPolarHBondContact CB-O 3.3Å; D866-R868 PolarHBondContact O-N 2.99Å; D866-R868 PolarHBondContact OD1-N 3.38Å; D866-T869 WeakPolarHBondContact CB-OG1 3.4Å; D866-T869 VanDerWaalsContact CG-OG1 3.27Å; D866-T869 WeakPolarHBondContact OD1-CB 3.42Å; D866-T869 WeakPolarHBondContact OD1-CG2 3.13Å; D866-T869 PolarHBondContact OD1-N 2.9Å; D866-T869 PolarHBondContact OD1-OG1 3.48Å; D866-G870 WeakPolarHBondContact O-CA 3.31Å; D866-G870 PolarHBondContact O-N 3.33Å; D866-Q871 HydrophobicContact CB-CB 4.25Å; D866-Q871 PolarHBondContact N-O 3.02Å | ||
| 867 | D | 74.7 | Confident | 82.4 | Confident | 89 Ų | 89 | 64.4 Ų | 64.4 | 48% | 0.476 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -26.5 | -171.7 | 63.9 | -13.5 | 0 | 0 | 0 | 114.1 | Y842 G843 C865 | Y842-D867 CarbonylContact C-O 3.52Å; Y842-D867 WeakPolarHBondContact CA-O 3.45Å; G843-D867 PolarHBondContact N-O 3.15Å; C865-D867 PolarHBondContact O-N 3.29Å |
| 868 | R | 77.7 | Confident | 82.6 | Confident | 170 Ų | 170 | 60.4 Ų | 60.4 | 64% | 0.642 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | -52.4 | 179.2 | -70.7 | -164.9 | -73.7 | -173.9 | -4.5 | 112.5 | H845 D866 | H845-R868 PolarHBondContact CE1-O 3.39Å; H845-R868 PolarHBondContact ND1-O 3.46Å; D866-R868 PolarHBondContact O-N 2.99Å; D866-R868 PolarHBondContact OD1-N 3.38Å |
| 869 | T | 81.8 | Confident | 82.7 | Confident | 85 Ų | 85 | 60.8 Ų | 60.8 | 52% | 0.521 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | -19.4 | -171.5 | 62.9 | 0 | 0 | 0 | 0 | 113.3 | D866 Q871 | D866-T869 WeakPolarHBondContact CB-OG1 3.4Å; D866-T869 VanDerWaalsContact CG-OG1 3.27Å; D866-T869 WeakPolarHBondContact OD1-CB 3.42Å; D866-T869 WeakPolarHBondContact OD1-CG2 3.13Å; D866-T869 PolarHBondContact OD1-N 2.9Å; D866-T869 PolarHBondContact OD1-OG1 3.48Å; T869-Q871 PolarHBondContact O-N 2.92Å; T869-Q871 VanDerWaalsContact OG1-CB 3.31Å; T869-Q871 WeakPolarHBondContact OG1-CB 3.4Å; T869-Q871 PolarHBondContact OG1-N 3.39Å |
| 870 | G | 82.3 | Confident | 83 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 32% | 0.318 | C | S | . | . | trans | 75.6 | 8.4 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y842 C865 D866 C872 R881 | Y842-G870 VanDerWaalsContact CD1-CA 3.47Å; C865-G870 WeakPolarHBondContact CB-O 3.35Å; C865-G870 VanDerWaalsContact SG-CA 3.59Å; C865-G870 PolarHBondContact SG-O 2.89Å; D866-G870 WeakPolarHBondContact O-CA 3.31Å; D866-G870 PolarHBondContact O-N 3.33Å; G870-C872 PolarHBondContact O-N 3.13Å; G870-R881 WeakPolarHBondContact O-CG 3.38Å; G870-R881 PolarHBondContact O-NH1 3.31Å | ||
| 871 | Q | 88.3 | Confident | 83.1 | Confident | 74 Ų | 74 | 64.4 Ų | 64.4 | 35% | 0.346 | 33% | 0.328 | S | S | . | . | trans | -70.8 | 111.1 | -176.5 | -177.4 | 58 | 59.1 | 0 | 0 | 109.6 | C865 D866 T869 C874 G880 R881 | C865-Q871 WeakPolarHBondContact CB-O 3.38Å; D866-Q871 HydrophobicContact CB-CB 4.25Å; D866-Q871 PolarHBondContact N-O 3.02Å; T869-Q871 PolarHBondContact O-N 2.92Å; T869-Q871 VanDerWaalsContact OG1-CB 3.31Å; T869-Q871 WeakPolarHBondContact OG1-CB 3.4Å; T869-Q871 PolarHBondContact OG1-N 3.39Å; Q871-C874 PolarHBondContact NE2-SG 3.13Å; Q871-G880 PolarHBondContact NE2-O 3.38Å; Q871-R881 PolarHBondContact NE2-O 3.34Å | ||
| 872 | C | 87.4 | Confident | 83.5 | Confident | 2 Ų | 2 | 64.2 Ų | 64.2 | 1% | 0.014 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 148 | 170 | -61.8 | 0 | 0 | 0 | 0 | 109.7 | C855 A860 C865 G870 C874 R881 C883 | C855-C872 WeakPolarHBondContact CA-SG 3.36Å; C855-C872 HydrophobicContact CB-CB 3.74Å; C855-C872 WeakPolarHBondContact CB-SG 3.29Å; C855-C872 WeakPolarHBondContact SG-CB 3.48Å; C855-C872 CovalentContact SG-SG 2.01Å; C855-C872 PolarHBondContact SG-SG 2.89Å; A860-C872 HydrophobicContact CB-CB 4.28Å; C865-C872 HydrophobicContact CB-CB 4.32Å; G870-C872 PolarHBondContact O-N 3.13Å; C872-C874 PolarHBondContact O-N 3.35Å; C872-C874 PolarHBondContact O-SG 2.97Å; C872-R881 WeakPolarHBondContact CB-O 3.47Å; C872-R881 PolarHBondContact N-O 3.43Å; C872-R881 PolarHBondContact SG-O 2.85Å; C872-R881 VanDerWaalsContact SG-O 3.35Å; C872-C883 WeakPolarHBondContact CB-SG 3.02Å; C872-C883 PolarHBondContact O-SG 2.88Å |
| 873 | E | 87 | Confident | 83.8 | Confident | 111 Ų | 111 | 59.2 Ų | 59.2 | 52% | 0.519 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 105 | 172.8 | -171.2 | 177.8 | 178.4 | 0 | 0 | 108.7 | A860 V861 | A860-E873 CarbonylContact C-O 3.4Å; A860-E873 WeakPolarHBondContact CA-O 3.43Å; V861-E873 HydrophobicContact CB-CB 4.32Å; V861-E873 HydrophobicContact CB-CG 4.22Å; V861-E873 HydrophobicContact CG2-CB 4.49Å; V861-E873 HydrophobicContact CG2-CG 4Å; V861-E873 PolarHBondContact N-O 3.35Å |
| 874 | C | 86.4 | Confident | 84 | Confident | 33 Ų | 33 | 54.9 Ų | 54.9 | 22% | 0.223 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 137.7 | -177.1 | -59 | 0 | 0 | 0 | 0 | 111.1 | Q871 C872 V878 C883 | Q871-C874 PolarHBondContact NE2-SG 3.13Å; C872-C874 PolarHBondContact O-N 3.35Å; C872-C874 PolarHBondContact O-SG 2.97Å; C874-V878 HydrophobicContact CB-CB 4Å; C874-V878 HydrophobicContact CB-CG1 4.35Å; C874-V878 VanDerWaalsContact CB-O 3.24Å; C874-V878 WeakPolarHBondContact CB-O 3.42Å; C874-C883 WeakPolarHBondContact CA-SG 3.27Å; C874-C883 HydrophobicContact CB-CB 3.78Å; C874-C883 WeakPolarHBondContact CB-SG 3.23Å; C874-C883 PolarHBondContact N-SG 2.78Å; C874-C883 WeakPolarHBondContact SG-CA 3.35Å; C874-C883 WeakPolarHBondContact SG-CB 3.26Å; C874-C883 CovalentContact SG-SG 2.04Å; C874-C883 PolarHBondContact SG-SG 3.12Å |
| 875 | R | 82.4 | Confident | 84.2 | Confident | 70 Ų | 70 | 58.8 Ų | 58.8 | 26% | 0.264 | 30% | 0.296 | S | S | . | . | P | Polyproline II helix | trans | -57.7 | 159.7 | 167.1 | -71.9 | 179.8 | -175.9 | -86.2 | -11.9 | 110.1 | V858 G859 A860 V861 N877 V878 T895 | V858-R875 WeakPolarHBondContact O-CD 3.44Å; G859-R875 WeakPolarHBondContact O-CB 3.33Å; G859-R875 PolarHBondContact O-N 3.47Å; A860-R875 PolarHBondContact O-NE 3.41Å; V861-R875 HydrophobicContact CG2-CG 3.83Å; R875-N877 PolarHBondContact O-N 3.13Å; R875-N877 VanDerWaalsContact O-N 3.16Å; R875-V878 HydrophobicContact CB-CG2 4.42Å; R875-V878 WeakPolarHBondContact O-CB 3.13Å; R875-V878 PolarHBondContact O-N 3.43Å; R875-T895 VanDerWaalsContact CZ-O 3.28Å; R875-T895 PolarHBondContact NE-O 2.84Å; R875-T895 PolarHBondContact NH1-O 3.47Å |
| 876 | P | 81.4 | Confident | 84 | Confident | 86 Ų | 86 | 59.6 Ų | 59.6 | 56% | 0.558 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46.1 | 126.5 | -178 | -30.6 | 36.4 | 0 | 0 | 0 | 112.5 | V878 G898 C899 | P876-V878 VanDerWaalsContact C-N 3.29Å; P876-V878 PolarHBondContact O-N 2.85Å; P876-G898 WeakPolarHBondContact O-CA 3.42Å; P876-C899 PolarHBondContact O-N 3.41Å; P876-C899 VanDerWaalsContact O-N 3.08Å |
| 877 | N | 83 | Confident | 83.8 | Confident | 47 Ų | 47 | 61.8 Ų | 61.8 | 25% | 0.251 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.9 | 17.3 | 176.9 | -39.6 | -53 | 0 | 0 | 0 | 117 | R875 R887 Y890 C899 | R875-N877 PolarHBondContact O-N 3.13Å; R875-N877 VanDerWaalsContact O-N 3.16Å; N877-R887 WeakPolarHBondContact O-CB 3.49Å; N877-R887 WeakPolarHBondContact O-CG 3.26Å; N877-R887 PolarHBondContact O-N 3.14Å; N877-Y890 HydrophobicContact CB-CD1 3.15Å; N877-Y890 HydrophobicContact CB-CD2 4.1Å; N877-Y890 HydrophobicContact CB-CE1 3.57Å; N877-Y890 HydrophobicContact CB-CE2 4.42Å; N877-Y890 HydrophobicContact CB-CG 3.48Å; N877-Y890 VanDerWaalsContact CB-CG 3.48Å; N877-Y890 WeakPolarHBondContact ND2-CD1 3.29Å; N877-Y890 VanDerWaalsContact ND2-CE1 3.32Å; N877-Y890 WeakPolarHBondContact ND2-CE1 3.42Å; N877-Y890 WeakPolarHBondContact OD1-CE1 3.38Å; N877-C899 HydrophobicContact CB-CB 4.1Å; N877-C899 WeakPolarHBondContact CB-O 2.93Å; N877-C899 PolarHBondContact ND2-O 3.38Å; N877-C899 WeakPolarHBondContact O-CB 3.04Å |
| 878 | V | 87.7 | Confident | 84 | Confident | 8 Ų | 8 | 61.3 Ų | 61.3 | 5% | 0.048 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 145.9 | 167.7 | -174.8 | 0 | 0 | 0 | 0 | 109.1 | C874 R875 P876 C883 Q885 M893 C899 | C874-V878 HydrophobicContact CB-CB 4Å; C874-V878 HydrophobicContact CB-CG1 4.35Å; C874-V878 VanDerWaalsContact CB-O 3.24Å; C874-V878 WeakPolarHBondContact CB-O 3.42Å; R875-V878 HydrophobicContact CB-CG2 4.42Å; R875-V878 WeakPolarHBondContact O-CB 3.13Å; R875-V878 PolarHBondContact O-N 3.43Å; P876-V878 VanDerWaalsContact C-N 3.29Å; P876-V878 PolarHBondContact O-N 2.85Å; V878-C883 VanDerWaalsContact CG1-C 3.42Å; V878-C883 HydrophobicContact CG1-CB 3.73Å; V878-C883 WeakPolarHBondContact CG1-O 3.35Å; V878-Q885 CarbonylContact C-O 2.9Å; V878-Q885 WeakPolarHBondContact CA-O 3.07Å; V878-Q885 WeakPolarHBondContact CG1-O 3.07Å; V878-M893 HydrophobicContact CG1-SD 3.84Å; V878-M893 HydrophobicContact CG2-CG 4.13Å; V878-M893 HydrophobicContact CG2-SD 3.96Å; V878-C899 HydrophobicContact CG2-CB 4.49Å |
| 879 | I | 83.1 | Confident | 83.9 | Confident | 57 Ų | 57 | 53.9 Ų | 53.9 | 29% | 0.292 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | -171.5 | 174.3 | 57 | 156.4 | 0 | 0 | 0 | 110.1 | C883 D884 Q885 R887 P888 | I879-C883 CarbonylContact O-C 3.35Å; I879-C883 WeakPolarHBondContact O-CA 3.39Å; I879-D884 PolarHBondContact O-N 3.46Å; I879-Q885 CarbonylContact C-O 3.4Å; I879-Q885 HydrophobicContact CG1-CB 4.2Å; I879-Q885 WeakPolarHBondContact CG1-O 3.4Å; I879-Q885 PolarHBondContact N-O 3.09Å; I879-Q885 PolarHBondContact O-N 3.1Å; I879-R887 HydrophobicContact CB-CG 4.21Å; I879-R887 HydrophobicContact CG1-CG 4.28Å; I879-R887 HydrophobicContact CG2-CB 4.43Å; I879-R887 HydrophobicContact CG2-CG 3.26Å; I879-P888 HydrophobicContact CD1-CG 4.34Å |
| 880 | G | 84.7 | Confident | 84 | Confident | 18 Ų | 18 | 53 Ų | 53 | 19% | 0.186 | 27% | 0.269 | C | S | . | . | S | Bend | trans | 91 | 147 | -165.6 | 0 | 0 | 0 | 0 | 0 | 107.5 | Q871 Q882 C883 | Q871-G880 PolarHBondContact NE2-O 3.38Å; G880-Q882 PolarHBondContact O-N 3.48Å; G880-C883 PolarHBondContact O-N 2.85Å |
| 881 | R | 86.6 | Confident | 84 | Confident | 62 Ų | 62 | 54.9 Ų | 54.9 | 23% | 0.234 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | -39.4 | 176.4 | -172.1 | -164.6 | 68.7 | 75.8 | -8.8 | 110.9 | Y842 C853 G870 Q871 C872 | Y842-R881 VanDerWaalsContact CE1-CZ 3.43Å; Y842-R881 WeakPolarHBondContact OH-CD 3.26Å; Y842-R881 VanDerWaalsContact OH-CZ 3.3Å; Y842-R881 PolarHBondContact OH-NE 2.74Å; Y842-R881 VanDerWaalsContact OH-NE 3.11Å; C853-R881 VanDerWaalsContact O-CZ 3.27Å; C853-R881 PolarHBondContact O-NH1 3.09Å; C853-R881 PolarHBondContact O-NH2 3.48Å; G870-R881 WeakPolarHBondContact O-CG 3.38Å; G870-R881 PolarHBondContact O-NH1 3.31Å; Q871-R881 PolarHBondContact NE2-O 3.34Å; C872-R881 WeakPolarHBondContact CB-O 3.47Å; C872-R881 PolarHBondContact N-O 3.43Å; C872-R881 PolarHBondContact SG-O 2.85Å; C872-R881 VanDerWaalsContact SG-O 3.35Å |
| 882 | Q | 88.8 | Confident | 83.7 | Confident | 59 Ų | 59 | 55.5 Ų | 55.5 | 28% | 0.276 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | 3.5 | -178.3 | -67.9 | 171.6 | -24.8 | 0 | 0 | 113.3 | D854 N856 G880 D884 | D854-Q882 HydrophobicContact CB-CG 4.29Å; D854-Q882 VanDerWaalsContact CB-NE2 3.3Å; D854-Q882 WeakPolarHBondContact O-CB 3.37Å; D854-Q882 VanDerWaalsContact O-CG 3.24Å; D854-Q882 WeakPolarHBondContact O-CG 3.47Å; N856-Q882 VanDerWaalsContact CB-O 3.27Å; N856-Q882 WeakPolarHBondContact CB-O 3.22Å; N856-Q882 PolarHBondContact N-O 3.38Å; G880-Q882 PolarHBondContact O-N 3.48Å; Q882-D884 VanDerWaalsContact C-N 3.31Å; Q882-D884 HydrophobicContact CB-CB 4.5Å; Q882-D884 PolarHBondContact O-N 3.22Å |
| 883 | C | 89.8 | Confident | 83.3 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 30% | 0.295 | C | S | . | . | S | Bend | trans | 56.7 | 41.9 | -172.7 | -49.7 | 0 | 0 | 0 | 0 | 113.5 | N856 G859 A860 C872 C874 V878 I879 G880 | N856-C883 WeakPolarHBondContact CB-O 3.34Å; G859-C883 VanDerWaalsContact C-CB 3.5Å; G859-C883 WeakPolarHBondContact CA-O 3.43Å; A860-C883 HydrophobicContact CB-CB 4.01Å; C872-C883 WeakPolarHBondContact CB-SG 3.02Å; C872-C883 PolarHBondContact O-SG 2.88Å; C874-C883 WeakPolarHBondContact CA-SG 3.27Å; C874-C883 HydrophobicContact CB-CB 3.78Å; C874-C883 WeakPolarHBondContact CB-SG 3.23Å; C874-C883 PolarHBondContact N-SG 2.78Å; C874-C883 WeakPolarHBondContact SG-CA 3.35Å; C874-C883 WeakPolarHBondContact SG-CB 3.26Å; C874-C883 CovalentContact SG-SG 2.04Å; C874-C883 PolarHBondContact SG-SG 3.12Å; V878-C883 VanDerWaalsContact CG1-C 3.42Å; V878-C883 HydrophobicContact CG1-CB 3.73Å; V878-C883 WeakPolarHBondContact CG1-O 3.35Å; I879-C883 CarbonylContact O-C 3.35Å; I879-C883 WeakPolarHBondContact O-CA 3.39Å; G880-C883 PolarHBondContact O-N 2.85Å |
| 884 | D | 83.7 | Confident | 82.9 | Confident | 64 Ų | 64 | 55 Ų | 55 | 34% | 0.342 | 28% | 0.284 | S | S | . | . | trans | -99.8 | -7.5 | -177.4 | 63.8 | -43.3 | 0 | 0 | 0 | 113.3 | N856 I879 Q882 | N856-D884 HydrophobicContact CB-CB 4.33Å; I879-D884 PolarHBondContact O-N 3.46Å; Q882-D884 VanDerWaalsContact C-N 3.31Å; Q882-D884 HydrophobicContact CB-CB 4.5Å; Q882-D884 PolarHBondContact O-N 3.22Å | ||
| 885 | Q | 84.1 | Confident | 82.2 | Confident | 110 Ų | 110 | 57.3 Ų | 57.3 | 51% | 0.514 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 140.3 | -172.8 | -63.6 | 176.9 | 18.7 | 0 | 0 | 111.1 | V878 I879 | V878-Q885 CarbonylContact C-O 2.9Å; V878-Q885 WeakPolarHBondContact CA-O 3.07Å; V878-Q885 WeakPolarHBondContact CG1-O 3.07Å; I879-Q885 CarbonylContact C-O 3.4Å; I879-Q885 HydrophobicContact CG1-CB 4.2Å; I879-Q885 WeakPolarHBondContact CG1-O 3.4Å; I879-Q885 PolarHBondContact N-O 3.09Å; I879-Q885 PolarHBondContact O-N 3.1Å |
| 886 | C | 81.8 | Confident | 81.7 | Confident | 38 Ų | 38 | 59.2 Ų | 59.2 | 26% | 0.257 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 145.9 | 169.5 | -67.1 | 0 | 0 | 0 | 0 | 110.8 | Y890 C899 | C886-Y890 WeakPolarHBondContact CB-O 3.39Å; C886-C899 WeakPolarHBondContact CA-SG 3.44Å; C886-C899 HydrophobicContact CB-CB 3.69Å; C886-C899 WeakPolarHBondContact CB-SG 3.46Å; C886-C899 WeakPolarHBondContact SG-CB 3.38Å; C886-C899 CovalentContact SG-SG 2.03Å; C886-C899 PolarHBondContact SG-SG 3.38Å |
| 887 | R | 78.1 | Confident | 81.2 | Confident | 115 Ų | 115 | 58.5 Ų | 58.5 | 43% | 0.434 | 32% | 0.315 | S | S | . | . | P | Polyproline II helix | trans | -51.3 | 144.2 | 169.4 | -84.5 | -170.1 | 79.2 | 146 | -1 | 109.5 | N877 I879 A889 Y890 | N877-R887 WeakPolarHBondContact O-CB 3.49Å; N877-R887 WeakPolarHBondContact O-CG 3.26Å; N877-R887 PolarHBondContact O-N 3.14Å; I879-R887 HydrophobicContact CB-CG 4.21Å; I879-R887 HydrophobicContact CG1-CG 4.28Å; I879-R887 HydrophobicContact CG2-CB 4.43Å; I879-R887 HydrophobicContact CG2-CG 3.26Å; R887-A889 PolarHBondContact O-N 3.27Å; R887-Y890 HydrophobicContact CB-CD2 3.54Å; R887-Y890 HydrophobicContact CB-CE2 4.19Å; R887-Y890 HydrophobicContact CB-CG 4.18Å; R887-Y890 WeakPolarHBondContact O-CB 3.45Å; R887-Y890 PolarHBondContact O-N 3.14Å |
| 888 | P | 78.4 | Confident | 81 | Confident | 78 Ų | 78 | 56.3 Ų | 56.3 | 51% | 0.506 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.4 | 122.4 | 165.2 | -25.2 | 33.7 | 0 | 0 | 0 | 107.6 | I879 Q913 | I879-P888 HydrophobicContact CD1-CG 4.34Å; P888-Q913 VanDerWaalsContact CA-CD 3.41Å |
| 889 | A | 75.6 | Confident | 80.8 | Confident | 14 Ų | 14 | 55.9 Ų | 55.9 | 12% | 0.116 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 91.6 | 15.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | R887 C902 S912 | R887-A889 PolarHBondContact O-N 3.27Å; A889-C902 WeakPolarHBondContact O-CB 3.34Å; A889-C902 PolarHBondContact O-N 2.83Å; A889-C902 PolarHBondContact O-SG 3.04Å; A889-S912 WeakPolarHBondContact CA-O 3.48Å; A889-S912 VanDerWaalsContact CB-CB 3.44Å; A889-S912 WeakPolarHBondContact CB-O 3.44Å |
| 890 | Y | 82.6 | Confident | 80.6 | Confident | 66 Ų | 66 | 57.1 Ų | 57.1 | 26% | 0.259 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 152.2 | 179.4 | -63.5 | -102.6 | 0 | 0 | 0 | 110.5 | N877 C886 R887 Q900 S901 C902 | N877-Y890 HydrophobicContact CB-CD1 3.15Å; N877-Y890 HydrophobicContact CB-CD2 4.1Å; N877-Y890 HydrophobicContact CB-CE1 3.57Å; N877-Y890 HydrophobicContact CB-CE2 4.42Å; N877-Y890 HydrophobicContact CB-CG 3.48Å; N877-Y890 VanDerWaalsContact CB-CG 3.48Å; N877-Y890 WeakPolarHBondContact ND2-CD1 3.29Å; N877-Y890 VanDerWaalsContact ND2-CE1 3.32Å; N877-Y890 WeakPolarHBondContact ND2-CE1 3.42Å; N877-Y890 WeakPolarHBondContact OD1-CE1 3.38Å; C886-Y890 WeakPolarHBondContact CB-O 3.39Å; R887-Y890 HydrophobicContact CB-CD2 3.54Å; R887-Y890 HydrophobicContact CB-CE2 4.19Å; R887-Y890 HydrophobicContact CB-CG 4.18Å; R887-Y890 WeakPolarHBondContact O-CB 3.45Å; R887-Y890 PolarHBondContact O-N 3.14Å; Y890-Q900 CarbonylContact C-O 3.48Å; Y890-Q900 WeakPolarHBondContact CA-O 3.41Å; Y890-Q900 WeakPolarHBondContact CB-O 3.18Å; Y890-S901 VanDerWaalsContact CD1-N 3.34Å; Y890-S901 VanDerWaalsContact CE1-CB 3.45Å; Y890-C902 PolarHBondContact N-SG 3.08Å; Y890-C902 VanDerWaalsContact N-SG 3.45Å |
| 891 | F | 83.7 | Confident | 80.5 | Confident | 40 Ų | 40 | 58 Ų | 58 | 18% | 0.175 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 170.9 | -176.4 | 76.5 | -71.3 | 0 | 0 | 0 | 111.4 | C899 Q900 C914 G918 | F891-C899 CarbonylContact O-C 3.57Å; F891-Q900 HydrophobicContact CD1-CB 4.47Å; F891-Q900 WeakPolarHBondContact CD1-O 3.45Å; F891-Q900 HydrophobicContact CE1-CB 4.17Å; F891-Q900 PolarHBondContact N-O 3.25Å; F891-Q900 PolarHBondContact O-N 2.58Å; F891-C914 VanDerWaalsContact CD1-SG 3.52Å; F891-G918 VanDerWaalsContact CE2-CA 3.49Å |
| 892 | N | 81.9 | Confident | 80.3 | Confident | 87 Ų | 87 | 55.2 Ų | 55.2 | 47% | 0.465 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 55.9 | 85.4 | 174.9 | -167.3 | 15.4 | 0 | 0 | 0 | 115 | ||
| 893 | M | 79.5 | Confident | 79.9 | Confident | 55 Ų | 55 | 57.6 Ų | 57.6 | 27% | 0.271 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 121 | -178.7 | -168.9 | 167 | 65.5 | 0 | 0 | 111.8 | V858 V878 G898 | V858-M893 HydrophobicContact CB-CE 4.36Å; V858-M893 HydrophobicContact CG1-CE 4.49Å; V858-M893 HydrophobicContact CG1-CG 4.13Å; V878-M893 HydrophobicContact CG1-SD 3.84Å; V878-M893 HydrophobicContact CG2-CG 4.13Å; V878-M893 HydrophobicContact CG2-SD 3.96Å; M893-G898 CarbonylContact C-O 3.52Å; M893-G898 VanDerWaalsContact CA-O 3.29Å; M893-G898 WeakPolarHBondContact CA-O 3.47Å |
| 894 | T | 78.2 | Confident | 79.6 | Confident | 47 Ų | 47 | 58.2 Ų | 58.2 | 29% | 0.288 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 150.4 | 178.9 | 58 | 0 | 0 | 0 | 0 | 111.3 | S896 V897 G898 | T894-S896 PolarHBondContact O-N 3.49Å; T894-V897 PolarHBondContact O-N 3.41Å; T894-G898 PolarHBondContact N-O 3.14Å; T894-G898 WeakPolarHBondContact O-CA 3.49Å; T894-G898 PolarHBondContact O-N 3.37Å |
| 895 | T | 71.7 | Confident | 79.3 | Confident | 83 Ų | 83 | 58.1 Ų | 58.1 | 51% | 0.509 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -30.2 | -178.4 | 13.6 | 0 | 0 | 0 | 0 | 113.3 | V858 R875 | V858-T895 HydrophobicContact CG1-CG2 4.26Å; R875-T895 VanDerWaalsContact CZ-O 3.28Å; R875-T895 PolarHBondContact NE-O 2.84Å; R875-T895 PolarHBondContact NH1-O 3.47Å |
| 896 | S | 70.9 | Confident | 78.6 | Confident | 109 Ų | 109 | 58.3 Ų | 58.3 | 76% | 0.762 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | -33.7 | -177.6 | -52.3 | 0 | 0 | 0 | 0 | 114.1 | T894 | T894-S896 PolarHBondContact O-N 3.49Š|
| 897 | V | 71.5 | Confident | 78.1 | Confident | 72 Ų | 72 | 60.1 Ų | 60.1 | 44% | 0.436 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.9 | -16.8 | -168.2 | -175.5 | 0 | 0 | 0 | 0 | 112.7 | T894 Q900 | T894-V897 PolarHBondContact O-N 3.41Å; V897-Q900 HydrophobicContact CG1-CG 4.35Å |
| 898 | G | 78.4 | Confident | 77.7 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 72.2 | -131.3 | -162.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | P876 M893 T894 | P876-G898 WeakPolarHBondContact O-CA 3.42Å; M893-G898 CarbonylContact C-O 3.52Å; M893-G898 VanDerWaalsContact CA-O 3.29Å; M893-G898 WeakPolarHBondContact CA-O 3.47Å; T894-G898 PolarHBondContact N-O 3.14Å; T894-G898 WeakPolarHBondContact O-CA 3.49Å; T894-G898 PolarHBondContact O-N 3.37Å |
| 899 | C | 84 | Confident | 77.7 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 143.9 | 175.6 | -60.3 | 0 | 0 | 0 | 0 | 112.5 | P876 N877 V878 C886 F891 | P876-C899 PolarHBondContact O-N 3.41Å; P876-C899 VanDerWaalsContact O-N 3.08Å; N877-C899 HydrophobicContact CB-CB 4.1Å; N877-C899 WeakPolarHBondContact CB-O 2.93Å; N877-C899 PolarHBondContact ND2-O 3.38Å; N877-C899 WeakPolarHBondContact O-CB 3.04Å; V878-C899 HydrophobicContact CG2-CB 4.49Å; C886-C899 WeakPolarHBondContact CA-SG 3.44Å; C886-C899 HydrophobicContact CB-CB 3.69Å; C886-C899 WeakPolarHBondContact CB-SG 3.46Å; C886-C899 WeakPolarHBondContact SG-CB 3.38Å; C886-C899 CovalentContact SG-SG 2.03Å; C886-C899 PolarHBondContact SG-SG 3.38Å; F891-C899 CarbonylContact O-C 3.57Å |
| 900 | Q | 79 | Confident | 77.5 | Confident | 82 Ų | 82 | 56 Ų | 56 | 38% | 0.383 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 142.4 | 175.8 | -66.8 | 179.8 | -13.9 | 0 | 0 | 111.2 | Y890 F891 V897 C902 | Y890-Q900 CarbonylContact C-O 3.48Å; Y890-Q900 WeakPolarHBondContact CA-O 3.41Å; Y890-Q900 WeakPolarHBondContact CB-O 3.18Å; F891-Q900 HydrophobicContact CD1-CB 4.47Å; F891-Q900 WeakPolarHBondContact CD1-O 3.45Å; F891-Q900 HydrophobicContact CE1-CB 4.17Å; F891-Q900 PolarHBondContact N-O 3.25Å; F891-Q900 PolarHBondContact O-N 2.58Å; V897-Q900 HydrophobicContact CG1-CG 4.35Å; Q900-C902 PolarHBondContact O-N 3.28Å |
| 901 | S | 82 | Confident | 77 | Confident | 38 Ų | 38 | 55.2 Ų | 55.2 | 27% | 0.266 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 131.2 | 179.6 | -173.4 | 0 | 0 | 0 | 0 | 111 | Y890 N903 | Y890-S901 VanDerWaalsContact CD1-N 3.34Å; Y890-S901 VanDerWaalsContact CE1-CB 3.45Å; S901-N903 VanDerWaalsContact CB-OD1 3.27Å; S901-N903 WeakPolarHBondContact CB-OD1 3.1Å; S901-N903 PolarHBondContact O-N 3.47Å; S901-N903 PolarHBondContact OG-N 3.42Å; S901-N903 VanDerWaalsContact OG-N 3.1Å; S901-N903 PolarHBondContact OG-OD1 2.55Å |
| 902 | C | 83.2 | Confident | 76.8 | Confident | 2 Ų | 2 | 56 Ų | 56 | 1% | 0.014 | 31% | 0.313 | C | S | . | . | trans | -60.9 | -26.7 | 166.6 | -63.9 | 0 | 0 | 0 | 0 | 111.3 | A889 Y890 Q900 C904 C914 N930 | A889-C902 WeakPolarHBondContact O-CB 3.34Å; A889-C902 PolarHBondContact O-N 2.83Å; A889-C902 PolarHBondContact O-SG 3.04Å; Y890-C902 PolarHBondContact N-SG 3.08Å; Y890-C902 VanDerWaalsContact N-SG 3.45Å; Q900-C902 PolarHBondContact O-N 3.28Å; C902-C904 VanDerWaalsContact CB-SG 3.51Å; C902-C904 PolarHBondContact O-N 3.29Å; C902-C904 VanDerWaalsContact O-N 3.09Å; C902-C914 HydrophobicContact CB-CB 3.51Å; C902-C914 WeakPolarHBondContact CB-SG 3.37Å; C902-C914 WeakPolarHBondContact SG-CB 3.18Å; C902-C914 PolarHBondContact SG-N 2.92Å; C902-C914 CovalentContact SG-SG 2.02Å; C902-C914 PolarHBondContact SG-SG 3.49Å; C902-N930 PolarHBondContact O-OD1 3.32Å | ||
| 903 | N | 80.2 | Confident | 76.7 | Confident | 109 Ų | 109 | 55.1 Ų | 55.1 | 58% | 0.583 | 31% | 0.305 | S | S | * | . | trans | 52.2 | 28 | -175.5 | -77.7 | -17.9 | 0 | 0 | 0 | 114.4 | S901 H905 N930 | S901-N903 VanDerWaalsContact CB-OD1 3.27Å; S901-N903 WeakPolarHBondContact CB-OD1 3.1Å; S901-N903 PolarHBondContact O-N 3.47Å; S901-N903 PolarHBondContact OG-N 3.42Å; S901-N903 VanDerWaalsContact OG-N 3.1Å; S901-N903 PolarHBondContact OG-OD1 2.55Å; N903-H905 PolarHBondContact O-N 3.24Å; N903-N930 VanDerWaalsContact O-CB 3.3Å; N903-N930 WeakPolarHBondContact O-CB 3.28Å | ||
| 904 | C | 83.1 | Confident | 76.8 | Confident | 13 Ų | 13 | 53.4 Ų | 53.4 | 9% | 0.088 | 30% | 0.299 | C | S | . | . | trans | -58 | 127.1 | 176.3 | -56.8 | 0 | 0 | 0 | 0 | 111.3 | C902 I906 A909 S912 C920 N930 | C902-C904 VanDerWaalsContact CB-SG 3.51Å; C902-C904 PolarHBondContact O-N 3.29Å; C902-C904 VanDerWaalsContact O-N 3.09Å; C904-I906 PolarHBondContact O-N 2.79Å; C904-A909 HydrophobicContact CB-CB 3.59Å; C904-S912 PolarHBondContact SG-O 2.97Å; C904-C920 WeakPolarHBondContact CA-SG 3.33Å; C904-C920 HydrophobicContact CB-CB 3.84Å; C904-C920 WeakPolarHBondContact CB-SG 3.48Å; C904-C920 WeakPolarHBondContact SG-CB 3.25Å; C904-C920 CovalentContact SG-SG 2.01Å; C904-C920 PolarHBondContact SG-SG 3.26Å; C904-N930 CarbonylContact C-O 3.5Å; C904-N930 WeakPolarHBondContact CA-O 3.22Å | ||
| 905 | H | 77 | Confident | 76.9 | Confident | 62 Ų | 62 | 54.7 Ų | 54.7 | 29% | 0.287 | 30% | 0.304 | S | S | . | . | trans | -63.5 | 122.8 | -178.2 | -169.5 | -83.5 | 0 | 0 | 0 | 110.5 | N903 Y907 G908 A909 N930 C931 E932 L941 | N903-H905 PolarHBondContact O-N 3.24Å; H905-Y907 AromaticContact CE1-CD2 3.65Å; H905-Y907 PolarHBondContact ND1-N 2.81Å; H905-Y907 PolarHBondContact O-N 3.27Å; H905-G908 PolarHBondContact ND1-N 3.41Å; H905-G908 PolarHBondContact O-N 3.42Å; H905-A909 PolarHBondContact O-N 2.02Å; H905-N930 WeakPolarHBondContact CB-O 3.32Å; H905-N930 PolarHBondContact N-O 2.96Å; H905-C931 WeakPolarHBondContact CB-O 3.27Å; H905-E932 HydrophobicContact CB-CB 4.28Å; H905-L941 WeakPolarHBondContact CE1-CD2 3.05Å; H905-L941 VanDerWaalsContact CE1-CG 3.43Å; H905-L941 WeakPolarHBondContact CE1-CG 3.32Å; H905-L941 WeakPolarHBondContact ND1-CD2 3.35Å; H905-L941 WeakPolarHBondContact ND1-CG 3.35Å; H905-L941 WeakPolarHBondContact NE2-CD2 3.42Å | ||
| 906 | I | 69.3 | Low | 76.9 | Confident | 114 Ų | 114 | 60 Ų | 60 | 59% | 0.585 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | -26 | -170.2 | 56.1 | 170.3 | 0 | 0 | 0 | 114.3 | C904 | C904-I906 PolarHBondContact O-N 2.79Š|
| 907 | Y | 72.6 | Confident | 77 | Confident | 76 Ų | 76 | 61.5 Ų | 61.5 | 30% | 0.298 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.8 | -20 | 179.8 | -50.9 | -62.7 | 0 | 0 | 0 | 114.3 | H905 L941 Q942 | H905-Y907 AromaticContact CE1-CD2 3.65Å; H905-Y907 PolarHBondContact ND1-N 2.81Å; H905-Y907 PolarHBondContact O-N 3.27Å; Y907-L941 VanDerWaalsContact CB-C 3.46Å; Y907-L941 WeakPolarHBondContact CB-O 3.36Å; Y907-Q942 HydrophobicContact CD1-CB 4.17Å; Y907-Q942 HydrophobicContact CD1-CG 3.91Å; Y907-Q942 HydrophobicContact CD2-CB 3.6Å; Y907-Q942 HydrophobicContact CD2-CG 3.95Å; Y907-Q942 HydrophobicContact CE1-CB 4.26Å; Y907-Q942 HydrophobicContact CE1-CG 3.57Å; Y907-Q942 HydrophobicContact CE2-CB 3.69Å; Y907-Q942 VanDerWaalsContact CE2-CD 3.42Å; Y907-Q942 HydrophobicContact CE2-CG 3.61Å; Y907-Q942 HydrophobicContact CG-CB 3.88Å; Y907-Q942 HydrophobicContact CG-CG 4.11Å; Y907-Q942 VanDerWaalsContact CZ-CG 3.41Å; Y907-Q942 PolarHBondContact OH-NE2 2.84Å; Y907-Q942 PolarHBondContact OH-OE1 2.81Å; Y907-Q942 VanDerWaalsContact OH-OE1 3.04Å |
| 908 | G | 69.5 | Low | 77 | Confident | 1 Ų | 1 | 58.4 Ų | 58.4 | 1% | 0.01 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | -26.4 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | H905 K923 A926 C931 L941 | H905-G908 PolarHBondContact ND1-N 3.41Å; H905-G908 PolarHBondContact O-N 3.42Å; G908-K923 WeakPolarHBondContact O-CB 3.3Å; G908-K923 PolarHBondContact O-N 2.79Å; G908-A926 WeakPolarHBondContact O-CB 3.49Å; G908-C931 VanDerWaalsContact C-CB 3.45Å; G908-C931 WeakPolarHBondContact CA-O 3.34Å; G908-C931 WeakPolarHBondContact O-CB 3.26Å; G908-L941 VanDerWaalsContact CA-CD1 3.45Å |
| 909 | A | 79 | Confident | 77.1 | Confident | 4 Ų | 4 | 62.6 Ų | 62.6 | 3% | 0.033 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 141.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112 | C904 H905 S911 C920 I921 K923 C931 | C904-A909 HydrophobicContact CB-CB 3.59Å; H905-A909 PolarHBondContact O-N 2.02Å; A909-S911 WeakPolarHBondContact CB-O 3.29Å; A909-S911 PolarHBondContact O-N 3.35Å; A909-C920 HydrophobicContact CB-CB 4.36Å; A909-I921 CarbonylContact C-O 2.94Å; A909-I921 WeakPolarHBondContact CA-O 3.44Å; A909-K923 WeakPolarHBondContact O-CE 3.41Å; A909-C931 HydrophobicContact CB-CB 4.07Å |
| 910 | E | 70.5 | Confident | 77.1 | Confident | 117 Ų | 117 | 63 Ų | 63 | 55% | 0.547 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.1 | -37.7 | 179.9 | -80.8 | -168.9 | 158.4 | 0 | 0 | 111 | I921 K923 | E910-I921 HydrophobicContact CB-CG2 4.31Å; E910-I921 HydrophobicContact CG-CG2 4.25Å; E910-I921 PolarHBondContact N-O 3.13Å; E910-I921 VanDerWaalsContact OE2-CG2 3.31Å; E910-I921 WeakPolarHBondContact OE2-CG2 3.02Å; E910-K923 VanDerWaalsContact CA-CG 3.47Å; E910-K923 HydrophobicContact CB-CG 4.29Å; E910-K923 HydrophobicContact CG-CB 4.39Å; E910-K923 HydrophobicContact CG-CG 3.89Å |
| 911 | S | 72.7 | Confident | 77.2 | Confident | 49 Ų | 49 | 63.5 Ų | 63.5 | 34% | 0.343 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 164.2 | 168.6 | 71.6 | 0 | 0 | 0 | 0 | 107.4 | A909 Q913 | A909-S911 WeakPolarHBondContact CB-O 3.29Å; A909-S911 PolarHBondContact O-N 3.35Å; S911-Q913 PolarHBondContact O-N 3.49Å; S911-Q913 VanDerWaalsContact OG-CB 3.28Å; S911-Q913 WeakPolarHBondContact OG-CB 3.32Å; S911-Q913 WeakPolarHBondContact OG-CG 3.35Å; S911-Q913 PolarHBondContact OG-N 3.17Å; S911-Q913 VanDerWaalsContact OG-N 3.12Å |
| 912 | S | 78.3 | Confident | 77.2 | Confident | 57 Ų | 57 | 63.3 Ų | 63.3 | 40% | 0.399 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | -0.2 | 170.7 | -51.6 | 0 | 0 | 0 | 0 | 112.9 | A889 C904 | A889-S912 WeakPolarHBondContact CA-O 3.48Å; A889-S912 VanDerWaalsContact CB-CB 3.44Å; A889-S912 WeakPolarHBondContact CB-O 3.44Å; C904-S912 PolarHBondContact SG-O 2.97Å |
| 913 | Q | 80.4 | Confident | 76.6 | Confident | 67 Ų | 67 | 67 Ų | 67 | 31% | 0.313 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 136.4 | -178.7 | -53.4 | -43.9 | -56.5 | 0 | 0 | 113 | P888 S911 | P888-Q913 VanDerWaalsContact CA-CD 3.41Å; S911-Q913 PolarHBondContact O-N 3.49Å; S911-Q913 VanDerWaalsContact OG-CB 3.28Å; S911-Q913 WeakPolarHBondContact OG-CB 3.32Å; S911-Q913 WeakPolarHBondContact OG-CG 3.35Å; S911-Q913 PolarHBondContact OG-N 3.17Å; S911-Q913 VanDerWaalsContact OG-N 3.12Å |
| 914 | C | 82.4 | Confident | 76.3 | Confident | 19 Ų | 19 | 65.9 Ų | 65.9 | 13% | 0.128 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 162.5 | 165 | 63.7 | 0 | 0 | 0 | 0 | 111.4 | F891 C902 G918 Q919 | F891-C914 VanDerWaalsContact CD1-SG 3.52Å; C902-C914 HydrophobicContact CB-CB 3.51Å; C902-C914 WeakPolarHBondContact CB-SG 3.37Å; C902-C914 WeakPolarHBondContact SG-CB 3.18Å; C902-C914 PolarHBondContact SG-N 2.92Å; C902-C914 CovalentContact SG-SG 2.02Å; C902-C914 PolarHBondContact SG-SG 3.49Å; C914-G918 VanDerWaalsContact SG-CA 3.57Å; C914-Q919 CarbonylContact C-O 3.56Å; C914-Q919 VanDerWaalsContact CA-O 3.28Å; C914-Q919 WeakPolarHBondContact CA-O 3.21Å; C914-Q919 VanDerWaalsContact CB-C 3.47Å; C914-Q919 VanDerWaalsContact CB-O 3.32Å; C914-Q919 WeakPolarHBondContact CB-O 3.15Å |
| 915 | N | 79.4 | Confident | 75.9 | Confident | 74 Ų | 74 | 69.6 Ų | 69.6 | 40% | 0.396 | 36% | 0.356 | S | S | . | . | trans | -71.5 | 178.3 | 171.4 | 70.3 | 19.2 | 0 | 0 | 0 | 111.4 | N917 G918 Q919 | N915-N917 PolarHBondContact O-N 2.93Å; N915-N917 WeakPolarHBondContact OD1-CA 3.31Å; N915-N917 WeakPolarHBondContact OD1-CB 3.17Å; N915-N917 PolarHBondContact OD1-N 3.35Å; N915-G918 PolarHBondContact O-N 2.04Å; N915-G918 PolarHBondContact OD1-N 2.73Å; N915-Q919 PolarHBondContact N-O 2.79Å; N915-Q919 PolarHBondContact OD1-N 3.43Å | ||
| 916 | K | 71.2 | Confident | 75.9 | Confident | 195 Ų | 195 | 67 Ų | 67 | 85% | 0.848 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -18.8 | -177.9 | -50.1 | -175.6 | -175 | -176 | 0 | 114.1 | ||
| 917 | N | 73.3 | Confident | 76.5 | Confident | 141 Ų | 141 | 64 Ų | 64 | 75% | 0.754 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.6 | 1.2 | -178.2 | -59.2 | -4.1 | 0 | 0 | 0 | 113.1 | N915 | N915-N917 PolarHBondContact O-N 2.93Å; N915-N917 WeakPolarHBondContact OD1-CA 3.31Å; N915-N917 WeakPolarHBondContact OD1-CB 3.17Å; N915-N917 PolarHBondContact OD1-N 3.35Å |
| 918 | G | 72.5 | Confident | 76.9 | Confident | 7 Ų | 7 | 61.7 Ų | 61.7 | 7% | 0.072 | 33% | 0.332 | C | S | . | . | S | Bend | trans | 90.4 | 1.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | F891 C914 N915 | F891-G918 VanDerWaalsContact CE2-CA 3.49Å; C914-G918 VanDerWaalsContact SG-CA 3.57Å; N915-G918 PolarHBondContact O-N 2.04Å; N915-G918 PolarHBondContact OD1-N 2.73Å |
| 919 | Q | 79.3 | Confident | 77.3 | Confident | 88 Ų | 88 | 65.3 Ų | 65.3 | 41% | 0.411 | 35% | 0.354 | S | S | . | . | trans | -86 | 121.3 | -179.1 | -169.3 | 90.5 | 25.6 | 0 | 0 | 111 | C914 N915 | C914-Q919 CarbonylContact C-O 3.56Å; C914-Q919 VanDerWaalsContact CA-O 3.28Å; C914-Q919 WeakPolarHBondContact CA-O 3.21Å; C914-Q919 VanDerWaalsContact CB-C 3.47Å; C914-Q919 VanDerWaalsContact CB-O 3.32Å; C914-Q919 WeakPolarHBondContact CB-O 3.15Å; N915-Q919 PolarHBondContact N-O 2.79Å; N915-Q919 PolarHBondContact OD1-N 3.43Å | ||
| 920 | C | 84.5 | Confident | 77.3 | Confident | 8 Ų | 8 | 67.3 Ų | 67.3 | 5% | 0.054 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 145.4 | 177.7 | -62 | 0 | 0 | 0 | 0 | 112.1 | C904 A909 C922 V929 C931 | C904-C920 WeakPolarHBondContact CA-SG 3.33Å; C904-C920 HydrophobicContact CB-CB 3.84Å; C904-C920 WeakPolarHBondContact CB-SG 3.48Å; C904-C920 WeakPolarHBondContact SG-CB 3.25Å; C904-C920 CovalentContact SG-SG 2.01Å; C904-C920 PolarHBondContact SG-SG 3.26Å; A909-C920 HydrophobicContact CB-CB 4.36Å; C920-C922 PolarHBondContact O-N 3.32Å; C920-V929 WeakPolarHBondContact CB-O 3.49Å; C920-V929 PolarHBondContact N-O 3.07Å; C920-C931 WeakPolarHBondContact CB-SG 3.38Å |
| 921 | I | 80.7 | Confident | 78.1 | Confident | 92 Ų | 92 | 61.8 Ų | 61.8 | 47% | 0.472 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 112.1 | 169.6 | -59.5 | 163.5 | 0 | 0 | 0 | 107.2 | A909 E910 | A909-I921 CarbonylContact C-O 2.94Å; A909-I921 WeakPolarHBondContact CA-O 3.44Å; E910-I921 HydrophobicContact CB-CG2 4.31Å; E910-I921 HydrophobicContact CG-CG2 4.25Å; E910-I921 PolarHBondContact N-O 3.13Å; E910-I921 VanDerWaalsContact OE2-CG2 3.31Å; E910-I921 WeakPolarHBondContact OE2-CG2 3.02Å |
| 922 | C | 82.6 | Confident | 78.2 | Confident | 35 Ų | 35 | 63.4 Ų | 63.4 | 24% | 0.236 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 138.4 | -176.1 | -55.3 | 0 | 0 | 0 | 0 | 111.9 | C920 A926 C931 | C920-C922 PolarHBondContact O-N 3.32Å; C922-A926 HydrophobicContact CB-CB 4.07Å; C922-A926 WeakPolarHBondContact CB-O 3.09Å; C922-C931 WeakPolarHBondContact CA-SG 3.42Å; C922-C931 HydrophobicContact CB-CB 3.69Å; C922-C931 WeakPolarHBondContact CB-SG 3.43Å; C922-C931 PolarHBondContact N-SG 3.29Å; C922-C931 VanDerWaalsContact N-SG 3.4Å; C922-C931 WeakPolarHBondContact SG-CA 3.31Å; C922-C931 WeakPolarHBondContact SG-CB 3.29Å; C922-C931 CovalentContact SG-SG 2.04Å; C922-C931 PolarHBondContact SG-SG 3.38Å |
| 923 | K | 69.6 | Low | 78.2 | Confident | 80 Ų | 80 | 66.3 Ų | 66.3 | 35% | 0.348 | 35% | 0.347 | S | S | . | . | trans | -54.9 | 152.9 | 165.8 | -75 | -179.9 | -179.7 | 168.9 | 0 | 108.5 | G908 A909 E910 F925 A926 | G908-K923 WeakPolarHBondContact O-CB 3.3Å; G908-K923 PolarHBondContact O-N 2.79Å; A909-K923 WeakPolarHBondContact O-CE 3.41Å; E910-K923 VanDerWaalsContact CA-CG 3.47Å; E910-K923 HydrophobicContact CB-CG 4.29Å; E910-K923 HydrophobicContact CG-CB 4.39Å; E910-K923 HydrophobicContact CG-CG 3.89Å; K923-F925 PolarHBondContact O-N 3.27Å; K923-A926 PolarHBondContact O-N 3.38Å | ||
| 924 | P | 74.7 | Confident | 77.9 | Confident | 85 Ų | 85 | 64.7 Ų | 64.7 | 55% | 0.552 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -43.5 | 128 | 172.1 | -28.8 | 34.5 | 0 | 0 | 0 | 111 | A926 | P924-A926 VanDerWaalsContact C-N 3.32Å; P924-A926 PolarHBondContact O-N 2.6Å |
| 925 | F | 74.5 | Confident | 77.4 | Confident | 90 Ų | 90 | 68.4 Ų | 68.4 | 40% | 0.395 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70 | 9.2 | -179.5 | -35.6 | -64.8 | 0 | 0 | 0 | 117.4 | K923 C934 Q935 H938 C945 | K923-F925 PolarHBondContact O-N 3.27Å; F925-C934 CarbonylContact O-C 3.58Å; F925-C934 WeakPolarHBondContact O-CA 3.2Å; F925-Q935 HydrophobicContact CB-CB 4.28Å; F925-Q935 VanDerWaalsContact O-CB 3.3Å; F925-Q935 WeakPolarHBondContact O-CB 3.44Å; F925-Q935 PolarHBondContact O-N 3.17Å; F925-H938 HydrophobicContact CB-CB 4.03Å; F925-H938 VanDerWaalsContact CB-CD2 3.42Å; F925-H938 WeakPolarHBondContact CB-CD2 3.11Å; F925-H938 VanDerWaalsContact CB-CG 3.47Å; F925-H938 AromaticContact CD1-CD2 3.86Å; F925-H938 AromaticContact CD1-CE1 3.38Å; F925-H938 WeakPolarHBondContact CD1-CE1 3.37Å; F925-H938 AromaticContact CD1-ND1 3.99Å; F925-H938 AromaticContact CD1-NE2 3.3Å; F925-H938 VanDerWaalsContact CD1-NE2 3.3Å; F925-H938 WeakPolarHBondContact CD1-NE2 3.2Å; F925-H938 AromaticContact CD2-CD2 3.41Å; F925-H938 VanDerWaalsContact CD2-CD2 3.41Å; F925-H938 WeakPolarHBondContact CD2-CD2 3.02Å; F925-H938 AromaticContact CD2-NE2 3.43Å; F925-H938 WeakPolarHBondContact CD2-NE2 3.48Å; F925-H938 AromaticContact CE1-CE1 3.85Å; F925-H938 AromaticContact CE1-NE2 3.59Å; F925-H938 AromaticContact CE2-NE2 3.72Å; F925-H938 AromaticContact CG-CD2 3.26Å; F925-H938 WeakPolarHBondContact CG-CD2 3.38Å; F925-H938 AromaticContact CG-CE1 3.63Å; F925-H938 AromaticContact CG-CG 3.78Å; F925-H938 AromaticContact CG-ND1 3.96Å; F925-H938 AromaticContact CG-NE2 3.21Å; F925-H938 WeakPolarHBondContact CG-NE2 3.01Å; F925-H938 AromaticContact CZ-NE2 3.78Å; F925-C945 HydrophobicContact CB-CB 4Å; F925-C945 PolarHBondContact O-SG 3.01Å; F925-C945 VanDerWaalsContact O-SG 3.38Å |
| 926 | A | 76.6 | Confident | 76.3 | Confident | 7 Ų | 7 | 73.1 Ų | 73.1 | 6% | 0.058 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 144.3 | 163.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | G908 C922 K923 P924 C931 Q933 L941 | G908-A926 WeakPolarHBondContact O-CB 3.49Å; C922-A926 HydrophobicContact CB-CB 4.07Å; C922-A926 WeakPolarHBondContact CB-O 3.09Å; K923-A926 PolarHBondContact O-N 3.38Å; P924-A926 VanDerWaalsContact C-N 3.32Å; P924-A926 PolarHBondContact O-N 2.6Å; A926-C931 HydrophobicContact CB-CB 4.17Å; A926-Q933 CarbonylContact C-O 3.58Å; A926-Q933 WeakPolarHBondContact CA-O 3.4Å; A926-L941 HydrophobicContact CB-CD1 4.01Å |
| 927 | V | 81.9 | Confident | 75.5 | Confident | 52 Ų | 52 | 66.2 Ų | 66.2 | 32% | 0.315 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 166.8 | -176.7 | -61.4 | 0 | 0 | 0 | 0 | 110.7 | C931 E932 Q933 Q935 | V927-C931 CarbonylContact O-C 3.52Å; V927-C931 WeakPolarHBondContact O-CA 3.26Å; V927-E932 PolarHBondContact O-N 2.89Å; V927-Q933 HydrophobicContact CG2-CB 3.89Å; V927-Q933 PolarHBondContact N-O 3.41Å; V927-Q933 PolarHBondContact O-N 3.44Å; V927-Q935 HydrophobicContact CG1-CB 3.9Å; V927-Q935 HydrophobicContact CG1-CG 4.24Å |
| 928 | G | 81.1 | Confident | 75.1 | Confident | 27 Ų | 27 | 60.8 Ų | 60.8 | 28% | 0.278 | 32% | 0.321 | S | S | . | . | S | Bend | trans | 109.4 | 165.4 | -172.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | N930 C931 | G928-N930 PolarHBondContact O-N 3.23Å; G928-C931 PolarHBondContact O-N 3.5Å |
| 929 | V | 78.7 | Confident | 74.7 | Confident | 78 Ų | 78 | 65.3 Ų | 65.3 | 47% | 0.473 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -62.6 | -33.8 | 178 | -179.9 | 0 | 0 | 0 | 0 | 110.6 | C920 | C920-V929 WeakPolarHBondContact CB-O 3.49Å; C920-V929 PolarHBondContact N-O 3.07Å |
| 930 | N | 78.8 | Confident | 73.8 | Confident | 46 Ų | 46 | 65.1 Ų | 65.1 | 25% | 0.246 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -110.8 | 9.7 | -178.5 | -59.4 | -10.8 | 0 | 0 | 0 | 112.3 | C902 N903 C904 H905 G928 E932 | C902-N930 PolarHBondContact O-OD1 3.32Å; N903-N930 VanDerWaalsContact O-CB 3.3Å; N903-N930 WeakPolarHBondContact O-CB 3.28Å; C904-N930 CarbonylContact C-O 3.5Å; C904-N930 WeakPolarHBondContact CA-O 3.22Å; H905-N930 WeakPolarHBondContact CB-O 3.32Å; H905-N930 PolarHBondContact N-O 2.96Å; G928-N930 PolarHBondContact O-N 3.23Å; N930-E932 VanDerWaalsContact C-N 3.27Å; N930-E932 WeakPolarHBondContact CA-OE2 3.34Å; N930-E932 VanDerWaalsContact CB-OE2 3.25Å; N930-E932 WeakPolarHBondContact CB-OE2 3.39Å; N930-E932 PolarHBondContact N-OE2 3.37Å; N930-E932 PolarHBondContact O-N 3.03Å |
| 931 | C | 87.6 | Confident | 72.5 | Confident | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 34% | 0.341 | C | S | . | . | S | Bend | trans | 61.1 | 32.2 | -176.4 | -43.7 | 0 | 0 | 0 | 0 | 114 | H905 G908 A909 C920 C922 A926 V927 G928 | H905-C931 WeakPolarHBondContact CB-O 3.27Å; G908-C931 VanDerWaalsContact C-CB 3.45Å; G908-C931 WeakPolarHBondContact CA-O 3.34Å; G908-C931 WeakPolarHBondContact O-CB 3.26Å; A909-C931 HydrophobicContact CB-CB 4.07Å; C920-C931 WeakPolarHBondContact CB-SG 3.38Å; C922-C931 WeakPolarHBondContact CA-SG 3.42Å; C922-C931 HydrophobicContact CB-CB 3.69Å; C922-C931 WeakPolarHBondContact CB-SG 3.43Å; C922-C931 PolarHBondContact N-SG 3.29Å; C922-C931 VanDerWaalsContact N-SG 3.4Å; C922-C931 WeakPolarHBondContact SG-CA 3.31Å; C922-C931 WeakPolarHBondContact SG-CB 3.29Å; C922-C931 CovalentContact SG-SG 2.04Å; C922-C931 PolarHBondContact SG-SG 3.38Å; A926-C931 HydrophobicContact CB-CB 4.17Å; V927-C931 CarbonylContact O-C 3.52Å; V927-C931 WeakPolarHBondContact O-CA 3.26Å; G928-C931 PolarHBondContact O-N 3.5Å |
| 932 | E | 74.5 | Confident | 71.6 | Confident | 83 Ų | 83 | 67.2 Ų | 67.2 | 39% | 0.388 | 35% | 0.346 | S | S | . | . | trans | -83.7 | -7 | -174 | 69.7 | -77.8 | -173.8 | 0 | 0 | 114.5 | H905 V927 N930 L941 | H905-E932 HydrophobicContact CB-CB 4.28Å; V927-E932 PolarHBondContact O-N 2.89Å; N930-E932 VanDerWaalsContact C-N 3.27Å; N930-E932 WeakPolarHBondContact CA-OE2 3.34Å; N930-E932 VanDerWaalsContact CB-OE2 3.25Å; N930-E932 WeakPolarHBondContact CB-OE2 3.39Å; N930-E932 PolarHBondContact N-OE2 3.37Å; N930-E932 PolarHBondContact O-N 3.03Å; E932-L941 WeakPolarHBondContact O-CD2 3.41Å | ||
| 933 | Q | 78.4 | Confident | 70.4 | Confident | 118 Ų | 118 | 67.7 Ų | 67.7 | 55% | 0.551 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 148 | 179.2 | -69.3 | 172.4 | 3.3 | 0 | 0 | 110 | A926 V927 | A926-Q933 CarbonylContact C-O 3.58Å; A926-Q933 WeakPolarHBondContact CA-O 3.4Å; V927-Q933 HydrophobicContact CG2-CB 3.89Å; V927-Q933 PolarHBondContact N-O 3.41Å; V927-Q933 PolarHBondContact O-N 3.44Å |
| 934 | C | 74 | Confident | 69.7 | Low | 34 Ų | 34 | 65.6 Ų | 65.6 | 23% | 0.23 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 140.7 | 163.4 | -68.6 | 0 | 0 | 0 | 0 | 109.1 | F925 H938 C945 | F925-C934 CarbonylContact O-C 3.58Å; F925-C934 WeakPolarHBondContact O-CA 3.2Å; C934-H938 HydrophobicContact CB-CB 4.01Å; C934-H938 VanDerWaalsContact CB-O 3.25Å; C934-H938 WeakPolarHBondContact CB-O 3.44Å; C934-C945 WeakPolarHBondContact CA-SG 3.38Å; C934-C945 HydrophobicContact CB-CB 3.98Å; C934-C945 WeakPolarHBondContact CB-SG 2.98Å; C934-C945 WeakPolarHBondContact SG-CA 3.09Å; C934-C945 WeakPolarHBondContact SG-CB 3.49Å; C934-C945 CovalentContact SG-SG 2.06Å; C934-C945 PolarHBondContact SG-SG 3.43Å |
| 935 | Q | 72.4 | Confident | 69.1 | Low | 96 Ų | 96 | 61.6 Ų | 61.6 | 45% | 0.449 | 33% | 0.327 | S | S | . | . | P | Polyproline II helix | trans | -52.5 | 149.1 | 163 | -167.3 | 174.8 | -30.1 | 0 | 0 | 108.6 | F925 V927 N937 H938 | F925-Q935 HydrophobicContact CB-CB 4.28Å; F925-Q935 VanDerWaalsContact O-CB 3.3Å; F925-Q935 WeakPolarHBondContact O-CB 3.44Å; F925-Q935 PolarHBondContact O-N 3.17Å; V927-Q935 HydrophobicContact CG1-CB 3.9Å; V927-Q935 HydrophobicContact CG1-CG 4.24Å; Q935-N937 PolarHBondContact O-N 3.03Å; Q935-H938 WeakPolarHBondContact O-CB 3.29Å; Q935-H938 PolarHBondContact O-N 3.47Å; Q935-H938 VanDerWaalsContact O-N 3.12Å |
| 936 | E | 55.5 | Low | 68.3 | Low | 173 Ų | 173 | 60.6 Ų | 60.6 | 81% | 0.808 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.3 | 145.5 | 178.8 | -73.5 | -172.6 | 157 | 0 | 0 | 112.6 | H938 | E936-H938 PolarHBondContact O-N 3.3Å; E936-H938 PolarHBondContact O-ND1 2.87Å; E936-H938 VanDerWaalsContact O-ND1 3.1Å |
| 937 | N | 55.1 | Low | 67 | Low | 51 Ų | 51 | 63.2 Ų | 63.2 | 27% | 0.273 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.3 | 13.4 | -174.3 | -56.5 | -28.9 | 0 | 0 | 0 | 116.9 | Q935 C948 Y952 N953 | Q935-N937 PolarHBondContact O-N 3.03Å; N937-C948 WeakPolarHBondContact O-CB 3.41Å; N937-C948 PolarHBondContact O-N 3.19Å; N937-C948 PolarHBondContact O-SG 3.32Å; N937-C948 VanDerWaalsContact O-SG 3.4Å; N937-Y952 HydrophobicContact CB-CD1 4.3Å; N937-Y952 HydrophobicContact CB-CE1 4.32Å; N937-Y952 VanDerWaalsContact OD1-CE1 3.3Å; N937-Y952 WeakPolarHBondContact OD1-CE1 3.05Å; N937-N953 WeakPolarHBondContact CB-OD1 3.3Å |
| 938 | H | 65 | Low | 65.7 | Low | 27 Ų | 27 | 61.6 Ų | 61.6 | 13% | 0.125 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 141.9 | 167.9 | -60.5 | 70.9 | 0 | 0 | 0 | 108.8 | F925 C934 Q935 E936 C945 L946 P947 | F925-H938 HydrophobicContact CB-CB 4.03Å; F925-H938 VanDerWaalsContact CB-CD2 3.42Å; F925-H938 WeakPolarHBondContact CB-CD2 3.11Å; F925-H938 VanDerWaalsContact CB-CG 3.47Å; F925-H938 AromaticContact CD1-CD2 3.86Å; F925-H938 AromaticContact CD1-CE1 3.38Å; F925-H938 WeakPolarHBondContact CD1-CE1 3.37Å; F925-H938 AromaticContact CD1-ND1 3.99Å; F925-H938 AromaticContact CD1-NE2 3.3Å; F925-H938 VanDerWaalsContact CD1-NE2 3.3Å; F925-H938 WeakPolarHBondContact CD1-NE2 3.2Å; F925-H938 AromaticContact CD2-CD2 3.41Å; F925-H938 VanDerWaalsContact CD2-CD2 3.41Å; F925-H938 WeakPolarHBondContact CD2-CD2 3.02Å; F925-H938 AromaticContact CD2-NE2 3.43Å; F925-H938 WeakPolarHBondContact CD2-NE2 3.48Å; F925-H938 AromaticContact CE1-CE1 3.85Å; F925-H938 AromaticContact CE1-NE2 3.59Å; F925-H938 AromaticContact CE2-NE2 3.72Å; F925-H938 AromaticContact CG-CD2 3.26Å; F925-H938 WeakPolarHBondContact CG-CD2 3.38Å; F925-H938 AromaticContact CG-CE1 3.63Å; F925-H938 AromaticContact CG-CG 3.78Å; F925-H938 AromaticContact CG-ND1 3.96Å; F925-H938 AromaticContact CG-NE2 3.21Å; F925-H938 WeakPolarHBondContact CG-NE2 3.01Å; F925-H938 AromaticContact CZ-NE2 3.78Å; C934-H938 HydrophobicContact CB-CB 4.01Å; C934-H938 VanDerWaalsContact CB-O 3.25Å; C934-H938 WeakPolarHBondContact CB-O 3.44Å; Q935-H938 WeakPolarHBondContact O-CB 3.29Å; Q935-H938 PolarHBondContact O-N 3.47Å; Q935-H938 VanDerWaalsContact O-N 3.12Å; E936-H938 PolarHBondContact O-N 3.3Å; E936-H938 PolarHBondContact O-ND1 2.87Å; E936-H938 VanDerWaalsContact O-ND1 3.1Å; H938-C945 HydrophobicContact CB-CB 3.9Å; H938-C945 PolarHBondContact CD2-O 2.99Å; H938-L946 CarbonylContact C-O 3.49Å; H938-L946 VanDerWaalsContact CA-O 3.28Å; H938-L946 WeakPolarHBondContact CA-O 3.44Å; H938-P947 WeakPolarHBondContact CD2-CA 3.27Å |
| 939 | Y | 63.4 | Low | 64.3 | Low | 102 Ų | 102 | 64.1 Ų | 64.1 | 40% | 0.4 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 163.5 | -177.4 | 76.5 | -68.8 | 0 | 0 | 0 | 109.7 | C945 L946 C948 | Y939-C945 CarbonylContact O-C 3.53Å; Y939-L946 HydrophobicContact CD1-CB 4.27Å; Y939-L946 VanDerWaalsContact CD1-O 3.28Å; Y939-L946 WeakPolarHBondContact CD1-O 3.4Å; Y939-L946 HydrophobicContact CE1-CB 3.86Å; Y939-L946 PolarHBondContact N-O 3.42Å; Y939-L946 PolarHBondContact O-N 3Å; Y939-C948 VanDerWaalsContact CD1-CA 3.48Å; Y939-C948 HydrophobicContact CD1-CB 4.09Å; Y939-C948 WeakPolarHBondContact CD1-SG 3.47Å; Y939-C948 VanDerWaalsContact CE1-CA 3.47Å; Y939-C948 HydrophobicContact CE1-CB 4.43Å |
| 940 | N | 60.4 | Low | 62.8 | Low | 84 Ų | 84 | 62.5 Ų | 62.5 | 45% | 0.449 | 34% | 0.339 | S | S | . | . | trans | 56.3 | 82.5 | 178.8 | -167.7 | -12 | 0 | 0 | 0 | 112.4 | Q942 A943 G944 C945 | N940-Q942 PolarHBondContact O-N 3.5Å; N940-Q942 WeakPolarHBondContact OD1-CB 3.4Å; N940-Q942 PolarHBondContact OD1-N 2.86Å; N940-A943 HydrophobicContact CB-CB 4.2Å; N940-A943 PolarHBondContact O-N 2.54Å; N940-A943 PolarHBondContact OD1-N 2.82Å; N940-A943 VanDerWaalsContact OD1-N 3.12Å; N940-G944 PolarHBondContact O-N 3.22Å; N940-C945 PolarHBondContact O-N 3.45Å; N940-C945 VanDerWaalsContact O-N 3.14Å | ||
| 941 | L | 57.5 | Low | 61.1 | Low | 22 Ų | 22 | 64.5 Ų | 64.5 | 12% | 0.115 | 36% | 0.356 | C | S | . | . | G | 310 helix | trans | -51.7 | -39.7 | 174.8 | -164.1 | 54.9 | 0 | 0 | 0 | 110.9 | H905 Y907 G908 A926 E932 A943 G944 C945 | H905-L941 WeakPolarHBondContact CE1-CD2 3.05Å; H905-L941 VanDerWaalsContact CE1-CG 3.43Å; H905-L941 WeakPolarHBondContact CE1-CG 3.32Å; H905-L941 WeakPolarHBondContact ND1-CD2 3.35Å; H905-L941 WeakPolarHBondContact ND1-CG 3.35Å; H905-L941 WeakPolarHBondContact NE2-CD2 3.42Å; Y907-L941 VanDerWaalsContact CB-C 3.46Å; Y907-L941 WeakPolarHBondContact CB-O 3.36Å; G908-L941 VanDerWaalsContact CA-CD1 3.45Å; A926-L941 HydrophobicContact CB-CD1 4.01Å; E932-L941 WeakPolarHBondContact O-CD2 3.41Å; L941-A943 VanDerWaalsContact C-N 3.32Å; L941-A943 PolarHBondContact O-N 3.26Å; L941-G944 WeakPolarHBondContact O-CA 3.2Å; L941-G944 PolarHBondContact O-N 2.91Å; L941-C945 WeakPolarHBondContact CD1-SG 3.37Å |
| 942 | Q | 60.6 | Low | 59 | Low | 122 Ų | 122 | 69.6 Ų | 69.6 | 57% | 0.57 | 38% | 0.376 | S | S | * | . | G | 310 helix | trans | -62.4 | -31.5 | 178.8 | -178.2 | 154.9 | -20.9 | 0 | 0 | 114.9 | Y907 N940 G944 | Y907-Q942 HydrophobicContact CD1-CB 4.17Å; Y907-Q942 HydrophobicContact CD1-CG 3.91Å; Y907-Q942 HydrophobicContact CD2-CB 3.6Å; Y907-Q942 HydrophobicContact CD2-CG 3.95Å; Y907-Q942 HydrophobicContact CE1-CB 4.26Å; Y907-Q942 HydrophobicContact CE1-CG 3.57Å; Y907-Q942 HydrophobicContact CE2-CB 3.69Å; Y907-Q942 VanDerWaalsContact CE2-CD 3.42Å; Y907-Q942 HydrophobicContact CE2-CG 3.61Å; Y907-Q942 HydrophobicContact CG-CB 3.88Å; Y907-Q942 HydrophobicContact CG-CG 4.11Å; Y907-Q942 VanDerWaalsContact CZ-CG 3.41Å; Y907-Q942 PolarHBondContact OH-NE2 2.84Å; Y907-Q942 PolarHBondContact OH-OE1 2.81Å; Y907-Q942 VanDerWaalsContact OH-OE1 3.04Å; N940-Q942 PolarHBondContact O-N 3.5Å; N940-Q942 WeakPolarHBondContact OD1-CB 3.4Å; N940-Q942 PolarHBondContact OD1-N 2.86Å; Q942-G944 VanDerWaalsContact C-N 3.26Å; Q942-G944 PolarHBondContact O-N 3.38Å |
| 943 | A | 58.2 | Low | 57.7 | Low | 44 Ų | 44 | 68 Ų | 68 | 36% | 0.364 | 37% | 0.37 | S | S | . | . | G | 310 helix | trans | -89.8 | 12.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | N940 L941 L946 | N940-A943 HydrophobicContact CB-CB 4.2Å; N940-A943 PolarHBondContact O-N 2.54Å; N940-A943 PolarHBondContact OD1-N 2.82Å; N940-A943 VanDerWaalsContact OD1-N 3.12Å; L941-A943 VanDerWaalsContact C-N 3.32Å; L941-A943 PolarHBondContact O-N 3.26Å; A943-L946 HydrophobicContact CB-CD1 3.4Å; A943-L946 HydrophobicContact CB-CD2 4.28Å; A943-L946 HydrophobicContact CB-CG 3.53Å; A943-L946 VanDerWaalsContact O-CD2 3.29Å; A943-L946 WeakPolarHBondContact O-CD2 3.42Å; A943-L946 WeakPolarHBondContact O-CG 3.46Å |
| 944 | G | 55.2 | Low | 56.1 | Low | 37 Ų | 37 | 65.4 Ų | 65.4 | 38% | 0.381 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.1 | 33.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | N940 L941 Q942 | N940-G944 PolarHBondContact O-N 3.22Å; L941-G944 WeakPolarHBondContact O-CA 3.2Å; L941-G944 PolarHBondContact O-N 2.91Å; Q942-G944 VanDerWaalsContact C-N 3.26Å; Q942-G944 PolarHBondContact O-N 3.38Å |
| 945 | C | 62.1 | Low | 54.8 | Low | 1 Ų | 1 | 67.1 Ų | 67.1 | 1% | 0.007 | 37% | 0.369 | C | S | . | . | S | Bend | trans | 47.2 | 63.7 | -168.2 | -75 | 0 | 0 | 0 | 0 | 109.6 | F925 C934 H938 Y939 N940 L941 | F925-C945 HydrophobicContact CB-CB 4Å; F925-C945 PolarHBondContact O-SG 3.01Å; F925-C945 VanDerWaalsContact O-SG 3.38Å; C934-C945 WeakPolarHBondContact CA-SG 3.38Å; C934-C945 HydrophobicContact CB-CB 3.98Å; C934-C945 WeakPolarHBondContact CB-SG 2.98Å; C934-C945 WeakPolarHBondContact SG-CA 3.09Å; C934-C945 WeakPolarHBondContact SG-CB 3.49Å; C934-C945 CovalentContact SG-SG 2.06Å; C934-C945 PolarHBondContact SG-SG 3.43Å; H938-C945 HydrophobicContact CB-CB 3.9Å; H938-C945 PolarHBondContact CD2-O 2.99Å; Y939-C945 CarbonylContact O-C 3.53Å; N940-C945 PolarHBondContact O-N 3.45Å; N940-C945 VanDerWaalsContact O-N 3.14Å; L941-C945 WeakPolarHBondContact CD1-SG 3.37Å |
| 946 | L | 57.4 | Low | 53.8 | Low | 69 Ų | 69 | 66 Ų | 66 | 36% | 0.361 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.2 | 131.9 | 177.9 | -69.3 | 175.2 | 0 | 0 | 0 | 107.8 | H938 Y939 A943 C948 | H938-L946 CarbonylContact C-O 3.49Å; H938-L946 VanDerWaalsContact CA-O 3.28Å; H938-L946 WeakPolarHBondContact CA-O 3.44Å; Y939-L946 HydrophobicContact CD1-CB 4.27Å; Y939-L946 VanDerWaalsContact CD1-O 3.28Å; Y939-L946 WeakPolarHBondContact CD1-O 3.4Å; Y939-L946 HydrophobicContact CE1-CB 3.86Å; Y939-L946 PolarHBondContact N-O 3.42Å; Y939-L946 PolarHBondContact O-N 3Å; A943-L946 HydrophobicContact CB-CD1 3.4Å; A943-L946 HydrophobicContact CB-CD2 4.28Å; A943-L946 HydrophobicContact CB-CG 3.53Å; A943-L946 VanDerWaalsContact O-CD2 3.29Å; A943-L946 WeakPolarHBondContact O-CD2 3.42Å; A943-L946 WeakPolarHBondContact O-CG 3.46Å; L946-C948 PolarHBondContact O-N 2.82Å; L946-C948 VanDerWaalsContact O-N 3.11Å |
| 947 | P | 49.4 | Very low | 53.5 | Low | 61 Ų | 61 | 60.6 Ų | 60.6 | 40% | 0.396 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -52.6 | 129.8 | 165 | 22.9 | -30.4 | 0 | 0 | 0 | 106 | H938 P949 | H938-P947 WeakPolarHBondContact CD2-CA 3.27Å; P947-P949 VanDerWaalsContact O-N 3.17Å |
| 948 | C | 53.5 | Low | 53.3 | Low | 19 Ų | 19 | 61.4 Ų | 61.4 | 13% | 0.128 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -44.7 | 132.6 | 164.6 | -70.5 | 0 | 0 | 0 | 0 | 106.4 | N937 Y939 L946 A950 Y952 | N937-C948 WeakPolarHBondContact O-CB 3.41Å; N937-C948 PolarHBondContact O-N 3.19Å; N937-C948 PolarHBondContact O-SG 3.32Å; N937-C948 VanDerWaalsContact O-SG 3.4Å; Y939-C948 VanDerWaalsContact CD1-CA 3.48Å; Y939-C948 HydrophobicContact CD1-CB 4.09Å; Y939-C948 WeakPolarHBondContact CD1-SG 3.47Å; Y939-C948 VanDerWaalsContact CE1-CA 3.47Å; Y939-C948 HydrophobicContact CE1-CB 4.43Å; L946-C948 PolarHBondContact O-N 2.82Å; L946-C948 VanDerWaalsContact O-N 3.11Å; C948-A950 PolarHBondContact O-N 3.09Å; C948-Y952 HydrophobicContact CB-CD1 3.3Å; C948-Y952 HydrophobicContact CB-CD2 4.41Å; C948-Y952 HydrophobicContact CB-CE1 4.19Å; C948-Y952 HydrophobicContact CB-CG 3.43Å; C948-Y952 VanDerWaalsContact CB-CG 3.43Å |
| 949 | P | 53.2 | Low | 52.9 | Low | 79 Ų | 79 | 63.5 Ų | 63.5 | 51% | 0.513 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -41.3 | 138.6 | -165.5 | -28.6 | 31.3 | 0 | 0 | 0 | 109.5 | P947 C951 Y952 | P947-P949 VanDerWaalsContact O-N 3.17Å; P949-C951 CarbonylContact O-C 3.35Å; P949-C951 VanDerWaalsContact O-C 3.3Å; P949-C951 WeakPolarHBondContact O-CA 3.09Å; P949-C951 PolarHBondContact O-N 3.4Å; P949-Y952 PolarHBondContact O-N 2.66Å |
| 950 | A | 46.7 | Very low | 52.6 | Low | 45 Ų | 45 | 61.6 Ų | 61.6 | 37% | 0.372 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -43.1 | -31.1 | -167.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | C948 Y952 N953 L954 | C948-A950 PolarHBondContact O-N 3.09Å; A950-Y952 PolarHBondContact O-N 3.21Å; A950-N953 PolarHBondContact O-N 3.13Å; A950-L954 HydrophobicContact CB-CD1 4.24Å; A950-L954 WeakPolarHBondContact O-CB 3.47Å; A950-L954 WeakPolarHBondContact O-CD1 3.45Å; A950-L954 WeakPolarHBondContact O-CG 3.25Å; A950-L954 PolarHBondContact O-N 3.41Å |
| 951 | C | 42.2 | Very low | 52.2 | Low | 88 Ų | 88 | 62.3 Ų | 62.3 | 60% | 0.595 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -41.1 | -52.8 | 161.8 | -171.6 | 0 | 0 | 0 | 0 | 114.6 | P949 V955 | P949-C951 CarbonylContact O-C 3.35Å; P949-C951 VanDerWaalsContact O-C 3.3Å; P949-C951 WeakPolarHBondContact O-CA 3.09Å; P949-C951 PolarHBondContact O-N 3.4Å; C951-V955 WeakPolarHBondContact O-CA 2.97Å; C951-V955 WeakPolarHBondContact O-CB 3.36Å; C951-V955 WeakPolarHBondContact O-CG2 3.23Å; C951-V955 PolarHBondContact O-N 2.76Å |
| 952 | Y | 44.7 | Very low | 51.7 | Low | 106 Ų | 106 | 65 Ų | 65 | 42% | 0.416 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -66.4 | -39.7 | 179.1 | -163.3 | -94.7 | 0 | 0 | 0 | 114.1 | N937 C948 P949 A950 V955 Q956 | N937-Y952 HydrophobicContact CB-CD1 4.3Å; N937-Y952 HydrophobicContact CB-CE1 4.32Å; N937-Y952 VanDerWaalsContact OD1-CE1 3.3Å; N937-Y952 WeakPolarHBondContact OD1-CE1 3.05Å; C948-Y952 HydrophobicContact CB-CD1 3.3Å; C948-Y952 HydrophobicContact CB-CD2 4.41Å; C948-Y952 HydrophobicContact CB-CE1 4.19Å; C948-Y952 HydrophobicContact CB-CG 3.43Å; C948-Y952 VanDerWaalsContact CB-CG 3.43Å; P949-Y952 PolarHBondContact O-N 2.66Å; A950-Y952 PolarHBondContact O-N 3.21Å; Y952-V955 PolarHBondContact O-N 3.29Å; Y952-Q956 HydrophobicContact CD1-CG 3.81Å; Y952-Q956 HydrophobicContact CE1-CG 3.61Å; Y952-Q956 HydrophobicContact CG-CG 4.5Å; Y952-Q956 WeakPolarHBondContact O-CB 3.04Å; Y952-Q956 WeakPolarHBondContact O-CG 3.3Å; Y952-Q956 PolarHBondContact O-N 3.46Å; Y952-Q956 PolarHBondContact OH-NE2 3.41Å |
| 953 | N | 46.2 | Very low | 51.1 | Low | 50 Ų | 50 | 66.8 Ų | 66.8 | 27% | 0.267 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -72.7 | -40.3 | 174.7 | -83.2 | -25.3 | 0 | 0 | 0 | 112.1 | N937 A950 V955 Q956 A957 | N937-N953 WeakPolarHBondContact CB-OD1 3.3Å; A950-N953 PolarHBondContact O-N 3.13Å; N953-V955 VanDerWaalsContact C-N 3.34Å; N953-Q956 PolarHBondContact O-N 3.06Å; N953-A957 WeakPolarHBondContact O-CB 3.44Å; N953-A957 PolarHBondContact O-N 3.36Å |
| 954 | L | 46.2 | Very low | 51 | Low | 63 Ų | 63 | 66.6 Ų | 66.6 | 33% | 0.33 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -59.3 | -49.6 | 169.7 | -70.9 | 165.7 | 0 | 0 | 0 | 108.7 | A950 R958 L1010 | A950-L954 HydrophobicContact CB-CD1 4.24Å; A950-L954 WeakPolarHBondContact O-CB 3.47Å; A950-L954 WeakPolarHBondContact O-CD1 3.45Å; A950-L954 WeakPolarHBondContact O-CG 3.25Å; A950-L954 PolarHBondContact O-N 3.41Å; L954-R958 WeakPolarHBondContact O-CA 3.39Å; L954-R958 WeakPolarHBondContact O-CB 3.27Å; L954-R958 WeakPolarHBondContact O-CG 3.42Å; L954-R958 PolarHBondContact O-N 2.66Å; L954-L1010 HydrophobicContact CD2-CD2 4.37Å |
| 955 | V | 46.5 | Very low | 51.1 | Low | 71 Ų | 71 | 66.7 Ų | 66.7 | 43% | 0.43 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -62 | -48.9 | 178.2 | 168.7 | 0 | 0 | 0 | 0 | 110.1 | C951 Y952 N953 R958 V959 | C951-V955 WeakPolarHBondContact O-CA 2.97Å; C951-V955 WeakPolarHBondContact O-CB 3.36Å; C951-V955 WeakPolarHBondContact O-CG2 3.23Å; C951-V955 PolarHBondContact O-N 2.76Å; Y952-V955 PolarHBondContact O-N 3.29Å; N953-V955 VanDerWaalsContact C-N 3.34Å; V955-R958 CarbonylContact O-C 3.57Å; V955-R958 PolarHBondContact O-N 3.39Å; V955-V959 HydrophobicContact CG1-CG2 3.75Å; V955-V959 WeakPolarHBondContact O-CA 3.21Å; V955-V959 WeakPolarHBondContact O-CB 3.49Å; V955-V959 WeakPolarHBondContact O-CG2 3.27Å; V955-V959 PolarHBondContact O-N 3.43Å |
| 956 | Q | 51.1 | Low | 50.5 | Low | 72 Ų | 72 | 70.9 Ų | 70.9 | 34% | 0.336 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -63.4 | -50.9 | 180 | -79.9 | -81.5 | -10.7 | 0 | 0 | 111.9 | Y952 N953 R958 V959 A960 | Y952-Q956 HydrophobicContact CD1-CG 3.81Å; Y952-Q956 HydrophobicContact CE1-CG 3.61Å; Y952-Q956 HydrophobicContact CG-CG 4.5Å; Y952-Q956 WeakPolarHBondContact O-CB 3.04Å; Y952-Q956 WeakPolarHBondContact O-CG 3.3Å; Y952-Q956 PolarHBondContact O-N 3.46Å; Y952-Q956 PolarHBondContact OH-NE2 3.41Å; N953-Q956 PolarHBondContact O-N 3.06Å; Q956-R958 VanDerWaalsContact C-N 3.28Å; Q956-R958 PolarHBondContact O-N 3.42Å; Q956-V959 PolarHBondContact O-N 2.87Å; Q956-A960 VanDerWaalsContact O-CB 3.25Å; Q956-A960 WeakPolarHBondContact O-CB 3.5Å; Q956-A960 PolarHBondContact O-N 3.09Å |
| 957 | A | 48.1 | Very low | 50.4 | Low | 59 Ų | 59 | 73.2 Ų | 73.2 | 49% | 0.488 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -64.5 | -34.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | N953 K961 | N953-A957 WeakPolarHBondContact O-CB 3.44Å; N953-A957 PolarHBondContact O-N 3.36Å; A957-K961 VanDerWaalsContact O-CB 3.26Å; A957-K961 WeakPolarHBondContact O-CB 3.38Å; A957-K961 PolarHBondContact O-N 2.9Å |
| 958 | R | 52.3 | Low | 50.8 | Low | 68 Ų | 68 | 73.8 Ų | 73.8 | 26% | 0.257 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -82.4 | -31.8 | 178.8 | -64.8 | -26.3 | 179.6 | 134.3 | 3.1 | 113.2 | L954 V955 Q956 L962 L1010 | L954-R958 WeakPolarHBondContact O-CA 3.39Å; L954-R958 WeakPolarHBondContact O-CB 3.27Å; L954-R958 WeakPolarHBondContact O-CG 3.42Å; L954-R958 PolarHBondContact O-N 2.66Å; V955-R958 CarbonylContact O-C 3.57Å; V955-R958 PolarHBondContact O-N 3.39Å; Q956-R958 VanDerWaalsContact C-N 3.28Å; Q956-R958 PolarHBondContact O-N 3.42Å; R958-L962 VanDerWaalsContact O-CB 3.22Å; R958-L962 WeakPolarHBondContact O-CB 3.28Å; R958-L962 WeakPolarHBondContact O-CD1 3.34Å; R958-L962 PolarHBondContact O-N 2.83Å; R958-L1010 HydrophobicContact CB-CD1 4.31Å; R958-L1010 HydrophobicContact CG-CD1 3.41Å; R958-L1010 VanDerWaalsContact CG-CD1 3.41Å; R958-L1010 HydrophobicContact CG-CD2 3.44Å; R958-L1010 VanDerWaalsContact CG-CD2 3.44Å; R958-L1010 HydrophobicContact CG-CG 3.95Å |
| 959 | V | 57 | Low | 50.9 | Low | 71 Ų | 71 | 74.3 Ų | 74.3 | 43% | 0.43 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -64.9 | -49.8 | 169.8 | 165.7 | 0 | 0 | 0 | 0 | 108 | V955 Q956 K961 L962 W963 | V955-V959 HydrophobicContact CG1-CG2 3.75Å; V955-V959 WeakPolarHBondContact O-CA 3.21Å; V955-V959 WeakPolarHBondContact O-CB 3.49Å; V955-V959 WeakPolarHBondContact O-CG2 3.27Å; V955-V959 PolarHBondContact O-N 3.43Å; Q956-V959 PolarHBondContact O-N 2.87Å; V959-K961 PolarHBondContact O-N 3.33Å; V959-L962 CarbonylContact O-C 3.58Å; V959-L962 PolarHBondContact O-N 3.24Å; V959-W963 VanDerWaalsContact O-CB 3.27Å; V959-W963 WeakPolarHBondContact O-CB 3.44Å; V959-W963 PolarHBondContact O-N 3.49Å |
| 960 | A | 55.2 | Low | 50.9 | Low | 62 Ų | 62 | 76 Ų | 76 | 51% | 0.512 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -60.3 | -44.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q956 W963 G964 | Q956-A960 VanDerWaalsContact O-CB 3.25Å; Q956-A960 WeakPolarHBondContact O-CB 3.5Å; Q956-A960 PolarHBondContact O-N 3.09Å; A960-W963 PolarHBondContact O-N 2.92Å; A960-G964 PolarHBondContact O-N 3.18Å |
| 961 | K | 53.5 | Low | 51 | Low | 99 Ų | 99 | 76 Ų | 76 | 43% | 0.43 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -65 | -42.8 | 174.9 | -166.4 | 179.7 | -176.7 | -169.6 | 0 | 111.9 | A957 V959 M965 T1006 | A957-K961 VanDerWaalsContact O-CB 3.26Å; A957-K961 WeakPolarHBondContact O-CB 3.38Å; A957-K961 PolarHBondContact O-N 2.9Å; V959-K961 PolarHBondContact O-N 3.33Å; K961-M965 HydrophobicContact CG-SD 4.24Å; K961-M965 WeakPolarHBondContact O-CB 3.4Å; K961-M965 VanDerWaalsContact O-CG 3.25Å; K961-M965 WeakPolarHBondContact O-CG 3.4Å; K961-M965 PolarHBondContact O-N 3.2Å; K961-M965 VanDerWaalsContact O-N 3.11Å; K961-T1006 HydrophobicContact CD-CG2 4.12Å |
| 962 | L | 46.6 | Very low | 51.4 | Low | 80 Ų | 80 | 75.4 Ų | 75.4 | 42% | 0.419 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -61.5 | -45.6 | 173.9 | -110.8 | 88 | 0 | 0 | 0 | 110.6 | R958 V959 M965 L966 L1003 | R958-L962 VanDerWaalsContact O-CB 3.22Å; R958-L962 WeakPolarHBondContact O-CB 3.28Å; R958-L962 WeakPolarHBondContact O-CD1 3.34Å; R958-L962 PolarHBondContact O-N 2.83Å; V959-L962 CarbonylContact O-C 3.58Å; V959-L962 PolarHBondContact O-N 3.24Å; L962-M965 CarbonylContact O-C 3.5Å; L962-M965 PolarHBondContact O-N 3.07Å; L962-L966 VanDerWaalsContact O-CB 3.25Å; L962-L966 WeakPolarHBondContact O-CB 3.45Å; L962-L966 PolarHBondContact O-N 3.45Å; L962-L1003 HydrophobicContact CG-CD1 4.27Å |
| 963 | W | 46.7 | Very low | 51.5 | Low | 158 Ų | 158 | 76.7 Ų | 76.7 | 60% | 0.598 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -63.4 | -46 | -176.8 | -123.6 | 82.4 | 0 | 0 | 0 | 111.2 | V959 A960 M965 L966 E967 | V959-W963 VanDerWaalsContact O-CB 3.27Å; V959-W963 WeakPolarHBondContact O-CB 3.44Å; V959-W963 PolarHBondContact O-N 3.49Å; A960-W963 PolarHBondContact O-N 2.92Å; W963-M965 VanDerWaalsContact C-N 3.34Å; W963-M965 PolarHBondContact O-N 3.23Å; W963-L966 WeakPolarHBondContact O-CB 3.46Å; W963-L966 PolarHBondContact O-N 3.35Å; W963-E967 HydrophobicContact CE3-CG 4.28Å; W963-E967 HydrophobicContact CZ3-CG 4.26Å; W963-E967 PolarHBondContact O-N 3.42Å |
| 964 | G | 57.1 | Low | 51.2 | Low | 41 Ų | 41 | 83 Ų | 83 | 42% | 0.423 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -63.1 | -38.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | A960 S968 | A960-G964 PolarHBondContact O-N 3.18Å; G964-S968 PolarHBondContact O-N 3.47Å |
| 965 | M | 57.3 | Low | 50.8 | Low | 39 Ų | 39 | 88.9 Ų | 88.9 | 19% | 0.192 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -70.3 | -35.5 | 173.8 | -67.9 | 177.3 | 82.7 | 0 | 0 | 111.8 | K961 L962 W963 S968 V969 R1002 L1003 | K961-M965 HydrophobicContact CG-SD 4.24Å; K961-M965 WeakPolarHBondContact O-CB 3.4Å; K961-M965 VanDerWaalsContact O-CG 3.25Å; K961-M965 WeakPolarHBondContact O-CG 3.4Å; K961-M965 PolarHBondContact O-N 3.2Å; K961-M965 VanDerWaalsContact O-N 3.11Å; L962-M965 CarbonylContact O-C 3.5Å; L962-M965 PolarHBondContact O-N 3.07Å; W963-M965 VanDerWaalsContact C-N 3.34Å; W963-M965 PolarHBondContact O-N 3.23Å; M965-S968 WeakPolarHBondContact O-CB 3.49Å; M965-S968 PolarHBondContact O-N 3.48Å; M965-V969 WeakPolarHBondContact O-CG2 3.44Å; M965-V969 PolarHBondContact O-N 3.35Å; M965-V969 VanDerWaalsContact O-N 3.08Å; M965-R1002 HydrophobicContact CE-CB 4Å; M965-L1003 HydrophobicContact CB-CD1 4.03Å; M965-L1003 HydrophobicContact CE-CB 4.05Å; M965-L1003 HydrophobicContact CE-CD1 3.88Å; M965-L1003 HydrophobicContact CG-CD1 4.47Å; M965-L1003 HydrophobicContact SD-CD1 3.66Å |
| 966 | L | 50.3 | Low | 50.1 | Low | 88 Ų | 88 | 88.6 Ų | 88.6 | 46% | 0.461 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -67.7 | -39.7 | 176.7 | -152.1 | 75.2 | 0 | 0 | 0 | 111.1 | L962 W963 V969 F970 | L962-L966 VanDerWaalsContact O-CB 3.25Å; L962-L966 WeakPolarHBondContact O-CB 3.45Å; L962-L966 PolarHBondContact O-N 3.45Å; W963-L966 WeakPolarHBondContact O-CB 3.46Å; W963-L966 PolarHBondContact O-N 3.35Å; L966-V969 PolarHBondContact O-N 3.26Å; L966-F970 HydrophobicContact CD1-CD2 4.09Å; L966-F970 HydrophobicContact CD1-CE2 3.85Å; L966-F970 HydrophobicContact CG-CD2 3.97Å; L966-F970 HydrophobicContact CG-CE2 4.24Å; L966-F970 WeakPolarHBondContact O-CD2 3.24Å; L966-F970 PolarHBondContact O-N 2.03Å |
| 967 | E | 53.8 | Low | 49.3 | Very low | 119 Ų | 119 | 91.2 Ų | 91.2 | 56% | 0.556 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.7 | -38.5 | 172 | -96.1 | -175.1 | 153.6 | 0 | 0 | 112.4 | W963 V969 G971 | W963-E967 HydrophobicContact CE3-CG 4.28Å; W963-E967 HydrophobicContact CZ3-CG 4.26Å; W963-E967 PolarHBondContact O-N 3.42Å; E967-V969 VanDerWaalsContact C-N 3.27Å; E967-V969 PolarHBondContact O-N 2.86Å; E967-G971 VanDerWaalsContact O-CA 3.25Å; E967-G971 WeakPolarHBondContact O-CA 3.37Å; E967-G971 PolarHBondContact O-N 3.18Å |
| 968 | S | 58.5 | Low | 48.5 | Very low | 73 Ų | 73 | 93.8 Ų | 93.8 | 51% | 0.51 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.6 | -34 | 173.7 | -176.7 | 0 | 0 | 0 | 0 | 112.7 | G964 M965 | G964-S968 PolarHBondContact O-N 3.47Å; M965-S968 WeakPolarHBondContact O-CB 3.49Å; M965-S968 PolarHBondContact O-N 3.48Å |
| 969 | V | 55.1 | Low | 47.4 | Very low | 29 Ų | 29 | 96.6 Ų | 96.6 | 18% | 0.176 | 55% | 0.551 | C | S | . | * | H | α-helix | trans | -84 | -39.9 | -177.8 | 170.9 | 0 | 0 | 0 | 0 | 112.2 | M965 L966 E967 L996 E999 | M965-V969 WeakPolarHBondContact O-CG2 3.44Å; M965-V969 PolarHBondContact O-N 3.35Å; M965-V969 VanDerWaalsContact O-N 3.08Å; L966-V969 PolarHBondContact O-N 3.26Å; E967-V969 VanDerWaalsContact C-N 3.27Å; E967-V969 PolarHBondContact O-N 2.86Å; V969-L996 HydrophobicContact CG1-CD1 3.59Å; V969-E999 HydrophobicContact CG2-CB 4.33Å |
| 970 | F | 53 | Low | 46 | Very low | 116 Ų | 116 | 99.6 Ų | 99.6 | 51% | 0.509 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -107.5 | -11.3 | -173.7 | -65.8 | -73.7 | 0 | 0 | 0 | 115.2 | L966 I973 | L966-F970 HydrophobicContact CD1-CD2 4.09Å; L966-F970 HydrophobicContact CD1-CE2 3.85Å; L966-F970 HydrophobicContact CG-CD2 3.97Å; L966-F970 HydrophobicContact CG-CE2 4.24Å; L966-F970 WeakPolarHBondContact O-CD2 3.24Å; L966-F970 PolarHBondContact O-N 2.03Å; F970-I973 HydrophobicContact CD1-CD1 4.31Å; F970-I973 PolarHBondContact O-N 2.81Å |
| 971 | G | 49.8 | Very low | 44.8 | Very low | 44 Ų | 44 | 102.5 Ų | 102.5 | 45% | 0.454 | 59% | 0.586 | S | S | . | * | G | 310 helix | trans | -54.9 | -44.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | E967 I973 | E967-G971 VanDerWaalsContact O-CA 3.25Å; E967-G971 WeakPolarHBondContact O-CA 3.37Å; E967-G971 PolarHBondContact O-N 3.18Å; G971-I973 PolarHBondContact O-N 2.79Å |
| 972 | P | 50 | Low | 43.6 | Very low | 76 Ų | 76 | 105.8 Ų | 105.8 | 49% | 0.494 | 61% | 0.607 | S | S | . | * | G | 310 helix | trans | -66.4 | -18.3 | -179.7 | -22.6 | 33.6 | 0 | 0 | 0 | 115.2 | ||
| 973 | I | 47 | Very low | 42.9 | Very low | 132 Ų | 132 | 108 Ų | 108 | 68% | 0.677 | 62% | 0.618 | S | S | * | * | G | 310 helix | trans | -85 | -11.4 | -172.3 | -58.8 | 175 | 0 | 0 | 0 | 112.3 | F970 G971 Q975 | F970-I973 HydrophobicContact CD1-CD1 4.31Å; F970-I973 PolarHBondContact O-N 2.81Å; G971-I973 PolarHBondContact O-N 2.79Å; I973-Q975 PolarHBondContact O-N 2.75Å |
| 974 | K | 39.6 | Very low | 42.2 | Very low | 184 Ų | 184 | 105.6 Ų | 105.6 | 80% | 0.8 | 62% | 0.623 | S | S | * | * | G | 310 helix | trans | -83.9 | 9.9 | -172.1 | -82.6 | -169.6 | 176.8 | 178.3 | 0 | 117 | G976 | K974-G976 PolarHBondContact O-N 2.04Å; K974-G976 VanDerWaalsContact O-N 3.08Å |
| 975 | Q | 37.3 | Very low | 40.8 | Very low | 186 Ų | 186 | 114.7 Ų | 114.7 | 87% | 0.869 | 64% | 0.644 | S | S | * | * | trans | -86.5 | 80.6 | 179.2 | -63.2 | -169.2 | 21.2 | 0 | 0 | 112.5 | I973 | I973-Q975 PolarHBondContact O-N 2.75Š| ||
| 976 | G | 33.2 | Very low | 39.4 | Very low | 64 Ų | 64 | 116.1 Ų | 116.1 | 66% | 0.66 | 67% | 0.67 | S | S | * | * | trans | -86.9 | 151 | 164.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | K974 | K974-G976 PolarHBondContact O-N 2.04Å; K974-G976 VanDerWaalsContact O-N 3.08Å | ||
| 977 | P | 34.3 | Very low | 38.7 | Very low | 127 Ų | 127 | 117.6 Ų | 117.6 | 83% | 0.825 | 69% | 0.687 | S | S | * | * | trans | -92.8 | 126.8 | -160.1 | 34.5 | -30.7 | 0 | 0 | 0 | 112.9 | ||||
| 978 | S | 31.7 | Very low | 37.5 | Very low | 113 Ų | 113 | 118.4 Ų | 118.4 | 79% | 0.79 | 70% | 0.7 | S | S | * | * | trans | -162.6 | 123.6 | 155.4 | -80.9 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 979 | T | 28.1 | Very low | 36.4 | Very low | 128 Ų | 128 | 124 Ų | 124 | 79% | 0.785 | 72% | 0.719 | S | S | * | * | trans | 78.3 | 91.9 | 151.8 | 62.8 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 980 | T | 27.4 | Very low | 35.7 | Very low | 133 Ų | 133 | 128.9 Ų | 128.9 | 82% | 0.816 | 75% | 0.748 | S | S | * | * | 67.1 | 82.8 | 116.1 | -35.5 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 981 | S | 30.5 | Very low | 35.3 | Very low | 123 Ų | 123 | 128.3 Ų | 128.3 | 86% | 0.86 | 75% | 0.75 | S | S | * | * | trans | -157.4 | 150.8 | 142.9 | -83 | 0 | 0 | 0 | 0 | 110.1 | I983 | S981-I983 PolarHBondContact O-N 3.48Š| ||
| 982 | L | 29.2 | Very low | 35.3 | Very low | 168 Ų | 168 | 131.4 Ų | 131.4 | 88% | 0.88 | 76% | 0.756 | S | S | * | * | trans | -72.7 | 115 | -157 | -68.9 | 128.8 | 0 | 0 | 0 | 115.2 | ||||
| 983 | I | 31.4 | Very low | 35.3 | Very low | 127 Ų | 127 | 134 Ų | 134 | 65% | 0.651 | 77% | 0.766 | S | S | * | * | 21.5 | 148.3 | 127.7 | -53.1 | 178 | 0 | 0 | 0 | 118.2 | S981 | S981-I983 PolarHBondContact O-N 3.48Š| |||
| 984 | P | 31.2 | Very low | 35.9 | Very low | 107 Ų | 107 | 135.5 Ų | 135.5 | 70% | 0.695 | 77% | 0.768 | S | S | * | * | cis | -138.5 | 140.6 | 15 | 18.1 | 9 | 0 | 0 | 0 | 118.2 | ||||
| 985 | R | 27.3 | Very low | 36.5 | Very low | 232 Ų | 232 | 132.1 Ų | 132.1 | 88% | 0.875 | 76% | 0.755 | S | S | * | * | 68.7 | 111.8 | 104.4 | -58 | -175.9 | -154.1 | -137.5 | 2.9 | 119 | |||||
| 986 | G | 29.7 | Very low | 37.3 | Very low | 70 Ų | 70 | 126.5 Ų | 126.5 | 72% | 0.722 | 73% | 0.73 | S | S | * | * | trans | 175.4 | 118.6 | 151.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 987 | S | 34.3 | Very low | 38.4 | Very low | 119 Ų | 119 | 131.6 Ų | 131.6 | 83% | 0.832 | 73% | 0.731 | S | S | * | * | trans | 64.2 | 100.1 | 174 | 57.4 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 988 | T | 29.4 | Very low | 39.7 | Very low | 135 Ų | 135 | 131.4 Ų | 131.4 | 83% | 0.828 | 72% | 0.719 | S | S | * | * | trans | -70.5 | 111 | 155.5 | 43.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 989 | E | 35.9 | Very low | 41 | Very low | 192 Ų | 192 | 128.6 Ų | 128.6 | 90% | 0.897 | 69% | 0.693 | S | S | * | * | trans | -104.4 | 101.3 | 163.1 | -84.3 | -179.2 | 164.1 | 0 | 0 | 108.7 | ||||
| 990 | T | 40 | Very low | 42.4 | Very low | 130 Ų | 130 | 126.9 Ų | 126.9 | 80% | 0.798 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 124.1 | 169.8 | 42.6 | 0 | 0 | 0 | 0 | 109.5 | N992 | T990-N992 PolarHBondContact O-N 2.84Š|
| 991 | L | 44.5 | Very low | 44.2 | Very low | 105 Ų | 105 | 126.6 Ų | 126.6 | 55% | 0.55 | 67% | 0.666 | S | S | . | * | P | Polyproline II helix | trans | -55.6 | 125 | 176.2 | -155.6 | 80.3 | 0 | 0 | 0 | 110.4 | E995 | L991-E995 WeakPolarHBondContact CD1-OE2 3.41Š|
| 992 | N | 49.4 | Very low | 45.8 | Very low | 108 Ų | 108 | 127.9 Ų | 127.9 | 58% | 0.578 | 65% | 0.652 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 141.7 | -173.6 | -169.2 | 6 | 0 | 0 | 0 | 110.7 | T990 K994 E995 | T990-N992 PolarHBondContact O-N 2.84Å; N992-K994 PolarHBondContact O-N 3.05Å; N992-E995 PolarHBondContact O-N 3.1Å |
| 993 | D | 49.2 | Very low | 47 | Very low | 132 Ų | 132 | 122.4 Ų | 122.4 | 71% | 0.706 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -53 | -23 | -177.6 | -70.1 | -24.1 | 0 | 0 | 0 | 114 | Y997 | D993-Y997 PolarHBondContact O-N 3.28Å; D993-Y997 VanDerWaalsContact O-N 3.14Å |
| 994 | K | 60.4 | Low | 48.3 | Very low | 162 Ų | 162 | 121.2 Ų | 121.2 | 70% | 0.704 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -68.7 | -36.5 | 177.6 | -152.8 | -179.3 | -176.6 | -173 | 0 | 113.2 | N992 E998 | N992-K994 PolarHBondContact O-N 3.05Å; K994-E998 PolarHBondContact O-N 3.36Å |
| 995 | E | 53.2 | Low | 49.8 | Very low | 113 Ų | 113 | 120.6 Ų | 120.6 | 53% | 0.528 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -73.8 | -37.8 | 176.2 | -77.7 | 179.7 | 149.3 | 0 | 0 | 111.2 | L991 N992 Y997 E998 E999 | L991-E995 WeakPolarHBondContact CD1-OE2 3.41Å; N992-E995 PolarHBondContact O-N 3.1Å; E995-Y997 VanDerWaalsContact C-N 3.31Å; E995-Y997 PolarHBondContact O-N 2.98Å; E995-E998 PolarHBondContact O-N 2.88Å; E995-E999 PolarHBondContact O-N 3.13Å |
| 996 | L | 53.8 | Low | 51.2 | Low | 68 Ų | 68 | 110.9 Ų | 110.9 | 36% | 0.356 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -61.2 | -40.5 | 175.2 | -178 | 63.5 | 0 | 0 | 0 | 111.7 | V969 E999 I1000 | V969-L996 HydrophobicContact CG1-CD1 3.59Å; L996-E999 PolarHBondContact O-N 3.15Å; L996-I1000 HydrophobicContact CD1-CD1 4.37Å; L996-I1000 HydrophobicContact CG-CD1 4.11Å; L996-I1000 VanDerWaalsContact O-CG1 3.29Å; L996-I1000 WeakPolarHBondContact O-CG1 3.35Å; L996-I1000 PolarHBondContact O-N 3.46Å; L996-I1000 VanDerWaalsContact O-N 3.11Å |
| 997 | Y | 55.4 | Low | 52.4 | Low | 172 Ų | 172 | 111.1 Ų | 111.1 | 68% | 0.675 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -68.5 | -37.1 | 178.9 | -164.5 | -92.9 | 0 | 0 | 0 | 113 | D993 E995 K1001 | D993-Y997 PolarHBondContact O-N 3.28Å; D993-Y997 VanDerWaalsContact O-N 3.14Å; E995-Y997 VanDerWaalsContact C-N 3.31Å; E995-Y997 PolarHBondContact O-N 2.98Å; Y997-K1001 WeakPolarHBondContact O-CB 3.5Å; Y997-K1001 PolarHBondContact O-N 3.4Å; Y997-K1001 VanDerWaalsContact O-N 3.07Å |
| 998 | E | 61.4 | Low | 53.5 | Low | 122 Ų | 122 | 109.1 Ų | 109.1 | 57% | 0.57 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -65 | -39.5 | 174.9 | -78.4 | -161.6 | 161.6 | 0 | 0 | 112.1 | K994 E995 K1001 R1002 | K994-E998 PolarHBondContact O-N 3.36Å; E995-E998 PolarHBondContact O-N 2.88Å; E998-K1001 PolarHBondContact O-N 3.38Å; E998-R1002 PolarHBondContact O-N 3.27Å |
| 999 | E | 58.8 | Low | 54.8 | Low | 54 Ų | 54 | 109.4 Ų | 109.4 | 25% | 0.252 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -75 | -31.4 | -179.3 | -61.9 | -41.8 | -111.2 | 0 | 0 | 112.7 | V969 E995 L996 K1001 R1002 L1003 | V969-E999 HydrophobicContact CG2-CB 4.33Å; E995-E999 PolarHBondContact O-N 3.13Å; L996-E999 PolarHBondContact O-N 3.15Å; E999-K1001 VanDerWaalsContact C-N 3.35Å; E999-R1002 IonicContact OE1-NH1 2.73Å; E999-R1002 PolarHBondContact OE1-NH1 3.2Å; E999-R1002 WeakPolarHBondContact OE2-CD 3.33Å; E999-R1002 IonicContact OE2-CZ 3.69Å; E999-R1002 IonicContact OE2-NE 3.32Å; E999-R1002 IonicContact OE2-NH1 3.56Å; E999-R1002 PolarHBondContact OE2-NH1 3.44Å; E999-L1003 WeakPolarHBondContact O-CB 3.48Å; E999-L1003 PolarHBondContact O-N 2.78Å; E999-L1003 VanDerWaalsContact O-N 3.1Å |
| 1000 | I | 57.4 | Low | 55.5 | Low | 92 Ų | 92 | 101.3 Ų | 101.3 | 47% | 0.472 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.4 | -41.9 | 169.3 | -69.5 | 169 | 0 | 0 | 0 | 110.8 | L996 L1003 N1004 | L996-I1000 HydrophobicContact CD1-CD1 4.37Å; L996-I1000 HydrophobicContact CG-CD1 4.11Å; L996-I1000 VanDerWaalsContact O-CG1 3.29Å; L996-I1000 WeakPolarHBondContact O-CG1 3.35Å; L996-I1000 PolarHBondContact O-N 3.46Å; L996-I1000 VanDerWaalsContact O-N 3.11Å; I1000-L1003 WeakPolarHBondContact O-CB 3.33Å; I1000-L1003 PolarHBondContact O-N 3.47Å; I1000-N1004 PolarHBondContact O-N 3.43Å; I1000-N1004 VanDerWaalsContact O-N 3.12Å |
| 1001 | K | 66.5 | Low | 55.7 | Low | 128 Ų | 128 | 103.4 Ų | 103.4 | 56% | 0.557 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64.9 | -44.5 | 178.8 | -171.1 | 180 | 176.9 | -174.8 | 0 | 112 | Y997 E998 E999 L1003 N1004 D1005 | Y997-K1001 WeakPolarHBondContact O-CB 3.5Å; Y997-K1001 PolarHBondContact O-N 3.4Å; Y997-K1001 VanDerWaalsContact O-N 3.07Å; E998-K1001 PolarHBondContact O-N 3.38Å; E999-K1001 VanDerWaalsContact C-N 3.35Å; K1001-L1003 VanDerWaalsContact C-N 3.25Å; K1001-L1003 PolarHBondContact O-N 2.04Å; K1001-N1004 PolarHBondContact O-N 2.75Å; K1001-D1005 PolarHBondContact O-N 2.86Å |
| 1002 | R | 63.1 | Low | 55.8 | Low | 149 Ų | 149 | 104.1 Ų | 104.1 | 56% | 0.562 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -58.8 | -36.3 | 174 | -90.7 | -179.6 | 174.4 | 162.2 | -2.3 | 113.2 | M965 E998 E999 T1006 | M965-R1002 HydrophobicContact CE-CB 4Å; E998-R1002 PolarHBondContact O-N 3.27Å; E999-R1002 IonicContact OE1-NH1 2.73Å; E999-R1002 PolarHBondContact OE1-NH1 3.2Å; E999-R1002 WeakPolarHBondContact OE2-CD 3.33Å; E999-R1002 IonicContact OE2-CZ 3.69Å; E999-R1002 IonicContact OE2-NE 3.32Å; E999-R1002 IonicContact OE2-NH1 3.56Å; E999-R1002 PolarHBondContact OE2-NH1 3.44Å; R1002-T1006 WeakPolarHBondContact O-CB 3.36Å; R1002-T1006 PolarHBondContact O-N 3.41Å; R1002-T1006 PolarHBondContact O-OG1 3.15Å |
| 1003 | L | 55.5 | Low | 55.7 | Low | 54 Ų | 54 | 102.7 Ų | 102.7 | 28% | 0.283 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.3 | -45.9 | 177.2 | -167.3 | 70.7 | 0 | 0 | 0 | 110.7 | L962 M965 E999 I1000 K1001 T1006 V1007 | L962-L1003 HydrophobicContact CG-CD1 4.27Å; M965-L1003 HydrophobicContact CB-CD1 4.03Å; M965-L1003 HydrophobicContact CE-CB 4.05Å; M965-L1003 HydrophobicContact CE-CD1 3.88Å; M965-L1003 HydrophobicContact CG-CD1 4.47Å; M965-L1003 HydrophobicContact SD-CD1 3.66Å; E999-L1003 WeakPolarHBondContact O-CB 3.48Å; E999-L1003 PolarHBondContact O-N 2.78Å; E999-L1003 VanDerWaalsContact O-N 3.1Å; I1000-L1003 WeakPolarHBondContact O-CB 3.33Å; I1000-L1003 PolarHBondContact O-N 3.47Å; K1001-L1003 VanDerWaalsContact C-N 3.25Å; K1001-L1003 PolarHBondContact O-N 2.04Å; L1003-T1006 PolarHBondContact O-N 2.95Å; L1003-V1007 WeakPolarHBondContact O-CG2 3.42Å; L1003-V1007 PolarHBondContact O-N 3.27Å |
| 1004 | N | 58.7 | Low | 55.3 | Low | 102 Ų | 102 | 101 Ų | 101 | 55% | 0.545 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63.6 | -47.3 | 179.7 | -168.4 | 39.6 | 0 | 0 | 0 | 112.7 | I1000 K1001 T1006 V1007 V1008 | I1000-N1004 PolarHBondContact O-N 3.43Å; I1000-N1004 VanDerWaalsContact O-N 3.12Å; K1001-N1004 PolarHBondContact O-N 2.75Å; N1004-T1006 PolarHBondContact O-N 3.19Å; N1004-V1007 PolarHBondContact O-N 2.77Å; N1004-V1007 VanDerWaalsContact O-N 3.09Å; N1004-V1008 PolarHBondContact O-N 2.86Å; N1004-V1008 VanDerWaalsContact O-N 3.11Å |
| 1005 | D | 62.6 | Low | 54.3 | Low | 94 Ų | 94 | 99 Ų | 99 | 50% | 0.503 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -61.1 | -33.1 | 178.7 | -69.6 | -19.3 | 0 | 0 | 0 | 112 | K1001 K1009 | K1001-D1005 PolarHBondContact O-N 2.86Å; D1005-K1009 PolarHBondContact O-N 3.31Å |
| 1006 | T | 57.1 | Low | 53.8 | Low | 28 Ų | 28 | 99.6 Ų | 99.6 | 17% | 0.172 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -67.4 | -40.5 | 176.2 | -60.7 | 0 | 0 | 0 | 0 | 111.7 | K961 R1002 L1003 N1004 L1010 | K961-T1006 HydrophobicContact CD-CG2 4.12Å; R1002-T1006 WeakPolarHBondContact O-CB 3.36Å; R1002-T1006 PolarHBondContact O-N 3.41Å; R1002-T1006 PolarHBondContact O-OG1 3.15Å; L1003-T1006 PolarHBondContact O-N 2.95Å; N1004-T1006 PolarHBondContact O-N 3.19Å; T1006-L1010 HydrophobicContact CG2-CD1 4.27Å; T1006-L1010 WeakPolarHBondContact O-CD1 3.21Å; T1006-L1010 PolarHBondContact O-N 2.76Å |
| 1007 | V | 53.6 | Low | 53.2 | Low | 74 Ų | 74 | 104.3 Ų | 104.3 | 45% | 0.448 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -68.4 | -40.9 | 179.6 | 173.6 | 0 | 0 | 0 | 0 | 111.8 | L1003 N1004 K1009 L1010 Y1011 | L1003-V1007 WeakPolarHBondContact O-CG2 3.42Å; L1003-V1007 PolarHBondContact O-N 3.27Å; N1004-V1007 PolarHBondContact O-N 2.77Å; N1004-V1007 VanDerWaalsContact O-N 3.09Å; V1007-K1009 PolarHBondContact O-N 3.23Å; V1007-L1010 VanDerWaalsContact O-CB 3.29Å; V1007-L1010 WeakPolarHBondContact O-CB 3.44Å; V1007-L1010 PolarHBondContact O-N 3.03Å; V1007-Y1011 PolarHBondContact O-N 2.81Å |
| 1008 | V | 57.6 | Low | 52.2 | Low | 78 Ų | 78 | 104.8 Ų | 104.8 | 47% | 0.473 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.7 | -43.8 | 179.2 | 173.9 | 0 | 0 | 0 | 0 | 111.3 | N1004 L1010 Y1011 Q1012 | N1004-V1008 PolarHBondContact O-N 2.86Å; N1004-V1008 VanDerWaalsContact O-N 3.11Å; V1008-L1010 VanDerWaalsContact C-N 3.32Å; V1008-L1010 PolarHBondContact O-N 2.75Å; V1008-Y1011 PolarHBondContact O-N 2.88Å; V1008-Q1012 PolarHBondContact O-N 3.03Å |
| 1009 | K | 57.7 | Low | 51.1 | Low | 141 Ų | 141 | 102.5 Ų | 102.5 | 61% | 0.613 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63.7 | -37.3 | 177.9 | -168 | 161.6 | -175.5 | 171.3 | 0 | 112.7 | D1005 V1007 Y1011 Q1012 D1013 | D1005-K1009 PolarHBondContact O-N 3.31Å; V1007-K1009 PolarHBondContact O-N 3.23Å; K1009-Y1011 VanDerWaalsContact C-N 3.31Å; K1009-Y1011 PolarHBondContact O-N 2.85Å; K1009-Q1012 PolarHBondContact O-N 3.45Å; K1009-D1013 PolarHBondContact O-N 3.28Å; K1009-D1013 VanDerWaalsContact O-N 3.15Å |
| 1010 | L | 48.7 | Very low | 50.1 | Low | 22 Ų | 22 | 107.3 Ų | 107.3 | 12% | 0.115 | 53% | 0.528 | C | S | . | . | H | α-helix | trans | -60.1 | -37.9 | 173.4 | -102.7 | 146.1 | 0 | 0 | 0 | 113.6 | L954 R958 T1006 V1007 V1008 Q1012 I1014 | L954-L1010 HydrophobicContact CD2-CD2 4.37Å; R958-L1010 HydrophobicContact CB-CD1 4.31Å; R958-L1010 HydrophobicContact CG-CD1 3.41Å; R958-L1010 VanDerWaalsContact CG-CD1 3.41Å; R958-L1010 HydrophobicContact CG-CD2 3.44Å; R958-L1010 VanDerWaalsContact CG-CD2 3.44Å; R958-L1010 HydrophobicContact CG-CG 3.95Å; T1006-L1010 HydrophobicContact CG2-CD1 4.27Å; T1006-L1010 WeakPolarHBondContact O-CD1 3.21Å; T1006-L1010 PolarHBondContact O-N 2.76Å; V1007-L1010 VanDerWaalsContact O-CB 3.29Å; V1007-L1010 WeakPolarHBondContact O-CB 3.44Å; V1007-L1010 PolarHBondContact O-N 3.03Å; V1008-L1010 VanDerWaalsContact C-N 3.32Å; V1008-L1010 PolarHBondContact O-N 2.75Å; L1010-Q1012 VanDerWaalsContact C-N 3.33Å; L1010-I1014 WeakPolarHBondContact O-CD1 3.38Å; L1010-I1014 WeakPolarHBondContact O-CG1 3.32Å; L1010-I1014 PolarHBondContact O-N 3.21Å |
| 1011 | Y | 44.6 | Very low | 49.1 | Very low | 173 Ų | 173 | 107.5 Ų | 107.5 | 68% | 0.678 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -69.5 | -34.4 | 179.5 | -157 | -91.9 | 0 | 0 | 0 | 111.7 | V1007 V1008 K1009 | V1007-Y1011 PolarHBondContact O-N 2.81Å; V1008-Y1011 PolarHBondContact O-N 2.88Å; K1009-Y1011 VanDerWaalsContact C-N 3.31Å; K1009-Y1011 PolarHBondContact O-N 2.85Å |
| 1012 | Q | 47 | Very low | 47.7 | Very low | 121 Ų | 121 | 104.3 Ų | 104.3 | 57% | 0.565 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -67.6 | -46.4 | 174.4 | -94.6 | 168.5 | -32.9 | 0 | 0 | 112.6 | V1008 K1009 L1010 I1014 L1015 | V1008-Q1012 PolarHBondContact O-N 3.03Å; K1009-Q1012 PolarHBondContact O-N 3.45Å; L1010-Q1012 VanDerWaalsContact C-N 3.33Å; Q1012-I1014 PolarHBondContact O-N 3.48Å; Q1012-L1015 PolarHBondContact O-N 3.13Å; Q1012-L1015 VanDerWaalsContact O-N 3.08Å |
| 1013 | D | 46.9 | Very low | 46.6 | Very low | 78 Ų | 78 | 103.2 Ų | 103.2 | 42% | 0.417 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.3 | -29.6 | -178.7 | -64.1 | -20.8 | 0 | 0 | 0 | 113 | K1009 | K1009-D1013 PolarHBondContact O-N 3.28Å; K1009-D1013 VanDerWaalsContact O-N 3.15Å |
| 1014 | I | 42 | Very low | 46.1 | Very low | 97 Ų | 97 | 105.4 Ų | 105.4 | 50% | 0.497 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -70.4 | -33.1 | 177.9 | -69.1 | 167.6 | 0 | 0 | 0 | 112 | L1010 Q1012 | L1010-I1014 WeakPolarHBondContact O-CD1 3.38Å; L1010-I1014 WeakPolarHBondContact O-CG1 3.32Å; L1010-I1014 PolarHBondContact O-N 3.21Å; Q1012-I1014 PolarHBondContact O-N 3.48Å |
| 1015 | L | 39.5 | Very low | 45.8 | Very low | 119 Ų | 119 | 105 Ų | 105 | 62% | 0.623 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -70.3 | -35 | 179.7 | -73.6 | 167.8 | 0 | 0 | 0 | 111.5 | Q1012 | Q1012-L1015 PolarHBondContact O-N 3.13Å; Q1012-L1015 VanDerWaalsContact O-N 3.08Å |
| 1016 | D | 41.9 | Very low | 45.1 | Very low | 125 Ų | 125 | 104.1 Ų | 104.1 | 67% | 0.668 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -74.9 | -30.9 | -177.7 | -71.2 | -21.2 | 0 | 0 | 0 | 113.1 | K1018 A1019 | D1016-K1018 VanDerWaalsContact C-N 3.27Å; D1016-K1018 PolarHBondContact O-N 3.2Å; D1016-A1019 PolarHBondContact O-N 3.27Å |
| 1017 | Y | 42.1 | Very low | 45 | Very low | 168 Ų | 168 | 109 Ų | 109 | 66% | 0.659 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.4 | -18.2 | -178.1 | -162 | -97.1 | 0 | 0 | 0 | 114.3 | A1019 | Y1017-A1019 VanDerWaalsContact C-N 3.26Å; Y1017-A1019 PolarHBondContact O-N 3.42Å |
| 1018 | K | 34.5 | Very low | 45.2 | Very low | 181 Ų | 181 | 110.7 Ų | 110.7 | 79% | 0.787 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.1 | -11.2 | -179.3 | -121.7 | -178.6 | -176.4 | 180 | 0 | 113.8 | D1016 | D1016-K1018 VanDerWaalsContact C-N 3.27Å; D1016-K1018 PolarHBondContact O-N 3.2Å |
| 1019 | A | 36.6 | Very low | 45 | Very low | 74 Ų | 74 | 109.1 Ų | 109.1 | 61% | 0.612 | 54% | 0.543 | S | S | * | . | S | Bend | trans | -85.9 | -30.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | D1016 Y1017 | D1016-A1019 PolarHBondContact O-N 3.27Å; Y1017-A1019 VanDerWaalsContact C-N 3.26Å; Y1017-A1019 PolarHBondContact O-N 3.42Å |
| 1020 | D | 38.1 | Very low | 45 | Very low | 156 Ų | 156 | 105.5 Ų | 105.5 | 83% | 0.834 | 53% | 0.527 | S | S | * | . | S | Bend | trans | -96.3 | -5.1 | -168.5 | -94.7 | -13 | 0 | 0 | 0 | 115.9 | S1022 | D1020-S1022 PolarHBondContact O-N 3.2Š|
| 1021 | S | 37.3 | Very low | 45.4 | Very low | 95 Ų | 95 | 110.7 Ų | 110.7 | 66% | 0.664 | 55% | 0.549 | S | S | * | . | S | Bend | trans | -92.7 | 14.5 | -174.9 | 57.6 | 0 | 0 | 0 | 0 | 115.8 | ||
| 1022 | S | 36.8 | Very low | 45.9 | Very low | 61 Ų | 61 | 105.2 Ų | 105.2 | 43% | 0.427 | 53% | 0.533 | S | S | . | . | trans | -120.9 | 53 | -169.8 | 62.9 | 0 | 0 | 0 | 0 | 115.9 | D1020 | D1020-S1022 PolarHBondContact O-N 3.2Š| ||
| 1023 | I | 39.9 | Very low | 46.4 | Very low | 127 Ų | 127 | 99.6 Ų | 99.6 | 65% | 0.651 | 51% | 0.507 | S | S | * | . | trans | -140.8 | 105.7 | 160.8 | -51.3 | 177.8 | 0 | 0 | 0 | 108.9 | ||||
| 1024 | I | 45.2 | Very low | 47.1 | Very low | 99 Ų | 99 | 99.3 Ų | 99.3 | 51% | 0.508 | 51% | 0.506 | S | S | . | . | trans | -55.3 | 135.9 | 174.1 | -65.3 | 166 | 0 | 0 | 0 | 109.3 | Y1026 | I1024-Y1026 PolarHBondContact O-N 3.42Š| ||
| 1025 | D | 53 | Low | 47.9 | Very low | 95 Ų | 95 | 99.8 Ų | 99.8 | 51% | 0.508 | 51% | 0.509 | S | S | . | . | trans | -68 | 87 | 179.8 | -175.8 | 2.7 | 0 | 0 | 0 | 111.2 | K1027 Q1028 F1029 | D1025-K1027 PolarHBondContact O-N 3.16Å; D1025-K1027 VanDerWaalsContact O-N 3.12Å; D1025-K1027 VanDerWaalsContact OD1-CB 3.31Å; D1025-K1027 WeakPolarHBondContact OD1-CB 3.49Å; D1025-K1027 PolarHBondContact OD1-N 3.41Å; D1025-K1027 VanDerWaalsContact OD1-N 3.1Å; D1025-Q1028 HydrophobicContact CB-CB 4.23Å; D1025-Q1028 WeakPolarHBondContact O-CB 3.24Å; D1025-Q1028 PolarHBondContact O-N 2.85Å; D1025-Q1028 PolarHBondContact OD1-N 3.22Å; D1025-F1029 PolarHBondContact O-N 3.08Å | ||
| 1026 | Y | 47 | Very low | 48.7 | Very low | 75 Ų | 75 | 95.3 Ų | 95.3 | 29% | 0.294 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -58.4 | -23.7 | 178.6 | 81.3 | -89 | 0 | 0 | 0 | 112.8 | I1024 Q1028 F1029 K1030 E1169 | I1024-Y1026 PolarHBondContact O-N 3.42Å; Y1026-Q1028 VanDerWaalsContact C-N 3.31Å; Y1026-F1029 WeakPolarHBondContact O-CB 3.43Å; Y1026-F1029 PolarHBondContact O-N 2.92Å; Y1026-K1030 PolarHBondContact O-N 3.18Å; Y1026-E1169 HydrophobicContact CD2-CG 4.3Å; Y1026-E1169 HydrophobicContact CE2-CG 3.86Å |
| 1027 | K | 55.7 | Low | 49.6 | Very low | 130 Ų | 130 | 90.2 Ų | 90.2 | 57% | 0.565 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -67.5 | -36.5 | 176.9 | -65.7 | -179.3 | 174.7 | 177.6 | 0 | 110.8 | D1025 K1031 | D1025-K1027 PolarHBondContact O-N 3.16Å; D1025-K1027 VanDerWaalsContact O-N 3.12Å; D1025-K1027 VanDerWaalsContact OD1-CB 3.31Å; D1025-K1027 WeakPolarHBondContact OD1-CB 3.49Å; D1025-K1027 PolarHBondContact OD1-N 3.41Å; D1025-K1027 VanDerWaalsContact OD1-N 3.1Å; K1027-K1031 WeakPolarHBondContact O-CG 3.46Å; K1027-K1031 PolarHBondContact O-N 3.11Å; K1027-K1031 VanDerWaalsContact O-N 3.09Å |
| 1028 | Q | 56.5 | Low | 50.6 | Low | 110 Ų | 110 | 86.7 Ų | 86.7 | 51% | 0.514 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -67.8 | -37.5 | 174 | -168.5 | 69.5 | 11.5 | 0 | 0 | 111.4 | D1025 Y1026 K1031 T1032 | D1025-Q1028 HydrophobicContact CB-CB 4.23Å; D1025-Q1028 WeakPolarHBondContact O-CB 3.24Å; D1025-Q1028 PolarHBondContact O-N 2.85Å; D1025-Q1028 PolarHBondContact OD1-N 3.22Å; Y1026-Q1028 VanDerWaalsContact C-N 3.31Å; Q1028-K1031 PolarHBondContact O-N 3.03Å; Q1028-T1032 PolarHBondContact O-N 3.04Å; Q1028-T1032 VanDerWaalsContact O-N 3.09Å; Q1028-T1032 PolarHBondContact O-OG1 3.41Å |
| 1029 | F | 54.9 | Low | 51.8 | Low | 45 Ų | 45 | 84.1 Ų | 84.1 | 20% | 0.197 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -62.8 | -48 | 175.3 | -177.5 | -105.9 | 0 | 0 | 0 | 111.9 | D1025 Y1026 K1031 T1032 L1033 I1237 L1241 | D1025-F1029 PolarHBondContact O-N 3.08Å; Y1026-F1029 WeakPolarHBondContact O-CB 3.43Å; Y1026-F1029 PolarHBondContact O-N 2.92Å; F1029-K1031 PolarHBondContact O-N 3.35Å; F1029-T1032 WeakPolarHBondContact O-CB 3.42Å; F1029-T1032 PolarHBondContact O-N 3.46Å; F1029-T1032 VanDerWaalsContact O-N 3.1Å; F1029-L1033 HydrophobicContact CD1-CD1 4.09Å; F1029-L1033 HydrophobicContact CE1-CD1 3.64Å; F1029-L1033 HydrophobicContact CE1-CG 4.45Å; F1029-L1033 HydrophobicContact CZ-CD1 4.12Å; F1029-L1033 PolarHBondContact O-N 3.5Å; F1029-L1033 VanDerWaalsContact O-N 3.09Å; F1029-I1237 HydrophobicContact CZ-CG2 4.05Å; F1029-L1241 HydrophobicContact CD2-CD2 4.38Å; F1029-L1241 HydrophobicContact CE2-CD2 3.43Å; F1029-L1241 VanDerWaalsContact CE2-CD2 3.43Å; F1029-L1241 HydrophobicContact CZ-CD2 3.8Å |
| 1030 | K | 57.1 | Low | 52.9 | Low | 65 Ų | 65 | 81.4 Ų | 81.4 | 28% | 0.283 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -59.3 | -45.3 | 175.4 | -170.5 | 171.9 | -170.6 | 160.7 | 0 | 112.3 | Y1026 T1032 L1033 D1034 D1166 E1169 | Y1026-K1030 PolarHBondContact O-N 3.18Å; K1030-T1032 PolarHBondContact O-N 2.84Å; K1030-L1033 PolarHBondContact O-N 2.97Å; K1030-L1033 VanDerWaalsContact O-N 3.1Å; K1030-D1034 PolarHBondContact O-N 3.18Å; K1030-D1166 IonicContact NZ-OD1 2.68Å; K1030-E1169 IonicContact NZ-OE1 3.22Å; K1030-E1169 IonicContact NZ-OE2 3.91Å; K1030-E1169 PolarHBondContact NZ-OE2 2.69Å |
| 1031 | K | 57.2 | Low | 54.2 | Low | 131 Ų | 131 | 77.2 Ų | 77.2 | 57% | 0.57 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -57.4 | -35.8 | 174.6 | -82.3 | -178.5 | 177.1 | 177 | 0 | 113 | K1027 Q1028 F1029 N1035 | K1027-K1031 WeakPolarHBondContact O-CG 3.46Å; K1027-K1031 PolarHBondContact O-N 3.11Å; K1027-K1031 VanDerWaalsContact O-N 3.09Å; Q1028-K1031 PolarHBondContact O-N 3.03Å; F1029-K1031 PolarHBondContact O-N 3.35Å; K1031-N1035 WeakPolarHBondContact O-CB 3.44Å; K1031-N1035 PolarHBondContact O-N 2.99Å |
| 1032 | T | 54.6 | Low | 55.2 | Low | 57 Ų | 57 | 77.7 Ų | 77.7 | 35% | 0.35 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -68.9 | -43.1 | 177.7 | -53.3 | 0 | 0 | 0 | 0 | 110.9 | Q1028 F1029 K1030 N1035 I1036 | Q1028-T1032 PolarHBondContact O-N 3.04Å; Q1028-T1032 VanDerWaalsContact O-N 3.09Å; Q1028-T1032 PolarHBondContact O-OG1 3.41Å; F1029-T1032 WeakPolarHBondContact O-CB 3.42Å; F1029-T1032 PolarHBondContact O-N 3.46Å; F1029-T1032 VanDerWaalsContact O-N 3.1Å; K1030-T1032 PolarHBondContact O-N 2.84Å; T1032-N1035 PolarHBondContact O-N 2.83Å; T1032-I1036 HydrophobicContact CG2-CD1 4.3Å; T1032-I1036 WeakPolarHBondContact O-CG1 3.37Å; T1032-I1036 PolarHBondContact O-N 3.36Å; T1032-I1036 VanDerWaalsContact O-N 3.07Å |
| 1033 | L | 58 | Low | 56.2 | Low | 4 Ų | 4 | 76.5 Ų | 76.5 | 2% | 0.021 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -62.9 | -44.2 | 175.2 | -72.7 | 173.8 | 0 | 0 | 0 | 112.4 | F1029 K1030 N1035 I1036 A1037 S1165 L1241 | F1029-L1033 HydrophobicContact CD1-CD1 4.09Å; F1029-L1033 HydrophobicContact CE1-CD1 3.64Å; F1029-L1033 HydrophobicContact CE1-CG 4.45Å; F1029-L1033 HydrophobicContact CZ-CD1 4.12Å; F1029-L1033 PolarHBondContact O-N 3.5Å; F1029-L1033 VanDerWaalsContact O-N 3.09Å; K1030-L1033 PolarHBondContact O-N 2.97Å; K1030-L1033 VanDerWaalsContact O-N 3.1Å; L1033-N1035 VanDerWaalsContact C-N 3.32Å; L1033-N1035 PolarHBondContact O-N 2.85Å; L1033-I1036 PolarHBondContact O-N 3.47Å; L1033-A1037 PolarHBondContact O-N 3.01Å; L1033-S1165 VanDerWaalsContact CD1-CB 3.5Å; L1033-L1241 HydrophobicContact CD2-CD1 3.62Å; L1033-L1241 HydrophobicContact CD2-CD2 3.99Å; L1033-L1241 HydrophobicContact CD2-CG 4.48Å |
| 1034 | D | 62 | Low | 57.6 | Low | 72 Ų | 72 | 71.7 Ų | 71.7 | 39% | 0.385 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -61.3 | -41.5 | 176.6 | -70.3 | -26.5 | 0 | 0 | 0 | 111.2 | K1030 I1036 A1037 N1038 | K1030-D1034 PolarHBondContact O-N 3.18Å; D1034-I1036 PolarHBondContact O-N 3.49Å; D1034-A1037 PolarHBondContact O-N 3.05Å; D1034-N1038 WeakPolarHBondContact O-CB 3.36Å; D1034-N1038 PolarHBondContact O-N 3.3Å; D1034-N1038 PolarHBondContact O-ND2 2.92Å; D1034-N1038 VanDerWaalsContact O-ND2 3.1Å |
| 1035 | N | 58.7 | Low | 58.5 | Low | 106 Ų | 106 | 71.1 Ų | 71.1 | 57% | 0.567 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -62.3 | -40.9 | 175.3 | -89.5 | -13.9 | 0 | 0 | 0 | 112.7 | K1031 T1032 L1033 N1038 Q1039 | K1031-N1035 WeakPolarHBondContact O-CB 3.44Å; K1031-N1035 PolarHBondContact O-N 2.99Å; T1032-N1035 PolarHBondContact O-N 2.83Å; L1033-N1035 VanDerWaalsContact C-N 3.32Å; L1033-N1035 PolarHBondContact O-N 2.85Å; N1035-N1038 PolarHBondContact O-N 3.48Å; N1035-Q1039 WeakPolarHBondContact O-CG 3.37Å; N1035-Q1039 PolarHBondContact O-N 2.66Å; N1035-Q1039 VanDerWaalsContact O-N 3.09Å |
| 1036 | I | 56.3 | Low | 58.7 | Low | 25 Ų | 25 | 71.2 Ų | 71.2 | 13% | 0.128 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -68.8 | -41.3 | 177.6 | -64.6 | 167.2 | 0 | 0 | 0 | 110.5 | T1032 L1033 D1034 N1038 Q1039 I1040 L1158 L1248 | T1032-I1036 HydrophobicContact CG2-CD1 4.3Å; T1032-I1036 WeakPolarHBondContact O-CG1 3.37Å; T1032-I1036 PolarHBondContact O-N 3.36Å; T1032-I1036 VanDerWaalsContact O-N 3.07Å; L1033-I1036 PolarHBondContact O-N 3.47Å; D1034-I1036 PolarHBondContact O-N 3.49Å; I1036-N1038 VanDerWaalsContact C-N 3.32Å; I1036-N1038 PolarHBondContact O-N 3.19Å; I1036-Q1039 PolarHBondContact O-N 3.09Å; I1036-I1040 HydrophobicContact CG2-CD1 4.47Å; I1036-I1040 PolarHBondContact O-N 3.43Å; I1036-L1158 HydrophobicContact CB-CD1 4.47Å; I1036-L1158 HydrophobicContact CG2-CD1 3.52Å; I1036-L1158 HydrophobicContact CG2-CD2 4.2Å; I1036-L1248 HydrophobicContact CG2-CD1 4.01Å |
| 1037 | A | 60.8 | Low | 59.2 | Low | 19 Ų | 19 | 68.1 Ų | 68.1 | 16% | 0.157 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -57.9 | -45.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | L1033 D1034 Q1039 I1040 D1041 L1158 I1162 | L1033-A1037 PolarHBondContact O-N 3.01Å; D1034-A1037 PolarHBondContact O-N 3.05Å; A1037-Q1039 VanDerWaalsContact C-N 3.34Å; A1037-Q1039 PolarHBondContact O-N 3.13Å; A1037-I1040 PolarHBondContact O-N 2.85Å; A1037-D1041 PolarHBondContact O-N 2.77Å; A1037-L1158 VanDerWaalsContact CA-CD2 3.49Å; A1037-L1158 HydrophobicContact CB-CD2 3.74Å; A1037-I1162 HydrophobicContact CB-CD1 4.15Å |
| 1038 | N | 63.2 | Low | 59.5 | Low | 94 Ų | 94 | 66.4 Ų | 66.4 | 50% | 0.503 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.1 | -38.2 | 176.6 | -70.3 | -30.7 | 0 | 0 | 0 | 112.6 | D1034 N1035 I1036 D1041 M1042 | D1034-N1038 WeakPolarHBondContact O-CB 3.36Å; D1034-N1038 PolarHBondContact O-N 3.3Å; D1034-N1038 PolarHBondContact O-ND2 2.92Å; D1034-N1038 VanDerWaalsContact O-ND2 3.1Å; N1035-N1038 PolarHBondContact O-N 3.48Å; I1036-N1038 VanDerWaalsContact C-N 3.32Å; I1036-N1038 PolarHBondContact O-N 3.19Å; N1038-D1041 PolarHBondContact O-N 2.88Å; N1038-M1042 WeakPolarHBondContact O-CG 3.37Å; N1038-M1042 PolarHBondContact O-N 3.08Å |
| 1039 | Q | 58.3 | Low | 59.6 | Low | 127 Ų | 127 | 67.8 Ų | 67.8 | 59% | 0.593 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -66.1 | -41.2 | 175.2 | -76.6 | -176.7 | -15 | 0 | 0 | 112.3 | N1035 I1036 A1037 M1042 I1043 | N1035-Q1039 WeakPolarHBondContact O-CG 3.37Å; N1035-Q1039 PolarHBondContact O-N 2.66Å; N1035-Q1039 VanDerWaalsContact O-N 3.09Å; I1036-Q1039 PolarHBondContact O-N 3.09Å; A1037-Q1039 VanDerWaalsContact C-N 3.34Å; A1037-Q1039 PolarHBondContact O-N 3.13Å; Q1039-M1042 PolarHBondContact O-N 2.93Å; Q1039-I1043 WeakPolarHBondContact O-CG1 3.03Å; Q1039-I1043 PolarHBondContact O-N 3.46Å |
| 1040 | I | 60.3 | Low | 59.4 | Low | 16 Ų | 16 | 70.1 Ų | 70.1 | 8% | 0.082 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -64.5 | -42.1 | 176 | -66.9 | -174.4 | 0 | 0 | 0 | 111 | I1036 A1037 M1042 I1043 D1044 K1155 L1158 L1248 | I1036-I1040 HydrophobicContact CG2-CD1 4.47Å; I1036-I1040 PolarHBondContact O-N 3.43Å; A1037-I1040 PolarHBondContact O-N 2.85Å; I1040-M1042 VanDerWaalsContact C-N 3.33Å; I1040-M1042 PolarHBondContact O-N 3.36Å; I1040-I1043 PolarHBondContact O-N 2.89Å; I1040-D1044 WeakPolarHBondContact O-CB 3.17Å; I1040-D1044 PolarHBondContact O-N 3.05Å; I1040-K1155 HydrophobicContact CG2-CB 4.41Å; I1040-L1158 HydrophobicContact CD1-CB 4.2Å; I1040-L1158 HydrophobicContact CD1-CD1 4.04Å; I1040-L1158 HydrophobicContact CD1-CD2 3.96Å; I1040-L1158 HydrophobicContact CD1-CG 4.27Å; I1040-L1248 HydrophobicContact CD1-CD1 4.47Å; I1040-L1248 HydrophobicContact CD1-CD2 3.7Å; I1040-L1248 HydrophobicContact CG1-CD2 4.49Å |
| 1041 | D | 65 | Low | 59.1 | Low | 68 Ų | 68 | 70.1 Ų | 70.1 | 36% | 0.364 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -67.3 | -33.1 | 177.3 | -80.9 | -22.3 | 0 | 0 | 0 | 112.5 | A1037 N1038 N1045 K1155 | A1037-D1041 PolarHBondContact O-N 2.77Å; N1038-D1041 PolarHBondContact O-N 2.88Å; D1041-N1045 VanDerWaalsContact O-CB 3.3Å; D1041-N1045 WeakPolarHBondContact O-CB 3.5Å; D1041-N1045 PolarHBondContact O-N 2.92Å; D1041-N1045 PolarHBondContact O-ND2 3.3Å; D1041-K1155 IonicContact OD1-NZ 3.45Å; D1041-K1155 PolarHBondContact OD1-NZ 3.07Å |
| 1042 | M | 59.9 | Low | 58.8 | Low | 105 Ų | 105 | 69.9 Ų | 69.9 | 52% | 0.517 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -61 | -48.3 | 169 | -79 | -176.8 | 63.3 | 0 | 0 | 111.5 | N1038 Q1039 I1040 N1045 E1046 | N1038-M1042 WeakPolarHBondContact O-CG 3.37Å; N1038-M1042 PolarHBondContact O-N 3.08Å; Q1039-M1042 PolarHBondContact O-N 2.93Å; I1040-M1042 VanDerWaalsContact C-N 3.33Å; I1040-M1042 PolarHBondContact O-N 3.36Å; M1042-N1045 PolarHBondContact O-N 2.95Å; M1042-E1046 WeakPolarHBondContact O-CG 3.3Å; M1042-E1046 PolarHBondContact O-N 2.73Å |
| 1043 | I | 57.8 | Low | 58.4 | Low | 37 Ų | 37 | 74.8 Ų | 74.8 | 19% | 0.19 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -63.9 | -41.4 | 178.7 | -65.6 | 167.2 | 0 | 0 | 0 | 111.2 | Q1039 I1040 N1045 E1046 L1047 I1151 N1252 L1255 | Q1039-I1043 WeakPolarHBondContact O-CG1 3.03Å; Q1039-I1043 PolarHBondContact O-N 3.46Å; I1040-I1043 PolarHBondContact O-N 2.89Å; I1043-N1045 VanDerWaalsContact C-N 3.34Å; I1043-N1045 PolarHBondContact O-N 2.83Å; I1043-E1046 PolarHBondContact O-N 3.49Å; I1043-L1047 WeakPolarHBondContact O-CB 3.22Å; I1043-L1047 PolarHBondContact O-N 3.45Å; I1043-I1151 HydrophobicContact CG2-CD1 4.04Å; I1043-N1252 WeakPolarHBondContact CD1-OD1 3.04Å; I1043-L1255 HydrophobicContact CG2-CD2 3.41Å; I1043-L1255 VanDerWaalsContact CG2-CD2 3.41Å |
| 1044 | D | 67.5 | Low | 57.7 | Low | 25 Ų | 25 | 77.3 Ų | 77.3 | 13% | 0.134 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -62.2 | -40.8 | 175.2 | -176.5 | 40.2 | 0 | 0 | 0 | 111.2 | I1040 L1047 K1048 K1155 | I1040-D1044 WeakPolarHBondContact O-CB 3.17Å; I1040-D1044 PolarHBondContact O-N 3.05Å; D1044-L1047 PolarHBondContact O-N 3.26Å; D1044-K1048 WeakPolarHBondContact O-CB 3.15Å; D1044-K1048 VanDerWaalsContact O-CG 3.27Å; D1044-K1048 WeakPolarHBondContact O-CG 3.49Å; D1044-K1048 PolarHBondContact O-N 3.49Å; D1044-K1048 WeakPolarHBondContact OD1-CE 3.14Å; D1044-K1048 IonicContact OD1-NZ 2.83Å; D1044-K1048 VanDerWaalsContact OD2-CE 3.3Å; D1044-K1048 WeakPolarHBondContact OD2-CE 3.3Å; D1044-K1048 IonicContact OD2-NZ 2.77Å; D1044-K1048 PolarHBondContact OD2-NZ 3.47Å; D1044-K1155 IonicContact OD2-NZ 2.72Å; D1044-K1155 PolarHBondContact OD2-NZ 3.15Å |
| 1045 | N | 64.8 | Low | 56.8 | Low | 87 Ų | 87 | 77.6 Ų | 77.6 | 47% | 0.465 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -69.6 | -40 | 176.1 | -75.3 | -26.5 | 0 | 0 | 0 | 112.7 | D1041 M1042 I1043 K1048 Q1049 | D1041-N1045 VanDerWaalsContact O-CB 3.3Å; D1041-N1045 WeakPolarHBondContact O-CB 3.5Å; D1041-N1045 PolarHBondContact O-N 2.92Å; D1041-N1045 PolarHBondContact O-ND2 3.3Å; M1042-N1045 PolarHBondContact O-N 2.95Å; I1043-N1045 VanDerWaalsContact C-N 3.34Å; I1043-N1045 PolarHBondContact O-N 2.83Å; N1045-K1048 PolarHBondContact O-N 3.05Å; N1045-Q1049 WeakPolarHBondContact O-CB 3.27Å; N1045-Q1049 WeakPolarHBondContact O-CG 3.21Å; N1045-Q1049 PolarHBondContact O-N 2.97Å |
| 1046 | E | 56.6 | Low | 56.1 | Low | 98 Ų | 98 | 75.7 Ų | 75.7 | 46% | 0.458 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -63.4 | -42.3 | 173.6 | -75 | 179.1 | 177.1 | 0 | 0 | 111.2 | M1042 I1043 Q1049 L1050 | M1042-E1046 WeakPolarHBondContact O-CG 3.3Å; M1042-E1046 PolarHBondContact O-N 2.73Å; I1043-E1046 PolarHBondContact O-N 3.49Å; E1046-Q1049 PolarHBondContact O-N 3.12Å; E1046-L1050 PolarHBondContact O-N 3.02Å |
| 1047 | L | 58.2 | Low | 55.4 | Low | 10 Ų | 10 | 79 Ų | 79 | 5% | 0.052 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -65.2 | -43.5 | 175.1 | -169 | 76.9 | 0 | 0 | 0 | 111.5 | I1043 D1044 Q1049 L1050 I1051 I1151 | I1043-L1047 WeakPolarHBondContact O-CB 3.22Å; I1043-L1047 PolarHBondContact O-N 3.45Å; D1044-L1047 PolarHBondContact O-N 3.26Å; L1047-Q1049 VanDerWaalsContact C-N 3.28Å; L1047-Q1049 PolarHBondContact O-N 2.95Å; L1047-L1050 PolarHBondContact O-N 3.26Å; L1047-L1050 VanDerWaalsContact O-N 3.13Å; L1047-I1051 HydrophobicContact CD2-CD1 3.99Å; L1047-I1051 HydrophobicContact CG-CD1 3.86Å; L1047-I1051 HydrophobicContact CG-CG1 4.37Å; L1047-I1051 VanDerWaalsContact O-CG1 3.3Å; L1047-I1051 WeakPolarHBondContact O-CG1 3.38Å; L1047-I1051 PolarHBondContact O-N 2.8Å; L1047-I1151 HydrophobicContact CB-CD1 4.26Å; L1047-I1151 HydrophobicContact CD2-CD1 3.53Å; L1047-I1151 HydrophobicContact CG-CD1 4.32Å |
| 1048 | K | 61.4 | Low | 54.7 | Low | 94 Ų | 94 | 82.1 Ų | 82.1 | 41% | 0.409 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -59.8 | -40.1 | 173.6 | -77.1 | 171.3 | -166.4 | 157.3 | 0 | 111.7 | D1044 N1045 L1050 I1051 N1052 | D1044-K1048 WeakPolarHBondContact O-CB 3.15Å; D1044-K1048 VanDerWaalsContact O-CG 3.27Å; D1044-K1048 WeakPolarHBondContact O-CG 3.49Å; D1044-K1048 PolarHBondContact O-N 3.49Å; D1044-K1048 WeakPolarHBondContact OD1-CE 3.14Å; D1044-K1048 IonicContact OD1-NZ 2.83Å; D1044-K1048 VanDerWaalsContact OD2-CE 3.3Å; D1044-K1048 WeakPolarHBondContact OD2-CE 3.3Å; D1044-K1048 IonicContact OD2-NZ 2.77Å; D1044-K1048 PolarHBondContact OD2-NZ 3.47Å; N1045-K1048 PolarHBondContact O-N 3.05Å; K1048-L1050 VanDerWaalsContact C-N 3.32Å; K1048-I1051 PolarHBondContact O-N 2.95Å; K1048-N1052 WeakPolarHBondContact O-CB 3.2Å; K1048-N1052 PolarHBondContact O-N 3.41Å |
| 1049 | Q | 58.9 | Low | 53.9 | Low | 139 Ų | 139 | 81.5 Ų | 81.5 | 65% | 0.65 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -65 | -36.4 | 175 | -79.6 | -171.8 | 13.7 | 0 | 0 | 112 | N1045 E1046 L1047 K1053 | N1045-Q1049 WeakPolarHBondContact O-CB 3.27Å; N1045-Q1049 WeakPolarHBondContact O-CG 3.21Å; N1045-Q1049 PolarHBondContact O-N 2.97Å; E1046-Q1049 PolarHBondContact O-N 3.12Å; L1047-Q1049 VanDerWaalsContact C-N 3.28Å; L1047-Q1049 PolarHBondContact O-N 2.95Å; Q1049-K1053 WeakPolarHBondContact O-CA 3.42Å; Q1049-K1053 WeakPolarHBondContact O-CB 3.28Å; Q1049-K1053 PolarHBondContact O-N 3.21Å |
| 1050 | L | 50.4 | Low | 53.8 | Low | 94 Ų | 94 | 80.9 Ų | 80.9 | 49% | 0.492 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -72.3 | -39.9 | 175.7 | -79.4 | 162.4 | 0 | 0 | 0 | 112.8 | E1046 L1047 K1048 K1053 L1259 | E1046-L1050 PolarHBondContact O-N 3.02Å; L1047-L1050 PolarHBondContact O-N 3.26Å; L1047-L1050 VanDerWaalsContact O-N 3.13Å; K1048-L1050 VanDerWaalsContact C-N 3.32Å; L1050-K1053 VanDerWaalsContact O-O 3.07Å; L1050-L1259 HydrophobicContact CD1-CD2 3.7Å |
| 1051 | I | 51.5 | Low | 53.5 | Low | 64 Ų | 64 | 84.9 Ų | 84.9 | 33% | 0.328 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -65.8 | -41 | 175 | -67.6 | 166.8 | 0 | 0 | 0 | 110.6 | L1047 K1048 L1144 | L1047-I1051 HydrophobicContact CD2-CD1 3.99Å; L1047-I1051 HydrophobicContact CG-CD1 3.86Å; L1047-I1051 HydrophobicContact CG-CG1 4.37Å; L1047-I1051 VanDerWaalsContact O-CG1 3.3Å; L1047-I1051 WeakPolarHBondContact O-CG1 3.38Å; L1047-I1051 PolarHBondContact O-N 2.8Å; K1048-I1051 PolarHBondContact O-N 2.95Å; I1051-L1144 HydrophobicContact CG1-CD2 4.16Å |
| 1052 | N | 50.6 | Low | 53.2 | Low | 126 Ų | 126 | 82.2 Ų | 82.2 | 67% | 0.674 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -87.3 | -14 | -179.7 | -69.2 | -12 | 0 | 0 | 0 | 113.4 | K1048 P1054 | K1048-N1052 WeakPolarHBondContact O-CB 3.2Å; K1048-N1052 PolarHBondContact O-N 3.41Å; N1052-P1054 VanDerWaalsContact O-CD 3.26Å; N1052-P1054 WeakPolarHBondContact O-CD 3.4Å; N1052-P1054 WeakPolarHBondContact O-CG 3.45Å |
| 1053 | K | 46.4 | Very low | 53.3 | Low | 160 Ų | 160 | 80.7 Ų | 80.7 | 70% | 0.696 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -73.5 | 105.1 | 164.8 | -110 | -177.9 | 170.2 | 177.9 | 0 | 105.5 | Q1049 L1050 L1055 | Q1049-K1053 WeakPolarHBondContact O-CA 3.42Å; Q1049-K1053 WeakPolarHBondContact O-CB 3.28Å; Q1049-K1053 PolarHBondContact O-N 3.21Å; L1050-K1053 VanDerWaalsContact O-O 3.07Å; K1053-L1055 PolarHBondContact O-N 2.04Å; K1053-L1055 VanDerWaalsContact O-N 3.11Å |
| 1054 | P | 42.3 | Very low | 53.7 | Low | 57 Ų | 57 | 85 Ų | 85 | 37% | 0.37 | 44% | 0.435 | S | S | . | . | trans | -77.8 | 122.1 | -151.7 | -2.8 | 17.8 | 0 | 0 | 0 | 109.1 | N1052 T1056 C1057 | N1052-P1054 VanDerWaalsContact O-CD 3.26Å; N1052-P1054 WeakPolarHBondContact O-CD 3.4Å; N1052-P1054 WeakPolarHBondContact O-CG 3.45Å; P1054-T1056 HydrophobicContact CB-CG2 3.83Å; P1054-T1056 VanDerWaalsContact CB-N 3.26Å; P1054-T1056 WeakPolarHBondContact CB-OG1 3.14Å; P1054-T1056 PolarHBondContact O-N 3.47Å; P1054-C1057 PolarHBondContact O-N 3.24Å | ||
| 1055 | L | 44.8 | Very low | 53.4 | Low | 78 Ų | 78 | 86.6 Ų | 86.6 | 41% | 0.408 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | -22.7 | 141.7 | -143.6 | 84.8 | 0 | 0 | 0 | 108.9 | K1053 C1057 I1058 E1059 L1137 | K1053-L1055 PolarHBondContact O-N 2.04Å; K1053-L1055 VanDerWaalsContact O-N 3.11Å; L1055-C1057 VanDerWaalsContact C-N 3.29Å; L1055-C1057 PolarHBondContact O-N 3.45Å; L1055-I1058 CarbonylContact O-C 3.44Å; L1055-I1058 VanDerWaalsContact O-CA 3.29Å; L1055-I1058 WeakPolarHBondContact O-CA 3.15Å; L1055-I1058 WeakPolarHBondContact O-CB 3.24Å; L1055-I1058 PolarHBondContact O-N 3.28Å; L1055-E1059 WeakPolarHBondContact O-CB 3.25Å; L1055-E1059 PolarHBondContact O-N 3.39Å; L1055-L1137 HydrophobicContact CD2-CD2 4.13Å |
| 1056 | T | 43.9 | Very low | 53.3 | Low | 66 Ų | 66 | 83.1 Ų | 83.1 | 41% | 0.405 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -59.4 | -23.2 | 179 | 83.7 | 0 | 0 | 0 | 0 | 116.5 | P1054 I1058 E1059 N1060 | P1054-T1056 HydrophobicContact CB-CG2 3.83Å; P1054-T1056 VanDerWaalsContact CB-N 3.26Å; P1054-T1056 WeakPolarHBondContact CB-OG1 3.14Å; P1054-T1056 PolarHBondContact O-N 3.47Å; T1056-I1058 VanDerWaalsContact C-N 3.28Å; T1056-E1059 PolarHBondContact O-N 2.81Å; T1056-N1060 WeakPolarHBondContact O-CB 3.25Å; T1056-N1060 PolarHBondContact O-N 3.37Å |
| 1057 | C | 41.8 | Very low | 53.9 | Low | 94 Ų | 94 | 85 Ų | 85 | 64% | 0.635 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -66.7 | -37.5 | 169.1 | -66.4 | 0 | 0 | 0 | 0 | 110.4 | P1054 L1055 | P1054-C1057 PolarHBondContact O-N 3.24Å; L1055-C1057 VanDerWaalsContact C-N 3.29Å; L1055-C1057 PolarHBondContact O-N 3.45Å |
| 1058 | I | 46 | Very low | 54.2 | Low | 85 Ų | 85 | 90.2 Ų | 90.2 | 44% | 0.436 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -77.9 | -45.9 | 171.5 | -57.6 | 175.2 | 0 | 0 | 0 | 109 | L1055 T1056 N1060 D1061 Y1062 | L1055-I1058 CarbonylContact O-C 3.44Å; L1055-I1058 VanDerWaalsContact O-CA 3.29Å; L1055-I1058 WeakPolarHBondContact O-CA 3.15Å; L1055-I1058 WeakPolarHBondContact O-CB 3.24Å; L1055-I1058 PolarHBondContact O-N 3.28Å; T1056-I1058 VanDerWaalsContact C-N 3.28Å; I1058-N1060 PolarHBondContact O-N 3.09Å; I1058-D1061 PolarHBondContact O-N 3.39Å; I1058-Y1062 VanDerWaalsContact O-CA 3.3Å; I1058-Y1062 WeakPolarHBondContact O-CA 3.23Å; I1058-Y1062 WeakPolarHBondContact O-CB 3.36Å; I1058-Y1062 PolarHBondContact O-N 2.96Å |
| 1059 | E | 45.8 | Very low | 54.4 | Low | 81 Ų | 81 | 86 Ų | 86 | 38% | 0.379 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -64.6 | -39.6 | -170 | -137.6 | -178.7 | -179 | 0 | 0 | 112.6 | L1055 T1056 N1063 | L1055-E1059 WeakPolarHBondContact O-CB 3.25Å; L1055-E1059 PolarHBondContact O-N 3.39Å; T1056-E1059 PolarHBondContact O-N 2.81Å; E1059-N1063 WeakPolarHBondContact O-CA 3.48Å; E1059-N1063 WeakPolarHBondContact O-CB 3.44Å; E1059-N1063 PolarHBondContact O-N 3.09Å; E1059-N1063 PolarHBondContact O-ND2 3.29Å; E1059-N1063 VanDerWaalsContact O-ND2 3.13Å |
| 1060 | N | 55.3 | Low | 55 | Low | 114 Ų | 114 | 83.2 Ų | 83.2 | 61% | 0.61 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -71 | -46.2 | 179.1 | -82.1 | -18.6 | 0 | 0 | 0 | 112 | T1056 I1058 K1064 | T1056-N1060 WeakPolarHBondContact O-CB 3.25Å; T1056-N1060 PolarHBondContact O-N 3.37Å; I1058-N1060 PolarHBondContact O-N 3.09Å; N1060-K1064 WeakPolarHBondContact O-CB 3.47Å; N1060-K1064 PolarHBondContact O-N 2.77Å; N1060-K1064 VanDerWaalsContact O-N 3.13Å |
| 1061 | D | 54 | Low | 56 | Low | 101 Ų | 101 | 83.6 Ų | 83.6 | 54% | 0.54 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -70.1 | -38.9 | 176 | -91.5 | -7.5 | 0 | 0 | 0 | 111.1 | I1058 N1065 | I1058-D1061 PolarHBondContact O-N 3.39Å; D1061-N1065 WeakPolarHBondContact O-CB 3.49Å; D1061-N1065 PolarHBondContact O-N 3.39Å; D1061-N1065 PolarHBondContact O-ND2 3.3Å; D1061-N1065 VanDerWaalsContact O-ND2 3.09Å |
| 1062 | Y | 58.8 | Low | 56.6 | Low | 12 Ų | 12 | 81.7 Ų | 81.7 | 5% | 0.047 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -64.4 | -51.7 | 177.2 | 177.7 | -92.7 | 0 | 0 | 0 | 111.2 | I1058 K1064 N1065 M1066 I1133 L1137 F1273 | I1058-Y1062 VanDerWaalsContact O-CA 3.3Å; I1058-Y1062 WeakPolarHBondContact O-CA 3.23Å; I1058-Y1062 WeakPolarHBondContact O-CB 3.36Å; I1058-Y1062 PolarHBondContact O-N 2.96Å; Y1062-K1064 VanDerWaalsContact C-N 3.32Å; Y1062-K1064 PolarHBondContact O-N 3.16Å; Y1062-N1065 PolarHBondContact O-N 2.87Å; Y1062-M1066 HydrophobicContact CD1-CG 3.92Å; Y1062-M1066 HydrophobicContact CD2-CG 4.09Å; Y1062-M1066 HydrophobicContact CE1-CB 4.46Å; Y1062-M1066 HydrophobicContact CE1-CG 3.54Å; Y1062-M1066 HydrophobicContact CE2-CG 3.72Å; Y1062-M1066 HydrophobicContact CE2-SD 4.16Å; Y1062-M1066 HydrophobicContact CG-CG 4.16Å; Y1062-M1066 VanDerWaalsContact CZ-CG 3.42Å; Y1062-M1066 WeakPolarHBondContact O-CA 3.15Å; Y1062-M1066 WeakPolarHBondContact O-CB 3.34Å; Y1062-M1066 WeakPolarHBondContact O-CG 3.49Å; Y1062-M1066 PolarHBondContact O-N 2.87Å; Y1062-I1133 HydrophobicContact CE2-CG2 3.98Å; Y1062-I1133 WeakPolarHBondContact OH-CG2 3.38Å; Y1062-L1137 HydrophobicContact CD1-CD1 4.08Å; Y1062-L1137 HydrophobicContact CE1-CD1 3.26Å; Y1062-L1137 HydrophobicContact CE2-CD1 4.3Å; Y1062-L1137 VanDerWaalsContact CZ-CD1 3.4Å; Y1062-L1137 WeakPolarHBondContact OH-CD1 3.48Å; Y1062-F1273 AromaticContact CD2-CD2 3.66Å; Y1062-F1273 HydrophobicContact CD2-CD2 3.66Å; Y1062-F1273 AromaticContact CD2-CE2 3.74Å; Y1062-F1273 HydrophobicContact CD2-CE2 3.74Å; Y1062-F1273 AromaticContact CE2-CD2 4Å; Y1062-F1273 HydrophobicContact CE2-CD2 4Å; Y1062-F1273 HydrophobicContact CE2-CE2 4.36Å |
| 1063 | N | 62.8 | Low | 57.6 | Low | 73 Ų | 73 | 76.1 Ų | 76.1 | 39% | 0.39 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -61.9 | -43.1 | 179.7 | -71.2 | -21.3 | 0 | 0 | 0 | 110.5 | E1059 M1066 E1067 | E1059-N1063 WeakPolarHBondContact O-CA 3.48Å; E1059-N1063 WeakPolarHBondContact O-CB 3.44Å; E1059-N1063 PolarHBondContact O-N 3.09Å; E1059-N1063 PolarHBondContact O-ND2 3.29Å; E1059-N1063 VanDerWaalsContact O-ND2 3.13Å; N1063-M1066 PolarHBondContact O-N 2.93Å; N1063-E1067 WeakPolarHBondContact O-CB 3.31Å; N1063-E1067 WeakPolarHBondContact O-CG 3.47Å; N1063-E1067 PolarHBondContact O-N 2.75Å |
| 1064 | K | 65.6 | Low | 58.7 | Low | 127 Ų | 127 | 72.9 Ų | 72.9 | 55% | 0.552 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -64 | -45.4 | 177.4 | -173.2 | -178.7 | 178.4 | -173.8 | 0 | 112.3 | N1060 Y1062 Q1068 | N1060-K1064 WeakPolarHBondContact O-CB 3.47Å; N1060-K1064 PolarHBondContact O-N 2.77Å; N1060-K1064 VanDerWaalsContact O-N 3.13Å; Y1062-K1064 VanDerWaalsContact C-N 3.32Å; Y1062-K1064 PolarHBondContact O-N 3.16Å; K1064-Q1068 PolarHBondContact O-N 3.28Å; K1064-Q1068 VanDerWaalsContact O-N 3.11Å |
| 1065 | N | 62.1 | Low | 60.1 | Low | 58 Ų | 58 | 75.6 Ų | 75.6 | 31% | 0.31 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -68.1 | -37 | 177.8 | -69.3 | -20.4 | 0 | 0 | 0 | 111.3 | D1061 Y1062 Q1068 L1069 | D1061-N1065 WeakPolarHBondContact O-CB 3.49Å; D1061-N1065 PolarHBondContact O-N 3.39Å; D1061-N1065 PolarHBondContact O-ND2 3.3Å; D1061-N1065 VanDerWaalsContact O-ND2 3.09Å; Y1062-N1065 PolarHBondContact O-N 2.87Å; N1065-Q1068 PolarHBondContact O-N 2.86Å; N1065-L1069 WeakPolarHBondContact O-CB 3.38Å; N1065-L1069 PolarHBondContact O-N 3.02Å |
| 1066 | M | 63 | Low | 61.4 | Low | 14 Ų | 14 | 77.7 Ų | 77.7 | 7% | 0.069 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -68.5 | -39.1 | 176.2 | -79.9 | -67.2 | -65.3 | 0 | 0 | 112.7 | Y1062 N1063 L1069 Q1070 V1130 | Y1062-M1066 HydrophobicContact CD1-CG 3.92Å; Y1062-M1066 HydrophobicContact CD2-CG 4.09Å; Y1062-M1066 HydrophobicContact CE1-CB 4.46Å; Y1062-M1066 HydrophobicContact CE1-CG 3.54Å; Y1062-M1066 HydrophobicContact CE2-CG 3.72Å; Y1062-M1066 HydrophobicContact CE2-SD 4.16Å; Y1062-M1066 HydrophobicContact CG-CG 4.16Å; Y1062-M1066 VanDerWaalsContact CZ-CG 3.42Å; Y1062-M1066 WeakPolarHBondContact O-CA 3.15Å; Y1062-M1066 WeakPolarHBondContact O-CB 3.34Å; Y1062-M1066 WeakPolarHBondContact O-CG 3.49Å; Y1062-M1066 PolarHBondContact O-N 2.87Å; N1063-M1066 PolarHBondContact O-N 2.93Å; M1066-L1069 WeakPolarHBondContact O-CB 3.42Å; M1066-L1069 PolarHBondContact O-N 3.37Å; M1066-L1069 HydrophobicContact SD-CD2 3.99Å; M1066-Q1070 WeakPolarHBondContact O-CB 3.47Å; M1066-Q1070 PolarHBondContact O-N 3.48Å; M1066-V1130 HydrophobicContact CE-CB 4.38Å; M1066-V1130 HydrophobicContact CE-CG1 3.54Å; M1066-V1130 HydrophobicContact CE-CG2 4.33Å; M1066-V1130 HydrophobicContact SD-CG2 4.44Å |
| 1067 | E | 67.8 | Low | 62.6 | Low | 138 Ų | 138 | 74.7 Ų | 74.7 | 65% | 0.645 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -63.3 | -44.9 | 172.9 | -81.1 | -177.8 | 172 | 0 | 0 | 110.9 | N1063 L1069 Q1070 M1071 | N1063-E1067 WeakPolarHBondContact O-CB 3.31Å; N1063-E1067 WeakPolarHBondContact O-CG 3.47Å; N1063-E1067 PolarHBondContact O-N 2.75Å; E1067-L1069 VanDerWaalsContact C-N 3.31Å; E1067-L1069 PolarHBondContact O-N 3.05Å; E1067-Q1070 PolarHBondContact O-N 2.97Å; E1067-M1071 WeakPolarHBondContact O-CB 3.32Å; E1067-M1071 PolarHBondContact O-N 3.18Å |
| 1068 | Q | 65.5 | Low | 63.9 | Low | 120 Ų | 120 | 72.6 Ų | 72.6 | 56% | 0.561 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -61.7 | -39.2 | 173.9 | -84.9 | -170.2 | -30 | 0 | 0 | 112.8 | K1064 N1065 M1071 S1072 | K1064-Q1068 PolarHBondContact O-N 3.28Å; K1064-Q1068 VanDerWaalsContact O-N 3.11Å; N1065-Q1068 PolarHBondContact O-N 2.86Å; Q1068-M1071 PolarHBondContact O-N 3.23Å; Q1068-S1072 WeakPolarHBondContact O-CB 3.45Å; Q1068-S1072 PolarHBondContact O-N 3.42Å; Q1068-S1072 PolarHBondContact O-OG 2.02Å |
| 1069 | L | 65.9 | Low | 65 | Low | 5 Ų | 5 | 76.7 Ų | 76.7 | 3% | 0.026 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -66 | -49.2 | 178 | -172.1 | 65.7 | 0 | 0 | 0 | 110.9 | N1065 M1066 E1067 M1071 S1072 I1073 L1126 V1130 I1276 L1280 | N1065-L1069 WeakPolarHBondContact O-CB 3.38Å; N1065-L1069 PolarHBondContact O-N 3.02Å; M1066-L1069 WeakPolarHBondContact O-CB 3.42Å; M1066-L1069 PolarHBondContact O-N 3.37Å; M1066-L1069 HydrophobicContact SD-CD2 3.99Å; E1067-L1069 VanDerWaalsContact C-N 3.31Å; E1067-L1069 PolarHBondContact O-N 3.05Å; L1069-M1071 VanDerWaalsContact C-N 3.32Å; L1069-M1071 PolarHBondContact O-N 3.46Å; L1069-S1072 PolarHBondContact O-N 3.21Å; L1069-I1073 HydrophobicContact CD1-CD1 4.36Å; L1069-I1073 HydrophobicContact CG-CD1 3.96Å; L1069-I1073 VanDerWaalsContact O-CG1 3.29Å; L1069-I1073 WeakPolarHBondContact O-CG1 3.14Å; L1069-I1073 PolarHBondContact O-N 3.06Å; L1069-L1126 HydrophobicContact CD1-CD1 4.24Å; L1069-L1126 HydrophobicContact CD1-CD2 3.86Å; L1069-L1126 HydrophobicContact CD1-CG 4.36Å; L1069-V1130 HydrophobicContact CD2-CG2 3.41Å; L1069-V1130 VanDerWaalsContact CD2-CG2 3.41Å; L1069-V1130 HydrophobicContact CG-CG2 4.27Å; L1069-I1276 HydrophobicContact CD2-CG2 3.59Å; L1069-L1280 HydrophobicContact CD1-CB 4.33Å; L1069-L1280 HydrophobicContact CD1-CD1 3.44Å; L1069-L1280 VanDerWaalsContact CD1-CD1 3.44Å; L1069-L1280 HydrophobicContact CD1-CD2 4.13Å; L1069-L1280 HydrophobicContact CD1-CG 4.15Å |
| 1070 | Q | 70.9 | Confident | 65.9 | Low | 81 Ų | 81 | 73.3 Ų | 73.3 | 38% | 0.379 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -60 | -40.7 | 175.1 | -87 | -178.2 | -32.2 | 0 | 0 | 111.9 | M1066 E1067 S1072 I1073 N1074 | M1066-Q1070 WeakPolarHBondContact O-CB 3.47Å; M1066-Q1070 PolarHBondContact O-N 3.48Å; E1067-Q1070 PolarHBondContact O-N 2.97Å; Q1070-S1072 VanDerWaalsContact C-N 3.35Å; Q1070-S1072 PolarHBondContact O-N 2.83Å; Q1070-I1073 PolarHBondContact O-N 2.89Å; Q1070-N1074 WeakPolarHBondContact O-CB 3.43Å; Q1070-N1074 VanDerWaalsContact O-CG 3.23Å; Q1070-N1074 PolarHBondContact O-N 3.3Å; Q1070-N1074 PolarHBondContact O-ND2 2.99Å |
| 1071 | M | 70.5 | Confident | 66.5 | Low | 101 Ų | 101 | 68.6 Ų | 68.6 | 50% | 0.498 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -64 | -40.9 | 176.4 | -169.4 | -173.4 | -176.2 | 0 | 0 | 111.5 | E1067 Q1068 L1069 E1075 K1076 | E1067-M1071 WeakPolarHBondContact O-CB 3.32Å; E1067-M1071 PolarHBondContact O-N 3.18Å; Q1068-M1071 PolarHBondContact O-N 3.23Å; L1069-M1071 VanDerWaalsContact C-N 3.32Å; L1069-M1071 PolarHBondContact O-N 3.46Å; M1071-E1075 VanDerWaalsContact CE-OE2 3.27Å; M1071-E1075 WeakPolarHBondContact CE-OE2 3.42Å; M1071-E1075 WeakPolarHBondContact CG-OE2 3.37Å; M1071-E1075 WeakPolarHBondContact O-CB 3.47Å; M1071-E1075 PolarHBondContact O-N 3.5Å; M1071-K1076 PolarHBondContact O-N 3.29Å |
| 1072 | S | 65.9 | Low | 67.1 | Low | 24 Ų | 24 | 67.1 Ų | 67.1 | 17% | 0.168 | 32% | 0.324 | C | S | . | . | I | π-helix | trans | -67.1 | -39.5 | 177.6 | -60.2 | 0 | 0 | 0 | 0 | 112.3 | Q1068 L1069 Q1070 K1076 I1077 | Q1068-S1072 WeakPolarHBondContact O-CB 3.45Å; Q1068-S1072 PolarHBondContact O-N 3.42Å; Q1068-S1072 PolarHBondContact O-OG 2.02Å; L1069-S1072 PolarHBondContact O-N 3.21Å; Q1070-S1072 VanDerWaalsContact C-N 3.35Å; Q1070-S1072 PolarHBondContact O-N 2.83Å; S1072-K1076 WeakPolarHBondContact O-CB 3.31Å; S1072-K1076 PolarHBondContact O-N 3.21Å; S1072-I1077 PolarHBondContact O-N 3.49Å |
| 1073 | I | 70.3 | Confident | 67.5 | Low | 9 Ų | 9 | 70.1 Ų | 70.1 | 5% | 0.046 | 34% | 0.341 | C | S | . | . | I | π-helix | trans | -73.3 | -43.5 | 178.2 | -62.9 | 164 | 0 | 0 | 0 | 112.2 | L1069 Q1070 P1078 L1126 Q1127 V1130 | L1069-I1073 HydrophobicContact CD1-CD1 4.36Å; L1069-I1073 HydrophobicContact CG-CD1 3.96Å; L1069-I1073 VanDerWaalsContact O-CG1 3.29Å; L1069-I1073 WeakPolarHBondContact O-CG1 3.14Å; L1069-I1073 PolarHBondContact O-N 3.06Å; Q1070-I1073 PolarHBondContact O-N 2.89Å; I1073-P1078 WeakPolarHBondContact O-CD 3.01Å; I1073-P1078 WeakPolarHBondContact O-CG 3.31Å; I1073-L1126 HydrophobicContact CD1-CB 4.43Å; I1073-L1126 HydrophobicContact CD1-CD2 3.6Å; I1073-L1126 HydrophobicContact CD1-CG 3.65Å; I1073-L1126 HydrophobicContact CG1-CD2 3.65Å; I1073-L1126 HydrophobicContact CG1-CG 4.22Å; I1073-Q1127 VanDerWaalsContact CG2-OE1 3.25Å; I1073-V1130 HydrophobicContact CD1-CG2 4.37Å |
| 1074 | N | 70 | Confident | 67.7 | Low | 92 Ų | 92 | 68.2 Ų | 68.2 | 49% | 0.492 | 33% | 0.33 | S | S | . | . | I | π-helix | trans | -86.7 | -24.7 | -171.9 | -65 | -28.2 | 0 | 0 | 0 | 113.3 | Q1070 | Q1070-N1074 WeakPolarHBondContact O-CB 3.43Å; Q1070-N1074 VanDerWaalsContact O-CG 3.23Å; Q1070-N1074 PolarHBondContact O-N 3.3Å; Q1070-N1074 PolarHBondContact O-ND2 2.99Å |
| 1075 | E | 72.1 | Confident | 67.7 | Low | 115 Ų | 115 | 62.6 Ų | 62.6 | 54% | 0.537 | 31% | 0.308 | S | S | . | . | I | π-helix | trans | -116.6 | -51.4 | -177.1 | -60.1 | -173.5 | 158.6 | 0 | 0 | 113.4 | M1071 R1079 | M1071-E1075 VanDerWaalsContact CE-OE2 3.27Å; M1071-E1075 WeakPolarHBondContact CE-OE2 3.42Å; M1071-E1075 WeakPolarHBondContact CG-OE2 3.37Å; M1071-E1075 WeakPolarHBondContact O-CB 3.47Å; M1071-E1075 PolarHBondContact O-N 3.5Å; E1075-R1079 WeakPolarHBondContact O-CB 3.1Å; E1075-R1079 PolarHBondContact O-N 3.24Å |
| 1076 | K | 70.7 | Confident | 68.1 | Low | 122 Ų | 122 | 65.2 Ų | 65.2 | 53% | 0.53 | 32% | 0.318 | S | S | . | . | I | π-helix | trans | -73.5 | -49.2 | -171.1 | -67.1 | -175.5 | 177.6 | 178.3 | 0 | 113.1 | M1071 S1072 R1079 L1080 | M1071-K1076 PolarHBondContact O-N 3.29Å; S1072-K1076 WeakPolarHBondContact O-CB 3.31Å; S1072-K1076 PolarHBondContact O-N 3.21Å; K1076-R1079 PolarHBondContact O-N 3.42Å; K1076-L1080 PolarHBondContact O-N 3.14Å |
| 1077 | I | 69.4 | Low | 68.5 | Low | 2 Ų | 2 | 70.3 Ų | 70.3 | 1% | 0.01 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -62.6 | -49.1 | -178.7 | -70 | 173.5 | 0 | 0 | 0 | 111.7 | S1072 R1079 L1080 L1081 L1119 V1283 I1287 | S1072-I1077 PolarHBondContact O-N 3.49Å; I1077-R1079 VanDerWaalsContact C-N 3.32Å; I1077-R1079 PolarHBondContact O-N 2.03Å; I1077-L1080 PolarHBondContact O-N 3.22Å; I1077-L1081 HydrophobicContact CG2-CD1 3.54Å; I1077-L1081 HydrophobicContact CG2-CG 4.42Å; I1077-L1081 WeakPolarHBondContact O-CG 3.34Å; I1077-L1081 PolarHBondContact O-N 3.12Å; I1077-L1081 VanDerWaalsContact O-N 3.08Å; I1077-L1119 HydrophobicContact CG2-CG 4.45Å; I1077-V1283 HydrophobicContact CD1-CG1 3.78Å; I1077-I1287 HydrophobicContact CD1-CD1 4.33Å; I1077-I1287 HydrophobicContact CG1-CD1 3.83Å; I1077-I1287 HydrophobicContact CG1-CG1 4.44Å |
| 1078 | P | 69.1 | Low | 68.6 | Low | 51 Ų | 51 | 64 Ų | 64 | 33% | 0.331 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -58.1 | -44.3 | 179 | -28.1 | 37.5 | 0 | 0 | 0 | 111.8 | I1073 L1080 L1081 T1082 | I1073-P1078 WeakPolarHBondContact O-CD 3.01Å; I1073-P1078 WeakPolarHBondContact O-CG 3.31Å; P1078-L1080 VanDerWaalsContact C-N 3.35Å; P1078-L1080 PolarHBondContact O-N 3.29Å; P1078-L1081 PolarHBondContact O-N 3.22Å; P1078-T1082 WeakPolarHBondContact O-CB 3.33Å; P1078-T1082 WeakPolarHBondContact O-CG2 3.35Å; P1078-T1082 PolarHBondContact O-N 3.27Å; P1078-T1082 PolarHBondContact O-OG1 3.05Å |
| 1079 | R | 69.9 | Low | 68.9 | Low | 170 Ų | 170 | 59.1 Ų | 59.1 | 64% | 0.642 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -63.6 | -38.6 | -178.6 | -154.1 | 178.2 | -165.6 | 179 | 4.3 | 113 | E1075 K1076 I1077 D1083 D1084 | E1075-R1079 WeakPolarHBondContact O-CB 3.1Å; E1075-R1079 PolarHBondContact O-N 3.24Å; K1076-R1079 PolarHBondContact O-N 3.42Å; I1077-R1079 VanDerWaalsContact C-N 3.32Å; I1077-R1079 PolarHBondContact O-N 2.03Å; R1079-D1083 HydrophobicContact CG-CB 4.39Å; R1079-D1083 WeakPolarHBondContact CG-OD2 3.48Å; R1079-D1083 VanDerWaalsContact O-CB 3.32Å; R1079-D1083 WeakPolarHBondContact O-CB 3.33Å; R1079-D1083 PolarHBondContact O-N 2.96Å; R1079-D1084 PolarHBondContact O-N 3.09Å |
| 1080 | L | 63.5 | Low | 69.3 | Low | 10 Ų | 10 | 64.2 Ų | 64.2 | 5% | 0.052 | 31% | 0.309 | C | S | . | . | I | π-helix | trans | -64.2 | -44.4 | 175.3 | -124.7 | 149 | 0 | 0 | 0 | 111.3 | K1076 I1077 P1078 A1085 I1287 | K1076-L1080 PolarHBondContact O-N 3.14Å; I1077-L1080 PolarHBondContact O-N 3.22Å; P1078-L1080 VanDerWaalsContact C-N 3.35Å; P1078-L1080 PolarHBondContact O-N 3.29Å; L1080-A1085 WeakPolarHBondContact O-CB 3.4Å; L1080-A1085 PolarHBondContact O-N 3.28Å; L1080-I1287 HydrophobicContact CD1-CG2 3.76Å |
| 1081 | L | 68.2 | Low | 69.3 | Low | 15 Ų | 15 | 63.5 Ų | 63.5 | 8% | 0.079 | 31% | 0.307 | C | S | . | . | I | π-helix | trans | -70.7 | -43.8 | -179.4 | -71.9 | 163 | 0 | 0 | 0 | 112.7 | I1077 P1078 Q1086 S1116 L1119 N1120 | I1077-L1081 HydrophobicContact CG2-CD1 3.54Å; I1077-L1081 HydrophobicContact CG2-CG 4.42Å; I1077-L1081 WeakPolarHBondContact O-CG 3.34Å; I1077-L1081 PolarHBondContact O-N 3.12Å; I1077-L1081 VanDerWaalsContact O-N 3.08Å; P1078-L1081 PolarHBondContact O-N 3.22Å; L1081-Q1086 WeakPolarHBondContact O-CB 3.41Å; L1081-Q1086 PolarHBondContact O-N 3.4Å; L1081-S1116 WeakPolarHBondContact CD2-O 3.21Å; L1081-S1116 WeakPolarHBondContact CD2-OG 3.17Å; L1081-L1119 HydrophobicContact CD2-CB 4.32Å; L1081-L1119 HydrophobicContact CD2-CD2 3.96Å; L1081-L1119 HydrophobicContact CD2-CG 4.32Å; L1081-L1119 HydrophobicContact CG-CD2 4.05Å; L1081-N1120 WeakPolarHBondContact CD1-OD1 3.48Å |
| 1082 | T | 67.5 | Low | 69.2 | Low | 70 Ų | 70 | 58.8 Ų | 58.8 | 43% | 0.429 | 28% | 0.284 | S | S | . | . | I | π-helix | trans | -86.9 | -44.8 | -174.1 | 60.7 | 0 | 0 | 0 | 0 | 113.5 | P1078 Q1086 | P1078-T1082 WeakPolarHBondContact O-CB 3.33Å; P1078-T1082 WeakPolarHBondContact O-CG2 3.35Å; P1078-T1082 PolarHBondContact O-N 3.27Å; P1078-T1082 PolarHBondContact O-OG1 3.05Å; T1082-Q1086 WeakPolarHBondContact O-CB 3.31Å; T1082-Q1086 PolarHBondContact O-OE1 3.36Å |
| 1083 | D | 66.8 | Low | 69.5 | Low | 76 Ų | 76 | 62.7 Ų | 62.7 | 41% | 0.406 | 30% | 0.298 | S | S | . | . | I | π-helix | trans | -96.4 | -41.7 | -165.4 | -63.7 | -2.6 | 0 | 0 | 0 | 112.2 | R1079 R1087 | R1079-D1083 HydrophobicContact CG-CB 4.39Å; R1079-D1083 WeakPolarHBondContact CG-OD2 3.48Å; R1079-D1083 VanDerWaalsContact O-CB 3.32Å; R1079-D1083 WeakPolarHBondContact O-CB 3.33Å; R1079-D1083 PolarHBondContact O-N 2.96Å; D1083-R1087 WeakPolarHBondContact O-CB 3.19Å; D1083-R1087 PolarHBondContact O-NH1 2.94Å |
| 1084 | D | 67.7 | Low | 69.5 | Low | 32 Ų | 32 | 70.3 Ų | 70.3 | 17% | 0.171 | 33% | 0.327 | C | S | . | . | I | π-helix | trans | -97.5 | -54.2 | -172.8 | -77.2 | -28.8 | 0 | 0 | 0 | 112.5 | R1079 R1087 V1088 | R1079-D1084 PolarHBondContact O-N 3.09Å; D1084-R1087 IonicContact OD1-CZ 2.67Å; D1084-R1087 IonicContact OD1-NH1 3.97Å; D1084-R1087 IonicContact OD1-NH2 2.94Å; D1084-R1087 PolarHBondContact OD1-NH2 2.9Å; D1084-V1088 WeakPolarHBondContact O-CG2 3.36Å; D1084-V1088 PolarHBondContact O-N 3.48Å; D1084-V1088 VanDerWaalsContact O-N 3.1Å |
| 1085 | A | 65.7 | Low | 69.2 | Low | 10 Ų | 10 | 67.6 Ų | 67.6 | 8% | 0.083 | 31% | 0.313 | C | S | . | . | I | π-helix | trans | -68.2 | -47 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L1080 R1087 V1088 L1089 L1112 V1294 | L1080-A1085 WeakPolarHBondContact O-CB 3.4Å; L1080-A1085 PolarHBondContact O-N 3.28Å; A1085-R1087 VanDerWaalsContact C-N 3.33Å; A1085-R1087 PolarHBondContact O-N 3.29Å; A1085-V1088 PolarHBondContact O-N 3.33Å; A1085-L1089 VanDerWaalsContact O-CB 3.28Å; A1085-L1089 WeakPolarHBondContact O-CB 3.31Å; A1085-L1089 PolarHBondContact O-N 3.23Å; A1085-L1112 WeakPolarHBondContact O-CD2 3.37Å; A1085-V1294 HydrophobicContact CB-CG2 4.32Å |
| 1086 | Q | 69.7 | Low | 68.8 | Low | 112 Ų | 112 | 64.1 Ų | 64.1 | 52% | 0.523 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.1 | -40.4 | 178.4 | -121.2 | 178.1 | -15.7 | 0 | 0 | 112.3 | L1081 T1082 L1089 E1090 | L1081-Q1086 WeakPolarHBondContact O-CB 3.41Å; L1081-Q1086 PolarHBondContact O-N 3.4Å; T1082-Q1086 WeakPolarHBondContact O-CB 3.31Å; T1082-Q1086 PolarHBondContact O-OE1 3.36Å; Q1086-L1089 PolarHBondContact O-N 3.27Å; Q1086-E1090 WeakPolarHBondContact O-CB 3.42Å; Q1086-E1090 WeakPolarHBondContact O-CG 3.13Å; Q1086-E1090 PolarHBondContact O-N 2.69Å |
| 1087 | R | 72 | Confident | 68.2 | Low | 121 Ų | 121 | 63.5 Ų | 63.5 | 46% | 0.457 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -65.8 | -43.7 | 177.5 | -175.3 | 178 | 69.5 | -132.6 | -5.4 | 112.3 | D1083 D1084 A1085 N1091 | D1083-R1087 WeakPolarHBondContact O-CB 3.19Å; D1083-R1087 PolarHBondContact O-NH1 2.94Å; D1084-R1087 IonicContact OD1-CZ 2.67Å; D1084-R1087 IonicContact OD1-NH1 3.97Å; D1084-R1087 IonicContact OD1-NH2 2.94Å; D1084-R1087 PolarHBondContact OD1-NH2 2.9Å; A1085-R1087 VanDerWaalsContact C-N 3.33Å; A1085-R1087 PolarHBondContact O-N 3.29Å; R1087-N1091 WeakPolarHBondContact O-CB 3.47Å; R1087-N1091 VanDerWaalsContact O-CG 3.29Å; R1087-N1091 PolarHBondContact O-N 2.92Å; R1087-N1091 VanDerWaalsContact O-N 3.08Å |
| 1088 | V | 69.1 | Low | 67.9 | Low | 6 Ų | 6 | 68.1 Ų | 68.1 | 4% | 0.036 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -65.9 | -41.1 | 175.9 | 172 | 0 | 0 | 0 | 0 | 110.5 | D1084 A1085 N1091 L1092 L1112 V1294 A1297 L1301 | D1084-V1088 WeakPolarHBondContact O-CG2 3.36Å; D1084-V1088 PolarHBondContact O-N 3.48Å; D1084-V1088 VanDerWaalsContact O-N 3.1Å; A1085-V1088 PolarHBondContact O-N 3.33Å; V1088-N1091 PolarHBondContact O-N 3.39Å; V1088-L1092 HydrophobicContact CG1-CD1 4.03Å; V1088-L1092 WeakPolarHBondContact O-CB 3.44Å; V1088-L1092 PolarHBondContact O-N 3.24Å; V1088-L1112 HydrophobicContact CB-CD2 4.47Å; V1088-L1112 HydrophobicContact CG1-CD2 4.31Å; V1088-V1294 HydrophobicContact CG2-CG1 4.05Å; V1088-A1297 HydrophobicContact CG1-CB 3.9Å; V1088-L1301 HydrophobicContact CG1-CD1 4.34Å |
| 1089 | L | 72.7 | Confident | 67 | Low | 18 Ų | 18 | 67.4 Ų | 67.4 | 9% | 0.094 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -62.2 | -45.8 | 176.8 | -170.2 | 64.7 | 0 | 0 | 0 | 112.4 | A1085 Q1086 N1091 L1092 K1093 L1112 | A1085-L1089 VanDerWaalsContact O-CB 3.28Å; A1085-L1089 WeakPolarHBondContact O-CB 3.31Å; A1085-L1089 PolarHBondContact O-N 3.23Å; Q1086-L1089 PolarHBondContact O-N 3.27Å; L1089-N1091 VanDerWaalsContact C-N 3.34Å; L1089-L1092 PolarHBondContact O-N 2.87Å; L1089-K1093 HydrophobicContact CG-CD 4.3Å; L1089-K1093 WeakPolarHBondContact O-CB 3.31Å; L1089-K1093 VanDerWaalsContact O-CG 3.32Å; L1089-K1093 WeakPolarHBondContact O-CG 3.44Å; L1089-K1093 PolarHBondContact O-N 3.11Å; L1089-L1112 HydrophobicContact CB-CD2 3.83Å; L1089-L1112 HydrophobicContact CD1-CB 4.4Å; L1089-L1112 HydrophobicContact CD1-CD2 4.12Å |
| 1090 | E | 73.5 | Confident | 66.2 | Low | 111 Ų | 111 | 68.6 Ų | 68.6 | 52% | 0.519 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -58.9 | -44.7 | 175.2 | -82.7 | -91.9 | 137.4 | 0 | 0 | 111.3 | Q1086 K1093 R1094 | Q1086-E1090 WeakPolarHBondContact O-CB 3.42Å; Q1086-E1090 WeakPolarHBondContact O-CG 3.13Å; Q1086-E1090 PolarHBondContact O-N 2.69Å; E1090-K1093 PolarHBondContact O-N 2.9Å; E1090-R1094 PolarHBondContact O-N 3.23Å |
| 1091 | N | 70.9 | Confident | 65.7 | Low | 66 Ų | 66 | 73 Ų | 73 | 35% | 0.353 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -65.4 | -42.1 | 176.8 | -73.2 | -10.7 | 0 | 0 | 0 | 111.8 | R1087 V1088 L1089 R1094 T1095 L1301 | R1087-N1091 WeakPolarHBondContact O-CB 3.47Å; R1087-N1091 VanDerWaalsContact O-CG 3.29Å; R1087-N1091 PolarHBondContact O-N 2.92Å; R1087-N1091 VanDerWaalsContact O-N 3.08Å; V1088-N1091 PolarHBondContact O-N 3.39Å; L1089-N1091 VanDerWaalsContact C-N 3.34Å; N1091-R1094 PolarHBondContact O-N 3.17Å; N1091-T1095 WeakPolarHBondContact O-CB 3.17Å; N1091-T1095 PolarHBondContact O-N 3.17Å; N1091-T1095 PolarHBondContact O-OG1 3.05Å; N1091-L1301 HydrophobicContact CB-CD1 4.05Å; N1091-L1301 HydrophobicContact CB-CD2 4.36Å |
| 1092 | L | 69.2 | Low | 65.4 | Low | 2 Ų | 2 | 74.6 Ų | 74.6 | 1% | 0.01 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -62.5 | -46.3 | 175 | -117.6 | 124.5 | 0 | 0 | 0 | 111 | V1088 L1089 R1094 T1095 I1096 L1105 A1109 A1297 L1301 | V1088-L1092 HydrophobicContact CG1-CD1 4.03Å; V1088-L1092 WeakPolarHBondContact O-CB 3.44Å; V1088-L1092 PolarHBondContact O-N 3.24Å; L1089-L1092 PolarHBondContact O-N 2.87Å; L1092-R1094 PolarHBondContact O-N 2.79Å; L1092-T1095 PolarHBondContact O-N 3.01Å; L1092-T1095 VanDerWaalsContact O-N 3.16Å; L1092-I1096 HydrophobicContact CD2-CD1 4.13Å; L1092-I1096 WeakPolarHBondContact O-CB 3.34Å; L1092-I1096 WeakPolarHBondContact O-CG1 3.44Å; L1092-I1096 PolarHBondContact O-N 3.15Å; L1092-L1105 HydrophobicContact CD2-CB 4.33Å; L1092-L1105 HydrophobicContact CD2-CD2 3.91Å; L1092-L1105 WeakPolarHBondContact CD2-O 3.38Å; L1092-L1105 HydrophobicContact CG-CD2 4.36Å; L1092-A1109 HydrophobicContact CD2-CB 3.84Å; L1092-A1297 HydrophobicContact CD1-CB 3.91Å; L1092-L1301 HydrophobicContact CD1-CD1 3.81Å; L1092-L1301 HydrophobicContact CG-CD1 4.19Å |
| 1093 | K | 72.2 | Confident | 65.2 | Low | 106 Ų | 106 | 76 Ų | 76 | 46% | 0.461 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -61.2 | -41.5 | 177 | -76.8 | 176.9 | 178.8 | 176.4 | 0 | 112.4 | L1089 E1090 S1097 | L1089-K1093 HydrophobicContact CG-CD 4.3Å; L1089-K1093 WeakPolarHBondContact O-CB 3.31Å; L1089-K1093 VanDerWaalsContact O-CG 3.32Å; L1089-K1093 WeakPolarHBondContact O-CG 3.44Å; L1089-K1093 PolarHBondContact O-N 3.11Å; E1090-K1093 PolarHBondContact O-N 2.9Å; K1093-S1097 WeakPolarHBondContact O-CB 3.47Å; K1093-S1097 PolarHBondContact O-N 3.49Å; K1093-S1097 PolarHBondContact O-OG 3.4Å |
| 1094 | R | 69 | Low | 65 | Low | 170 Ų | 170 | 76.1 Ų | 76.1 | 64% | 0.642 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -60.3 | -46.3 | 172.5 | -96.3 | -171.6 | -168.9 | 139.6 | 8.8 | 111.6 | E1090 N1091 L1092 S1097 S1098 | E1090-R1094 PolarHBondContact O-N 3.23Å; N1091-R1094 PolarHBondContact O-N 3.17Å; L1092-R1094 PolarHBondContact O-N 2.79Å; R1094-S1097 WeakPolarHBondContact O-CB 3.44Å; R1094-S1097 PolarHBondContact O-N 3.13Å; R1094-S1097 VanDerWaalsContact O-N 3.13Å; R1094-S1098 PolarHBondContact O-N 3.37Å; R1094-S1098 VanDerWaalsContact O-N 3.12Å; R1094-S1098 PolarHBondContact O-OG 3.49Å |
| 1095 | T | 63.8 | Low | 64.9 | Low | 34 Ų | 34 | 74.8 Ų | 74.8 | 21% | 0.209 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -65.3 | -42.6 | -179 | -49.7 | 0 | 0 | 0 | 0 | 111.2 | N1091 L1092 S1097 S1098 S1099 L1105 L1304 | N1091-T1095 WeakPolarHBondContact O-CB 3.17Å; N1091-T1095 PolarHBondContact O-N 3.17Å; N1091-T1095 PolarHBondContact O-OG1 3.05Å; L1092-T1095 PolarHBondContact O-N 3.01Å; L1092-T1095 VanDerWaalsContact O-N 3.16Å; T1095-S1097 PolarHBondContact O-N 3.38Å; T1095-S1098 WeakPolarHBondContact CA-OG 3.44Å; T1095-S1098 CarbonylContact O-C 3.53Å; T1095-S1098 PolarHBondContact O-N 3.14Å; T1095-S1098 VanDerWaalsContact O-N 3.08Å; T1095-S1098 PolarHBondContact O-OG 3.47Å; T1095-S1099 WeakPolarHBondContact O-CB 3.36Å; T1095-S1099 PolarHBondContact O-N 3.38Å; T1095-S1099 PolarHBondContact O-OG 2.62Å; T1095-S1099 VanDerWaalsContact O-OG 3.08Å; T1095-L1105 HydrophobicContact CG2-CD1 4.04Å; T1095-L1304 HydrophobicContact CG2-CD1 4.35Å |
| 1096 | I | 63.8 | Low | 65.2 | Low | 43 Ų | 43 | 76.7 Ų | 76.7 | 22% | 0.221 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -60.6 | -34.1 | 173 | -68.4 | 163.3 | 0 | 0 | 0 | 111.4 | L1092 S1098 L1105 A1109 | L1092-I1096 HydrophobicContact CD2-CD1 4.13Å; L1092-I1096 WeakPolarHBondContact O-CB 3.34Å; L1092-I1096 WeakPolarHBondContact O-CG1 3.44Å; L1092-I1096 PolarHBondContact O-N 3.15Å; I1096-S1098 VanDerWaalsContact C-N 3.31Å; I1096-L1105 HydrophobicContact CD1-CB 4.23Å; I1096-L1105 HydrophobicContact CG1-CB 3.72Å; I1096-L1105 HydrophobicContact CG1-CD1 4.32Å; I1096-A1109 HydrophobicContact CD1-CB 3.68Å |
| 1097 | S | 59.3 | Low | 65.5 | Low | 109 Ų | 109 | 77.4 Ų | 77.4 | 76% | 0.762 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -72.6 | -25.8 | 177 | -56.1 | 0 | 0 | 0 | 0 | 112.6 | K1093 R1094 T1095 | K1093-S1097 WeakPolarHBondContact O-CB 3.47Å; K1093-S1097 PolarHBondContact O-N 3.49Å; K1093-S1097 PolarHBondContact O-OG 3.4Å; R1094-S1097 WeakPolarHBondContact O-CB 3.44Å; R1094-S1097 PolarHBondContact O-N 3.13Å; R1094-S1097 VanDerWaalsContact O-N 3.13Å; T1095-S1097 PolarHBondContact O-N 3.38Å |
| 1098 | S | 61.3 | Low | 65.4 | Low | 98 Ų | 98 | 74.3 Ų | 74.3 | 69% | 0.685 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -94.8 | -29 | 177.5 | 54.5 | 0 | 0 | 0 | 0 | 114.1 | R1094 T1095 I1096 | R1094-S1098 PolarHBondContact O-N 3.37Å; R1094-S1098 VanDerWaalsContact O-N 3.12Å; R1094-S1098 PolarHBondContact O-OG 3.49Å; T1095-S1098 WeakPolarHBondContact CA-OG 3.44Å; T1095-S1098 CarbonylContact O-C 3.53Å; T1095-S1098 PolarHBondContact O-N 3.14Å; T1095-S1098 VanDerWaalsContact O-N 3.08Å; T1095-S1098 PolarHBondContact O-OG 3.47Å; I1096-S1098 VanDerWaalsContact C-N 3.31Å |
| 1099 | S | 51.5 | Low | 65.5 | Low | 37 Ų | 37 | 74.4 Ų | 74.4 | 26% | 0.259 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -98.2 | 117.7 | 176.9 | 73.2 | 0 | 0 | 0 | 0 | 108.8 | T1095 S1101 | T1095-S1099 WeakPolarHBondContact O-CB 3.36Å; T1095-S1099 PolarHBondContact O-N 3.38Å; T1095-S1099 PolarHBondContact O-OG 2.62Å; T1095-S1099 VanDerWaalsContact O-OG 3.08Å; S1099-S1101 PolarHBondContact O-N 3.1Å |
| 1100 | E | 53 | Low | 65.7 | Low | 194 Ų | 194 | 78.2 Ų | 78.2 | 91% | 0.907 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46.7 | 104.9 | 176.2 | -69.6 | 179.3 | 151.9 | 0 | 0 | 111.5 | D1102 | E1100-D1102 PolarHBondContact O-N 2.88Š|
| 1101 | S | 53.7 | Low | 65.6 | Low | 104 Ų | 104 | 76.7 Ų | 76.7 | 73% | 0.727 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 30.6 | 52.3 | 168.4 | -51.9 | 0 | 0 | 0 | 0 | 117.5 | S1099 P1103 | S1099-S1101 PolarHBondContact O-N 3.1Å; S1101-P1103 VanDerWaalsContact O-CD 3.32Å; S1101-P1103 WeakPolarHBondContact O-CD 3.45Å |
| 1102 | D | 60.5 | Low | 65.8 | Low | 47 Ų | 47 | 74 Ų | 74 | 25% | 0.251 | 40% | 0.395 | S | S | . | . | trans | -63.2 | 120.5 | 175.1 | -177.3 | -68.5 | 0 | 0 | 0 | 110.2 | E1100 I1104 L1105 T1106 | E1100-D1102 PolarHBondContact O-N 2.88Å; D1102-I1104 VanDerWaalsContact C-N 3.29Å; D1102-I1104 PolarHBondContact O-N 2.99Å; D1102-I1104 VanDerWaalsContact OD1-CA 3.32Å; D1102-I1104 WeakPolarHBondContact OD1-CA 3.47Å; D1102-I1104 VanDerWaalsContact OD1-CB 3.26Å; D1102-I1104 WeakPolarHBondContact OD1-CB 3.3Å; D1102-I1104 PolarHBondContact OD1-N 3.28Å; D1102-L1105 HydrophobicContact CB-CB 4.12Å; D1102-L1105 HydrophobicContact CB-CD1 4.01Å; D1102-L1105 HydrophobicContact CB-CG 4.14Å; D1102-L1105 PolarHBondContact O-N 2.93Å; D1102-L1105 PolarHBondContact OD1-N 3.03Å; D1102-T1106 WeakPolarHBondContact O-CB 3.36Å; D1102-T1106 PolarHBondContact O-N 2.65Å; D1102-T1106 PolarHBondContact O-OG1 2.02Å | ||
| 1103 | P | 64.3 | Low | 66.2 | Low | 100 Ų | 100 | 77.4 Ų | 77.4 | 65% | 0.649 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -69 | -25.6 | -175.3 | 18.5 | -22.2 | 0 | 0 | 0 | 113.3 | S1101 K1107 | S1101-P1103 VanDerWaalsContact O-CD 3.32Å; S1101-P1103 WeakPolarHBondContact O-CD 3.45Å; P1103-K1107 WeakPolarHBondContact O-CB 3.26Å; P1103-K1107 PolarHBondContact O-N 3.06Å |
| 1104 | I | 63.1 | Low | 66.5 | Low | 78 Ų | 78 | 77.7 Ų | 77.7 | 40% | 0.4 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -75.5 | -45.8 | 178.4 | -59.5 | 175 | 0 | 0 | 0 | 109.9 | D1102 T1106 K1107 Y1108 W1300 | D1102-I1104 VanDerWaalsContact C-N 3.29Å; D1102-I1104 PolarHBondContact O-N 2.99Å; D1102-I1104 VanDerWaalsContact OD1-CA 3.32Å; D1102-I1104 WeakPolarHBondContact OD1-CA 3.47Å; D1102-I1104 VanDerWaalsContact OD1-CB 3.26Å; D1102-I1104 WeakPolarHBondContact OD1-CB 3.3Å; D1102-I1104 PolarHBondContact OD1-N 3.28Å; I1104-T1106 VanDerWaalsContact C-N 3.28Å; I1104-T1106 PolarHBondContact O-N 3.26Å; I1104-K1107 WeakPolarHBondContact O-CB 3.35Å; I1104-K1107 PolarHBondContact O-N 2.88Å; I1104-K1107 VanDerWaalsContact O-N 3.16Å; I1104-Y1108 HydrophobicContact CG2-CD2 3.77Å; I1104-Y1108 HydrophobicContact CG2-CE2 3.55Å; I1104-Y1108 WeakPolarHBondContact O-CD2 3.45Å; I1104-Y1108 PolarHBondContact O-N 3.08Å; I1104-W1300 HydrophobicContact CD1-CZ2 4.32Å; I1104-W1300 HydrophobicContact CG2-CH2 4.39Å; I1104-W1300 HydrophobicContact CG2-CZ2 4.12Å |
| 1105 | L | 65.2 | Low | 66.6 | Low | 4 Ų | 4 | 71.7 Ų | 71.7 | 2% | 0.021 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -59.8 | -42.7 | 174 | -75.5 | -179.8 | 0 | 0 | 0 | 111.4 | L1092 T1095 I1096 D1102 K1107 Y1108 A1109 W1300 L1304 | L1092-L1105 HydrophobicContact CD2-CB 4.33Å; L1092-L1105 HydrophobicContact CD2-CD2 3.91Å; L1092-L1105 WeakPolarHBondContact CD2-O 3.38Å; L1092-L1105 HydrophobicContact CG-CD2 4.36Å; T1095-L1105 HydrophobicContact CG2-CD1 4.04Å; I1096-L1105 HydrophobicContact CD1-CB 4.23Å; I1096-L1105 HydrophobicContact CG1-CB 3.72Å; I1096-L1105 HydrophobicContact CG1-CD1 4.32Å; D1102-L1105 HydrophobicContact CB-CB 4.12Å; D1102-L1105 HydrophobicContact CB-CD1 4.01Å; D1102-L1105 HydrophobicContact CB-CG 4.14Å; D1102-L1105 PolarHBondContact O-N 2.93Å; D1102-L1105 PolarHBondContact OD1-N 3.03Å; L1105-K1107 VanDerWaalsContact C-N 3.31Å; L1105-K1107 PolarHBondContact O-N 3.46Å; L1105-Y1108 PolarHBondContact O-N 3.25Å; L1105-A1109 WeakPolarHBondContact O-CB 3.44Å; L1105-A1109 PolarHBondContact O-N 3.27Å; L1105-W1300 HydrophobicContact CD2-CE3 4.33Å; L1105-L1304 HydrophobicContact CD1-CD1 3.79Å; L1105-L1304 HydrophobicContact CD2-CD1 3.61Å; L1105-L1304 HydrophobicContact CG-CD1 4.02Å |
| 1106 | T | 71.9 | Confident | 67 | Low | 51 Ų | 51 | 71.4 Ų | 71.4 | 31% | 0.313 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -60.6 | -42.3 | 175.8 | -54 | 0 | 0 | 0 | 0 | 111 | D1102 I1104 A1109 N1110 | D1102-T1106 WeakPolarHBondContact O-CB 3.36Å; D1102-T1106 PolarHBondContact O-N 2.65Å; D1102-T1106 PolarHBondContact O-OG1 2.02Å; I1104-T1106 VanDerWaalsContact C-N 3.28Å; I1104-T1106 PolarHBondContact O-N 3.26Å; T1106-A1109 PolarHBondContact O-N 3.09Å; T1106-N1110 WeakPolarHBondContact O-CB 3.33Å; T1106-N1110 PolarHBondContact O-N 3.07Å; T1106-N1110 PolarHBondContact O-ND2 3.35Å |
| 1107 | K | 75.4 | Confident | 67.8 | Low | 126 Ų | 126 | 74.6 Ų | 74.6 | 55% | 0.548 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -59.9 | -51.6 | 174.8 | 178.8 | -177.3 | 169.2 | -177.7 | 0 | 111.8 | P1103 I1104 L1105 A1109 N1110 E1111 | P1103-K1107 WeakPolarHBondContact O-CB 3.26Å; P1103-K1107 PolarHBondContact O-N 3.06Å; I1104-K1107 WeakPolarHBondContact O-CB 3.35Å; I1104-K1107 PolarHBondContact O-N 2.88Å; I1104-K1107 VanDerWaalsContact O-N 3.16Å; L1105-K1107 VanDerWaalsContact C-N 3.31Å; L1105-K1107 PolarHBondContact O-N 3.46Å; K1107-A1109 VanDerWaalsContact C-N 3.35Å; K1107-A1109 PolarHBondContact O-N 3.11Å; K1107-N1110 PolarHBondContact O-N 2.86Å; K1107-E1111 WeakPolarHBondContact CE-OE1 3.4Å; K1107-E1111 HydrophobicContact CG-CG 4.49Å; K1107-E1111 IonicContact NZ-OE1 2.68Å; K1107-E1111 WeakPolarHBondContact O-CG 3.39Å; K1107-E1111 PolarHBondContact O-N 2.73Å |
| 1108 | Y | 71.1 | Confident | 68.4 | Low | 56 Ų | 56 | 73.2 Ų | 73.2 | 22% | 0.22 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -63.3 | -39 | 179.3 | -78.8 | -63.1 | 0 | 0 | 0 | 112.8 | I1104 L1105 N1110 E1111 L1112 W1300 | I1104-Y1108 HydrophobicContact CG2-CD2 3.77Å; I1104-Y1108 HydrophobicContact CG2-CE2 3.55Å; I1104-Y1108 WeakPolarHBondContact O-CD2 3.45Å; I1104-Y1108 PolarHBondContact O-N 3.08Å; L1105-Y1108 PolarHBondContact O-N 3.25Å; Y1108-N1110 VanDerWaalsContact C-N 3.34Å; Y1108-N1110 PolarHBondContact O-N 2.83Å; Y1108-E1111 PolarHBondContact O-N 3.45Å; Y1108-L1112 WeakPolarHBondContact O-CB 3.39Å; Y1108-L1112 PolarHBondContact O-N 2.89Å; Y1108-W1300 HydrophobicContact CE2-CG 4.35Å |
| 1109 | A | 71.1 | Confident | 69.1 | Low | 8 Ų | 8 | 68.8 Ų | 68.8 | 7% | 0.066 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -62.3 | -42.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L1092 I1096 L1105 T1106 K1107 N1113 | L1092-A1109 HydrophobicContact CD2-CB 3.84Å; I1096-A1109 HydrophobicContact CD1-CB 3.68Å; L1105-A1109 WeakPolarHBondContact O-CB 3.44Å; L1105-A1109 PolarHBondContact O-N 3.27Å; T1106-A1109 PolarHBondContact O-N 3.09Å; K1107-A1109 VanDerWaalsContact C-N 3.35Å; K1107-A1109 PolarHBondContact O-N 3.11Å; A1109-N1113 VanDerWaalsContact O-CB 3.32Å; A1109-N1113 WeakPolarHBondContact O-CB 3.28Å; A1109-N1113 PolarHBondContact O-N 3.18Å |
| 1110 | N | 75.4 | Confident | 70.3 | Confident | 98 Ų | 98 | 70.5 Ų | 70.5 | 52% | 0.524 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -66.7 | -45.1 | 177.1 | -69.5 | -20.2 | 0 | 0 | 0 | 111.6 | T1106 K1107 Y1108 L1112 N1113 E1114 | T1106-N1110 WeakPolarHBondContact O-CB 3.33Å; T1106-N1110 PolarHBondContact O-N 3.07Å; T1106-N1110 PolarHBondContact O-ND2 3.35Å; K1107-N1110 PolarHBondContact O-N 2.86Å; Y1108-N1110 VanDerWaalsContact C-N 3.34Å; Y1108-N1110 PolarHBondContact O-N 2.83Å; N1110-L1112 PolarHBondContact O-N 3.09Å; N1110-N1113 PolarHBondContact O-N 3.24Å; N1110-E1114 PolarHBondContact O-N 3.41Å |
| 1111 | E | 72.8 | Confident | 71.4 | Confident | 80 Ų | 80 | 66.1 Ų | 66.1 | 37% | 0.374 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -58.9 | -45.8 | 176 | -76 | 177 | 179.6 | 0 | 0 | 111.5 | K1107 Y1108 N1113 L1115 | K1107-E1111 WeakPolarHBondContact CE-OE1 3.4Å; K1107-E1111 HydrophobicContact CG-CG 4.49Å; K1107-E1111 IonicContact NZ-OE1 2.68Å; K1107-E1111 WeakPolarHBondContact O-CG 3.39Å; K1107-E1111 PolarHBondContact O-N 2.73Å; Y1108-E1111 PolarHBondContact O-N 3.45Å; E1111-N1113 VanDerWaalsContact C-N 3.33Å; E1111-N1113 PolarHBondContact O-N 3.43Å; E1111-L1115 VanDerWaalsContact O-CB 3.29Å; E1111-L1115 WeakPolarHBondContact O-CB 3.33Å; E1111-L1115 PolarHBondContact O-N 2.97Å |
| 1112 | L | 74.3 | Confident | 72.4 | Confident | 8 Ų | 8 | 64.7 Ų | 64.7 | 4% | 0.042 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -65.1 | -37.3 | 179.1 | -151.4 | 95.2 | 0 | 0 | 0 | 112.1 | A1085 V1088 L1089 Y1108 N1110 S1116 T1293 V1294 A1297 | A1085-L1112 WeakPolarHBondContact O-CD2 3.37Å; V1088-L1112 HydrophobicContact CB-CD2 4.47Å; V1088-L1112 HydrophobicContact CG1-CD2 4.31Å; L1089-L1112 HydrophobicContact CB-CD2 3.83Å; L1089-L1112 HydrophobicContact CD1-CB 4.4Å; L1089-L1112 HydrophobicContact CD1-CD2 4.12Å; Y1108-L1112 WeakPolarHBondContact O-CB 3.39Å; Y1108-L1112 PolarHBondContact O-N 2.89Å; N1110-L1112 PolarHBondContact O-N 3.09Å; L1112-S1116 VanDerWaalsContact O-CB 3.3Å; L1112-S1116 WeakPolarHBondContact O-CB 3.18Å; L1112-S1116 PolarHBondContact O-N 3.2Å; L1112-T1293 HydrophobicContact CD1-CG2 4.01Å; L1112-V1294 HydrophobicContact CD1-CG2 3.9Å; L1112-A1297 HydrophobicContact CD1-CB 4.45Å |
| 1113 | N | 77.9 | Confident | 72.9 | Confident | 75 Ų | 75 | 63.3 Ų | 63.3 | 40% | 0.401 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -69.6 | -45.3 | 179.2 | -169.9 | 54.6 | 0 | 0 | 0 | 112 | A1109 N1110 E1111 S1116 K1117 | A1109-N1113 VanDerWaalsContact O-CB 3.32Å; A1109-N1113 WeakPolarHBondContact O-CB 3.28Å; A1109-N1113 PolarHBondContact O-N 3.18Å; N1110-N1113 PolarHBondContact O-N 3.24Å; E1111-N1113 VanDerWaalsContact C-N 3.33Å; E1111-N1113 PolarHBondContact O-N 3.43Å; N1113-S1116 PolarHBondContact O-N 2.89Å; N1113-K1117 PolarHBondContact O-N 2.88Å |
| 1114 | E | 78.1 | Confident | 73.6 | Confident | 112 Ų | 112 | 64.3 Ų | 64.3 | 52% | 0.523 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -63.8 | -43.3 | 175.4 | -76.1 | -56.6 | 137.3 | 0 | 0 | 111.6 | N1110 S1116 K1117 E1118 | N1110-E1114 PolarHBondContact O-N 3.41Å; E1114-S1116 VanDerWaalsContact C-N 3.33Å; E1114-S1116 PolarHBondContact O-N 3.27Å; E1114-K1117 WeakPolarHBondContact O-CB 3.4Å; E1114-K1117 PolarHBondContact O-N 3.49Å; E1114-E1118 PolarHBondContact O-N 3.42Å |
| 1115 | L | 71.4 | Confident | 74.3 | Confident | 43 Ų | 43 | 65.7 Ų | 65.7 | 23% | 0.225 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.6 | -39.6 | 177.9 | -153 | 87.7 | 0 | 0 | 0 | 112.2 | E1111 K1117 E1118 L1119 S1290 | E1111-L1115 VanDerWaalsContact O-CB 3.29Å; E1111-L1115 WeakPolarHBondContact O-CB 3.33Å; E1111-L1115 PolarHBondContact O-N 2.97Å; L1115-K1117 VanDerWaalsContact C-N 3.32Å; L1115-K1117 PolarHBondContact O-N 3.01Å; L1115-E1118 PolarHBondContact O-N 3.4Å; L1115-L1119 WeakPolarHBondContact O-CB 3.05Å; L1115-L1119 PolarHBondContact O-N 2.75Å; L1115-S1290 WeakPolarHBondContact CD2-OG 3.49Å |
| 1116 | S | 73 | Confident | 74.7 | Confident | 29 Ų | 29 | 65.6 Ų | 65.6 | 20% | 0.203 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.6 | -37.8 | 175.2 | -177.3 | 0 | 0 | 0 | 0 | 112.2 | L1081 L1112 N1113 E1114 N1120 | L1081-S1116 WeakPolarHBondContact CD2-O 3.21Å; L1081-S1116 WeakPolarHBondContact CD2-OG 3.17Å; L1112-S1116 VanDerWaalsContact O-CB 3.3Å; L1112-S1116 WeakPolarHBondContact O-CB 3.18Å; L1112-S1116 PolarHBondContact O-N 3.2Å; N1113-S1116 PolarHBondContact O-N 2.89Å; E1114-S1116 VanDerWaalsContact C-N 3.33Å; E1114-S1116 PolarHBondContact O-N 3.27Å; S1116-N1120 PolarHBondContact O-N 3.41Å |
| 1117 | K | 78.9 | Confident | 75 | Confident | 109 Ų | 109 | 65.8 Ų | 65.8 | 47% | 0.474 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -67 | -46.2 | 175.5 | -174.2 | -174.5 | 172.7 | -165.3 | 0 | 110.9 | N1113 E1114 L1115 L1119 N1120 E1121 | N1113-K1117 PolarHBondContact O-N 2.88Å; E1114-K1117 WeakPolarHBondContact O-CB 3.4Å; E1114-K1117 PolarHBondContact O-N 3.49Å; L1115-K1117 VanDerWaalsContact C-N 3.32Å; L1115-K1117 PolarHBondContact O-N 3.01Å; K1117-L1119 PolarHBondContact O-N 3.36Å; K1117-N1120 WeakPolarHBondContact O-CB 3.48Å; K1117-N1120 PolarHBondContact O-N 2.9Å; K1117-E1121 VanDerWaalsContact CE-OE1 3.27Å; K1117-E1121 WeakPolarHBondContact CE-OE1 3.47Å; K1117-E1121 PolarHBondContact O-N 2.83Å |
| 1118 | E | 73.5 | Confident | 75.2 | Confident | 80 Ų | 80 | 66.7 Ų | 66.7 | 37% | 0.374 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -61.6 | -42.7 | 178.6 | -164.6 | -173 | 166.9 | 0 | 0 | 112.1 | E1114 L1115 N1120 E1121 R1122 | E1114-E1118 PolarHBondContact O-N 3.42Å; L1115-E1118 PolarHBondContact O-N 3.4Å; E1118-N1120 VanDerWaalsContact C-N 3.35Å; E1118-N1120 PolarHBondContact O-N 2.88Å; E1118-E1121 PolarHBondContact O-N 3.13Å; E1118-R1122 WeakPolarHBondContact O-CB 3.37Å; E1118-R1122 VanDerWaalsContact O-CG 3.27Å; E1118-R1122 WeakPolarHBondContact O-CG 3.45Å; E1118-R1122 PolarHBondContact O-N 2.73Å; E1118-R1122 IonicContact OE1-CZ 2.88Å; E1118-R1122 IonicContact OE1-NE 2.72Å; E1118-R1122 PolarHBondContact OE1-NE 3.09Å; E1118-R1122 IonicContact OE1-NH2 3.58Å; E1118-R1122 PolarHBondContact OE1-NH2 3.21Å |
| 1119 | L | 75.8 | Confident | 75.3 | Confident | 5 Ų | 5 | 67.1 Ų | 67.1 | 3% | 0.026 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.2 | -39.6 | 176.7 | -176.5 | 62.8 | 0 | 0 | 0 | 112.1 | I1077 L1081 L1115 K1117 S1123 A1286 I1287 | I1077-L1119 HydrophobicContact CG2-CG 4.45Å; L1081-L1119 HydrophobicContact CD2-CB 4.32Å; L1081-L1119 HydrophobicContact CD2-CD2 3.96Å; L1081-L1119 HydrophobicContact CD2-CG 4.32Å; L1081-L1119 HydrophobicContact CG-CD2 4.05Å; L1115-L1119 WeakPolarHBondContact O-CB 3.05Å; L1115-L1119 PolarHBondContact O-N 2.75Å; K1117-L1119 PolarHBondContact O-N 3.36Å; L1119-S1123 VanDerWaalsContact O-CB 3.29Å; L1119-S1123 WeakPolarHBondContact O-CB 3.25Å; L1119-S1123 PolarHBondContact O-N 3.29Å; L1119-A1286 HydrophobicContact CD1-CB 4.43Å; L1119-I1287 HydrophobicContact CD1-CG1 3.96Å |
| 1120 | N | 76 | Confident | 75.5 | Confident | 74 Ų | 74 | 66.8 Ų | 66.8 | 40% | 0.396 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -63.2 | -50.4 | 174.7 | -96.8 | -33.1 | 0 | 0 | 0 | 112.2 | L1081 S1116 K1117 E1118 R1122 S1123 E1124 | L1081-N1120 WeakPolarHBondContact CD1-OD1 3.48Å; S1116-N1120 PolarHBondContact O-N 3.41Å; K1117-N1120 WeakPolarHBondContact O-CB 3.48Å; K1117-N1120 PolarHBondContact O-N 2.9Å; E1118-N1120 VanDerWaalsContact C-N 3.35Å; E1118-N1120 PolarHBondContact O-N 2.88Å; N1120-R1122 VanDerWaalsContact C-N 3.32Å; N1120-R1122 PolarHBondContact O-N 3.3Å; N1120-S1123 WeakPolarHBondContact O-CB 3.43Å; N1120-S1123 PolarHBondContact O-N 3.26Å; N1120-E1124 PolarHBondContact O-N 3.19Å |
| 1121 | E | 76.8 | Confident | 75.6 | Confident | 101 Ų | 101 | 65.8 Ų | 65.8 | 47% | 0.472 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -60.2 | -42.3 | 179.7 | -72.6 | 177.9 | -174.5 | 0 | 0 | 111.5 | K1117 E1118 E1124 Q1125 | K1117-E1121 VanDerWaalsContact CE-OE1 3.27Å; K1117-E1121 WeakPolarHBondContact CE-OE1 3.47Å; K1117-E1121 PolarHBondContact O-N 2.83Å; E1118-E1121 PolarHBondContact O-N 3.13Å; E1121-E1124 PolarHBondContact O-N 3.14Å; E1121-Q1125 WeakPolarHBondContact O-CG 3.48Å; E1121-Q1125 PolarHBondContact O-N 3.35Å; E1121-Q1125 VanDerWaalsContact O-N 3.15Å |
| 1122 | R | 73.8 | Confident | 75.7 | Confident | 75 Ų | 75 | 64 Ų | 64 | 28% | 0.283 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -66.9 | -38.7 | 177.2 | -71.1 | 173.5 | 179.6 | -97.5 | 4.3 | 112.5 | E1118 N1120 Q1125 L1126 V1283 | E1118-R1122 WeakPolarHBondContact O-CB 3.37Å; E1118-R1122 VanDerWaalsContact O-CG 3.27Å; E1118-R1122 WeakPolarHBondContact O-CG 3.45Å; E1118-R1122 PolarHBondContact O-N 2.73Å; E1118-R1122 IonicContact OE1-CZ 2.88Å; E1118-R1122 IonicContact OE1-NE 2.72Å; E1118-R1122 PolarHBondContact OE1-NE 3.09Å; E1118-R1122 IonicContact OE1-NH2 3.58Å; E1118-R1122 PolarHBondContact OE1-NH2 3.21Å; N1120-R1122 VanDerWaalsContact C-N 3.32Å; N1120-R1122 PolarHBondContact O-N 3.3Å; R1122-Q1125 PolarHBondContact O-N 2.94Å; R1122-L1126 PolarHBondContact O-N 2.77Å; R1122-L1126 VanDerWaalsContact O-N 3.08Å; R1122-V1283 HydrophobicContact CB-CG2 4.23Å |
| 1123 | S | 72.2 | Confident | 75.4 | Confident | 17 Ų | 17 | 63.8 Ų | 63.8 | 12% | 0.119 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.2 | -46.8 | 175 | -177.8 | 0 | 0 | 0 | 0 | 111.9 | L1119 N1120 Q1125 L1126 Q1127 | L1119-S1123 VanDerWaalsContact O-CB 3.29Å; L1119-S1123 WeakPolarHBondContact O-CB 3.25Å; L1119-S1123 PolarHBondContact O-N 3.29Å; N1120-S1123 WeakPolarHBondContact O-CB 3.43Å; N1120-S1123 PolarHBondContact O-N 3.26Å; S1123-Q1125 VanDerWaalsContact C-N 3.34Å; S1123-Q1125 PolarHBondContact O-N 3.5Å; S1123-L1126 PolarHBondContact O-N 2.87Å; S1123-Q1127 PolarHBondContact O-N 2.96Å |
| 1124 | E | 78.8 | Confident | 75.1 | Confident | 121 Ų | 121 | 63.5 Ų | 63.5 | 57% | 0.565 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -62.4 | -39.5 | 177.7 | -74.4 | -169.4 | 178.7 | 0 | 0 | 112.8 | N1120 E1121 Q1127 K1128 | N1120-E1124 PolarHBondContact O-N 3.19Å; E1121-E1124 PolarHBondContact O-N 3.14Å; E1124-Q1127 PolarHBondContact O-N 3.03Å; E1124-K1128 WeakPolarHBondContact O-CG 3.25Å; E1124-K1128 PolarHBondContact O-N 3.23Å; E1124-K1128 VanDerWaalsContact O-N 3.1Å |
| 1125 | Q | 77.6 | Confident | 75 | Confident | 108 Ų | 108 | 64.5 Ų | 64.5 | 51% | 0.505 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -63 | -43.5 | 176.1 | -73.8 | 179.5 | 11 | 0 | 0 | 111.7 | E1121 R1122 S1123 K1128 K1129 L1279 | E1121-Q1125 WeakPolarHBondContact O-CG 3.48Å; E1121-Q1125 PolarHBondContact O-N 3.35Å; E1121-Q1125 VanDerWaalsContact O-N 3.15Å; R1122-Q1125 PolarHBondContact O-N 2.94Å; S1123-Q1125 VanDerWaalsContact C-N 3.34Å; S1123-Q1125 PolarHBondContact O-N 3.5Å; Q1125-K1128 PolarHBondContact O-N 3.17Å; Q1125-K1129 PolarHBondContact O-N 2.9Å; Q1125-K1129 VanDerWaalsContact O-N 3.17Å; Q1125-L1279 HydrophobicContact CB-CD2 4.43Å |
| 1126 | L | 73.1 | Confident | 74.9 | Confident | 1 Ų | 1 | 63.8 Ų | 63.8 | 1% | 0.005 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62.1 | -44.1 | 177.8 | -173.7 | 61.6 | 0 | 0 | 0 | 111.2 | L1069 I1073 R1122 S1123 K1128 K1129 V1130 I1276 L1279 V1283 | L1069-L1126 HydrophobicContact CD1-CD1 4.24Å; L1069-L1126 HydrophobicContact CD1-CD2 3.86Å; L1069-L1126 HydrophobicContact CD1-CG 4.36Å; I1073-L1126 HydrophobicContact CD1-CB 4.43Å; I1073-L1126 HydrophobicContact CD1-CD2 3.6Å; I1073-L1126 HydrophobicContact CD1-CG 3.65Å; I1073-L1126 HydrophobicContact CG1-CD2 3.65Å; I1073-L1126 HydrophobicContact CG1-CG 4.22Å; R1122-L1126 PolarHBondContact O-N 2.77Å; R1122-L1126 VanDerWaalsContact O-N 3.08Å; S1123-L1126 PolarHBondContact O-N 2.87Å; L1126-K1128 PolarHBondContact O-N 3.4Å; L1126-K1129 PolarHBondContact O-N 2.99Å; L1126-V1130 WeakPolarHBondContact O-CG2 3.35Å; L1126-V1130 PolarHBondContact O-N 3.26Å; L1126-I1276 HydrophobicContact CD1-CG2 4.38Å; L1126-L1279 HydrophobicContact CB-CD2 3.88Å; L1126-L1279 HydrophobicContact CD1-CB 4.24Å; L1126-L1279 HydrophobicContact CD1-CD2 3.87Å; L1126-L1279 HydrophobicContact CG-CD2 4.46Å; L1126-V1283 HydrophobicContact CD2-CG2 4.17Å |
| 1127 | Q | 77.6 | Confident | 74.7 | Confident | 56 Ų | 56 | 64 Ų | 64 | 26% | 0.262 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60.3 | -42.3 | 177 | -169.3 | 66 | 9.9 | 0 | 0 | 112.5 | I1073 S1123 E1124 K1129 V1130 N1131 | I1073-Q1127 VanDerWaalsContact CG2-OE1 3.25Å; S1123-Q1127 PolarHBondContact O-N 2.96Å; E1124-Q1127 PolarHBondContact O-N 3.03Å; Q1127-K1129 PolarHBondContact O-N 3.43Å; Q1127-V1130 PolarHBondContact O-N 3.25Å; Q1127-N1131 VanDerWaalsContact O-CG 3.3Å; Q1127-N1131 PolarHBondContact O-N 3.46Å; Q1127-N1131 VanDerWaalsContact O-N 3.13Å; Q1127-N1131 PolarHBondContact O-ND2 3.5Å |
| 1128 | K | 79.1 | Confident | 74.3 | Confident | 144 Ų | 144 | 61.1 Ų | 61.1 | 63% | 0.626 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -62.8 | -41.7 | 177.4 | -74.3 | 174.2 | -174.9 | 168.2 | 0 | 112.1 | E1124 Q1125 L1126 S1132 | E1124-K1128 WeakPolarHBondContact O-CG 3.25Å; E1124-K1128 PolarHBondContact O-N 3.23Å; E1124-K1128 VanDerWaalsContact O-N 3.1Å; Q1125-K1128 PolarHBondContact O-N 3.17Å; L1126-K1128 PolarHBondContact O-N 3.4Å; K1128-S1132 PolarHBondContact O-N 3.07Å |
| 1129 | K | 74.9 | Confident | 74.1 | Confident | 66 Ų | 66 | 61.6 Ų | 61.6 | 29% | 0.287 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -67.1 | -43.6 | 178.5 | -71.4 | -164.2 | 177.6 | -156.9 | 0 | 112.1 | Q1125 L1126 Q1127 N1131 S1132 I1133 E1275 I1276 L1279 | Q1125-K1129 PolarHBondContact O-N 2.9Å; Q1125-K1129 VanDerWaalsContact O-N 3.17Å; L1126-K1129 PolarHBondContact O-N 2.99Å; Q1127-K1129 PolarHBondContact O-N 3.43Å; K1129-N1131 PolarHBondContact O-N 3.06Å; K1129-S1132 WeakPolarHBondContact O-CB 3.05Å; K1129-S1132 PolarHBondContact O-N 3.19Å; K1129-I1133 PolarHBondContact O-N 2.9Å; K1129-E1275 IonicContact NZ-OE2 3.63Å; K1129-E1275 PolarHBondContact NZ-OE2 3.47Å; K1129-I1276 HydrophobicContact CB-CD1 4.43Å; K1129-I1276 HydrophobicContact CB-CG1 4.27Å; K1129-L1279 HydrophobicContact CD-CD1 4.19Å |
| 1130 | V | 75.4 | Confident | 73.6 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -56.3 | -46.6 | 175.8 | 159.9 | 0 | 0 | 0 | 0 | 112.1 | M1066 L1069 I1073 L1126 Q1127 S1132 I1133 T1134 I1276 | M1066-V1130 HydrophobicContact CE-CB 4.38Å; M1066-V1130 HydrophobicContact CE-CG1 3.54Å; M1066-V1130 HydrophobicContact CE-CG2 4.33Å; M1066-V1130 HydrophobicContact SD-CG2 4.44Å; L1069-V1130 HydrophobicContact CD2-CG2 3.41Å; L1069-V1130 VanDerWaalsContact CD2-CG2 3.41Å; L1069-V1130 HydrophobicContact CG-CG2 4.27Å; I1073-V1130 HydrophobicContact CD1-CG2 4.37Å; L1126-V1130 WeakPolarHBondContact O-CG2 3.35Å; L1126-V1130 PolarHBondContact O-N 3.26Å; Q1127-V1130 PolarHBondContact O-N 3.25Å; V1130-S1132 VanDerWaalsContact C-N 3.32Å; V1130-S1132 PolarHBondContact O-N 3.35Å; V1130-I1133 PolarHBondContact O-N 3.18Å; V1130-T1134 PolarHBondContact O-N 3.3Å; V1130-T1134 VanDerWaalsContact O-N 3.15Å; V1130-T1134 PolarHBondContact O-OG1 2.95Å; V1130-I1276 HydrophobicContact CG2-CD1 4.17Å |
| 1131 | N | 77.6 | Confident | 73.2 | Confident | 78 Ų | 78 | 61.9 Ų | 61.9 | 42% | 0.417 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63.7 | -37 | 179 | -70.3 | -17.3 | 0 | 0 | 0 | 112.4 | Q1127 K1129 T1134 Q1135 | Q1127-N1131 VanDerWaalsContact O-CG 3.3Å; Q1127-N1131 PolarHBondContact O-N 3.46Å; Q1127-N1131 VanDerWaalsContact O-N 3.13Å; Q1127-N1131 PolarHBondContact O-ND2 3.5Å; K1129-N1131 PolarHBondContact O-N 3.06Å; N1131-T1134 PolarHBondContact O-N 2.77Å; N1131-Q1135 WeakPolarHBondContact O-CG 3.37Å; N1131-Q1135 PolarHBondContact O-N 2.88Å; N1131-Q1135 VanDerWaalsContact O-N 3.15Å |
| 1132 | S | 73.1 | Confident | 72.8 | Confident | 43 Ų | 43 | 61.6 Ų | 61.6 | 30% | 0.301 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -65.2 | -39.1 | 179.1 | -173.9 | 0 | 0 | 0 | 0 | 113 | K1128 K1129 V1130 L1136 K1272 | K1128-S1132 PolarHBondContact O-N 3.07Å; K1129-S1132 WeakPolarHBondContact O-CB 3.05Å; K1129-S1132 PolarHBondContact O-N 3.19Å; V1130-S1132 VanDerWaalsContact C-N 3.32Å; V1130-S1132 PolarHBondContact O-N 3.35Å; S1132-L1136 PolarHBondContact O-N 2.91Å; S1132-K1272 PolarHBondContact OG-NZ 2Å |
| 1133 | I | 69.7 | Low | 72.4 | Confident | 3 Ų | 3 | 61.7 Ų | 61.7 | 2% | 0.015 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -72.4 | -41.1 | 177.5 | -58 | -173.1 | 0 | 0 | 0 | 111 | Y1062 K1129 V1130 Q1135 L1136 L1137 K1272 I1276 | Y1062-I1133 HydrophobicContact CE2-CG2 3.98Å; Y1062-I1133 WeakPolarHBondContact OH-CG2 3.38Å; K1129-I1133 PolarHBondContact O-N 2.9Å; V1130-I1133 PolarHBondContact O-N 3.18Å; I1133-Q1135 PolarHBondContact O-N 2.94Å; I1133-L1136 WeakPolarHBondContact O-CB 3.36Å; I1133-L1136 PolarHBondContact O-N 3.09Å; I1133-L1137 HydrophobicContact CG2-CD1 4.07Å; I1133-L1137 HydrophobicContact CG2-CG 4.49Å; I1133-L1137 PolarHBondContact O-N 3.22Å; I1133-K1272 HydrophobicContact CD1-CB 3.64Å; I1133-K1272 HydrophobicContact CG1-CB 3.94Å; I1133-K1272 HydrophobicContact CG1-CD 4.09Å; I1133-I1276 HydrophobicContact CD1-CD1 3.31Å; I1133-I1276 HydrophobicContact CD1-CG1 4.06Å; I1133-I1276 HydrophobicContact CG1-CD1 4.2Å |
| 1134 | T | 71.1 | Confident | 72 | Confident | 68 Ų | 68 | 64 Ų | 64 | 42% | 0.417 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -56 | -40.3 | 176.9 | -53.5 | 0 | 0 | 0 | 0 | 111.4 | V1130 N1131 A1138 | V1130-T1134 PolarHBondContact O-N 3.3Å; V1130-T1134 VanDerWaalsContact O-N 3.15Å; V1130-T1134 PolarHBondContact O-OG1 2.95Å; N1131-T1134 PolarHBondContact O-N 2.77Å; T1134-A1138 PolarHBondContact O-N 2.86Å; T1134-A1138 VanDerWaalsContact O-N 3.13Å |
| 1135 | Q | 75.4 | Confident | 71.5 | Confident | 133 Ų | 133 | 61.8 Ų | 61.8 | 62% | 0.621 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -66.7 | -38.9 | 174.5 | -74.9 | 178.2 | -18.3 | 0 | 0 | 113.5 | N1131 I1133 A1138 N1139 | N1131-Q1135 WeakPolarHBondContact O-CG 3.37Å; N1131-Q1135 PolarHBondContact O-N 2.88Å; N1131-Q1135 VanDerWaalsContact O-N 3.15Å; I1133-Q1135 PolarHBondContact O-N 2.94Å; Q1135-A1138 PolarHBondContact O-N 2.9Å; Q1135-N1139 PolarHBondContact O-N 3.24Å; Q1135-N1139 VanDerWaalsContact O-N 3.09Å |
| 1136 | L | 69.1 | Low | 71 | Confident | 29 Ų | 29 | 63 Ų | 63 | 15% | 0.152 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -63.9 | -46 | 176.7 | -75.6 | 169.9 | 0 | 0 | 0 | 111.4 | S1132 I1133 A1138 N1139 S1140 L1268 I1269 K1272 | S1132-L1136 PolarHBondContact O-N 2.91Å; I1133-L1136 WeakPolarHBondContact O-CB 3.36Å; I1133-L1136 PolarHBondContact O-N 3.09Å; L1136-A1138 PolarHBondContact O-N 2.92Å; L1136-N1139 PolarHBondContact O-N 2.68Å; L1136-S1140 PolarHBondContact O-N 3.08Å; L1136-S1140 PolarHBondContact O-OG 3.05Å; L1136-S1140 VanDerWaalsContact O-OG 3.12Å; L1136-L1268 HydrophobicContact CD1-CD2 4.07Å; L1136-L1268 HydrophobicContact CD1-CG 4.42Å; L1136-L1268 HydrophobicContact CD2-CD2 4.32Å; L1136-I1269 HydrophobicContact CB-CG1 4.39Å; L1136-K1272 HydrophobicContact CD1-CD 3.8Å |
| 1137 | L | 69.5 | Low | 70.6 | Confident | 33 Ų | 33 | 63.5 Ų | 63.5 | 17% | 0.173 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -60.6 | -42.8 | 177.2 | -78.5 | 163.7 | 0 | 0 | 0 | 112.4 | L1055 Y1062 I1133 N1139 S1140 T1141 I1269 | L1055-L1137 HydrophobicContact CD2-CD2 4.13Å; Y1062-L1137 HydrophobicContact CD1-CD1 4.08Å; Y1062-L1137 HydrophobicContact CE1-CD1 3.26Å; Y1062-L1137 HydrophobicContact CE2-CD1 4.3Å; Y1062-L1137 VanDerWaalsContact CZ-CD1 3.4Å; Y1062-L1137 WeakPolarHBondContact OH-CD1 3.48Å; I1133-L1137 HydrophobicContact CG2-CD1 4.07Å; I1133-L1137 HydrophobicContact CG2-CG 4.49Å; I1133-L1137 PolarHBondContact O-N 3.22Å; L1137-N1139 VanDerWaalsContact C-N 3.34Å; L1137-N1139 PolarHBondContact O-N 3.22Å; L1137-S1140 PolarHBondContact O-N 2.73Å; L1137-T1141 WeakPolarHBondContact O-CB 3.17Å; L1137-T1141 PolarHBondContact O-N 3.28Å; L1137-T1141 PolarHBondContact O-OG1 3.22Å; L1137-I1269 HydrophobicContact CD2-CD1 3.98Å; L1137-I1269 HydrophobicContact CG-CD1 4.32Å |
| 1138 | A | 70.8 | Confident | 70.1 | Confident | 49 Ų | 49 | 67 Ų | 67 | 41% | 0.405 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.3 | -42.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | T1134 Q1135 L1136 T1141 N1142 | T1134-A1138 PolarHBondContact O-N 2.86Å; T1134-A1138 VanDerWaalsContact O-N 3.13Å; Q1135-A1138 PolarHBondContact O-N 2.9Å; L1136-A1138 PolarHBondContact O-N 2.92Å; A1138-T1141 PolarHBondContact O-N 3.3Å; A1138-N1142 VanDerWaalsContact O-CG 3.26Å; A1138-N1142 PolarHBondContact O-N 2.03Å; A1138-N1142 PolarHBondContact O-ND2 3.35Å |
| 1139 | N | 69.1 | Low | 69.6 | Low | 89 Ų | 89 | 65.8 Ų | 65.8 | 48% | 0.476 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -65.4 | -44.5 | 177.1 | -75.1 | -14.2 | 0 | 0 | 0 | 112.5 | Q1135 L1136 L1137 T1141 N1142 K1143 | Q1135-N1139 PolarHBondContact O-N 3.24Å; Q1135-N1139 VanDerWaalsContact O-N 3.09Å; L1136-N1139 PolarHBondContact O-N 2.68Å; L1137-N1139 VanDerWaalsContact C-N 3.34Å; L1137-N1139 PolarHBondContact O-N 3.22Å; N1139-T1141 VanDerWaalsContact C-N 3.34Å; N1139-T1141 PolarHBondContact O-N 2.83Å; N1139-N1142 PolarHBondContact O-N 3.3Å; N1139-K1143 WeakPolarHBondContact O-CG 3Å; N1139-K1143 PolarHBondContact O-N 3.15Å; N1139-K1143 VanDerWaalsContact O-N 3.14Å |
| 1140 | S | 64.8 | Low | 69.1 | Low | 11 Ų | 11 | 65.7 Ų | 65.7 | 8% | 0.077 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -62.9 | -41.4 | 177.2 | -56.7 | 0 | 0 | 0 | 0 | 111.6 | L1136 L1137 N1142 K1143 L1144 E1265 | L1136-S1140 PolarHBondContact O-N 3.08Å; L1136-S1140 PolarHBondContact O-OG 3.05Å; L1136-S1140 VanDerWaalsContact O-OG 3.12Å; L1137-S1140 PolarHBondContact O-N 2.73Å; S1140-N1142 PolarHBondContact O-N 2.78Å; S1140-K1143 PolarHBondContact O-N 3.39Å; S1140-L1144 PolarHBondContact O-N 3.2Å; S1140-L1144 VanDerWaalsContact O-N 3.1Å; S1140-E1265 WeakPolarHBondContact CA-OE2 3.46Å; S1140-E1265 WeakPolarHBondContact CB-OE2 3.01Å; S1140-E1265 PolarHBondContact OG-OE2 3.42Å |
| 1141 | T | 67.4 | Low | 68.6 | Low | 75 Ų | 75 | 66.3 Ų | 66.3 | 46% | 0.46 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -63.1 | -42.5 | 177.4 | -53.7 | 0 | 0 | 0 | 0 | 111.9 | L1137 A1138 N1139 L1144 T1145 | L1137-T1141 WeakPolarHBondContact O-CB 3.17Å; L1137-T1141 PolarHBondContact O-N 3.28Å; L1137-T1141 PolarHBondContact O-OG1 3.22Å; A1138-T1141 PolarHBondContact O-N 3.3Å; N1139-T1141 VanDerWaalsContact C-N 3.34Å; N1139-T1141 PolarHBondContact O-N 2.83Å; T1141-L1144 PolarHBondContact O-N 3.2Å; T1141-T1145 PolarHBondContact O-N 2.81Å; T1141-T1145 VanDerWaalsContact O-N 3.13Å; T1141-T1145 PolarHBondContact O-OG1 3.42Å |
| 1142 | N | 67.7 | Low | 68.2 | Low | 95 Ų | 95 | 68.5 Ų | 68.5 | 51% | 0.508 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62.6 | -44.7 | 177.1 | -72.7 | -17.6 | 0 | 0 | 0 | 112 | A1138 N1139 S1140 L1144 T1145 E1146 | A1138-N1142 VanDerWaalsContact O-CG 3.26Å; A1138-N1142 PolarHBondContact O-N 2.03Å; A1138-N1142 PolarHBondContact O-ND2 3.35Å; N1139-N1142 PolarHBondContact O-N 3.3Å; S1140-N1142 PolarHBondContact O-N 2.78Å; N1142-L1144 VanDerWaalsContact C-N 3.33Å; N1142-L1144 PolarHBondContact O-N 2.67Å; N1142-T1145 WeakPolarHBondContact O-CB 3.43Å; N1142-T1145 PolarHBondContact O-N 3.47Å; N1142-T1145 VanDerWaalsContact O-N 3.15Å; N1142-E1146 PolarHBondContact O-N 2.7Å |
| 1143 | K | 65.5 | Low | 68 | Low | 77 Ų | 77 | 70.4 Ų | 70.4 | 34% | 0.335 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -61.9 | -38 | 177.3 | -73.2 | 176.7 | 178.9 | 176.6 | 0 | 113.2 | N1139 S1140 T1145 S1147 T1258 E1265 | N1139-K1143 WeakPolarHBondContact O-CG 3Å; N1139-K1143 PolarHBondContact O-N 3.15Å; N1139-K1143 VanDerWaalsContact O-N 3.14Å; S1140-K1143 PolarHBondContact O-N 3.39Å; K1143-T1145 VanDerWaalsContact C-N 3.3Å; K1143-S1147 PolarHBondContact O-N 2.66Å; K1143-S1147 PolarHBondContact O-OG 2.89Å; K1143-T1258 HydrophobicContact CB-CG2 4.26Å; K1143-E1265 IonicContact NZ-OE1 3.46Å; K1143-E1265 PolarHBondContact NZ-OE1 3.3Å |
| 1144 | L | 65.3 | Low | 67.7 | Low | 65 Ų | 65 | 71.2 Ų | 71.2 | 34% | 0.34 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -66 | -37.3 | 176.6 | -151.2 | 82.7 | 0 | 0 | 0 | 111.4 | I1051 S1140 T1141 N1142 S1147 K1148 | I1051-L1144 HydrophobicContact CG1-CD2 4.16Å; S1140-L1144 PolarHBondContact O-N 3.2Å; S1140-L1144 VanDerWaalsContact O-N 3.1Å; T1141-L1144 PolarHBondContact O-N 3.2Å; N1142-L1144 VanDerWaalsContact C-N 3.33Å; N1142-L1144 PolarHBondContact O-N 2.67Å; L1144-S1147 PolarHBondContact O-N 3.38Å; L1144-K1148 PolarHBondContact O-N 3.46Å |
| 1145 | T | 68.5 | Low | 67.5 | Low | 75 Ų | 75 | 70.8 Ų | 70.8 | 46% | 0.46 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -68.2 | -44.7 | 178.3 | -48 | 0 | 0 | 0 | 0 | 111.1 | T1141 N1142 K1143 S1147 K1148 E1149 | T1141-T1145 PolarHBondContact O-N 2.81Å; T1141-T1145 VanDerWaalsContact O-N 3.13Å; T1141-T1145 PolarHBondContact O-OG1 3.42Å; N1142-T1145 WeakPolarHBondContact O-CB 3.43Å; N1142-T1145 PolarHBondContact O-N 3.47Å; N1142-T1145 VanDerWaalsContact O-N 3.15Å; K1143-T1145 VanDerWaalsContact C-N 3.3Å; T1145-S1147 PolarHBondContact O-N 2.86Å; T1145-K1148 WeakPolarHBondContact O-CB 3.46Å; T1145-K1148 PolarHBondContact O-N 3.4Å; T1145-E1149 PolarHBondContact O-N 3.21Å |
| 1146 | E | 66.5 | Low | 67.1 | Low | 134 Ų | 134 | 68.8 Ų | 68.8 | 63% | 0.626 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -59.5 | -43.6 | 174.3 | -72.8 | 176.8 | 178.5 | 0 | 0 | 112.3 | N1142 K1148 E1149 L1150 | N1142-E1146 PolarHBondContact O-N 2.7Å; E1146-K1148 VanDerWaalsContact C-N 3.29Å; E1146-K1148 PolarHBondContact O-N 3.28Å; E1146-E1149 PolarHBondContact O-N 3.18Å; E1146-L1150 PolarHBondContact O-N 2.7Å; E1146-L1150 VanDerWaalsContact O-N 3.15Å |
| 1147 | S | 65.3 | Low | 66.8 | Low | 10 Ų | 10 | 70.1 Ų | 70.1 | 7% | 0.07 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -60.5 | -38.3 | 177.9 | -61.1 | 0 | 0 | 0 | 0 | 112.3 | K1143 L1144 T1145 L1150 I1151 T1258 | K1143-S1147 PolarHBondContact O-N 2.66Å; K1143-S1147 PolarHBondContact O-OG 2.89Å; L1144-S1147 PolarHBondContact O-N 3.38Å; T1145-S1147 PolarHBondContact O-N 2.86Å; S1147-L1150 PolarHBondContact O-N 3.41Å; S1147-I1151 PolarHBondContact O-N 2.93Å; S1147-T1258 WeakPolarHBondContact OG-CG2 3.45Å |
| 1148 | K | 66.9 | Low | 66.6 | Low | 131 Ų | 131 | 69 Ų | 69 | 57% | 0.57 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -68 | -39.5 | 178.3 | -171.8 | 178.3 | 179.1 | 179.4 | 0 | 112.4 | L1144 T1145 E1146 L1150 K1152 | L1144-K1148 PolarHBondContact O-N 3.46Å; T1145-K1148 WeakPolarHBondContact O-CB 3.46Å; T1145-K1148 PolarHBondContact O-N 3.4Å; E1146-K1148 VanDerWaalsContact C-N 3.29Å; E1146-K1148 PolarHBondContact O-N 3.28Å; K1148-L1150 VanDerWaalsContact C-N 3.34Å; K1148-K1152 PolarHBondContact O-N 2.88Å |
| 1149 | E | 69 | Low | 66.4 | Low | 117 Ų | 117 | 71.7 Ų | 71.7 | 55% | 0.547 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -64.3 | -39.2 | 177.2 | -152.8 | 86.5 | -150.8 | 0 | 0 | 111.4 | T1145 E1146 K1152 T1153 | T1145-E1149 PolarHBondContact O-N 3.21Å; E1146-E1149 PolarHBondContact O-N 3.18Å; E1149-K1152 PolarHBondContact O-N 3.5Å; E1149-T1153 PolarHBondContact O-N 2.86Å; E1149-T1153 VanDerWaalsContact O-N 3.13Å; E1149-T1153 PolarHBondContact O-OG1 2.76Å |
| 1150 | L | 64.1 | Low | 66.2 | Low | 65 Ų | 65 | 75 Ų | 75 | 34% | 0.34 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -64.2 | -49.7 | -179.7 | -137.5 | 74.6 | 0 | 0 | 0 | 111.8 | E1146 S1147 K1148 K1152 T1153 S1154 V1251 | E1146-L1150 PolarHBondContact O-N 2.7Å; E1146-L1150 VanDerWaalsContact O-N 3.15Å; S1147-L1150 PolarHBondContact O-N 3.41Å; K1148-L1150 VanDerWaalsContact C-N 3.34Å; L1150-K1152 VanDerWaalsContact C-N 3.34Å; L1150-K1152 PolarHBondContact O-N 2.87Å; L1150-T1153 PolarHBondContact O-N 3.48Å; L1150-S1154 PolarHBondContact O-N 2.77Å; L1150-S1154 PolarHBondContact O-OG 3.48Å; L1150-V1251 HydrophobicContact CD2-CB 4.37Å; L1150-V1251 HydrophobicContact CD2-CG1 3.85Å; L1150-V1251 HydrophobicContact CD2-CG2 4.16Å; L1150-V1251 HydrophobicContact CG-CG1 4.16Å; L1150-V1251 HydrophobicContact CG-CG2 4.3Å |
| 1151 | I | 63.5 | Low | 66.1 | Low | 13 Ų | 13 | 75.2 Ų | 75.2 | 7% | 0.067 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -62.3 | -42 | 179.1 | -66.1 | 179.2 | 0 | 0 | 0 | 111.3 | I1043 L1047 S1147 T1153 S1154 K1155 L1255 | I1043-I1151 HydrophobicContact CG2-CD1 4.04Å; L1047-I1151 HydrophobicContact CB-CD1 4.26Å; L1047-I1151 HydrophobicContact CD2-CD1 3.53Å; L1047-I1151 HydrophobicContact CG-CD1 4.32Å; S1147-I1151 PolarHBondContact O-N 2.93Å; I1151-T1153 VanDerWaalsContact C-N 3.35Å; I1151-T1153 PolarHBondContact O-N 3.49Å; I1151-S1154 PolarHBondContact O-N 3.25Å; I1151-K1155 WeakPolarHBondContact O-CB 3.46Å; I1151-K1155 PolarHBondContact O-N 2.92Å; I1151-L1255 HydrophobicContact CD1-CD1 4.26Å; I1151-L1255 HydrophobicContact CD1-CD2 3.79Å; I1151-L1255 HydrophobicContact CG1-CD2 4.22Å |
| 1152 | K | 70.9 | Confident | 66 | Low | 124 Ų | 124 | 73.8 Ų | 73.8 | 54% | 0.539 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -57.7 | -48.7 | 177.5 | -177.3 | -175.8 | 173.9 | -170.1 | 0 | 111.2 | K1148 E1149 L1150 S1154 K1155 D1156 | K1148-K1152 PolarHBondContact O-N 2.88Å; E1149-K1152 PolarHBondContact O-N 3.5Å; L1150-K1152 VanDerWaalsContact C-N 3.34Å; L1150-K1152 PolarHBondContact O-N 2.87Å; K1152-S1154 VanDerWaalsContact C-N 3.33Å; K1152-S1154 PolarHBondContact O-N 3.37Å; K1152-K1155 PolarHBondContact O-N 3.3Å; K1152-D1156 PolarHBondContact O-N 3.44Å |
| 1153 | T | 66.9 | Low | 66 | Low | 83 Ų | 83 | 76.3 Ų | 76.3 | 51% | 0.509 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -61.9 | -40.6 | 179.3 | -54.1 | 0 | 0 | 0 | 0 | 112.1 | E1149 L1150 I1151 T1157 | E1149-T1153 PolarHBondContact O-N 2.86Å; E1149-T1153 VanDerWaalsContact O-N 3.13Å; E1149-T1153 PolarHBondContact O-OG1 2.76Å; L1150-T1153 PolarHBondContact O-N 3.48Å; I1151-T1153 VanDerWaalsContact C-N 3.35Å; I1151-T1153 PolarHBondContact O-N 3.49Å; T1153-T1157 PolarHBondContact O-N 2.92Å; T1153-T1157 VanDerWaalsContact O-N 3.16Å; T1153-T1157 PolarHBondContact O-OG1 3.16Å |
| 1154 | S | 64.1 | Low | 66 | Low | 20 Ų | 20 | 76.3 Ų | 76.3 | 14% | 0.14 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -64.3 | -41.5 | 174.9 | -69 | 0 | 0 | 0 | 0 | 112.8 | L1150 I1151 K1152 T1157 L1158 | L1150-S1154 PolarHBondContact O-N 2.77Å; L1150-S1154 PolarHBondContact O-OG 3.48Å; I1151-S1154 PolarHBondContact O-N 3.25Å; K1152-S1154 VanDerWaalsContact C-N 3.33Å; K1152-S1154 PolarHBondContact O-N 3.37Å; S1154-T1157 PolarHBondContact O-N 3.01Å; S1154-L1158 PolarHBondContact O-N 3.04Å |
| 1155 | K | 67.9 | Low | 65.8 | Low | 58 Ų | 58 | 73.7 Ų | 73.7 | 25% | 0.252 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -65.2 | -45.6 | 178.6 | -172.3 | 165.4 | -179.8 | 144.7 | 0 | 112.2 | I1040 D1041 D1044 I1151 K1152 T1157 L1158 Q1159 | I1040-K1155 HydrophobicContact CG2-CB 4.41Å; D1041-K1155 IonicContact OD1-NZ 3.45Å; D1041-K1155 PolarHBondContact OD1-NZ 3.07Å; D1044-K1155 IonicContact OD2-NZ 2.72Å; D1044-K1155 PolarHBondContact OD2-NZ 3.15Å; I1151-K1155 WeakPolarHBondContact O-CB 3.46Å; I1151-K1155 PolarHBondContact O-N 2.92Å; K1152-K1155 PolarHBondContact O-N 3.3Å; K1155-T1157 VanDerWaalsContact C-N 3.29Å; K1155-T1157 PolarHBondContact O-N 2.89Å; K1155-L1158 PolarHBondContact O-N 2.9Å; K1155-Q1159 PolarHBondContact O-N 3.44Å |
| 1156 | D | 67 | Low | 65.7 | Low | 91 Ų | 91 | 73.2 Ų | 73.2 | 49% | 0.487 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -61 | -40.4 | 177.6 | -70.2 | -17.6 | 0 | 0 | 0 | 111.5 | K1152 K1160 | K1152-D1156 PolarHBondContact O-N 3.44Å; D1156-K1160 PolarHBondContact O-N 3.06Å |
| 1157 | T | 62.9 | Low | 65.5 | Low | 58 Ų | 58 | 72.8 Ų | 72.8 | 36% | 0.356 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -64.4 | -47.6 | 176 | -57.2 | 0 | 0 | 0 | 0 | 110.9 | T1153 S1154 K1155 Q1159 K1160 N1161 Q1244 | T1153-T1157 PolarHBondContact O-N 2.92Å; T1153-T1157 VanDerWaalsContact O-N 3.16Å; T1153-T1157 PolarHBondContact O-OG1 3.16Å; S1154-T1157 PolarHBondContact O-N 3.01Å; K1155-T1157 VanDerWaalsContact C-N 3.29Å; K1155-T1157 PolarHBondContact O-N 2.89Å; T1157-Q1159 PolarHBondContact O-N 2.94Å; T1157-K1160 WeakPolarHBondContact O-CB 3.34Å; T1157-K1160 PolarHBondContact O-N 3.3Å; T1157-K1160 VanDerWaalsContact O-N 3.13Å; T1157-N1161 PolarHBondContact O-N 3.13Å; T1157-N1161 PolarHBondContact O-ND2 3.39Å; T1157-Q1244 HydrophobicContact CG2-CG 4.39Å |
| 1158 | L | 63.8 | Low | 65.3 | Low | 10 Ų | 10 | 73.1 Ų | 73.1 | 5% | 0.052 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -60.3 | -44.3 | -179.4 | -156 | 91.9 | 0 | 0 | 0 | 111.9 | I1036 A1037 I1040 S1154 K1155 K1160 N1161 I1162 L1248 | I1036-L1158 HydrophobicContact CB-CD1 4.47Å; I1036-L1158 HydrophobicContact CG2-CD1 3.52Å; I1036-L1158 HydrophobicContact CG2-CD2 4.2Å; A1037-L1158 VanDerWaalsContact CA-CD2 3.49Å; A1037-L1158 HydrophobicContact CB-CD2 3.74Å; I1040-L1158 HydrophobicContact CD1-CB 4.2Å; I1040-L1158 HydrophobicContact CD1-CD1 4.04Å; I1040-L1158 HydrophobicContact CD1-CD2 3.96Å; I1040-L1158 HydrophobicContact CD1-CG 4.27Å; S1154-L1158 PolarHBondContact O-N 3.04Å; K1155-L1158 PolarHBondContact O-N 2.9Å; L1158-K1160 VanDerWaalsContact C-N 3.26Å; L1158-K1160 PolarHBondContact O-N 2.87Å; L1158-N1161 PolarHBondContact O-N 3.32Å; L1158-N1161 VanDerWaalsContact O-N 3.08Å; L1158-I1162 HydrophobicContact CD2-CD1 4.01Å; L1158-I1162 HydrophobicContact CG-CD1 4.4Å; L1158-I1162 WeakPolarHBondContact O-CG1 3.22Å; L1158-I1162 PolarHBondContact O-N 2.79Å; L1158-L1248 HydrophobicContact CD1-CD1 3.74Å |
| 1159 | Q | 66.8 | Low | 65.2 | Low | 105 Ų | 105 | 69.1 Ų | 69.1 | 49% | 0.491 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -58.9 | -36.3 | 176.6 | -81.6 | -171.8 | -20.3 | 0 | 0 | 112.8 | K1155 T1157 N1161 I1162 K1163 | K1155-Q1159 PolarHBondContact O-N 3.44Å; T1157-Q1159 PolarHBondContact O-N 2.94Å; Q1159-N1161 VanDerWaalsContact C-N 3.32Å; Q1159-N1161 PolarHBondContact O-N 3.23Å; Q1159-I1162 PolarHBondContact O-N 2.96Å; Q1159-K1163 WeakPolarHBondContact O-CG 3.28Å; Q1159-K1163 PolarHBondContact O-N 2.79Å; Q1159-K1163 VanDerWaalsContact O-N 3.15Å |
| 1160 | K | 66.5 | Low | 65 | Low | 157 Ų | 157 | 70.3 Ų | 70.3 | 68% | 0.683 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -63.5 | -38.1 | 175.9 | -170.1 | 180 | 177.9 | -176.8 | 0 | 111.9 | D1156 T1157 L1158 K1164 | D1156-K1160 PolarHBondContact O-N 3.06Å; T1157-K1160 WeakPolarHBondContact O-CB 3.34Å; T1157-K1160 PolarHBondContact O-N 3.3Å; T1157-K1160 VanDerWaalsContact O-N 3.13Å; L1158-K1160 VanDerWaalsContact C-N 3.26Å; L1158-K1160 PolarHBondContact O-N 2.87Å; K1160-K1164 PolarHBondContact O-N 3.15Å |
| 1161 | N | 62.6 | Low | 65 | Low | 17 Ų | 17 | 70.2 Ų | 70.2 | 9% | 0.091 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -75.5 | -36 | 178.4 | -54.8 | -54.6 | 0 | 0 | 0 | 113 | T1157 L1158 Q1159 K1163 K1164 S1165 L1241 Q1244 | T1157-N1161 PolarHBondContact O-N 3.13Å; T1157-N1161 PolarHBondContact O-ND2 3.39Å; L1158-N1161 PolarHBondContact O-N 3.32Å; L1158-N1161 VanDerWaalsContact O-N 3.08Å; Q1159-N1161 VanDerWaalsContact C-N 3.32Å; Q1159-N1161 PolarHBondContact O-N 3.23Å; N1161-K1163 VanDerWaalsContact C-N 3.32Å; N1161-K1163 PolarHBondContact O-N 2.9Å; N1161-K1164 CarbonylContact O-C 3.22Å; N1161-K1164 PolarHBondContact O-N 2.86Å; N1161-S1165 PolarHBondContact O-N 3.15Å; N1161-L1241 HydrophobicContact CB-CD1 4.44Å; N1161-Q1244 PolarHBondContact ND2-NE2 3.3Å; N1161-Q1244 VanDerWaalsContact ND2-NE2 3.13Å; N1161-Q1244 PolarHBondContact ND2-OE1 3.42Å; N1161-Q1244 PolarHBondContact OD1-NE2 3.5Å; N1161-Q1244 PolarHBondContact OD1-OE1 3.44Å |
| 1162 | I | 65.1 | Low | 64.9 | Low | 45 Ų | 45 | 70.5 Ų | 70.5 | 23% | 0.231 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -58.3 | -48 | 173.7 | -68 | 168.6 | 0 | 0 | 0 | 109.5 | A1037 L1158 Q1159 K1164 S1165 D1166 | A1037-I1162 HydrophobicContact CB-CD1 4.15Å; L1158-I1162 HydrophobicContact CD2-CD1 4.01Å; L1158-I1162 HydrophobicContact CG-CD1 4.4Å; L1158-I1162 WeakPolarHBondContact O-CG1 3.22Å; L1158-I1162 PolarHBondContact O-N 2.79Å; Q1159-I1162 PolarHBondContact O-N 2.96Å; I1162-K1164 VanDerWaalsContact C-N 3.32Å; I1162-K1164 PolarHBondContact O-N 3.45Å; I1162-S1165 WeakPolarHBondContact O-CA 3.5Å; I1162-S1165 VanDerWaalsContact O-CB 3.28Å; I1162-S1165 WeakPolarHBondContact O-CB 3.43Å; I1162-S1165 PolarHBondContact O-N 3.18Å; I1162-D1166 PolarHBondContact O-N 3.25Å |
| 1163 | K | 67.4 | Low | 64.4 | Low | 148 Ų | 148 | 68.9 Ų | 68.9 | 64% | 0.643 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -58.7 | -41.5 | 175 | -70.3 | -178.1 | -178.2 | -179.3 | 0 | 112.9 | Q1159 N1161 S1165 D1166 E1167 | Q1159-K1163 WeakPolarHBondContact O-CG 3.28Å; Q1159-K1163 PolarHBondContact O-N 2.79Å; Q1159-K1163 VanDerWaalsContact O-N 3.15Å; N1161-K1163 VanDerWaalsContact C-N 3.32Å; N1161-K1163 PolarHBondContact O-N 2.9Å; K1163-S1165 VanDerWaalsContact C-N 3.3Å; K1163-S1165 PolarHBondContact O-N 2.99Å; K1163-D1166 PolarHBondContact O-N 3.3Å; K1163-E1167 PolarHBondContact O-N 3.49Å |
| 1164 | K | 65.8 | Low | 64.1 | Low | 76 Ų | 76 | 69.7 Ų | 69.7 | 33% | 0.33 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -65 | -35 | 176.9 | -155.8 | 171.8 | -179.9 | -175.3 | 0 | 111.2 | K1160 N1161 I1162 I1168 I1237 E1240 | K1160-K1164 PolarHBondContact O-N 3.15Å; N1161-K1164 CarbonylContact O-C 3.22Å; N1161-K1164 PolarHBondContact O-N 2.86Å; I1162-K1164 VanDerWaalsContact C-N 3.32Å; I1162-K1164 PolarHBondContact O-N 3.45Å; K1164-I1168 WeakPolarHBondContact O-CD1 3.37Å; K1164-I1168 VanDerWaalsContact O-CG1 3.28Å; K1164-I1168 WeakPolarHBondContact O-CG1 3.49Å; K1164-I1168 PolarHBondContact O-N 2.84Å; K1164-I1237 HydrophobicContact CG-CD1 4.35Å; K1164-E1240 IonicContact NZ-OE2 3.03Å; K1164-E1240 PolarHBondContact NZ-OE2 2.75Å |
| 1165 | S | 60.7 | Low | 63.9 | Low | 10 Ų | 10 | 69.3 Ų | 69.3 | 7% | 0.07 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -64.7 | -41.8 | 174.2 | -177.3 | 0 | 0 | 0 | 0 | 112.3 | L1033 N1161 I1162 K1163 E1167 I1168 E1169 | L1033-S1165 VanDerWaalsContact CD1-CB 3.5Å; N1161-S1165 PolarHBondContact O-N 3.15Å; I1162-S1165 WeakPolarHBondContact O-CA 3.5Å; I1162-S1165 VanDerWaalsContact O-CB 3.28Å; I1162-S1165 WeakPolarHBondContact O-CB 3.43Å; I1162-S1165 PolarHBondContact O-N 3.18Å; K1163-S1165 VanDerWaalsContact C-N 3.3Å; K1163-S1165 PolarHBondContact O-N 2.99Å; S1165-E1167 PolarHBondContact O-N 2.99Å; S1165-I1168 WeakPolarHBondContact O-CB 3.41Å; S1165-I1168 PolarHBondContact O-N 3.33Å; S1165-E1169 PolarHBondContact O-N 3.03Å |
| 1166 | D | 65.2 | Low | 63.3 | Low | 66 Ų | 66 | 69.8 Ų | 69.8 | 35% | 0.353 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -64.2 | -37.9 | 178.5 | -67.3 | -32.4 | 0 | 0 | 0 | 112.2 | K1030 I1162 K1163 I1168 E1169 Q1170 | K1030-D1166 IonicContact NZ-OD1 2.68Å; I1162-D1166 PolarHBondContact O-N 3.25Å; K1163-D1166 PolarHBondContact O-N 3.3Å; D1166-I1168 VanDerWaalsContact C-N 3.29Å; D1166-I1168 PolarHBondContact O-N 2.98Å; D1166-E1169 WeakPolarHBondContact O-CB 3.25Å; D1166-E1169 PolarHBondContact O-N 3.46Å; D1166-Q1170 PolarHBondContact O-N 2.97Å; D1166-Q1170 VanDerWaalsContact O-N 3.08Å |
| 1167 | E | 64.2 | Low | 63 | Low | 125 Ų | 125 | 68.4 Ų | 68.4 | 58% | 0.584 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -62.2 | -36.4 | 173.6 | -73.7 | -178.1 | 178.1 | 0 | 0 | 112.4 | K1163 S1165 N1171 | K1163-E1167 PolarHBondContact O-N 3.49Å; S1165-E1167 PolarHBondContact O-N 2.99Å; E1167-N1171 PolarHBondContact O-N 3.27Å; E1167-N1171 PolarHBondContact O-ND2 2.95Å |
| 1168 | I | 61.2 | Low | 63.1 | Low | 16 Ų | 16 | 70.4 Ų | 70.4 | 8% | 0.082 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -70.2 | -41.5 | 177.1 | -59.6 | 160.2 | 0 | 0 | 0 | 110.6 | K1164 S1165 D1166 Q1170 N1171 G1172 F1234 I1237 | K1164-I1168 WeakPolarHBondContact O-CD1 3.37Å; K1164-I1168 VanDerWaalsContact O-CG1 3.28Å; K1164-I1168 WeakPolarHBondContact O-CG1 3.49Å; K1164-I1168 PolarHBondContact O-N 2.84Å; S1165-I1168 WeakPolarHBondContact O-CB 3.41Å; S1165-I1168 PolarHBondContact O-N 3.33Å; D1166-I1168 VanDerWaalsContact C-N 3.29Å; D1166-I1168 PolarHBondContact O-N 2.98Å; I1168-Q1170 VanDerWaalsContact C-N 3.3Å; I1168-Q1170 PolarHBondContact O-N 2.92Å; I1168-N1171 PolarHBondContact O-N 2.7Å; I1168-N1171 VanDerWaalsContact O-N 3.16Å; I1168-G1172 PolarHBondContact O-N 3.19Å; I1168-F1234 HydrophobicContact CB-CE1 4.48Å; I1168-F1234 HydrophobicContact CG2-CD1 3.99Å; I1168-F1234 HydrophobicContact CG2-CE1 3.2Å; I1168-F1234 HydrophobicContact CG2-CE2 3.8Å; I1168-F1234 HydrophobicContact CG2-CZ 3.08Å; I1168-I1237 HydrophobicContact CD1-CB 4.47Å; I1168-I1237 HydrophobicContact CD1-CD1 3.27Å; I1168-I1237 HydrophobicContact CD1-CG1 4.39Å; I1168-I1237 HydrophobicContact CD1-CG2 4.04Å; I1168-I1237 HydrophobicContact CG1-CD1 3.86Å |
| 1169 | E | 62.9 | Low | 62.9 | Low | 47 Ų | 47 | 72.4 Ų | 72.4 | 22% | 0.22 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -56.1 | -46.6 | 175.4 | 178.9 | 173.9 | -178.6 | 0 | 0 | 110.5 | Y1026 K1030 S1165 D1166 N1171 G1172 I1173 | Y1026-E1169 HydrophobicContact CD2-CG 4.3Å; Y1026-E1169 HydrophobicContact CE2-CG 3.86Å; K1030-E1169 IonicContact NZ-OE1 3.22Å; K1030-E1169 IonicContact NZ-OE2 3.91Å; K1030-E1169 PolarHBondContact NZ-OE2 2.69Å; S1165-E1169 PolarHBondContact O-N 3.03Å; D1166-E1169 WeakPolarHBondContact O-CB 3.25Å; D1166-E1169 PolarHBondContact O-N 3.46Å; E1169-N1171 VanDerWaalsContact C-N 3.35Å; E1169-N1171 PolarHBondContact O-N 3.45Å; E1169-G1172 PolarHBondContact O-N 2.85Å; E1169-I1173 HydrophobicContact CG-CD1 3.8Å; E1169-I1173 HydrophobicContact CG-CG1 4.45Å; E1169-I1173 VanDerWaalsContact O-CG1 3.29Å; E1169-I1173 WeakPolarHBondContact O-CG1 3.4Å; E1169-I1173 PolarHBondContact O-N 3.07Å |
| 1170 | Q | 65.4 | Low | 62.5 | Low | 143 Ų | 143 | 72 Ų | 72 | 67% | 0.668 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -60.4 | -42.1 | 176.3 | -71.3 | -171.1 | -2.8 | 0 | 0 | 112.7 | D1166 I1168 L1174 | D1166-Q1170 PolarHBondContact O-N 2.97Å; D1166-Q1170 VanDerWaalsContact O-N 3.08Å; I1168-Q1170 VanDerWaalsContact C-N 3.3Å; I1168-Q1170 PolarHBondContact O-N 2.92Å; Q1170-L1174 WeakPolarHBondContact O-CB 3.49Å; Q1170-L1174 PolarHBondContact O-N 3.25Å |
| 1171 | N | 64 | Low | 62.2 | Low | 62 Ų | 62 | 67.4 Ų | 67.4 | 33% | 0.332 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -68 | -36.5 | 176.9 | -72.7 | -52.8 | 0 | 0 | 0 | 112.6 | E1167 I1168 E1169 L1175 L1230 | E1167-N1171 PolarHBondContact O-N 3.27Å; E1167-N1171 PolarHBondContact O-ND2 2.95Å; I1168-N1171 PolarHBondContact O-N 2.7Å; I1168-N1171 VanDerWaalsContact O-N 3.16Å; E1169-N1171 VanDerWaalsContact C-N 3.35Å; E1169-N1171 PolarHBondContact O-N 3.45Å; N1171-L1175 WeakPolarHBondContact O-CB 3.42Å; N1171-L1175 PolarHBondContact O-N 2.83Å; N1171-L1230 HydrophobicContact CB-CD1 3.65Å |
| 1172 | G | 61.4 | Low | 62.1 | Low | 20 Ų | 20 | 67.8 Ų | 67.8 | 21% | 0.206 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -67.9 | -43.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | I1168 E1169 L1174 L1175 S1176 | I1168-G1172 PolarHBondContact O-N 3.19Å; E1169-G1172 PolarHBondContact O-N 2.85Å; G1172-L1174 VanDerWaalsContact C-N 3.35Å; G1172-L1175 PolarHBondContact O-N 2.78Å; G1172-S1176 WeakPolarHBondContact O-CB 3.38Å; G1172-S1176 PolarHBondContact O-N 2.74Å |
| 1173 | I | 60.3 | Low | 61.7 | Low | 89 Ų | 89 | 70.9 Ų | 70.9 | 46% | 0.456 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -61.4 | -44.9 | 174 | -67.3 | 166.8 | 0 | 0 | 0 | 110.2 | E1169 L1175 S1176 S1177 | E1169-I1173 HydrophobicContact CG-CD1 3.8Å; E1169-I1173 HydrophobicContact CG-CG1 4.45Å; E1169-I1173 VanDerWaalsContact O-CG1 3.29Å; E1169-I1173 WeakPolarHBondContact O-CG1 3.4Å; E1169-I1173 PolarHBondContact O-N 3.07Å; I1173-L1175 PolarHBondContact O-N 3.13Å; I1173-S1176 PolarHBondContact O-N 3.29Å; I1173-S1177 PolarHBondContact O-N 3.49Å |
| 1174 | L | 61.1 | Low | 61.5 | Low | 101 Ų | 101 | 67.6 Ų | 67.6 | 53% | 0.529 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -58.4 | -46.4 | 175.8 | -179.3 | 66.7 | 0 | 0 | 0 | 111.4 | Q1170 G1172 S1177 R1178 | Q1170-L1174 WeakPolarHBondContact O-CB 3.49Å; Q1170-L1174 PolarHBondContact O-N 3.25Å; G1172-L1174 VanDerWaalsContact C-N 3.35Å; L1174-S1177 PolarHBondContact O-N 3.43Å; L1174-S1177 PolarHBondContact O-OG 3.46Å; L1174-R1178 PolarHBondContact O-N 3.34Å; L1174-R1178 VanDerWaalsContact O-N 3.07Å |
| 1175 | L | 59 | Low | 61.3 | Low | 11 Ų | 11 | 67.8 Ų | 67.8 | 6% | 0.058 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -63.3 | -44.8 | 178.1 | -170.5 | 73.4 | 0 | 0 | 0 | 111.9 | N1171 G1172 I1173 S1177 R1178 I1179 T1226 L1230 | N1171-L1175 WeakPolarHBondContact O-CB 3.42Å; N1171-L1175 PolarHBondContact O-N 2.83Å; G1172-L1175 PolarHBondContact O-N 2.78Å; I1173-L1175 PolarHBondContact O-N 3.13Å; L1175-S1177 VanDerWaalsContact C-N 3.29Å; L1175-S1177 PolarHBondContact O-N 3.37Å; L1175-R1178 PolarHBondContact O-N 3.35Å; L1175-R1178 VanDerWaalsContact O-N 3.11Å; L1175-I1179 HydrophobicContact CG-CD1 4.24Å; L1175-I1179 WeakPolarHBondContact O-CG1 3.17Å; L1175-I1179 PolarHBondContact O-N 3.39Å; L1175-T1226 HydrophobicContact CD1-CG2 3.78Å; L1175-L1230 HydrophobicContact CD2-CD2 4.01Å |
| 1176 | S | 57 | Low | 61.2 | Low | 68 Ų | 68 | 71.9 Ų | 71.9 | 48% | 0.476 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -60.2 | -40.2 | 177.1 | -169.2 | 0 | 0 | 0 | 0 | 111.5 | G1172 I1173 R1178 I1179 E1180 | G1172-S1176 WeakPolarHBondContact O-CB 3.38Å; G1172-S1176 PolarHBondContact O-N 2.74Å; I1173-S1176 PolarHBondContact O-N 3.29Å; S1176-R1178 PolarHBondContact O-N 2.93Å; S1176-I1179 PolarHBondContact O-N 3.05Å; S1176-E1180 PolarHBondContact O-N 3.21Å |
| 1177 | S | 60.4 | Low | 61 | Low | 63 Ų | 63 | 72.4 Ų | 72.4 | 44% | 0.441 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -63.5 | -37.4 | 174 | 78.5 | 0 | 0 | 0 | 0 | 112.9 | I1173 L1174 L1175 A1181 | I1173-S1177 PolarHBondContact O-N 3.49Å; L1174-S1177 PolarHBondContact O-N 3.43Å; L1174-S1177 PolarHBondContact O-OG 3.46Å; L1175-S1177 VanDerWaalsContact C-N 3.29Å; L1175-S1177 PolarHBondContact O-N 3.37Å; S1177-A1181 WeakPolarHBondContact O-CB 3.31Å; S1177-A1181 PolarHBondContact O-N 2.78Å |
| 1178 | R | 64.1 | Low | 60.9 | Low | 99 Ų | 99 | 71.9 Ų | 71.9 | 37% | 0.374 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -67.6 | -40.4 | 173.9 | -67.9 | -176.5 | 88.1 | -179.1 | 1.5 | 111.3 | L1174 L1175 S1176 A1181 L1182 E1222 | L1174-R1178 PolarHBondContact O-N 3.34Å; L1174-R1178 VanDerWaalsContact O-N 3.07Å; L1175-R1178 PolarHBondContact O-N 3.35Å; L1175-R1178 VanDerWaalsContact O-N 3.11Å; S1176-R1178 PolarHBondContact O-N 2.93Å; R1178-A1181 PolarHBondContact O-N 3.19Å; R1178-L1182 WeakPolarHBondContact O-CB 3.37Å; R1178-L1182 PolarHBondContact O-N 2.66Å; R1178-E1222 IonicContact NH2-OE2 3.49Å; R1178-E1222 PolarHBondContact NH2-OE2 2.79Å |
| 1179 | I | 59.1 | Low | 60.8 | Low | 53 Ų | 53 | 72 Ų | 72 | 27% | 0.272 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63.8 | -44.7 | 176.7 | -68.7 | 168.4 | 0 | 0 | 0 | 110.7 | L1175 S1176 L1182 K1183 | L1175-I1179 HydrophobicContact CG-CD1 4.24Å; L1175-I1179 WeakPolarHBondContact O-CG1 3.17Å; L1175-I1179 PolarHBondContact O-N 3.39Å; S1176-I1179 PolarHBondContact O-N 3.05Å; I1179-L1182 CarbonylContact O-C 3.56Å; I1179-L1182 WeakPolarHBondContact O-CB 3.22Å; I1179-L1182 PolarHBondContact O-N 2.86Å; I1179-L1182 VanDerWaalsContact O-N 3.17Å; I1179-K1183 HydrophobicContact CG2-CD 4.45Å; I1179-K1183 PolarHBondContact O-N 3.28Å |
| 1180 | E | 58.4 | Low | 60.4 | Low | 96 Ų | 96 | 77.2 Ų | 77.2 | 45% | 0.449 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -68.6 | -39.3 | 177.8 | -82.4 | -52.6 | 154.2 | 0 | 0 | 112.9 | S1176 L1182 K1183 D1184 | S1176-E1180 PolarHBondContact O-N 3.21Å; E1180-L1182 PolarHBondContact O-N 2.77Å; E1180-K1183 PolarHBondContact O-N 3.21Å; E1180-K1183 VanDerWaalsContact OE1-CD 3.29Å; E1180-K1183 WeakPolarHBondContact OE1-CD 3.48Å; E1180-K1183 IonicContact OE1-NZ 3.03Å; E1180-K1183 PolarHBondContact OE1-NZ 3.29Å; E1180-K1183 VanDerWaalsContact OE2-CD 3.3Å; E1180-K1183 WeakPolarHBondContact OE2-CD 3.26Å; E1180-D1184 WeakPolarHBondContact O-CB 3.36Å; E1180-D1184 PolarHBondContact O-N 2.69Å |
| 1181 | A | 61.8 | Low | 60.2 | Low | 61 Ų | 61 | 74.4 Ų | 74.4 | 50% | 0.504 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -57.3 | -36.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | S1177 R1178 L1185 | S1177-A1181 WeakPolarHBondContact O-CB 3.31Å; S1177-A1181 PolarHBondContact O-N 2.78Å; R1178-A1181 PolarHBondContact O-N 3.19Å; A1181-L1185 WeakPolarHBondContact O-CB 3.08Å; A1181-L1185 PolarHBondContact O-N 3.05Å |
| 1182 | L | 59.3 | Low | 60 | Low | 25 Ų | 25 | 75.7 Ų | 75.7 | 13% | 0.131 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -72.8 | -38.8 | 177.5 | -141.6 | 132.7 | 0 | 0 | 0 | 112.6 | R1178 I1179 E1180 L1185 M1186 V1216 W1220 | R1178-L1182 WeakPolarHBondContact O-CB 3.37Å; R1178-L1182 PolarHBondContact O-N 2.66Å; I1179-L1182 CarbonylContact O-C 3.56Å; I1179-L1182 WeakPolarHBondContact O-CB 3.22Å; I1179-L1182 PolarHBondContact O-N 2.86Å; I1179-L1182 VanDerWaalsContact O-N 3.17Å; E1180-L1182 PolarHBondContact O-N 2.77Å; L1182-L1185 PolarHBondContact O-N 3.23Å; L1182-M1186 HydrophobicContact CD2-CG 4.28Å; L1182-M1186 VanDerWaalsContact O-CB 3.28Å; L1182-M1186 WeakPolarHBondContact O-CB 3.46Å; L1182-M1186 WeakPolarHBondContact O-CG 3.28Å; L1182-M1186 PolarHBondContact O-N 3.37Å; L1182-V1216 HydrophobicContact CD2-CG1 4.22Å; L1182-W1220 HydrophobicContact CD2-CB 4.18Å |
| 1183 | K | 57.3 | Low | 59.7 | Low | 110 Ų | 110 | 78.7 Ų | 78.7 | 48% | 0.478 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -64.1 | -44.8 | 173.2 | -79.6 | 175.4 | 178.2 | 178.4 | 0 | 111.6 | I1179 E1180 L1185 M1186 Q1187 | I1179-K1183 HydrophobicContact CG2-CD 4.45Å; I1179-K1183 PolarHBondContact O-N 3.28Å; E1180-K1183 PolarHBondContact O-N 3.21Å; E1180-K1183 VanDerWaalsContact OE1-CD 3.29Å; E1180-K1183 WeakPolarHBondContact OE1-CD 3.48Å; E1180-K1183 IonicContact OE1-NZ 3.03Å; E1180-K1183 PolarHBondContact OE1-NZ 3.29Å; E1180-K1183 VanDerWaalsContact OE2-CD 3.3Å; E1180-K1183 WeakPolarHBondContact OE2-CD 3.26Å; K1183-L1185 VanDerWaalsContact C-N 3.32Å; K1183-L1185 PolarHBondContact O-N 2.03Å; K1183-M1186 CarbonylContact O-C 3.3Å; K1183-M1186 WeakPolarHBondContact O-CB 3.22Å; K1183-M1186 PolarHBondContact O-N 3.22Å; K1183-Q1187 VanDerWaalsContact O-CB 3.3Å; K1183-Q1187 WeakPolarHBondContact O-CB 3.3Å; K1183-Q1187 PolarHBondContact O-N 2.77Å |
| 1184 | D | 63.2 | Low | 59.3 | Low | 79 Ų | 79 | 82.2 Ų | 82.2 | 42% | 0.422 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -62.4 | -41.4 | 175.6 | -174.9 | 57.8 | 0 | 0 | 0 | 110.8 | E1180 Q1187 K1188 | E1180-D1184 WeakPolarHBondContact O-CB 3.36Å; E1180-D1184 PolarHBondContact O-N 2.69Å; D1184-Q1187 PolarHBondContact O-N 3.08Å; D1184-K1188 WeakPolarHBondContact O-CB 3.31Å; D1184-K1188 WeakPolarHBondContact O-CG 3.48Å; D1184-K1188 PolarHBondContact O-N 2.76Å; D1184-K1188 VanDerWaalsContact OD2-CE 3.29Å; D1184-K1188 WeakPolarHBondContact OD2-CE 3.41Å; D1184-K1188 IonicContact OD2-NZ 2.99Å; D1184-K1188 PolarHBondContact OD2-NZ 3.45Å |
| 1185 | L | 61.4 | Low | 58.9 | Low | 79 Ų | 79 | 82.5 Ų | 82.5 | 41% | 0.414 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63.6 | -43.4 | 173.9 | -155.7 | 95.9 | 0 | 0 | 0 | 111.9 | A1181 L1182 K1183 K1188 L1189 V1216 | A1181-L1185 WeakPolarHBondContact O-CB 3.08Å; A1181-L1185 PolarHBondContact O-N 3.05Å; L1182-L1185 PolarHBondContact O-N 3.23Å; K1183-L1185 VanDerWaalsContact C-N 3.32Å; K1183-L1185 PolarHBondContact O-N 2.03Å; L1185-K1188 PolarHBondContact O-N 2.71Å; L1185-L1189 VanDerWaalsContact O-CB 3.26Å; L1185-L1189 WeakPolarHBondContact O-CB 3.31Å; L1185-L1189 PolarHBondContact O-N 3.19Å; L1185-V1216 HydrophobicContact CD2-CB 4.47Å; L1185-V1216 HydrophobicContact CD2-CG2 3.56Å |
| 1186 | M | 58.1 | Low | 58.6 | Low | 97 Ų | 97 | 83.3 Ų | 83.3 | 48% | 0.478 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -64.6 | -38 | 175.9 | -79.9 | -88.9 | -69.9 | 0 | 0 | 112.2 | L1182 K1183 L1189 R1190 V1216 | L1182-M1186 HydrophobicContact CD2-CG 4.28Å; L1182-M1186 VanDerWaalsContact O-CB 3.28Å; L1182-M1186 WeakPolarHBondContact O-CB 3.46Å; L1182-M1186 WeakPolarHBondContact O-CG 3.28Å; L1182-M1186 PolarHBondContact O-N 3.37Å; K1183-M1186 CarbonylContact O-C 3.3Å; K1183-M1186 WeakPolarHBondContact O-CB 3.22Å; K1183-M1186 PolarHBondContact O-N 3.22Å; M1186-L1189 PolarHBondContact O-N 3.39Å; M1186-R1190 VanDerWaalsContact O-CB 3.31Å; M1186-R1190 WeakPolarHBondContact O-CB 3.39Å; M1186-R1190 PolarHBondContact O-N 3.18Å; M1186-V1216 HydrophobicContact CG-CG1 4.1Å; M1186-V1216 HydrophobicContact SD-CG1 3.94Å |
| 1187 | Q | 61 | Low | 58.4 | Low | 76 Ų | 76 | 85.1 Ų | 85.1 | 36% | 0.355 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -70.5 | -46.7 | 177 | -174.7 | 62.2 | 39.2 | 0 | 0 | 110 | K1183 D1184 L1189 R1190 D1191 | K1183-Q1187 VanDerWaalsContact O-CB 3.3Å; K1183-Q1187 WeakPolarHBondContact O-CB 3.3Å; K1183-Q1187 PolarHBondContact O-N 2.77Å; D1184-Q1187 PolarHBondContact O-N 3.08Å; Q1187-L1189 VanDerWaalsContact C-N 3.25Å; Q1187-L1189 PolarHBondContact O-N 3.38Å; Q1187-R1190 WeakPolarHBondContact O-CB 3.15Å; Q1187-R1190 PolarHBondContact O-N 3.38Å; Q1187-R1190 VanDerWaalsContact O-N 3.11Å; Q1187-D1191 PolarHBondContact NE2-OD1 2.98Å; Q1187-D1191 PolarHBondContact NE2-OD2 3.23Å; Q1187-D1191 WeakPolarHBondContact O-CB 3.33Å; Q1187-D1191 PolarHBondContact O-N 3.34Å |
| 1188 | K | 62.4 | Low | 58.1 | Low | 115 Ų | 115 | 85.5 Ų | 85.5 | 50% | 0.5 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -56.3 | -40.6 | 170.9 | -78.1 | 169.6 | 177.2 | 159.6 | 0 | 111.9 | D1184 L1185 Q1192 | D1184-K1188 WeakPolarHBondContact O-CB 3.31Å; D1184-K1188 WeakPolarHBondContact O-CG 3.48Å; D1184-K1188 PolarHBondContact O-N 2.76Å; D1184-K1188 VanDerWaalsContact OD2-CE 3.29Å; D1184-K1188 WeakPolarHBondContact OD2-CE 3.41Å; D1184-K1188 IonicContact OD2-NZ 2.99Å; D1184-K1188 PolarHBondContact OD2-NZ 3.45Å; L1185-K1188 PolarHBondContact O-N 2.71Å; K1188-Q1192 VanDerWaalsContact O-CB 3.31Å; K1188-Q1192 WeakPolarHBondContact O-CB 3.24Å; K1188-Q1192 WeakPolarHBondContact O-CG 3.47Å; K1188-Q1192 PolarHBondContact O-N 3.04Å |
| 1189 | L | 59.2 | Low | 57.8 | Low | 19 Ų | 19 | 85 Ų | 85 | 10% | 0.099 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -68.4 | -41.9 | 176.2 | -166.3 | 80.6 | 0 | 0 | 0 | 111.2 | L1185 M1186 Q1187 Q1192 I1193 Q1212 L1213 V1216 | L1185-L1189 VanDerWaalsContact O-CB 3.26Å; L1185-L1189 WeakPolarHBondContact O-CB 3.31Å; L1185-L1189 PolarHBondContact O-N 3.19Å; M1186-L1189 PolarHBondContact O-N 3.39Å; Q1187-L1189 VanDerWaalsContact C-N 3.25Å; Q1187-L1189 PolarHBondContact O-N 3.38Å; L1189-Q1192 CarbonylContact O-C 3.59Å; L1189-Q1192 PolarHBondContact O-N 2.74Å; L1189-I1193 HydrophobicContact CD2-CD1 4.28Å; L1189-I1193 HydrophobicContact CG-CD1 4.06Å; L1189-I1193 WeakPolarHBondContact O-CB 3.41Å; L1189-I1193 WeakPolarHBondContact O-CG1 3.45Å; L1189-I1193 PolarHBondContact O-N 2.79Å; L1189-Q1212 HydrophobicContact CD1-CB 4.16Å; L1189-L1213 HydrophobicContact CD2-CD1 4.02Å; L1189-L1213 HydrophobicContact CD2-CG 4.44Å; L1189-V1216 HydrophobicContact CD2-CG2 4.36Å |
| 1190 | R | 54.8 | Low | 57.2 | Low | 155 Ų | 155 | 86 Ų | 86 | 59% | 0.585 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -61.7 | -45.1 | 174.8 | -179.3 | -169.9 | -68.7 | 172.2 | -6.1 | 110.9 | M1186 Q1187 Q1192 I1193 Y1194 | M1186-R1190 VanDerWaalsContact O-CB 3.31Å; M1186-R1190 WeakPolarHBondContact O-CB 3.39Å; M1186-R1190 PolarHBondContact O-N 3.18Å; Q1187-R1190 WeakPolarHBondContact O-CB 3.15Å; Q1187-R1190 PolarHBondContact O-N 3.38Å; Q1187-R1190 VanDerWaalsContact O-N 3.11Å; R1190-Q1192 VanDerWaalsContact C-N 3.32Å; R1190-I1193 CarbonylContact O-C 3.31Å; R1190-I1193 PolarHBondContact O-N 2.83Å; R1190-Y1194 WeakPolarHBondContact O-CB 3.32Å; R1190-Y1194 PolarHBondContact O-N 3.49Å |
| 1191 | D | 60.5 | Low | 56.7 | Low | 84 Ų | 84 | 88.3 Ų | 88.3 | 45% | 0.449 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -66.1 | -39.4 | 178.1 | -65.1 | -20.2 | 0 | 0 | 0 | 110 | Q1187 Y1194 L1195 | Q1187-D1191 PolarHBondContact NE2-OD1 2.98Å; Q1187-D1191 PolarHBondContact NE2-OD2 3.23Å; Q1187-D1191 WeakPolarHBondContact O-CB 3.33Å; Q1187-D1191 PolarHBondContact O-N 3.34Å; D1191-Y1194 PolarHBondContact O-N 2.99Å; D1191-L1195 WeakPolarHBondContact O-CB 3.02Å; D1191-L1195 PolarHBondContact O-N 3.49Å |
| 1192 | Q | 60.9 | Low | 56 | Low | 89 Ų | 89 | 95.8 Ų | 95.8 | 42% | 0.416 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -64.4 | -42 | 170.1 | -85.4 | -170.8 | -26.6 | 0 | 0 | 112.3 | K1188 L1189 R1190 Y1194 L1195 T1196 | K1188-Q1192 VanDerWaalsContact O-CB 3.31Å; K1188-Q1192 WeakPolarHBondContact O-CB 3.24Å; K1188-Q1192 WeakPolarHBondContact O-CG 3.47Å; K1188-Q1192 PolarHBondContact O-N 3.04Å; L1189-Q1192 CarbonylContact O-C 3.59Å; L1189-Q1192 PolarHBondContact O-N 2.74Å; R1190-Q1192 VanDerWaalsContact C-N 3.32Å; Q1192-Y1194 VanDerWaalsContact C-N 3.31Å; Q1192-Y1194 PolarHBondContact O-N 3.47Å; Q1192-L1195 PolarHBondContact O-N 2.9Å; Q1192-T1196 WeakPolarHBondContact O-CA 3Å; Q1192-T1196 WeakPolarHBondContact O-CB 3.48Å; Q1192-T1196 PolarHBondContact O-N 3.26Å; Q1192-T1196 PolarHBondContact O-OG1 2.76Å |
| 1193 | I | 53.5 | Low | 55.2 | Low | 84 Ų | 84 | 101.3 Ų | 101.3 | 43% | 0.431 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.7 | -41.1 | 176.1 | -73.1 | 163 | 0 | 0 | 0 | 109.3 | L1189 R1190 T1196 N1197 | L1189-I1193 HydrophobicContact CD2-CD1 4.28Å; L1189-I1193 HydrophobicContact CG-CD1 4.06Å; L1189-I1193 WeakPolarHBondContact O-CB 3.41Å; L1189-I1193 WeakPolarHBondContact O-CG1 3.45Å; L1189-I1193 PolarHBondContact O-N 2.79Å; R1190-I1193 CarbonylContact O-C 3.31Å; R1190-I1193 PolarHBondContact O-N 2.83Å; I1193-T1196 CarbonylContact O-C 3.59Å; I1193-T1196 PolarHBondContact O-N 3.02Å; I1193-N1197 WeakPolarHBondContact O-CB 3.41Å; I1193-N1197 PolarHBondContact O-N 3.25Å |
| 1194 | Y | 52.6 | Low | 54.6 | Low | 163 Ų | 163 | 102 Ų | 102 | 64% | 0.639 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -66.7 | -46.3 | 176.9 | -174.7 | -92.7 | 0 | 0 | 0 | 111.7 | R1190 D1191 Q1192 T1196 N1197 T1198 | R1190-Y1194 WeakPolarHBondContact O-CB 3.32Å; R1190-Y1194 PolarHBondContact O-N 3.49Å; D1191-Y1194 PolarHBondContact O-N 2.99Å; Q1192-Y1194 VanDerWaalsContact C-N 3.31Å; Q1192-Y1194 PolarHBondContact O-N 3.47Å; Y1194-T1196 VanDerWaalsContact C-N 3.26Å; Y1194-T1196 PolarHBondContact O-N 3.03Å; Y1194-N1197 PolarHBondContact O-N 3.08Å; Y1194-T1198 HydrophobicContact CE1-CG2 4.37Å; Y1194-T1198 PolarHBondContact O-N 3.39Å; Y1194-T1198 PolarHBondContact O-OG1 3.19Å |
| 1195 | L | 54.1 | Low | 54 | Low | 106 Ų | 106 | 103.7 Ų | 103.7 | 56% | 0.555 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.8 | -34.4 | 174.7 | -159.4 | 82.7 | 0 | 0 | 0 | 111.3 | D1191 Q1192 T1198 N1199 | D1191-L1195 WeakPolarHBondContact O-CB 3.02Å; D1191-L1195 PolarHBondContact O-N 3.49Å; Q1192-L1195 PolarHBondContact O-N 2.9Å; L1195-T1198 VanDerWaalsContact C-OG1 3.26Å; L1195-T1198 VanDerWaalsContact CA-OG1 3.24Å; L1195-T1198 WeakPolarHBondContact CA-OG1 3.24Å; L1195-T1198 PolarHBondContact O-OG1 2.73Å; L1195-N1199 VanDerWaalsContact O-CB 3.31Å; L1195-N1199 WeakPolarHBondContact O-CB 3.34Å; L1195-N1199 PolarHBondContact O-N 3.49Å; L1195-N1199 PolarHBondContact O-ND2 3.46Å |
| 1196 | T | 51.9 | Low | 53.5 | Low | 29 Ų | 29 | 104.6 Ų | 104.6 | 18% | 0.178 | 51% | 0.514 | C | S | . | . | H | α-helix | trans | -76.9 | -38.6 | 177 | -54.1 | 0 | 0 | 0 | 0 | 110.3 | Q1192 I1193 Y1194 T1198 N1199 I1200 Q1209 | Q1192-T1196 WeakPolarHBondContact O-CA 3Å; Q1192-T1196 WeakPolarHBondContact O-CB 3.48Å; Q1192-T1196 PolarHBondContact O-N 3.26Å; Q1192-T1196 PolarHBondContact O-OG1 2.76Å; I1193-T1196 CarbonylContact O-C 3.59Å; I1193-T1196 PolarHBondContact O-N 3.02Å; Y1194-T1196 VanDerWaalsContact C-N 3.26Å; Y1194-T1196 PolarHBondContact O-N 3.03Å; T1196-T1198 PolarHBondContact O-N 3.41Å; T1196-N1199 CarbonylContact O-C 3.57Å; T1196-N1199 WeakPolarHBondContact O-CA 2.98Å; T1196-N1199 PolarHBondContact O-N 2.92Å; T1196-I1200 HydrophobicContact CG2-CD1 3.78Å; T1196-I1200 HydrophobicContact CG2-CG1 3.84Å; T1196-I1200 WeakPolarHBondContact O-CA 3.31Å; T1196-I1200 WeakPolarHBondContact O-CB 3.34Å; T1196-I1200 WeakPolarHBondContact O-CG1 3.27Å; T1196-I1200 PolarHBondContact O-N 2.9Å; T1196-Q1209 PolarHBondContact OG1-NE2 3.06Å |
| 1197 | N | 52.6 | Low | 53.2 | Low | 105 Ų | 105 | 106.8 Ų | 106.8 | 56% | 0.561 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62.6 | -33.6 | 174.7 | -163.1 | 49.1 | 0 | 0 | 0 | 111.1 | I1193 Y1194 | I1193-N1197 WeakPolarHBondContact O-CB 3.41Å; I1193-N1197 PolarHBondContact O-N 3.25Å; Y1194-N1197 PolarHBondContact O-N 3.08Å |
| 1198 | T | 54.8 | Low | 53 | Low | 72 Ų | 72 | 107.9 Ų | 107.9 | 44% | 0.442 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -76.9 | -27.6 | 171.9 | 44.8 | 0 | 0 | 0 | 0 | 113.3 | Y1194 L1195 T1196 | Y1194-T1198 HydrophobicContact CE1-CG2 4.37Å; Y1194-T1198 PolarHBondContact O-N 3.39Å; Y1194-T1198 PolarHBondContact O-OG1 3.19Å; L1195-T1198 VanDerWaalsContact C-OG1 3.26Å; L1195-T1198 VanDerWaalsContact CA-OG1 3.24Å; L1195-T1198 WeakPolarHBondContact CA-OG1 3.24Å; L1195-T1198 PolarHBondContact O-OG1 2.73Å; T1196-T1198 PolarHBondContact O-N 3.41Å |
| 1199 | N | 56.2 | Low | 52.6 | Low | 87 Ų | 87 | 104.9 Ų | 104.9 | 47% | 0.465 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -90.2 | -13.7 | 174 | -70.2 | -33.9 | 0 | 0 | 0 | 114.4 | L1195 T1196 D1201 R1202 L1203 | L1195-N1199 VanDerWaalsContact O-CB 3.31Å; L1195-N1199 WeakPolarHBondContact O-CB 3.34Å; L1195-N1199 PolarHBondContact O-N 3.49Å; L1195-N1199 PolarHBondContact O-ND2 3.46Å; T1196-N1199 CarbonylContact O-C 3.57Å; T1196-N1199 WeakPolarHBondContact O-CA 2.98Å; T1196-N1199 PolarHBondContact O-N 2.92Å; N1199-D1201 PolarHBondContact O-N 3.21Å; N1199-R1202 CarbonylContact O-C 3.51Å; N1199-R1202 WeakPolarHBondContact O-CA 3.39Å; N1199-R1202 PolarHBondContact O-N 3.29Å; N1199-L1203 PolarHBondContact O-N 3.29Å |
| 1200 | I | 46.7 | Very low | 52.5 | Low | 74 Ų | 74 | 109.1 Ų | 109.1 | 38% | 0.379 | 55% | 0.547 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -26.3 | -179.5 | -90.6 | 163.1 | 0 | 0 | 0 | 109.9 | T1196 R1202 | T1196-I1200 HydrophobicContact CG2-CD1 3.78Å; T1196-I1200 HydrophobicContact CG2-CG1 3.84Å; T1196-I1200 WeakPolarHBondContact O-CA 3.31Å; T1196-I1200 WeakPolarHBondContact O-CB 3.34Å; T1196-I1200 WeakPolarHBondContact O-CG1 3.27Å; T1196-I1200 PolarHBondContact O-N 2.9Å; I1200-R1202 PolarHBondContact O-N 2.86Å |
| 1201 | D | 48.6 | Very low | 52.6 | Low | 145 Ų | 145 | 111.4 Ų | 111.4 | 78% | 0.775 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.4 | -7.7 | 166.7 | -77.6 | -16.6 | 0 | 0 | 0 | 113 | N1199 | N1199-D1201 PolarHBondContact O-N 3.21Š|
| 1202 | R | 47.5 | Very low | 52.6 | Low | 219 Ų | 219 | 111.3 Ų | 111.3 | 83% | 0.826 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.2 | -13.5 | -174.8 | -66.1 | -170.8 | 176.9 | 179.9 | -0 | 117.6 | N1199 I1200 | N1199-R1202 CarbonylContact O-C 3.51Å; N1199-R1202 WeakPolarHBondContact O-CA 3.39Å; N1199-R1202 PolarHBondContact O-N 3.29Å; I1200-R1202 PolarHBondContact O-N 2.86Å |
| 1203 | L | 42.2 | Very low | 52.3 | Low | 140 Ų | 140 | 110.9 Ų | 110.9 | 73% | 0.733 | 55% | 0.552 | S | S | * | * | trans | -149.5 | 151.4 | -178.7 | -77.1 | 169.6 | 0 | 0 | 0 | 115.3 | N1199 | N1199-L1203 PolarHBondContact O-N 3.29Š| ||
| 1204 | P | 43.6 | Very low | 52.8 | Low | 126 Ų | 126 | 112 Ų | 112 | 82% | 0.818 | 56% | 0.559 | S | S | * | * | trans | -118.2 | 48.3 | -160.5 | 36.2 | -17.7 | 0 | 0 | 0 | 117 | ||||
| 1205 | D | 51.4 | Low | 53.5 | Low | 114 Ų | 114 | 107.1 Ų | 107.1 | 61% | 0.61 | 55% | 0.549 | S | S | * | . | trans | -139.9 | 105.8 | 166 | -164.5 | -1 | 0 | 0 | 0 | 113.9 | M1207 | D1205-M1207 PolarHBondContact OD1-N 2.71Å; D1205-M1207 VanDerWaalsContact OD1-N 3.1Å | ||
| 1206 | I | 51.1 | Low | 53.9 | Low | 97 Ų | 97 | 102.5 Ų | 102.5 | 50% | 0.497 | 53% | 0.525 | S | S | . | . | trans | -92.1 | -14.9 | -176.6 | -69.6 | 168.6 | 0 | 0 | 0 | 111.5 | T1208 Q1209 | I1206-T1208 VanDerWaalsContact C-N 3.33Å; I1206-T1208 PolarHBondContact O-N 3.16Å; I1206-Q1209 PolarHBondContact O-N 2.85Å; I1206-Q1209 VanDerWaalsContact O-N 3.14Å | ||
| 1207 | M | 51.9 | Low | 54.3 | Low | 143 Ų | 143 | 104.3 Ų | 104.3 | 70% | 0.704 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -67.6 | -28.3 | -168.6 | -89.3 | 176.5 | 85.6 | 0 | 0 | 114.1 | D1205 Q1209 | D1205-M1207 PolarHBondContact OD1-N 2.71Å; D1205-M1207 VanDerWaalsContact OD1-N 3.1Å; M1207-Q1209 PolarHBondContact O-N 3.44Å |
| 1208 | T | 56.7 | Low | 54.9 | Low | 100 Ų | 100 | 104.1 Ų | 104.1 | 61% | 0.613 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -66.4 | -24.3 | 178 | -25.5 | 0 | 0 | 0 | 0 | 112.3 | I1206 | I1206-T1208 VanDerWaalsContact C-N 3.33Å; I1206-T1208 PolarHBondContact O-N 3.16Å |
| 1209 | Q | 54.3 | Low | 55.4 | Low | 51 Ų | 51 | 103.2 Ų | 103.2 | 24% | 0.238 | 53% | 0.529 | C | S | . | . | H | α-helix | trans | -84.1 | -32.7 | -176.9 | -60.2 | -166.9 | -28.4 | 0 | 0 | 113.1 | T1196 I1206 M1207 R1211 Q1212 L1213 | T1196-Q1209 PolarHBondContact OG1-NE2 3.06Å; I1206-Q1209 PolarHBondContact O-N 2.85Å; I1206-Q1209 VanDerWaalsContact O-N 3.14Å; M1207-Q1209 PolarHBondContact O-N 3.44Å; Q1209-R1211 VanDerWaalsContact C-N 3.31Å; Q1209-R1211 PolarHBondContact O-N 3Å; Q1209-Q1212 WeakPolarHBondContact O-CB 3.33Å; Q1209-Q1212 PolarHBondContact O-N 3.34Å; Q1209-Q1212 VanDerWaalsContact O-N 3.12Å; Q1209-L1213 PolarHBondContact O-N 2.97Å |
| 1210 | L | 56.1 | Low | 55.5 | Low | 109 Ų | 109 | 105.2 Ų | 105.2 | 57% | 0.571 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -60.8 | -38.3 | 177.2 | -92.5 | 153 | 0 | 0 | 0 | 112.4 | Q1212 L1213 D1214 | L1210-Q1212 VanDerWaalsContact C-N 3.29Å; L1210-Q1212 PolarHBondContact O-N 3.46Å; L1210-L1213 WeakPolarHBondContact O-CB 3.23Å; L1210-L1213 PolarHBondContact O-N 3.25Å; L1210-D1214 PolarHBondContact O-N 3.4Å |
| 1211 | R | 58.3 | Low | 56.3 | Low | 203 Ų | 203 | 105.4 Ų | 105.4 | 77% | 0.766 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -65.8 | -29.5 | 176 | -77.2 | -174 | -178.3 | 149 | 1.7 | 113.5 | Q1209 L1213 | Q1209-R1211 VanDerWaalsContact C-N 3.31Å; Q1209-R1211 PolarHBondContact O-N 3Å; R1211-L1213 VanDerWaalsContact C-N 3.34Å |
| 1212 | Q | 58.9 | Low | 57.1 | Low | 81 Ų | 81 | 102.8 Ų | 102.8 | 38% | 0.379 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -69.6 | -37.5 | 175.6 | -69.5 | -176.8 | -17.9 | 0 | 0 | 110.5 | L1189 Q1209 L1210 D1214 S1215 V1216 | L1189-Q1212 HydrophobicContact CD1-CB 4.16Å; Q1209-Q1212 WeakPolarHBondContact O-CB 3.33Å; Q1209-Q1212 PolarHBondContact O-N 3.34Å; Q1209-Q1212 VanDerWaalsContact O-N 3.12Å; L1210-Q1212 VanDerWaalsContact C-N 3.29Å; L1210-Q1212 PolarHBondContact O-N 3.46Å; Q1212-D1214 PolarHBondContact O-N 2.86Å; Q1212-S1215 PolarHBondContact O-N 3.32Å; Q1212-S1215 PolarHBondContact O-OG 3.31Å; Q1212-V1216 VanDerWaalsContact O-CG2 3.32Å; Q1212-V1216 WeakPolarHBondContact O-CG2 3.12Å; Q1212-V1216 PolarHBondContact O-N 3.25Å |
| 1213 | L | 56.2 | Low | 57.7 | Low | 80 Ų | 80 | 92.9 Ų | 92.9 | 42% | 0.419 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -59.9 | -43.2 | 177.9 | -123.5 | 106.8 | 0 | 0 | 0 | 113 | L1189 Q1209 L1210 R1211 S1215 V1216 T1217 | L1189-L1213 HydrophobicContact CD2-CD1 4.02Å; L1189-L1213 HydrophobicContact CD2-CG 4.44Å; Q1209-L1213 PolarHBondContact O-N 2.97Å; L1210-L1213 WeakPolarHBondContact O-CB 3.23Å; L1210-L1213 PolarHBondContact O-N 3.25Å; R1211-L1213 VanDerWaalsContact C-N 3.34Å; L1213-S1215 VanDerWaalsContact C-N 3.3Å; L1213-S1215 PolarHBondContact O-N 2.79Å; L1213-V1216 PolarHBondContact O-N 2.76Å; L1213-V1216 VanDerWaalsContact O-N 3.16Å; L1213-T1217 PolarHBondContact O-N 2.96Å; L1213-T1217 PolarHBondContact O-OG1 3.37Å; L1213-T1217 VanDerWaalsContact O-OG1 3.07Å |
| 1214 | D | 63.9 | Low | 58.6 | Low | 108 Ų | 108 | 91.8 Ų | 91.8 | 58% | 0.578 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -59.1 | -40.9 | 177.1 | -79.2 | -23.8 | 0 | 0 | 0 | 111.8 | L1210 Q1212 V1216 T1217 I1218 | L1210-D1214 PolarHBondContact O-N 3.4Å; Q1212-D1214 PolarHBondContact O-N 2.86Å; D1214-V1216 VanDerWaalsContact C-N 3.31Å; D1214-V1216 PolarHBondContact O-N 3.26Å; D1214-T1217 PolarHBondContact O-N 2.97Å; D1214-I1218 WeakPolarHBondContact O-CG1 3.24Å; D1214-I1218 PolarHBondContact O-N 2.96Å |
| 1215 | S | 66.6 | Low | 59.5 | Low | 60 Ų | 60 | 90.9 Ų | 90.9 | 42% | 0.42 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -64.8 | -35 | 177.9 | 78.3 | 0 | 0 | 0 | 0 | 112.9 | Q1212 L1213 T1219 | Q1212-S1215 PolarHBondContact O-N 3.32Å; Q1212-S1215 PolarHBondContact O-OG 3.31Å; L1213-S1215 VanDerWaalsContact C-N 3.3Å; L1213-S1215 PolarHBondContact O-N 2.79Å; S1215-T1219 PolarHBondContact O-N 2.89Å; S1215-T1219 PolarHBondContact O-OG1 2.95Å |
| 1216 | V | 62.1 | Low | 60.1 | Low | 10 Ų | 10 | 88.1 Ų | 88.1 | 6% | 0.061 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -69.9 | -39.3 | 175.2 | -171.5 | 0 | 0 | 0 | 0 | 110.6 | L1182 L1185 M1186 L1189 Q1212 L1213 D1214 T1219 W1220 | L1182-V1216 HydrophobicContact CD2-CG1 4.22Å; L1185-V1216 HydrophobicContact CD2-CB 4.47Å; L1185-V1216 HydrophobicContact CD2-CG2 3.56Å; M1186-V1216 HydrophobicContact CG-CG1 4.1Å; M1186-V1216 HydrophobicContact SD-CG1 3.94Å; L1189-V1216 HydrophobicContact CD2-CG2 4.36Å; Q1212-V1216 VanDerWaalsContact O-CG2 3.32Å; Q1212-V1216 WeakPolarHBondContact O-CG2 3.12Å; Q1212-V1216 PolarHBondContact O-N 3.25Å; L1213-V1216 PolarHBondContact O-N 2.76Å; L1213-V1216 VanDerWaalsContact O-N 3.16Å; D1214-V1216 VanDerWaalsContact C-N 3.31Å; D1214-V1216 PolarHBondContact O-N 3.26Å; V1216-T1219 WeakPolarHBondContact CA-OG1 3.03Å; V1216-T1219 PolarHBondContact O-N 3.06Å; V1216-T1219 PolarHBondContact O-OG1 2.9Å; V1216-W1220 VanDerWaalsContact O-CB 3.31Å; V1216-W1220 WeakPolarHBondContact O-CB 3.43Å; V1216-W1220 PolarHBondContact O-N 3.23Å |
| 1217 | T | 60.9 | Low | 60.5 | Low | 66 Ų | 66 | 85 Ų | 85 | 41% | 0.405 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -67.5 | -38.9 | 179.9 | -56.4 | 0 | 0 | 0 | 0 | 111.7 | L1213 D1214 W1220 N1221 | L1213-T1217 PolarHBondContact O-N 2.96Å; L1213-T1217 PolarHBondContact O-OG1 3.37Å; L1213-T1217 VanDerWaalsContact O-OG1 3.07Å; D1214-T1217 PolarHBondContact O-N 2.97Å; T1217-W1220 PolarHBondContact O-N 3.03Å; T1217-N1221 PolarHBondContact O-N 3.16Å; T1217-N1221 PolarHBondContact O-ND2 2.78Å; T1217-N1221 VanDerWaalsContact O-ND2 3.11Å |
| 1218 | I | 65 | Low | 60.9 | Low | 102 Ų | 102 | 84 Ų | 84 | 52% | 0.523 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -62.9 | -50.2 | 174.4 | -67.7 | 167.4 | 0 | 0 | 0 | 110.7 | D1214 W1220 N1221 E1222 | D1214-I1218 WeakPolarHBondContact O-CG1 3.24Å; D1214-I1218 PolarHBondContact O-N 2.96Å; I1218-W1220 VanDerWaalsContact C-N 3.29Å; I1218-W1220 PolarHBondContact O-N 3.05Å; I1218-N1221 PolarHBondContact O-N 3.3Å; I1218-E1222 PolarHBondContact O-N 2.86Å |
| 1219 | T | 64.9 | Low | 61.4 | Low | 52 Ų | 52 | 85.8 Ų | 85.8 | 32% | 0.319 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -63.4 | -34.5 | 179.6 | 43.9 | 0 | 0 | 0 | 0 | 112.6 | S1215 V1216 A1223 | S1215-T1219 PolarHBondContact O-N 2.89Å; S1215-T1219 PolarHBondContact O-OG1 2.95Å; V1216-T1219 WeakPolarHBondContact CA-OG1 3.03Å; V1216-T1219 PolarHBondContact O-N 3.06Å; V1216-T1219 PolarHBondContact O-OG1 2.9Å; T1219-A1223 WeakPolarHBondContact O-CB 3.5Å; T1219-A1223 PolarHBondContact O-N 2.94Å |
| 1220 | W | 59.7 | Low | 61.7 | Low | 130 Ų | 130 | 84.4 Ų | 84.4 | 49% | 0.492 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -66 | -45.2 | 174.3 | 179.4 | 83.3 | 0 | 0 | 0 | 112.2 | L1182 V1216 T1217 I1218 E1222 A1223 K1224 | L1182-W1220 HydrophobicContact CD2-CB 4.18Å; V1216-W1220 VanDerWaalsContact O-CB 3.31Å; V1216-W1220 WeakPolarHBondContact O-CB 3.43Å; V1216-W1220 PolarHBondContact O-N 3.23Å; T1217-W1220 PolarHBondContact O-N 3.03Å; I1218-W1220 VanDerWaalsContact C-N 3.29Å; I1218-W1220 PolarHBondContact O-N 3.05Å; W1220-E1222 VanDerWaalsContact C-N 3.34Å; W1220-E1222 PolarHBondContact O-N 2.81Å; W1220-A1223 PolarHBondContact O-N 2.76Å; W1220-K1224 HydrophobicContact CH2-CD 3.74Å; W1220-K1224 HydrophobicContact CZ2-CD 4.13Å; W1220-K1224 HydrophobicContact CZ3-CD 3.96Å; W1220-K1224 WeakPolarHBondContact O-CB 3.49Å; W1220-K1224 PolarHBondContact O-N 3.12Å |
| 1221 | N | 62.5 | Low | 61.9 | Low | 77 Ų | 77 | 83.5 Ų | 83.5 | 41% | 0.412 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63.3 | -40.4 | 177.5 | -78.7 | -43.5 | 0 | 0 | 0 | 111.7 | T1217 I1218 K1224 E1225 | T1217-N1221 PolarHBondContact O-N 3.16Å; T1217-N1221 PolarHBondContact O-ND2 2.78Å; T1217-N1221 VanDerWaalsContact O-ND2 3.11Å; I1218-N1221 PolarHBondContact O-N 3.3Å; N1221-K1224 PolarHBondContact O-N 3.17Å; N1221-E1225 WeakPolarHBondContact O-CB 3.44Å; N1221-E1225 PolarHBondContact O-N 3.3Å |
| 1222 | E | 65.8 | Low | 62.2 | Low | 90 Ų | 90 | 78 Ų | 78 | 42% | 0.421 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -61.7 | -45.1 | 173.1 | -73.5 | -176.4 | -174.3 | 0 | 0 | 112.4 | R1178 I1218 W1220 K1224 E1225 T1226 | R1178-E1222 IonicContact NH2-OE2 3.49Å; R1178-E1222 PolarHBondContact NH2-OE2 2.79Å; I1218-E1222 PolarHBondContact O-N 2.86Å; W1220-E1222 VanDerWaalsContact C-N 3.34Å; W1220-E1222 PolarHBondContact O-N 2.81Å; E1222-K1224 VanDerWaalsContact C-N 3.33Å; E1222-K1224 PolarHBondContact O-N 3.15Å; E1222-E1225 PolarHBondContact O-N 2.91Å; E1222-T1226 WeakPolarHBondContact O-CB 3.46Å; E1222-T1226 PolarHBondContact O-N 3.45Å; E1222-T1226 PolarHBondContact O-OG1 2.92Å |
| 1223 | A | 60.7 | Low | 62.4 | Low | 12 Ų | 12 | 81.8 Ų | 81.8 | 10% | 0.099 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -62.4 | -41.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | T1219 W1220 T1226 S1227 | T1219-A1223 WeakPolarHBondContact O-CB 3.5Å; T1219-A1223 PolarHBondContact O-N 2.94Å; W1220-A1223 PolarHBondContact O-N 2.76Å; A1223-T1226 PolarHBondContact O-N 2.99Å; A1223-S1227 WeakPolarHBondContact O-CB 3.19Å; A1223-S1227 PolarHBondContact O-N 2.93Å |
| 1224 | K | 59.4 | Low | 62.6 | Low | 116 Ų | 116 | 79.6 Ų | 79.6 | 50% | 0.504 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -62 | -46.4 | 175.7 | -178.9 | 179.6 | 174.2 | -177.8 | 0 | 112.2 | W1220 N1221 E1222 T1226 S1227 K1228 | W1220-K1224 HydrophobicContact CH2-CD 3.74Å; W1220-K1224 HydrophobicContact CZ2-CD 4.13Å; W1220-K1224 HydrophobicContact CZ3-CD 3.96Å; W1220-K1224 WeakPolarHBondContact O-CB 3.49Å; W1220-K1224 PolarHBondContact O-N 3.12Å; N1221-K1224 PolarHBondContact O-N 3.17Å; E1222-K1224 VanDerWaalsContact C-N 3.33Å; E1222-K1224 PolarHBondContact O-N 3.15Å; K1224-T1226 VanDerWaalsContact C-N 3.33Å; K1224-T1226 PolarHBondContact O-N 3.05Å; K1224-S1227 WeakPolarHBondContact O-CB 3.49Å; K1224-S1227 PolarHBondContact O-N 3.36Å; K1224-K1228 PolarHBondContact O-N 2.8Å |
| 1225 | E | 63.8 | Low | 62.3 | Low | 108 Ų | 108 | 78.5 Ų | 78.5 | 51% | 0.505 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -65.3 | -39 | 178.3 | -161.7 | 68.8 | -159.9 | 0 | 0 | 111.3 | N1221 E1222 K1228 K1229 | N1221-E1225 WeakPolarHBondContact O-CB 3.44Å; N1221-E1225 PolarHBondContact O-N 3.3Å; E1222-E1225 PolarHBondContact O-N 2.91Å; E1225-K1228 PolarHBondContact O-N 3.12Å; E1225-K1229 PolarHBondContact O-N 3.44Å |
| 1226 | T | 64 | Low | 62.2 | Low | 56 Ų | 56 | 81.3 Ų | 81.3 | 34% | 0.344 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -66.1 | -42.3 | 176 | -47.7 | 0 | 0 | 0 | 0 | 111.1 | L1175 E1222 A1223 K1224 K1228 K1229 L1230 | L1175-T1226 HydrophobicContact CD1-CG2 3.78Å; E1222-T1226 WeakPolarHBondContact O-CB 3.46Å; E1222-T1226 PolarHBondContact O-N 3.45Å; E1222-T1226 PolarHBondContact O-OG1 2.92Å; A1223-T1226 PolarHBondContact O-N 2.99Å; K1224-T1226 VanDerWaalsContact C-N 3.33Å; K1224-T1226 PolarHBondContact O-N 3.05Å; T1226-K1228 PolarHBondContact O-N 3.05Å; T1226-K1229 PolarHBondContact O-N 2.81Å; T1226-L1230 WeakPolarHBondContact O-CB 3.39Å; T1226-L1230 PolarHBondContact O-N 2.84Å |
| 1227 | S | 59.4 | Low | 62 | Low | 30 Ų | 30 | 82 Ų | 82 | 21% | 0.21 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -59.5 | -45.5 | 175 | -172.6 | 0 | 0 | 0 | 0 | 111.6 | A1223 K1224 L1230 Q1231 | A1223-S1227 WeakPolarHBondContact O-CB 3.19Å; A1223-S1227 PolarHBondContact O-N 2.93Å; K1224-S1227 WeakPolarHBondContact O-CB 3.49Å; K1224-S1227 PolarHBondContact O-N 3.36Å; S1227-L1230 WeakPolarHBondContact O-CB 3.32Å; S1227-L1230 PolarHBondContact O-N 2.78Å; S1227-Q1231 PolarHBondContact O-N 2.99Å |
| 1228 | K | 60 | Low | 61.8 | Low | 122 Ų | 122 | 84.6 Ų | 84.6 | 53% | 0.53 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -62.7 | -46.2 | 178.2 | -167.2 | 179.7 | -179.8 | -174.7 | 0 | 112.6 | K1224 E1225 T1226 L1230 Q1231 D1232 | K1224-K1228 PolarHBondContact O-N 2.8Å; E1225-K1228 PolarHBondContact O-N 3.12Å; T1226-K1228 PolarHBondContact O-N 3.05Å; K1228-L1230 VanDerWaalsContact C-N 3.25Å; K1228-L1230 PolarHBondContact O-N 3.28Å; K1228-Q1231 WeakPolarHBondContact O-CB 3.28Å; K1228-Q1231 PolarHBondContact O-N 2.79Å; K1228-D1232 PolarHBondContact O-N 2.75Å |
| 1229 | K | 66.7 | Low | 61.7 | Low | 138 Ų | 138 | 83 Ų | 83 | 60% | 0.6 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -61.2 | -35.2 | 175 | -75.9 | -178.8 | -178.8 | 176.1 | 0 | 112.6 | E1225 T1226 R1233 | E1225-K1229 PolarHBondContact O-N 3.44Å; T1226-K1229 PolarHBondContact O-N 2.81Å; K1229-R1233 PolarHBondContact O-N 3.2Å |
| 1230 | L | 61.9 | Low | 61.6 | Low | 23 Ų | 23 | 84.8 Ų | 84.8 | 12% | 0.12 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -68.7 | -42.6 | 176.2 | -158.6 | 72.8 | 0 | 0 | 0 | 110.7 | N1171 L1175 T1226 S1227 K1228 D1232 R1233 F1234 | N1171-L1230 HydrophobicContact CB-CD1 3.65Å; L1175-L1230 HydrophobicContact CD2-CD2 4.01Å; T1226-L1230 WeakPolarHBondContact O-CB 3.39Å; T1226-L1230 PolarHBondContact O-N 2.84Å; S1227-L1230 WeakPolarHBondContact O-CB 3.32Å; S1227-L1230 PolarHBondContact O-N 2.78Å; K1228-L1230 VanDerWaalsContact C-N 3.25Å; K1228-L1230 PolarHBondContact O-N 3.28Å; L1230-D1232 PolarHBondContact O-N 3.35Å; L1230-R1233 WeakPolarHBondContact O-CB 3.48Å; L1230-R1233 PolarHBondContact O-N 2.88Å; L1230-F1234 HydrophobicContact CD2-CE2 3.81Å; L1230-F1234 HydrophobicContact CG-CD2 4.07Å; L1230-F1234 HydrophobicContact CG-CE2 3.69Å; L1230-F1234 WeakPolarHBondContact O-CD2 2.95Å; L1230-F1234 PolarHBondContact O-N 2.65Å |
| 1231 | Q | 60 | Low | 61.3 | Low | 90 Ų | 90 | 79.8 Ų | 79.8 | 42% | 0.421 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -58.5 | -46.5 | 176 | -170.8 | 176.4 | 14.8 | 0 | 0 | 112.3 | S1227 K1228 R1233 F1234 I1235 | S1227-Q1231 PolarHBondContact O-N 2.99Å; K1228-Q1231 WeakPolarHBondContact O-CB 3.28Å; K1228-Q1231 PolarHBondContact O-N 2.79Å; Q1231-R1233 VanDerWaalsContact C-N 3.3Å; Q1231-R1233 PolarHBondContact O-N 2.74Å; Q1231-F1234 WeakPolarHBondContact O-CB 3.36Å; Q1231-F1234 PolarHBondContact O-N 3.29Å; Q1231-F1234 VanDerWaalsContact O-N 3.14Å; Q1231-I1235 HydrophobicContact CG-CD1 4.42Å; Q1231-I1235 WeakPolarHBondContact O-CG1 3.22Å; Q1231-I1235 PolarHBondContact O-N 2.98Å |
| 1232 | D | 64.2 | Low | 61.2 | Low | 88 Ų | 88 | 81.3 Ų | 81.3 | 47% | 0.471 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -63.2 | -36.3 | 177.1 | -69.5 | -26.2 | 0 | 0 | 0 | 111.9 | K1228 L1230 N1236 | K1228-D1232 PolarHBondContact O-N 2.75Å; L1230-D1232 PolarHBondContact O-N 3.35Å; D1232-N1236 PolarHBondContact O-N 3.28Å |
| 1233 | R | 63.8 | Low | 61.2 | Low | 159 Ų | 159 | 82.1 Ų | 82.1 | 60% | 0.6 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -65 | -40.5 | 172.5 | -84 | -176.9 | 168.8 | -169.5 | -4.1 | 112.2 | K1229 L1230 Q1231 N1236 I1237 | K1229-R1233 PolarHBondContact O-N 3.2Å; L1230-R1233 WeakPolarHBondContact O-CB 3.48Å; L1230-R1233 PolarHBondContact O-N 2.88Å; Q1231-R1233 VanDerWaalsContact C-N 3.3Å; Q1231-R1233 PolarHBondContact O-N 2.74Å; R1233-N1236 PolarHBondContact O-N 3.39Å; R1233-I1237 WeakPolarHBondContact O-CD1 3.46Å; R1233-I1237 VanDerWaalsContact O-CG1 3.26Å; R1233-I1237 WeakPolarHBondContact O-CG1 2.97Å; R1233-I1237 PolarHBondContact O-N 3.38Å; R1233-I1237 VanDerWaalsContact O-N 3.09Å |
| 1234 | F | 59.1 | Low | 61.1 | Low | 35 Ų | 35 | 83 Ų | 83 | 15% | 0.154 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -61.9 | -46.5 | 176.8 | -85.5 | -71.3 | 0 | 0 | 0 | 111.9 | I1168 L1230 Q1231 N1236 I1237 E1238 | I1168-F1234 HydrophobicContact CB-CE1 4.48Å; I1168-F1234 HydrophobicContact CG2-CD1 3.99Å; I1168-F1234 HydrophobicContact CG2-CE1 3.2Å; I1168-F1234 HydrophobicContact CG2-CE2 3.8Å; I1168-F1234 HydrophobicContact CG2-CZ 3.08Å; L1230-F1234 HydrophobicContact CD2-CE2 3.81Å; L1230-F1234 HydrophobicContact CG-CD2 4.07Å; L1230-F1234 HydrophobicContact CG-CE2 3.69Å; L1230-F1234 WeakPolarHBondContact O-CD2 2.95Å; L1230-F1234 PolarHBondContact O-N 2.65Å; Q1231-F1234 WeakPolarHBondContact O-CB 3.36Å; Q1231-F1234 PolarHBondContact O-N 3.29Å; Q1231-F1234 VanDerWaalsContact O-N 3.14Å; F1234-N1236 VanDerWaalsContact C-N 3.32Å; F1234-N1236 PolarHBondContact O-N 2.78Å; F1234-I1237 PolarHBondContact O-N 3.34Å; F1234-I1237 VanDerWaalsContact O-N 3.11Å; F1234-E1238 WeakPolarHBondContact O-CB 3.5Å; F1234-E1238 PolarHBondContact O-N 3.47Å |
| 1235 | I | 57.9 | Low | 60.9 | Low | 84 Ų | 84 | 80.9 Ų | 80.9 | 43% | 0.431 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -59.2 | -44.1 | 179.3 | -67.3 | 167.9 | 0 | 0 | 0 | 110.9 | Q1231 I1237 E1238 S1239 | Q1231-I1235 HydrophobicContact CG-CD1 4.42Å; Q1231-I1235 WeakPolarHBondContact O-CG1 3.22Å; Q1231-I1235 PolarHBondContact O-N 2.98Å; I1235-I1237 VanDerWaalsContact C-N 3.32Å; I1235-I1237 PolarHBondContact O-N 2.95Å; I1235-E1238 PolarHBondContact O-N 2.9Å; I1235-S1239 PolarHBondContact O-N 2.78Å |
| 1236 | N | 64.1 | Low | 60.7 | Low | 119 Ų | 119 | 80.4 Ų | 80.4 | 64% | 0.636 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -63.5 | -37.8 | 176.5 | -92.4 | -16.5 | 0 | 0 | 0 | 112.6 | D1232 R1233 F1234 E1240 | D1232-N1236 PolarHBondContact O-N 3.28Å; R1233-N1236 PolarHBondContact O-N 3.39Å; F1234-N1236 VanDerWaalsContact C-N 3.32Å; F1234-N1236 PolarHBondContact O-N 2.78Å; N1236-E1240 WeakPolarHBondContact O-CB 3.39Å; N1236-E1240 PolarHBondContact O-N 2.96Å |
| 1237 | I | 58 | Low | 60.6 | Low | 26 Ų | 26 | 83 Ų | 83 | 13% | 0.133 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -74.1 | -37 | -179.9 | -69.2 | 169.1 | 0 | 0 | 0 | 111.2 | F1029 K1164 I1168 R1233 F1234 I1235 E1240 L1241 | F1029-I1237 HydrophobicContact CZ-CG2 4.05Å; K1164-I1237 HydrophobicContact CG-CD1 4.35Å; I1168-I1237 HydrophobicContact CD1-CB 4.47Å; I1168-I1237 HydrophobicContact CD1-CD1 3.27Å; I1168-I1237 HydrophobicContact CD1-CG1 4.39Å; I1168-I1237 HydrophobicContact CD1-CG2 4.04Å; I1168-I1237 HydrophobicContact CG1-CD1 3.86Å; R1233-I1237 WeakPolarHBondContact O-CD1 3.46Å; R1233-I1237 VanDerWaalsContact O-CG1 3.26Å; R1233-I1237 WeakPolarHBondContact O-CG1 2.97Å; R1233-I1237 PolarHBondContact O-N 3.38Å; R1233-I1237 VanDerWaalsContact O-N 3.09Å; F1234-I1237 PolarHBondContact O-N 3.34Å; F1234-I1237 VanDerWaalsContact O-N 3.11Å; I1235-I1237 VanDerWaalsContact C-N 3.32Å; I1235-I1237 PolarHBondContact O-N 2.95Å; I1237-E1240 PolarHBondContact O-N 3.47Å; I1237-L1241 WeakPolarHBondContact O-CB 3.47Å; I1237-L1241 PolarHBondContact O-N 2.97Å |
| 1238 | E | 58.1 | Low | 60.5 | Low | 119 Ų | 119 | 83.2 Ų | 83.2 | 56% | 0.556 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -59.8 | -46.6 | 171.7 | -175.4 | -175.5 | -175.2 | 0 | 0 | 111 | F1234 I1235 L1241 H1242 | F1234-E1238 WeakPolarHBondContact O-CB 3.5Å; F1234-E1238 PolarHBondContact O-N 3.47Å; I1235-E1238 PolarHBondContact O-N 2.9Å; E1238-L1241 PolarHBondContact O-N 3.23Å; E1238-H1242 WeakPolarHBondContact O-CB 3.39Å; E1238-H1242 PolarHBondContact O-N 3.09Å |
| 1239 | S | 62.9 | Low | 60.5 | Low | 70 Ų | 70 | 82.3 Ų | 82.3 | 49% | 0.49 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -62.5 | -43.5 | 177.1 | -174.4 | 0 | 0 | 0 | 0 | 112.3 | I1235 H1242 N1243 | I1235-S1239 PolarHBondContact O-N 2.78Å; S1239-H1242 PolarHBondContact O-N 2.91Å; S1239-N1243 PolarHBondContact O-N 2.82Å; S1239-N1243 VanDerWaalsContact O-N 3.12Å |
| 1240 | E | 60.9 | Low | 60.5 | Low | 89 Ų | 89 | 80.8 Ų | 80.8 | 42% | 0.416 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -65 | -39.3 | 177.2 | -167.6 | 159.9 | -163.5 | 0 | 0 | 111.7 | K1164 N1236 I1237 N1243 Q1244 | K1164-E1240 IonicContact NZ-OE2 3.03Å; K1164-E1240 PolarHBondContact NZ-OE2 2.75Å; N1236-E1240 WeakPolarHBondContact O-CB 3.39Å; N1236-E1240 PolarHBondContact O-N 2.96Å; I1237-E1240 PolarHBondContact O-N 3.47Å; E1240-N1243 PolarHBondContact O-N 3.43Å; E1240-Q1244 VanDerWaalsContact O-CG 3.28Å; E1240-Q1244 WeakPolarHBondContact O-CG 3.27Å; E1240-Q1244 PolarHBondContact O-N 3.33Å |
| 1241 | L | 54.2 | Low | 60.3 | Low | 25 Ų | 25 | 81 Ų | 81 | 13% | 0.131 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -69.4 | -39.8 | 176.8 | -164.6 | 75.3 | 0 | 0 | 0 | 112.2 | F1029 L1033 N1161 I1237 E1238 N1243 Q1244 M1245 | F1029-L1241 HydrophobicContact CD2-CD2 4.38Å; F1029-L1241 HydrophobicContact CE2-CD2 3.43Å; F1029-L1241 VanDerWaalsContact CE2-CD2 3.43Å; F1029-L1241 HydrophobicContact CZ-CD2 3.8Å; L1033-L1241 HydrophobicContact CD2-CD1 3.62Å; L1033-L1241 HydrophobicContact CD2-CD2 3.99Å; L1033-L1241 HydrophobicContact CD2-CG 4.48Å; N1161-L1241 HydrophobicContact CB-CD1 4.44Å; I1237-L1241 WeakPolarHBondContact O-CB 3.47Å; I1237-L1241 PolarHBondContact O-N 2.97Å; E1238-L1241 PolarHBondContact O-N 3.23Å; L1241-N1243 VanDerWaalsContact C-N 3.33Å; L1241-N1243 PolarHBondContact O-N 3.42Å; L1241-Q1244 CarbonylContact O-C 3.5Å; L1241-Q1244 PolarHBondContact O-N 3.01Å; L1241-Q1244 VanDerWaalsContact O-N 3.15Å; L1241-M1245 WeakPolarHBondContact O-CB 3.33Å; L1241-M1245 PolarHBondContact O-N 3.19Å |
| 1242 | H | 61.5 | Low | 60.2 | Low | 109 Ų | 109 | 79.2 Ų | 79.2 | 51% | 0.505 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -59.1 | -46.3 | 175.3 | -174 | 80.3 | 0 | 0 | 0 | 111 | E1238 S1239 Q1244 M1245 M1246 | E1238-H1242 WeakPolarHBondContact O-CB 3.39Å; E1238-H1242 PolarHBondContact O-N 3.09Å; S1239-H1242 PolarHBondContact O-N 2.91Å; H1242-Q1244 VanDerWaalsContact C-N 3.31Å; H1242-Q1244 PolarHBondContact O-N 3.15Å; H1242-M1245 PolarHBondContact O-N 3.48Å; H1242-M1246 WeakPolarHBondContact O-CG 3.27Å; H1242-M1246 PolarHBondContact O-N 3.3Å |
| 1243 | N | 63.8 | Low | 60.2 | Low | 107 Ų | 107 | 79.4 Ų | 79.4 | 57% | 0.572 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -60 | -39.9 | 174.3 | -96.4 | -13.8 | 0 | 0 | 0 | 112.3 | S1239 E1240 L1241 M1246 N1247 | S1239-N1243 PolarHBondContact O-N 2.82Å; S1239-N1243 VanDerWaalsContact O-N 3.12Å; E1240-N1243 PolarHBondContact O-N 3.43Å; L1241-N1243 VanDerWaalsContact C-N 3.33Å; L1241-N1243 PolarHBondContact O-N 3.42Å; N1243-M1246 PolarHBondContact O-N 3.13Å; N1243-N1247 PolarHBondContact O-N 3.26Å |
| 1244 | Q | 60.4 | Low | 60.2 | Low | 30 Ų | 30 | 75.7 Ų | 75.7 | 14% | 0.14 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -70.9 | -34.8 | 177.3 | -72 | 169.2 | -8.6 | 0 | 0 | 113.2 | T1157 N1161 E1240 L1241 H1242 M1246 N1247 L1248 | T1157-Q1244 HydrophobicContact CG2-CG 4.39Å; N1161-Q1244 PolarHBondContact ND2-NE2 3.3Å; N1161-Q1244 VanDerWaalsContact ND2-NE2 3.13Å; N1161-Q1244 PolarHBondContact ND2-OE1 3.42Å; N1161-Q1244 PolarHBondContact OD1-NE2 3.5Å; N1161-Q1244 PolarHBondContact OD1-OE1 3.44Å; E1240-Q1244 VanDerWaalsContact O-CG 3.28Å; E1240-Q1244 WeakPolarHBondContact O-CG 3.27Å; E1240-Q1244 PolarHBondContact O-N 3.33Å; L1241-Q1244 CarbonylContact O-C 3.5Å; L1241-Q1244 PolarHBondContact O-N 3.01Å; L1241-Q1244 VanDerWaalsContact O-N 3.15Å; H1242-Q1244 VanDerWaalsContact C-N 3.31Å; H1242-Q1244 PolarHBondContact O-N 3.15Å; Q1244-M1246 VanDerWaalsContact C-N 3.32Å; Q1244-N1247 PolarHBondContact O-N 3.47Å; Q1244-L1248 WeakPolarHBondContact O-CB 3.43Å; Q1244-L1248 WeakPolarHBondContact O-CG 3.37Å; Q1244-L1248 PolarHBondContact O-N 3.08Å |
| 1245 | M | 53.7 | Low | 60.3 | Low | 71 Ų | 71 | 74.4 Ų | 74.4 | 35% | 0.35 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -65.5 | -39.3 | 175.6 | -163.2 | 171.7 | 73.3 | 0 | 0 | 110.6 | L1241 H1242 L1248 Q1249 | L1241-M1245 WeakPolarHBondContact O-CB 3.33Å; L1241-M1245 PolarHBondContact O-N 3.19Å; H1242-M1245 PolarHBondContact O-N 3.48Å; M1245-L1248 PolarHBondContact O-N 2.58Å; M1245-Q1249 WeakPolarHBondContact O-CB 3.45Å; M1245-Q1249 WeakPolarHBondContact O-CG 3.09Å; M1245-Q1249 PolarHBondContact O-N 3.31Å |
| 1246 | M | 60.8 | Low | 60.4 | Low | 99 Ų | 99 | 74 Ų | 74 | 49% | 0.488 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -63.2 | -42.5 | 171.3 | -67.4 | -64.3 | -73.5 | 0 | 0 | 111.7 | H1242 N1243 Q1244 Q1249 H1250 | H1242-M1246 WeakPolarHBondContact O-CG 3.27Å; H1242-M1246 PolarHBondContact O-N 3.3Å; N1243-M1246 PolarHBondContact O-N 3.13Å; Q1244-M1246 VanDerWaalsContact C-N 3.32Å; M1246-Q1249 PolarHBondContact O-N 2.91Å; M1246-H1250 WeakPolarHBondContact O-CB 3.32Å; M1246-H1250 PolarHBondContact O-N 2.83Å |
| 1247 | N | 62 | Low | 60.4 | Low | 109 Ų | 109 | 73.7 Ų | 73.7 | 58% | 0.583 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -63.5 | -40.9 | 173.7 | -87.4 | -4 | 0 | 0 | 0 | 112.7 | N1243 Q1244 H1250 V1251 | N1243-N1247 PolarHBondContact O-N 3.26Å; Q1244-N1247 PolarHBondContact O-N 3.47Å; N1247-H1250 WeakPolarHBondContact O-CB 3.26Å; N1247-H1250 PolarHBondContact O-N 3.41Å; N1247-V1251 WeakPolarHBondContact O-CB 3.5Å; N1247-V1251 VanDerWaalsContact O-CG2 3.31Å; N1247-V1251 WeakPolarHBondContact O-CG2 3.48Å; N1247-V1251 PolarHBondContact O-N 3Å |
| 1248 | L | 55.9 | Low | 60.5 | Low | 35 Ų | 35 | 74.5 Ų | 74.5 | 18% | 0.183 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -66.7 | -40.7 | 177.5 | -80.7 | 164 | 0 | 0 | 0 | 112.2 | I1036 I1040 L1158 Q1244 M1245 H1250 V1251 N1252 | I1036-L1248 HydrophobicContact CG2-CD1 4.01Å; I1040-L1248 HydrophobicContact CD1-CD1 4.47Å; I1040-L1248 HydrophobicContact CD1-CD2 3.7Å; I1040-L1248 HydrophobicContact CG1-CD2 4.49Å; L1158-L1248 HydrophobicContact CD1-CD1 3.74Å; Q1244-L1248 WeakPolarHBondContact O-CB 3.43Å; Q1244-L1248 WeakPolarHBondContact O-CG 3.37Å; Q1244-L1248 PolarHBondContact O-N 3.08Å; M1245-L1248 PolarHBondContact O-N 2.58Å; L1248-H1250 VanDerWaalsContact C-N 3.3Å; L1248-H1250 PolarHBondContact O-N 2.83Å; L1248-V1251 PolarHBondContact O-N 3.33Å; L1248-N1252 VanDerWaalsContact O-CB 3.3Å; L1248-N1252 WeakPolarHBondContact O-CB 3.49Å; L1248-N1252 PolarHBondContact O-N 3.01Å |
| 1249 | Q | 61 | Low | 60.5 | Low | 103 Ų | 103 | 71.1 Ų | 71.1 | 48% | 0.481 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -61.8 | -41.4 | 172.7 | -77.3 | 179.7 | -17.9 | 0 | 0 | 111.2 | M1245 M1246 N1252 N1253 | M1245-Q1249 WeakPolarHBondContact O-CB 3.45Å; M1245-Q1249 WeakPolarHBondContact O-CG 3.09Å; M1245-Q1249 PolarHBondContact O-N 3.31Å; M1246-Q1249 PolarHBondContact O-N 2.91Å; Q1249-N1252 PolarHBondContact O-N 3.47Å; Q1249-N1253 PolarHBondContact O-N 3.36Å; Q1249-N1253 PolarHBondContact O-ND2 2.81Å; Q1249-N1253 PolarHBondContact O-OD1 3.45Å |
| 1250 | H | 66.9 | Low | 60.4 | Low | 107 Ų | 107 | 74.9 Ų | 74.9 | 50% | 0.495 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -62.2 | -47.7 | 175.3 | -173.6 | 64.4 | 0 | 0 | 0 | 112.1 | M1246 N1247 L1248 N1252 N1253 Q1254 | M1246-H1250 WeakPolarHBondContact O-CB 3.32Å; M1246-H1250 PolarHBondContact O-N 2.83Å; N1247-H1250 WeakPolarHBondContact O-CB 3.26Å; N1247-H1250 PolarHBondContact O-N 3.41Å; L1248-H1250 VanDerWaalsContact C-N 3.3Å; L1248-H1250 PolarHBondContact O-N 2.83Å; H1250-N1252 PolarHBondContact O-N 2.92Å; H1250-N1253 PolarHBondContact O-N 3.38Å; H1250-Q1254 PolarHBondContact NE2-NE2 3.29Å; H1250-Q1254 WeakPolarHBondContact O-CG 3.17Å; H1250-Q1254 PolarHBondContact O-N 3.5Å |
| 1251 | V | 56.9 | Low | 60.6 | Low | 26 Ų | 26 | 71.9 Ų | 71.9 | 16% | 0.158 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -61 | -43.5 | 176.2 | 165.4 | 0 | 0 | 0 | 0 | 111.8 | L1150 N1247 L1248 N1253 Q1254 L1255 | L1150-V1251 HydrophobicContact CD2-CB 4.37Å; L1150-V1251 HydrophobicContact CD2-CG1 3.85Å; L1150-V1251 HydrophobicContact CD2-CG2 4.16Å; L1150-V1251 HydrophobicContact CG-CG1 4.16Å; L1150-V1251 HydrophobicContact CG-CG2 4.3Å; N1247-V1251 WeakPolarHBondContact O-CB 3.5Å; N1247-V1251 VanDerWaalsContact O-CG2 3.31Å; N1247-V1251 WeakPolarHBondContact O-CG2 3.48Å; N1247-V1251 PolarHBondContact O-N 3Å; L1248-V1251 PolarHBondContact O-N 3.33Å; V1251-N1253 VanDerWaalsContact C-N 3.33Å; V1251-N1253 PolarHBondContact O-N 3.49Å; V1251-Q1254 PolarHBondContact O-N 3.36Å; V1251-L1255 WeakPolarHBondContact O-CB 3.1Å; V1251-L1255 PolarHBondContact O-N 3.49Å |
| 1252 | N | 59.2 | Low | 60.9 | Low | 53 Ų | 53 | 72.4 Ų | 72.4 | 28% | 0.283 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -62.8 | -41.3 | 178 | -178.7 | 75.4 | 0 | 0 | 0 | 111.5 | I1043 L1248 Q1249 H1250 L1255 M1256 | I1043-N1252 WeakPolarHBondContact CD1-OD1 3.04Å; L1248-N1252 VanDerWaalsContact O-CB 3.3Å; L1248-N1252 WeakPolarHBondContact O-CB 3.49Å; L1248-N1252 PolarHBondContact O-N 3.01Å; Q1249-N1252 PolarHBondContact O-N 3.47Å; H1250-N1252 PolarHBondContact O-N 2.92Å; N1252-L1255 PolarHBondContact O-N 2.87Å; N1252-M1256 WeakPolarHBondContact O-CB 3Å; N1252-M1256 VanDerWaalsContact O-CG 3.23Å; N1252-M1256 WeakPolarHBondContact O-CG 3.11Å; N1252-M1256 PolarHBondContact O-N 3.17Å |
| 1253 | N | 63.4 | Low | 60.8 | Low | 93 Ų | 93 | 72.5 Ų | 72.5 | 50% | 0.497 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -64.8 | -46 | 176 | -67.3 | -14.2 | 0 | 0 | 0 | 111.1 | Q1249 H1250 V1251 L1255 M1256 D1257 | Q1249-N1253 PolarHBondContact O-N 3.36Å; Q1249-N1253 PolarHBondContact O-ND2 2.81Å; Q1249-N1253 PolarHBondContact O-OD1 3.45Å; H1250-N1253 PolarHBondContact O-N 3.38Å; V1251-N1253 VanDerWaalsContact C-N 3.33Å; V1251-N1253 PolarHBondContact O-N 3.49Å; N1253-L1255 VanDerWaalsContact C-N 3.32Å; N1253-L1255 PolarHBondContact O-N 2.81Å; N1253-M1256 PolarHBondContact O-N 2.76Å; N1253-D1257 PolarHBondContact O-N 2.88Å |
| 1254 | Q | 64.2 | Low | 60.9 | Low | 81 Ų | 81 | 72.6 Ų | 72.6 | 38% | 0.379 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -59 | -40.6 | 175.2 | -74.6 | -179 | -36.9 | 0 | 0 | 112.8 | H1250 V1251 T1258 | H1250-Q1254 PolarHBondContact NE2-NE2 3.29Å; H1250-Q1254 WeakPolarHBondContact O-CG 3.17Å; H1250-Q1254 PolarHBondContact O-N 3.5Å; V1251-Q1254 PolarHBondContact O-N 3.36Å; Q1254-T1258 WeakPolarHBondContact O-CB 3.48Å; Q1254-T1258 PolarHBondContact O-N 3.3Å; Q1254-T1258 PolarHBondContact O-OG1 2.82Å |
| 1255 | L | 59.7 | Low | 61.1 | Low | 7 Ų | 7 | 72.5 Ų | 72.5 | 4% | 0.037 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -65.1 | -46 | 176.9 | -178.1 | 66.7 | 0 | 0 | 0 | 111.4 | I1043 I1151 V1251 N1252 N1253 D1257 T1258 L1259 | I1043-L1255 HydrophobicContact CG2-CD2 3.41Å; I1043-L1255 VanDerWaalsContact CG2-CD2 3.41Å; I1151-L1255 HydrophobicContact CD1-CD1 4.26Å; I1151-L1255 HydrophobicContact CD1-CD2 3.79Å; I1151-L1255 HydrophobicContact CG1-CD2 4.22Å; V1251-L1255 WeakPolarHBondContact O-CB 3.1Å; V1251-L1255 PolarHBondContact O-N 3.49Å; N1252-L1255 PolarHBondContact O-N 2.87Å; N1253-L1255 VanDerWaalsContact C-N 3.32Å; N1253-L1255 PolarHBondContact O-N 2.81Å; L1255-D1257 VanDerWaalsContact C-N 3.33Å; L1255-D1257 PolarHBondContact O-N 2.89Å; L1255-T1258 PolarHBondContact O-N 2.99Å; L1255-L1259 HydrophobicContact CG-CD1 4.18Å; L1255-L1259 WeakPolarHBondContact O-CG 3.19Å; L1255-L1259 PolarHBondContact O-N 2.76Å |
| 1256 | M | 60 | Low | 61.3 | Low | 77 Ų | 77 | 71.4 Ų | 71.4 | 38% | 0.379 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -63.4 | -38.9 | 178.9 | -70.6 | -65.2 | 170.4 | 0 | 0 | 112.1 | N1252 N1253 L1259 K1260 | N1252-M1256 WeakPolarHBondContact O-CB 3Å; N1252-M1256 VanDerWaalsContact O-CG 3.23Å; N1252-M1256 WeakPolarHBondContact O-CG 3.11Å; N1252-M1256 PolarHBondContact O-N 3.17Å; N1253-M1256 PolarHBondContact O-N 2.76Å; M1256-L1259 PolarHBondContact O-N 2.92Å; M1256-L1259 HydrophobicContact SD-CD1 4.3Å; M1256-K1260 PolarHBondContact O-N 2.94Å |
| 1257 | D | 65.4 | Low | 61.4 | Low | 111 Ų | 111 | 71.9 Ų | 71.9 | 59% | 0.594 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -65.6 | -39.5 | 174.1 | -70 | -21.6 | 0 | 0 | 0 | 111.4 | N1253 L1255 G1261 | N1253-D1257 PolarHBondContact O-N 2.88Å; L1255-D1257 VanDerWaalsContact C-N 3.33Å; L1255-D1257 PolarHBondContact O-N 2.89Å; D1257-G1261 PolarHBondContact O-N 3.45Å |
| 1258 | T | 58.7 | Low | 61.8 | Low | 43 Ų | 43 | 70.4 Ų | 70.4 | 26% | 0.264 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -66.2 | -42.1 | 176.2 | -54.4 | 0 | 0 | 0 | 0 | 111.8 | K1143 S1147 Q1254 L1255 G1261 Q1262 | K1143-T1258 HydrophobicContact CB-CG2 4.26Å; S1147-T1258 WeakPolarHBondContact OG-CG2 3.45Å; Q1254-T1258 WeakPolarHBondContact O-CB 3.48Å; Q1254-T1258 PolarHBondContact O-N 3.3Å; Q1254-T1258 PolarHBondContact O-OG1 2.82Å; L1255-T1258 PolarHBondContact O-N 2.99Å; T1258-G1261 WeakPolarHBondContact O-CA 3.49Å; T1258-G1261 PolarHBondContact O-N 2.8Å; T1258-G1261 VanDerWaalsContact O-N 3.15Å; T1258-Q1262 WeakPolarHBondContact O-CG 3.44Å; T1258-Q1262 PolarHBondContact O-N 3.01Å |
| 1259 | L | 58.8 | Low | 62.2 | Low | 49 Ų | 49 | 69.4 Ų | 69.4 | 26% | 0.257 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -63.4 | -44.9 | 176.9 | -74.5 | 172.2 | 0 | 0 | 0 | 112.1 | L1050 L1255 M1256 G1261 Q1262 E1263 | L1050-L1259 HydrophobicContact CD1-CD2 3.7Å; L1255-L1259 HydrophobicContact CG-CD1 4.18Å; L1255-L1259 WeakPolarHBondContact O-CG 3.19Å; L1255-L1259 PolarHBondContact O-N 2.76Å; M1256-L1259 PolarHBondContact O-N 2.92Å; M1256-L1259 HydrophobicContact SD-CD1 4.3Å; L1259-G1261 VanDerWaalsContact C-N 3.25Å; L1259-G1261 PolarHBondContact O-N 3Å; L1259-Q1262 PolarHBondContact O-N 2.9Å; L1259-Q1262 VanDerWaalsContact O-N 3.16Å; L1259-E1263 PolarHBondContact O-N 3Å; L1259-E1263 VanDerWaalsContact O-N 3.14Å |
| 1260 | K | 62.1 | Low | 62.4 | Low | 149 Ų | 149 | 70.3 Ų | 70.3 | 65% | 0.648 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -59.5 | -38.3 | 171.8 | -88.3 | -177.6 | 173.4 | 179.4 | 0 | 111.8 | M1256 N1264 | M1256-K1260 PolarHBondContact O-N 2.94Å; K1260-N1264 PolarHBondContact O-N 3.34Å; K1260-N1264 PolarHBondContact O-ND2 3.18Å |
| 1261 | G | 64.4 | Low | 62.4 | Low | 26 Ų | 26 | 70.3 Ų | 70.3 | 27% | 0.268 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -61.9 | -41.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | D1257 T1258 L1259 N1264 E1265 | D1257-G1261 PolarHBondContact O-N 3.45Å; T1258-G1261 WeakPolarHBondContact O-CA 3.49Å; T1258-G1261 PolarHBondContact O-N 2.8Å; T1258-G1261 VanDerWaalsContact O-N 3.15Å; L1259-G1261 VanDerWaalsContact C-N 3.25Å; L1259-G1261 PolarHBondContact O-N 3Å; G1261-N1264 PolarHBondContact O-N 2.03Å; G1261-E1265 PolarHBondContact O-N 3.49Å; G1261-E1265 VanDerWaalsContact O-N 3.09Å |
| 1262 | Q | 60 | Low | 63.1 | Low | 35 Ų | 35 | 71.6 Ų | 71.6 | 16% | 0.164 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -66.2 | -39.4 | 179 | -72.9 | -58.7 | -68.1 | 0 | 0 | 113 | T1258 L1259 N1264 E1265 A1266 | T1258-Q1262 WeakPolarHBondContact O-CG 3.44Å; T1258-Q1262 PolarHBondContact O-N 3.01Å; L1259-Q1262 PolarHBondContact O-N 2.9Å; L1259-Q1262 VanDerWaalsContact O-N 3.16Å; Q1262-N1264 VanDerWaalsContact C-N 3.26Å; Q1262-N1264 PolarHBondContact O-N 2.98Å; Q1262-E1265 PolarHBondContact NE2-OE2 3.48Å; Q1262-E1265 PolarHBondContact O-N 2.92Å; Q1262-A1266 WeakPolarHBondContact O-CB 3.31Å; Q1262-A1266 PolarHBondContact O-N 2.88Å |
| 1263 | E | 59.9 | Low | 63.4 | Low | 112 Ų | 112 | 71.2 Ų | 71.2 | 52% | 0.523 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -61 | -38.9 | 177.7 | -164.5 | -170.4 | 151.6 | 0 | 0 | 111.6 | L1259 K1267 | L1259-E1263 PolarHBondContact O-N 3Å; L1259-E1263 VanDerWaalsContact O-N 3.14Å; E1263-K1267 PolarHBondContact O-N 2.72Å; E1263-K1267 IonicContact OE1-NZ 2.95Å; E1263-K1267 PolarHBondContact OE1-NZ 3.45Å |
| 1264 | N | 65.3 | Low | 63.6 | Low | 108 Ų | 108 | 71 Ų | 71 | 58% | 0.578 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -70.4 | -39.1 | 176.7 | -67.7 | -33 | 0 | 0 | 0 | 112.3 | K1260 G1261 Q1262 L1268 | K1260-N1264 PolarHBondContact O-N 3.34Å; K1260-N1264 PolarHBondContact O-ND2 3.18Å; G1261-N1264 PolarHBondContact O-N 2.03Å; Q1262-N1264 VanDerWaalsContact C-N 3.26Å; Q1262-N1264 PolarHBondContact O-N 2.98Å; N1264-L1268 WeakPolarHBondContact O-CB 3.36Å; N1264-L1268 PolarHBondContact O-N 2.83Å |
| 1265 | E | 64.9 | Low | 63.8 | Low | 29 Ų | 29 | 71.2 Ų | 71.2 | 14% | 0.136 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -66.3 | -41.7 | 175.1 | -79.3 | 177 | -178.5 | 0 | 0 | 112 | S1140 K1143 G1261 Q1262 L1268 I1269 | S1140-E1265 WeakPolarHBondContact CA-OE2 3.46Å; S1140-E1265 WeakPolarHBondContact CB-OE2 3.01Å; S1140-E1265 PolarHBondContact OG-OE2 3.42Å; K1143-E1265 IonicContact NZ-OE1 3.46Å; K1143-E1265 PolarHBondContact NZ-OE1 3.3Å; G1261-E1265 PolarHBondContact O-N 3.49Å; G1261-E1265 VanDerWaalsContact O-N 3.09Å; Q1262-E1265 PolarHBondContact NE2-OE2 3.48Å; Q1262-E1265 PolarHBondContact O-N 2.92Å; E1265-L1268 WeakPolarHBondContact O-CB 3.36Å; E1265-L1268 PolarHBondContact O-N 3.26Å; E1265-I1269 WeakPolarHBondContact O-CG1 3.25Å; E1265-I1269 PolarHBondContact O-N 2.72Å |
| 1266 | A | 58.7 | Low | 64.2 | Low | 48 Ų | 48 | 71.1 Ų | 71.1 | 40% | 0.397 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -61.9 | -46 | 179 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q1262 L1268 I1269 E1270 | Q1262-A1266 WeakPolarHBondContact O-CB 3.31Å; Q1262-A1266 PolarHBondContact O-N 2.88Å; A1266-L1268 VanDerWaalsContact C-N 3.29Å; A1266-L1268 PolarHBondContact O-N 3.29Å; A1266-I1269 PolarHBondContact O-N 3.39Å; A1266-E1270 PolarHBondContact O-N 3.37Å; A1266-E1270 VanDerWaalsContact O-N 3.08Å |
| 1267 | K | 62.8 | Low | 64.4 | Low | 109 Ų | 109 | 70.1 Ų | 70.1 | 47% | 0.474 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -61 | -37.2 | 174.2 | -76.8 | 171.8 | 176 | 159.6 | 0 | 112.2 | E1263 L1271 | E1263-K1267 PolarHBondContact O-N 2.72Å; E1263-K1267 IonicContact OE1-NZ 2.95Å; E1263-K1267 PolarHBondContact OE1-NZ 3.45Å; K1267-L1271 PolarHBondContact O-N 3.19Å; K1267-L1271 VanDerWaalsContact O-N 3.15Å |
| 1268 | L | 69.4 | Low | 64.6 | Low | 78 Ų | 78 | 69.5 Ų | 69.5 | 41% | 0.408 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -68.5 | -38.2 | 177 | -176 | 65.8 | 0 | 0 | 0 | 112.3 | L1136 N1264 E1265 A1266 K1272 | L1136-L1268 HydrophobicContact CD1-CD2 4.07Å; L1136-L1268 HydrophobicContact CD1-CG 4.42Å; L1136-L1268 HydrophobicContact CD2-CD2 4.32Å; N1264-L1268 WeakPolarHBondContact O-CB 3.36Å; N1264-L1268 PolarHBondContact O-N 2.83Å; E1265-L1268 WeakPolarHBondContact O-CB 3.36Å; E1265-L1268 PolarHBondContact O-N 3.26Å; A1266-L1268 VanDerWaalsContact C-N 3.29Å; A1266-L1268 PolarHBondContact O-N 3.29Å; L1268-K1272 WeakPolarHBondContact O-CG 3.49Å; L1268-K1272 PolarHBondContact O-N 3.45Å |
| 1269 | I | 63.9 | Low | 65.1 | Low | 13 Ų | 13 | 68.7 Ų | 68.7 | 7% | 0.067 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -63.1 | -45.9 | 176 | -69.9 | 164.5 | 0 | 0 | 0 | 110.2 | L1136 L1137 E1265 A1266 L1271 K1272 F1273 | L1136-I1269 HydrophobicContact CB-CG1 4.39Å; L1137-I1269 HydrophobicContact CD2-CD1 3.98Å; L1137-I1269 HydrophobicContact CG-CD1 4.32Å; E1265-I1269 WeakPolarHBondContact O-CG1 3.25Å; E1265-I1269 PolarHBondContact O-N 2.72Å; A1266-I1269 PolarHBondContact O-N 3.39Å; I1269-L1271 PolarHBondContact O-N 3.11Å; I1269-K1272 PolarHBondContact O-N 2.75Å; I1269-F1273 WeakPolarHBondContact O-CB 3.11Å; I1269-F1273 PolarHBondContact O-N 2.87Å |
| 1270 | E | 64.9 | Low | 65.5 | Low | 122 Ų | 122 | 68 Ų | 68 | 57% | 0.57 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -59.1 | -46.1 | 177.8 | -173.6 | 176.7 | -173.4 | 0 | 0 | 111.9 | A1266 K1272 F1273 N1274 | A1266-E1270 PolarHBondContact O-N 3.37Å; A1266-E1270 VanDerWaalsContact O-N 3.08Å; E1270-K1272 PolarHBondContact O-N 3.18Å; E1270-F1273 PolarHBondContact O-N 3.29Å; E1270-N1274 PolarHBondContact O-N 2.81Å |
| 1271 | L | 68.1 | Low | 65.8 | Low | 107 Ų | 107 | 66.7 Ų | 66.7 | 56% | 0.56 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -64.9 | -42 | 179.9 | -160.3 | 142.9 | 0 | 0 | 0 | 112 | K1267 I1269 F1273 N1274 E1275 | K1267-L1271 PolarHBondContact O-N 3.19Å; K1267-L1271 VanDerWaalsContact O-N 3.15Å; I1269-L1271 PolarHBondContact O-N 3.11Å; L1271-F1273 VanDerWaalsContact C-N 3.35Å; L1271-N1274 PolarHBondContact O-N 3.46Å; L1271-E1275 PolarHBondContact O-N 3.18Å |
| 1272 | K | 70.8 | Confident | 66 | Low | 54 Ų | 54 | 73 Ų | 73 | 24% | 0.235 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -68.3 | -31.2 | 175.7 | -74.6 | -170.3 | 173.6 | -168.2 | 0 | 113.2 | S1132 I1133 L1136 L1268 I1269 E1270 E1275 I1276 | S1132-K1272 PolarHBondContact OG-NZ 2Å; I1133-K1272 HydrophobicContact CD1-CB 3.64Å; I1133-K1272 HydrophobicContact CG1-CB 3.94Å; I1133-K1272 HydrophobicContact CG1-CD 4.09Å; L1136-K1272 HydrophobicContact CD1-CD 3.8Å; L1268-K1272 WeakPolarHBondContact O-CG 3.49Å; L1268-K1272 PolarHBondContact O-N 3.45Å; I1269-K1272 PolarHBondContact O-N 2.75Å; E1270-K1272 PolarHBondContact O-N 3.18Å; K1272-E1275 PolarHBondContact O-N 2.83Å; K1272-I1276 PolarHBondContact O-N 3.47Å |
| 1273 | F | 66 | Low | 66.5 | Low | 44 Ų | 44 | 71.6 Ų | 71.6 | 19% | 0.193 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -64.8 | -43.1 | 177.1 | -176.8 | -104.5 | 0 | 0 | 0 | 111.6 | Y1062 I1269 E1270 L1271 E1275 I1276 N1277 | Y1062-F1273 AromaticContact CD2-CD2 3.66Å; Y1062-F1273 HydrophobicContact CD2-CD2 3.66Å; Y1062-F1273 AromaticContact CD2-CE2 3.74Å; Y1062-F1273 HydrophobicContact CD2-CE2 3.74Å; Y1062-F1273 AromaticContact CE2-CD2 4Å; Y1062-F1273 HydrophobicContact CE2-CD2 4Å; Y1062-F1273 HydrophobicContact CE2-CE2 4.36Å; I1269-F1273 WeakPolarHBondContact O-CB 3.11Å; I1269-F1273 PolarHBondContact O-N 2.87Å; E1270-F1273 PolarHBondContact O-N 3.29Å; L1271-F1273 VanDerWaalsContact C-N 3.35Å; F1273-E1275 VanDerWaalsContact C-N 3.28Å; F1273-E1275 PolarHBondContact O-N 3.31Å; F1273-I1276 PolarHBondContact O-N 2.96Å; F1273-N1277 WeakPolarHBondContact CE1-ND2 3.38Å; F1273-N1277 PolarHBondContact O-N 3.24Å; F1273-N1277 VanDerWaalsContact O-N 3.1Å |
| 1274 | N | 66.8 | Low | 66.8 | Low | 88 Ų | 88 | 70.9 Ų | 70.9 | 47% | 0.471 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.3 | -36.3 | 175.7 | -69.8 | -23.2 | 0 | 0 | 0 | 112.3 | E1270 L1271 I1276 N1277 N1278 | E1270-N1274 PolarHBondContact O-N 2.81Å; L1271-N1274 PolarHBondContact O-N 3.46Å; N1274-I1276 VanDerWaalsContact C-N 3.35Å; N1274-I1276 PolarHBondContact O-N 3.1Å; N1274-N1277 PolarHBondContact O-N 3.43Å; N1274-N1278 PolarHBondContact O-N 3.23Å |
| 1275 | E | 69.8 | Low | 67 | Low | 87 Ų | 87 | 70.1 Ų | 70.1 | 41% | 0.407 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -64.2 | -36.2 | 173.1 | -72 | -172.5 | -164.6 | 0 | 0 | 113.5 | K1129 L1271 K1272 F1273 L1279 | K1129-E1275 IonicContact NZ-OE2 3.63Å; K1129-E1275 PolarHBondContact NZ-OE2 3.47Å; L1271-E1275 PolarHBondContact O-N 3.18Å; K1272-E1275 PolarHBondContact O-N 2.83Å; F1273-E1275 VanDerWaalsContact C-N 3.28Å; F1273-E1275 PolarHBondContact O-N 3.31Å; E1275-L1279 PolarHBondContact O-N 3.37Å; E1275-L1279 VanDerWaalsContact O-N 3.14Å |
| 1276 | I | 66.8 | Low | 67.1 | Low | 4 Ų | 4 | 69.6 Ų | 69.6 | 2% | 0.021 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -68.5 | -43.7 | 177.5 | -71.4 | -172.1 | 0 | 0 | 0 | 110.7 | L1069 L1126 K1129 V1130 I1133 K1272 F1273 N1274 N1278 L1279 L1280 | L1069-I1276 HydrophobicContact CD2-CG2 3.59Å; L1126-I1276 HydrophobicContact CD1-CG2 4.38Å; K1129-I1276 HydrophobicContact CB-CD1 4.43Å; K1129-I1276 HydrophobicContact CB-CG1 4.27Å; V1130-I1276 HydrophobicContact CG2-CD1 4.17Å; I1133-I1276 HydrophobicContact CD1-CD1 3.31Å; I1133-I1276 HydrophobicContact CD1-CG1 4.06Å; I1133-I1276 HydrophobicContact CG1-CD1 4.2Å; K1272-I1276 PolarHBondContact O-N 3.47Å; F1273-I1276 PolarHBondContact O-N 2.96Å; N1274-I1276 VanDerWaalsContact C-N 3.35Å; N1274-I1276 PolarHBondContact O-N 3.1Å; I1276-N1278 VanDerWaalsContact C-N 3.3Å; I1276-N1278 PolarHBondContact O-N 3.27Å; I1276-L1279 PolarHBondContact O-N 3.38Å; I1276-L1279 VanDerWaalsContact O-N 3.09Å; I1276-L1280 VanDerWaalsContact O-CB 3.32Å; I1276-L1280 WeakPolarHBondContact O-CB 3.36Å; I1276-L1280 PolarHBondContact O-N 2.91Å |
| 1277 | N | 65.8 | Low | 67.6 | Low | 57 Ų | 57 | 68.5 Ų | 68.5 | 31% | 0.305 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -59 | -43.1 | 179.2 | -72.8 | -25.1 | 0 | 0 | 0 | 111.7 | F1273 N1274 L1279 L1280 E1281 | F1273-N1277 WeakPolarHBondContact CE1-ND2 3.38Å; F1273-N1277 PolarHBondContact O-N 3.24Å; F1273-N1277 VanDerWaalsContact O-N 3.1Å; N1274-N1277 PolarHBondContact O-N 3.43Å; N1277-L1279 PolarHBondContact O-N 3.26Å; N1277-L1280 WeakPolarHBondContact O-CB 3.17Å; N1277-L1280 PolarHBondContact O-N 3.18Å; N1277-E1281 PolarHBondContact O-N 3.36Å |
| 1278 | N | 69.8 | Low | 67.9 | Low | 98 Ų | 98 | 67.8 Ų | 67.8 | 52% | 0.524 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64.5 | -38.7 | 174.9 | -75.7 | -12.9 | 0 | 0 | 0 | 112.7 | N1274 I1276 R1282 | N1274-N1278 PolarHBondContact O-N 3.23Å; I1276-N1278 VanDerWaalsContact C-N 3.3Å; I1276-N1278 PolarHBondContact O-N 3.27Å; N1278-R1282 VanDerWaalsContact O-CG 3.31Å; N1278-R1282 WeakPolarHBondContact O-CG 3.45Å; N1278-R1282 PolarHBondContact O-N 2.9Å |
| 1279 | L | 67.9 | Low | 67.7 | Low | 26 Ų | 26 | 69 Ų | 69 | 14% | 0.136 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -69.9 | -36.6 | 177.2 | -135.5 | 111.9 | 0 | 0 | 0 | 111.5 | Q1125 L1126 K1129 E1275 I1276 N1277 R1282 V1283 | Q1125-L1279 HydrophobicContact CB-CD2 4.43Å; L1126-L1279 HydrophobicContact CB-CD2 3.88Å; L1126-L1279 HydrophobicContact CD1-CB 4.24Å; L1126-L1279 HydrophobicContact CD1-CD2 3.87Å; L1126-L1279 HydrophobicContact CG-CD2 4.46Å; K1129-L1279 HydrophobicContact CD-CD1 4.19Å; E1275-L1279 PolarHBondContact O-N 3.37Å; E1275-L1279 VanDerWaalsContact O-N 3.14Å; I1276-L1279 PolarHBondContact O-N 3.38Å; I1276-L1279 VanDerWaalsContact O-N 3.09Å; N1277-L1279 PolarHBondContact O-N 3.26Å; L1279-R1282 PolarHBondContact O-N 3.21Å; L1279-V1283 WeakPolarHBondContact O-CG2 3.46Å; L1279-V1283 PolarHBondContact O-N 3.07Å |
| 1280 | L | 66.6 | Low | 67.9 | Low | 34 Ų | 34 | 68.7 Ų | 68.7 | 18% | 0.178 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -63.1 | -48.4 | 177.7 | 175.2 | 58.6 | 0 | 0 | 0 | 111.2 | L1069 I1276 N1277 R1282 V1283 M1284 | L1069-L1280 HydrophobicContact CD1-CB 4.33Å; L1069-L1280 HydrophobicContact CD1-CD1 3.44Å; L1069-L1280 VanDerWaalsContact CD1-CD1 3.44Å; L1069-L1280 HydrophobicContact CD1-CD2 4.13Å; L1069-L1280 HydrophobicContact CD1-CG 4.15Å; I1276-L1280 VanDerWaalsContact O-CB 3.32Å; I1276-L1280 WeakPolarHBondContact O-CB 3.36Å; I1276-L1280 PolarHBondContact O-N 2.91Å; N1277-L1280 WeakPolarHBondContact O-CB 3.17Å; N1277-L1280 PolarHBondContact O-N 3.18Å; L1280-R1282 PolarHBondContact O-N 3.45Å; L1280-V1283 PolarHBondContact O-N 3.04Å; L1280-V1283 VanDerWaalsContact O-N 3.08Å; L1280-M1284 HydrophobicContact CD1-CE 3.67Å; L1280-M1284 HydrophobicContact CD1-CG 4.14Å; L1280-M1284 HydrophobicContact CD2-CE 3.79Å; L1280-M1284 HydrophobicContact CG-CE 3.63Å; L1280-M1284 HydrophobicContact CG-CG 4.48Å; L1280-M1284 WeakPolarHBondContact O-CG 3.35Å; L1280-M1284 PolarHBondContact O-N 3.47Å |
| 1281 | E | 69.3 | Low | 67.8 | Low | 121 Ų | 121 | 68.2 Ų | 68.2 | 57% | 0.565 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -58 | -41.3 | 177.4 | -169.9 | 176.8 | -173.7 | 0 | 0 | 111.1 | N1277 M1284 N1285 | N1277-E1281 PolarHBondContact O-N 3.36Å; E1281-M1284 PolarHBondContact O-N 3.48Å; E1281-N1285 WeakPolarHBondContact O-CB 3.45Å; E1281-N1285 VanDerWaalsContact O-CG 3.27Å; E1281-N1285 PolarHBondContact O-N 3.34Å; E1281-N1285 PolarHBondContact O-ND2 3.19Å |
| 1282 | R | 69.6 | Low | 67.8 | Low | 159 Ų | 159 | 67.4 Ų | 67.4 | 60% | 0.6 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -64.3 | -40.1 | 174.7 | -68.8 | 173.5 | -178.7 | -164.6 | 0.1 | 112.8 | N1278 L1279 L1280 A1286 | N1278-R1282 VanDerWaalsContact O-CG 3.31Å; N1278-R1282 WeakPolarHBondContact O-CG 3.45Å; N1278-R1282 PolarHBondContact O-N 2.9Å; L1279-R1282 PolarHBondContact O-N 3.21Å; L1280-R1282 PolarHBondContact O-N 3.45Å; R1282-A1286 WeakPolarHBondContact O-CB 3.18Å; R1282-A1286 PolarHBondContact O-N 3.32Å |
| 1283 | V | 70.2 | Confident | 67.7 | Low | 6 Ų | 6 | 65.9 Ų | 65.9 | 4% | 0.036 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -67.8 | -41 | 175.8 | 169.8 | 0 | 0 | 0 | 0 | 111.1 | I1077 R1122 L1126 L1279 L1280 N1285 A1286 I1287 | I1077-V1283 HydrophobicContact CD1-CG1 3.78Å; R1122-V1283 HydrophobicContact CB-CG2 4.23Å; L1126-V1283 HydrophobicContact CD2-CG2 4.17Å; L1279-V1283 WeakPolarHBondContact O-CG2 3.46Å; L1279-V1283 PolarHBondContact O-N 3.07Å; L1280-V1283 PolarHBondContact O-N 3.04Å; L1280-V1283 VanDerWaalsContact O-N 3.08Å; V1283-N1285 VanDerWaalsContact C-N 3.34Å; V1283-N1285 PolarHBondContact O-N 3.17Å; V1283-A1286 PolarHBondContact O-N 3.29Å; V1283-I1287 HydrophobicContact CG1-CD1 3.87Å; V1283-I1287 HydrophobicContact CG1-CG1 4.42Å; V1283-I1287 VanDerWaalsContact O-CG1 3.29Å; V1283-I1287 WeakPolarHBondContact O-CG1 3.03Å; V1283-I1287 PolarHBondContact O-N 3.07Å |
| 1284 | M | 65.4 | Low | 67.9 | Low | 97 Ų | 97 | 64 Ų | 64 | 48% | 0.478 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -63.1 | -41.2 | 175.9 | -66.7 | -151.8 | -152.6 | 0 | 0 | 111.9 | L1280 E1281 I1287 N1288 | L1280-M1284 HydrophobicContact CD1-CE 3.67Å; L1280-M1284 HydrophobicContact CD1-CG 4.14Å; L1280-M1284 HydrophobicContact CD2-CE 3.79Å; L1280-M1284 HydrophobicContact CG-CE 3.63Å; L1280-M1284 HydrophobicContact CG-CG 4.48Å; L1280-M1284 WeakPolarHBondContact O-CG 3.35Å; L1280-M1284 PolarHBondContact O-N 3.47Å; E1281-M1284 PolarHBondContact O-N 3.48Å; M1284-I1287 PolarHBondContact O-N 3.07Å; M1284-N1288 PolarHBondContact O-N 2.84Å |
| 1285 | N | 69.7 | Low | 68.1 | Low | 91 Ų | 91 | 63.1 Ų | 63.1 | 49% | 0.487 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -64.4 | -43.3 | 175.1 | -71.6 | -19 | 0 | 0 | 0 | 111.6 | E1281 V1283 I1287 N1288 M1289 | E1281-N1285 WeakPolarHBondContact O-CB 3.45Å; E1281-N1285 VanDerWaalsContact O-CG 3.27Å; E1281-N1285 PolarHBondContact O-N 3.34Å; E1281-N1285 PolarHBondContact O-ND2 3.19Å; V1283-N1285 VanDerWaalsContact C-N 3.34Å; V1283-N1285 PolarHBondContact O-N 3.17Å; N1285-I1287 VanDerWaalsContact C-N 3.34Å; N1285-I1287 PolarHBondContact O-N 2.93Å; N1285-N1288 PolarHBondContact O-N 3.22Å; N1285-M1289 WeakPolarHBondContact O-CG 3.45Å; N1285-M1289 PolarHBondContact O-N 3.21Å |
| 1286 | A | 67.4 | Low | 68 | Low | 19 Ų | 19 | 62.6 Ų | 62.6 | 16% | 0.157 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.4 | -40.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L1119 R1282 V1283 M1289 S1290 | L1119-A1286 HydrophobicContact CD1-CB 4.43Å; R1282-A1286 WeakPolarHBondContact O-CB 3.18Å; R1282-A1286 PolarHBondContact O-N 3.32Å; V1283-A1286 PolarHBondContact O-N 3.29Å; A1286-M1289 PolarHBondContact O-N 3.13Å; A1286-S1290 WeakPolarHBondContact O-CB 3.5Å; A1286-S1290 PolarHBondContact O-N 2.61Å; A1286-S1290 PolarHBondContact O-OG 3.49Å |
| 1287 | I | 68 | Low | 68.1 | Low | 24 Ų | 24 | 62.5 Ų | 62.5 | 12% | 0.123 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.1 | -45.8 | 175.9 | -73.4 | 167.5 | 0 | 0 | 0 | 111.1 | I1077 L1080 L1119 V1283 M1284 N1285 S1290 W1291 | I1077-I1287 HydrophobicContact CD1-CD1 4.33Å; I1077-I1287 HydrophobicContact CG1-CD1 3.83Å; I1077-I1287 HydrophobicContact CG1-CG1 4.44Å; L1080-I1287 HydrophobicContact CD1-CG2 3.76Å; L1119-I1287 HydrophobicContact CD1-CG1 3.96Å; V1283-I1287 HydrophobicContact CG1-CD1 3.87Å; V1283-I1287 HydrophobicContact CG1-CG1 4.42Å; V1283-I1287 VanDerWaalsContact O-CG1 3.29Å; V1283-I1287 WeakPolarHBondContact O-CG1 3.03Å; V1283-I1287 PolarHBondContact O-N 3.07Å; M1284-I1287 PolarHBondContact O-N 3.07Å; N1285-I1287 VanDerWaalsContact C-N 3.34Å; N1285-I1287 PolarHBondContact O-N 2.93Å; I1287-S1290 WeakPolarHBondContact O-CB 3.46Å; I1287-S1290 PolarHBondContact O-N 3.47Å; I1287-W1291 PolarHBondContact O-N 2.79Å |
| 1288 | N | 69.6 | Low | 68.1 | Low | 94 Ų | 94 | 63.2 Ų | 63.2 | 50% | 0.503 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -63.2 | -44.1 | 178.5 | -79.2 | -20.3 | 0 | 0 | 0 | 111.9 | M1284 N1285 S1290 W1291 I1292 | M1284-N1288 PolarHBondContact O-N 2.84Å; N1285-N1288 PolarHBondContact O-N 3.22Å; N1288-S1290 VanDerWaalsContact C-N 3.28Å; N1288-S1290 PolarHBondContact O-N 2.92Å; N1288-W1291 WeakPolarHBondContact O-CB 3.38Å; N1288-W1291 PolarHBondContact O-N 2.92Å; N1288-I1292 WeakPolarHBondContact O-CG1 3.33Å; N1288-I1292 PolarHBondContact O-N 2.95Å; N1288-I1292 VanDerWaalsContact O-N 3.11Å |
| 1289 | M | 64.9 | Low | 68 | Low | 104 Ų | 104 | 62.4 Ų | 62.4 | 51% | 0.512 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.5 | -38 | 173.7 | -68.9 | -55.2 | -60.6 | 0 | 0 | 111.6 | N1285 A1286 W1291 I1292 T1293 | N1285-M1289 WeakPolarHBondContact O-CG 3.45Å; N1285-M1289 PolarHBondContact O-N 3.21Å; A1286-M1289 PolarHBondContact O-N 3.13Å; M1289-W1291 PolarHBondContact O-N 3.26Å; M1289-I1292 PolarHBondContact O-N 3.23Å; M1289-I1292 HydrophobicContact SD-CD1 4.28Å; M1289-T1293 PolarHBondContact O-N 3.42Å; M1289-T1293 PolarHBondContact O-OG1 3.32Å; M1289-T1293 VanDerWaalsContact O-OG1 3.1Å |
| 1290 | S | 69.1 | Low | 67.9 | Low | 7 Ų | 7 | 64.6 Ų | 64.6 | 5% | 0.049 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.3 | -43.6 | 174.9 | -54 | 0 | 0 | 0 | 0 | 112.4 | L1115 A1286 I1287 N1288 T1293 V1294 | L1115-S1290 WeakPolarHBondContact CD2-OG 3.49Å; A1286-S1290 WeakPolarHBondContact O-CB 3.5Å; A1286-S1290 PolarHBondContact O-N 2.61Å; A1286-S1290 PolarHBondContact O-OG 3.49Å; I1287-S1290 WeakPolarHBondContact O-CB 3.46Å; I1287-S1290 PolarHBondContact O-N 3.47Å; N1288-S1290 VanDerWaalsContact C-N 3.28Å; N1288-S1290 PolarHBondContact O-N 2.92Å; S1290-T1293 PolarHBondContact O-N 3.15Å; S1290-V1294 WeakPolarHBondContact O-CB 3.32Å; S1290-V1294 WeakPolarHBondContact O-CG2 3.33Å; S1290-V1294 PolarHBondContact O-N 2.85Å |
| 1291 | W | 61.9 | Low | 67.9 | Low | 112 Ų | 112 | 63.8 Ų | 63.8 | 42% | 0.424 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -60 | -46.2 | 174.4 | -89.8 | 103.3 | 0 | 0 | 0 | 112.2 | I1287 N1288 M1289 V1294 D1295 | I1287-W1291 PolarHBondContact O-N 2.79Å; N1288-W1291 WeakPolarHBondContact O-CB 3.38Å; N1288-W1291 PolarHBondContact O-N 2.92Å; M1289-W1291 PolarHBondContact O-N 3.26Å; W1291-V1294 PolarHBondContact O-N 3.28Å; W1291-D1295 WeakPolarHBondContact O-CB 3.07Å; W1291-D1295 PolarHBondContact O-N 3.39Å |
| 1292 | I | 69.6 | Low | 67.8 | Low | 89 Ų | 89 | 63.7 Ų | 63.7 | 46% | 0.456 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.3 | -45.6 | -179.8 | -66.2 | 166.2 | 0 | 0 | 0 | 111 | N1288 M1289 D1295 N1296 | N1288-I1292 WeakPolarHBondContact O-CG1 3.33Å; N1288-I1292 PolarHBondContact O-N 2.95Å; N1288-I1292 VanDerWaalsContact O-N 3.11Å; M1289-I1292 PolarHBondContact O-N 3.23Å; M1289-I1292 HydrophobicContact SD-CD1 4.28Å; I1292-D1295 PolarHBondContact O-N 2.92Å; I1292-N1296 WeakPolarHBondContact O-CB 3.49Å; I1292-N1296 VanDerWaalsContact O-CG 3.23Å; I1292-N1296 PolarHBondContact O-N 2.93Å; I1292-N1296 PolarHBondContact O-ND2 3.4Å |
| 1293 | T | 68.5 | Low | 67.4 | Low | 22 Ų | 22 | 62.9 Ų | 62.9 | 14% | 0.135 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -66.2 | -42.1 | 179.3 | -53.5 | 0 | 0 | 0 | 0 | 111.9 | L1112 M1289 S1290 D1295 N1296 A1297 | L1112-T1293 HydrophobicContact CD1-CG2 4.01Å; M1289-T1293 PolarHBondContact O-N 3.42Å; M1289-T1293 PolarHBondContact O-OG1 3.32Å; M1289-T1293 VanDerWaalsContact O-OG1 3.1Å; S1290-T1293 PolarHBondContact O-N 3.15Å; T1293-D1295 VanDerWaalsContact C-N 3.33Å; T1293-D1295 PolarHBondContact O-N 2.95Å; T1293-N1296 PolarHBondContact O-N 3.05Å; T1293-A1297 WeakPolarHBondContact O-CB 3.48Å; T1293-A1297 PolarHBondContact O-N 3.47Å |
| 1294 | V | 69.6 | Low | 66.9 | Low | 4 Ų | 4 | 64.6 Ų | 64.6 | 2% | 0.024 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.1 | -41.6 | 174.8 | 169.1 | 0 | 0 | 0 | 0 | 111.2 | A1085 V1088 L1112 S1290 W1291 R1298 | A1085-V1294 HydrophobicContact CB-CG2 4.32Å; V1088-V1294 HydrophobicContact CG2-CG1 4.05Å; L1112-V1294 HydrophobicContact CD1-CG2 3.9Å; S1290-V1294 WeakPolarHBondContact O-CB 3.32Å; S1290-V1294 WeakPolarHBondContact O-CG2 3.33Å; S1290-V1294 PolarHBondContact O-N 2.85Å; W1291-V1294 PolarHBondContact O-N 3.28Å; V1294-R1298 VanDerWaalsContact O-CB 3.29Å; V1294-R1298 WeakPolarHBondContact O-CB 3.29Å; V1294-R1298 PolarHBondContact O-N 3.47Å |
| 1295 | D | 70.7 | Confident | 66.4 | Low | 71 Ų | 71 | 65.4 Ų | 65.4 | 38% | 0.38 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -71.1 | -40.9 | -179 | -144.8 | 41.1 | 0 | 0 | 0 | 111.5 | W1291 I1292 T1293 A1297 R1298 I1299 | W1291-D1295 WeakPolarHBondContact O-CB 3.07Å; W1291-D1295 PolarHBondContact O-N 3.39Å; I1292-D1295 PolarHBondContact O-N 2.92Å; T1293-D1295 VanDerWaalsContact C-N 3.33Å; T1293-D1295 PolarHBondContact O-N 2.95Å; D1295-A1297 PolarHBondContact O-N 3.01Å; D1295-R1298 WeakPolarHBondContact O-CB 3.31Å; D1295-R1298 PolarHBondContact O-N 3.03Å; D1295-R1298 IonicContact OD1-NH1 3.35Å; D1295-I1299 WeakPolarHBondContact O-CB 3.43Å; D1295-I1299 VanDerWaalsContact O-CG1 3.23Å; D1295-I1299 WeakPolarHBondContact O-CG1 3.39Å; D1295-I1299 PolarHBondContact O-N 2.92Å |
| 1296 | N | 68.9 | Low | 65.7 | Low | 76 Ų | 76 | 63 Ų | 63 | 41% | 0.406 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -60.4 | -46.3 | 173.2 | -73.5 | -27.4 | 0 | 0 | 0 | 112 | I1292 T1293 R1298 I1299 W1300 | I1292-N1296 WeakPolarHBondContact O-CB 3.49Å; I1292-N1296 VanDerWaalsContact O-CG 3.23Å; I1292-N1296 PolarHBondContact O-N 2.93Å; I1292-N1296 PolarHBondContact O-ND2 3.4Å; T1293-N1296 PolarHBondContact O-N 3.05Å; N1296-R1298 VanDerWaalsContact C-N 3.31Å; N1296-R1298 PolarHBondContact O-N 2.88Å; N1296-I1299 PolarHBondContact O-N 3.39Å; N1296-W1300 PolarHBondContact O-N 2.83Å |
| 1297 | A | 67.6 | Low | 64.7 | Low | 2 Ų | 2 | 67.9 Ų | 67.9 | 2% | 0.017 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62 | -39.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | V1088 L1092 L1112 T1293 D1295 W1300 L1301 | V1088-A1297 HydrophobicContact CG1-CB 3.9Å; L1092-A1297 HydrophobicContact CD1-CB 3.91Å; L1112-A1297 HydrophobicContact CD1-CB 4.45Å; T1293-A1297 WeakPolarHBondContact O-CB 3.48Å; T1293-A1297 PolarHBondContact O-N 3.47Å; D1295-A1297 PolarHBondContact O-N 3.01Å; A1297-W1300 PolarHBondContact O-N 3.4Å; A1297-L1301 WeakPolarHBondContact O-CB 3.17Å; A1297-L1301 PolarHBondContact O-N 2.9Å |
| 1298 | R | 65.9 | Low | 63.7 | Low | 72 Ų | 72 | 71.5 Ų | 71.5 | 27% | 0.272 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -65.6 | -45.9 | 176.2 | -175.6 | -176 | -61.7 | 167 | -0.7 | 112.4 | V1294 D1295 N1296 W1300 L1301 H1302 | V1294-R1298 VanDerWaalsContact O-CB 3.29Å; V1294-R1298 WeakPolarHBondContact O-CB 3.29Å; V1294-R1298 PolarHBondContact O-N 3.47Å; D1295-R1298 WeakPolarHBondContact O-CB 3.31Å; D1295-R1298 PolarHBondContact O-N 3.03Å; D1295-R1298 IonicContact OD1-NH1 3.35Å; N1296-R1298 VanDerWaalsContact C-N 3.31Å; N1296-R1298 PolarHBondContact O-N 2.88Å; R1298-W1300 VanDerWaalsContact C-N 3.26Å; R1298-W1300 PolarHBondContact O-N 3.21Å; R1298-L1301 PolarHBondContact O-N 2.81Å; R1298-H1302 PolarHBondContact O-N 2.93Å |
| 1299 | I | 68.4 | Low | 62.6 | Low | 80 Ų | 80 | 73.3 Ų | 73.3 | 41% | 0.41 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -59.6 | -41.2 | 176.2 | -69.9 | 163.6 | 0 | 0 | 0 | 110 | D1295 N1296 H1302 K1303 | D1295-I1299 WeakPolarHBondContact O-CB 3.43Å; D1295-I1299 VanDerWaalsContact O-CG1 3.23Å; D1295-I1299 WeakPolarHBondContact O-CG1 3.39Å; D1295-I1299 PolarHBondContact O-N 2.92Å; N1296-I1299 PolarHBondContact O-N 3.39Å; I1299-H1302 PolarHBondContact O-N 2.81Å; I1299-K1303 WeakPolarHBondContact O-CG 3.38Å; I1299-K1303 PolarHBondContact O-N 2.92Å |
| 1300 | W | 65.3 | Low | 61.6 | Low | 72 Ų | 72 | 73.9 Ų | 73.9 | 27% | 0.273 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -69 | -42.6 | 178.2 | -129.9 | 97.2 | 0 | 0 | 0 | 112.8 | I1104 L1105 Y1108 N1296 A1297 R1298 H1302 K1303 L1304 | I1104-W1300 HydrophobicContact CD1-CZ2 4.32Å; I1104-W1300 HydrophobicContact CG2-CH2 4.39Å; I1104-W1300 HydrophobicContact CG2-CZ2 4.12Å; L1105-W1300 HydrophobicContact CD2-CE3 4.33Å; Y1108-W1300 HydrophobicContact CE2-CG 4.35Å; N1296-W1300 PolarHBondContact O-N 2.83Å; A1297-W1300 PolarHBondContact O-N 3.4Å; R1298-W1300 VanDerWaalsContact C-N 3.26Å; R1298-W1300 PolarHBondContact O-N 3.21Å; W1300-H1302 VanDerWaalsContact C-N 3.28Å; W1300-H1302 PolarHBondContact O-N 3.1Å; W1300-K1303 PolarHBondContact O-N 3.06Å; W1300-K1303 VanDerWaalsContact O-N 3.13Å; W1300-L1304 HydrophobicContact CE3-CD1 3.56Å; W1300-L1304 HydrophobicContact CE3-CD2 4.33Å; W1300-L1304 HydrophobicContact CE3-CG 3.61Å; W1300-L1304 HydrophobicContact CZ3-CD1 3.57Å; W1300-L1304 HydrophobicContact CZ3-CD2 3.7Å; W1300-L1304 HydrophobicContact CZ3-CG 3.5Å; W1300-L1304 PolarHBondContact O-N 2.95Å |
| 1301 | L | 67.1 | Low | 60.3 | Low | 17 Ų | 17 | 77.5 Ų | 77.5 | 9% | 0.089 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -55.3 | -44.2 | 171.5 | -109.9 | 153.5 | 0 | 0 | 0 | 111.3 | V1088 N1091 L1092 A1297 R1298 L1304 E1305 | V1088-L1301 HydrophobicContact CG1-CD1 4.34Å; N1091-L1301 HydrophobicContact CB-CD1 4.05Å; N1091-L1301 HydrophobicContact CB-CD2 4.36Å; L1092-L1301 HydrophobicContact CD1-CD1 3.81Å; L1092-L1301 HydrophobicContact CG-CD1 4.19Å; A1297-L1301 WeakPolarHBondContact O-CB 3.17Å; A1297-L1301 PolarHBondContact O-N 2.9Å; R1298-L1301 PolarHBondContact O-N 2.81Å; L1301-L1304 PolarHBondContact O-N 2.95Å; L1301-E1305 PolarHBondContact O-N 2.95Å |
| 1302 | H | 66.8 | Low | 59.4 | Low | 120 Ų | 120 | 76 Ų | 76 | 56% | 0.556 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -65.1 | -38.8 | 175.6 | -92.2 | -54 | 0 | 0 | 0 | 113.3 | R1298 I1299 W1300 L1304 E1305 G1306 | R1298-H1302 PolarHBondContact O-N 2.93Å; I1299-H1302 PolarHBondContact O-N 2.81Å; W1300-H1302 VanDerWaalsContact C-N 3.28Å; W1300-H1302 PolarHBondContact O-N 3.1Å; H1302-L1304 VanDerWaalsContact C-N 3.33Å; H1302-E1305 IonicContact ND1-OE2 2.69Å; H1302-G1306 PolarHBondContact O-N 2.8Å |
| 1303 | K | 61.2 | Low | 58.3 | Low | 142 Ų | 142 | 75.8 Ų | 75.8 | 62% | 0.617 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -63.7 | -39.6 | 174.7 | -75.5 | 179.5 | 179.7 | -176.3 | 0 | 111.6 | I1299 W1300 G1306 F1307 | I1299-K1303 WeakPolarHBondContact O-CG 3.38Å; I1299-K1303 PolarHBondContact O-N 2.92Å; W1300-K1303 PolarHBondContact O-N 3.06Å; W1300-K1303 VanDerWaalsContact O-N 3.13Å; K1303-G1306 PolarHBondContact O-N 2.86Å; K1303-F1307 PolarHBondContact O-N 2.85Å |
| 1304 | L | 60.4 | Low | 56.8 | Low | 41 Ų | 41 | 78.9 Ų | 78.9 | 22% | 0.215 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -67.7 | -46.4 | 175.4 | -80.7 | 172.9 | 0 | 0 | 0 | 112.6 | T1095 L1105 W1300 L1301 H1302 G1306 F1307 D1308 | T1095-L1304 HydrophobicContact CG2-CD1 4.35Å; L1105-L1304 HydrophobicContact CD1-CD1 3.79Å; L1105-L1304 HydrophobicContact CD2-CD1 3.61Å; L1105-L1304 HydrophobicContact CG-CD1 4.02Å; W1300-L1304 HydrophobicContact CE3-CD1 3.56Å; W1300-L1304 HydrophobicContact CE3-CD2 4.33Å; W1300-L1304 HydrophobicContact CE3-CG 3.61Å; W1300-L1304 HydrophobicContact CZ3-CD1 3.57Å; W1300-L1304 HydrophobicContact CZ3-CD2 3.7Å; W1300-L1304 HydrophobicContact CZ3-CG 3.5Å; W1300-L1304 PolarHBondContact O-N 2.95Å; L1301-L1304 PolarHBondContact O-N 2.95Å; H1302-L1304 VanDerWaalsContact C-N 3.33Å; L1304-G1306 PolarHBondContact O-N 2.78Å; L1304-F1307 PolarHBondContact O-N 3.2Å; L1304-D1308 WeakPolarHBondContact O-CB 3.49Å; L1304-D1308 PolarHBondContact O-N 2.8Å |
| 1305 | E | 54 | Low | 55.1 | Low | 115 Ų | 115 | 87.2 Ų | 87.2 | 54% | 0.537 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -57.4 | -35.8 | 173 | -78.1 | -175.7 | 161.8 | 0 | 0 | 111.2 | L1301 H1302 K1309 | L1301-E1305 PolarHBondContact O-N 2.95Å; H1302-E1305 IonicContact ND1-OE2 2.69Å; E1305-K1309 VanDerWaalsContact O-CB 3.28Å; E1305-K1309 WeakPolarHBondContact O-CB 3.23Å; E1305-K1309 PolarHBondContact O-N 3.27Å |
| 1306 | G | 54.2 | Low | 53.7 | Low | 40 Ų | 40 | 90.6 Ų | 90.6 | 41% | 0.412 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -66 | -43.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | H1302 K1303 L1304 H1310 | H1302-G1306 PolarHBondContact O-N 2.8Å; K1303-G1306 PolarHBondContact O-N 2.86Å; L1304-G1306 PolarHBondContact O-N 2.78Å; G1306-H1310 VanDerWaalsContact O-CB 3.29Å; G1306-H1310 WeakPolarHBondContact O-CB 3.46Å; G1306-H1310 PolarHBondContact O-N 3.23Å |
| 1307 | F | 46.5 | Very low | 52 | Low | 122 Ų | 122 | 91.7 Ų | 91.7 | 54% | 0.535 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -70.6 | -40.6 | 178.4 | -173.9 | -101.3 | 0 | 0 | 0 | 112.4 | K1303 L1304 H1310 I1311 | K1303-F1307 PolarHBondContact O-N 2.85Å; L1304-F1307 PolarHBondContact O-N 3.2Å; F1307-H1310 CarbonylContact O-C 3.5Å; F1307-H1310 WeakPolarHBondContact O-CA 3.48Å; F1307-H1310 VanDerWaalsContact O-CB 3.29Å; F1307-H1310 WeakPolarHBondContact O-CB 3.13Å; F1307-H1310 PolarHBondContact O-N 3.38Å; F1307-I1311 HydrophobicContact CD1-CG1 4.02Å; F1307-I1311 HydrophobicContact CE1-CD1 3.84Å; F1307-I1311 HydrophobicContact CE1-CG1 3.72Å; F1307-I1311 HydrophobicContact CZ-CD1 3.86Å; F1307-I1311 HydrophobicContact CZ-CG1 4.08Å; F1307-I1311 VanDerWaalsContact O-CG1 3.26Å; F1307-I1311 WeakPolarHBondContact O-CG1 3.43Å; F1307-I1311 PolarHBondContact O-N 3.46Å |
| 1308 | D | 48.2 | Very low | 50.3 | Low | 99 Ų | 99 | 98.9 Ų | 98.9 | 53% | 0.529 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -68.2 | -40.2 | 178 | -154 | 39.7 | 0 | 0 | 0 | 110.5 | L1304 H1310 I1311 I1312 | L1304-D1308 WeakPolarHBondContact O-CB 3.49Å; L1304-D1308 PolarHBondContact O-N 2.8Å; D1308-H1310 VanDerWaalsContact C-N 3.3Å; D1308-H1310 PolarHBondContact O-N 3.01Å; D1308-I1311 PolarHBondContact O-N 2.95Å; D1308-I1312 WeakPolarHBondContact O-CB 3.42Å; D1308-I1312 VanDerWaalsContact O-CG1 3.28Å; D1308-I1312 WeakPolarHBondContact O-CG1 3.27Å; D1308-I1312 PolarHBondContact O-N 3.35Å |
| 1309 | K | 46.6 | Very low | 48.6 | Very low | 133 Ų | 133 | 100.2 Ų | 100.2 | 58% | 0.578 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -60 | -39.2 | 165.3 | -95.8 | 179 | 174.3 | 167.7 | 0 | 112.6 | E1305 I1311 I1312 N1313 | E1305-K1309 VanDerWaalsContact O-CB 3.28Å; E1305-K1309 WeakPolarHBondContact O-CB 3.23Å; E1305-K1309 PolarHBondContact O-N 3.27Å; K1309-I1311 VanDerWaalsContact C-N 3.34Å; K1309-I1312 PolarHBondContact O-N 3.44Å; K1309-N1313 WeakPolarHBondContact O-CB 3.47Å; K1309-N1313 PolarHBondContact O-N 3.35Å; K1309-N1313 PolarHBondContact O-ND2 3.48Å |
| 1310 | H | 42.9 | Very low | 46.9 | Very low | 116 Ų | 116 | 101.7 Ų | 101.7 | 54% | 0.537 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.4 | -39.8 | 178.4 | -171.6 | 70 | 0 | 0 | 0 | 110.9 | G1306 F1307 D1308 T1314 | G1306-H1310 VanDerWaalsContact O-CB 3.29Å; G1306-H1310 WeakPolarHBondContact O-CB 3.46Å; G1306-H1310 PolarHBondContact O-N 3.23Å; F1307-H1310 CarbonylContact O-C 3.5Å; F1307-H1310 WeakPolarHBondContact O-CA 3.48Å; F1307-H1310 VanDerWaalsContact O-CB 3.29Å; F1307-H1310 WeakPolarHBondContact O-CB 3.13Å; F1307-H1310 PolarHBondContact O-N 3.38Å; D1308-H1310 VanDerWaalsContact C-N 3.3Å; D1308-H1310 PolarHBondContact O-N 3.01Å; H1310-T1314 VanDerWaalsContact O-CB 3.24Å; H1310-T1314 WeakPolarHBondContact O-CB 3.14Å; H1310-T1314 PolarHBondContact O-N 3.19Å; H1310-T1314 PolarHBondContact O-OG1 3.3Å |
| 1311 | I | 42 | Very low | 45.2 | Very low | 82 Ų | 82 | 105.4 Ų | 105.4 | 42% | 0.421 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.8 | -48 | 174.7 | -65.4 | -89.1 | 0 | 0 | 0 | 110.7 | F1307 D1308 K1309 T1314 K1315 | F1307-I1311 HydrophobicContact CD1-CG1 4.02Å; F1307-I1311 HydrophobicContact CE1-CD1 3.84Å; F1307-I1311 HydrophobicContact CE1-CG1 3.72Å; F1307-I1311 HydrophobicContact CZ-CD1 3.86Å; F1307-I1311 HydrophobicContact CZ-CG1 4.08Å; F1307-I1311 VanDerWaalsContact O-CG1 3.26Å; F1307-I1311 WeakPolarHBondContact O-CG1 3.43Å; F1307-I1311 PolarHBondContact O-N 3.46Å; D1308-I1311 PolarHBondContact O-N 2.95Å; K1309-I1311 VanDerWaalsContact C-N 3.34Å; I1311-T1314 PolarHBondContact O-N 3.31Å; I1311-K1315 PolarHBondContact O-N 3.06Å |
| 1312 | I | 44 | Very low | 43.5 | Very low | 80 Ų | 80 | 111.9 Ų | 111.9 | 41% | 0.41 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -62.6 | -47.8 | 178.2 | -67.2 | 166.6 | 0 | 0 | 0 | 110.2 | D1308 K1309 T1314 K1315 E1316 | D1308-I1312 WeakPolarHBondContact O-CB 3.42Å; D1308-I1312 VanDerWaalsContact O-CG1 3.28Å; D1308-I1312 WeakPolarHBondContact O-CG1 3.27Å; D1308-I1312 PolarHBondContact O-N 3.35Å; K1309-I1312 PolarHBondContact O-N 3.44Å; I1312-T1314 VanDerWaalsContact C-N 3.32Å; I1312-T1314 PolarHBondContact O-N 2.01Å; I1312-K1315 PolarHBondContact O-N 2.87Å; I1312-E1316 PolarHBondContact O-N 2.78Å |
| 1313 | N | 46 | Very low | 42.1 | Very low | 86 Ų | 86 | 111.8 Ų | 111.8 | 46% | 0.46 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -58.9 | -43.9 | 175.3 | -77.8 | -13.2 | 0 | 0 | 0 | 111 | K1309 K1315 E1316 L1317 | K1309-N1313 WeakPolarHBondContact O-CB 3.47Å; K1309-N1313 PolarHBondContact O-N 3.35Å; K1309-N1313 PolarHBondContact O-ND2 3.48Å; N1313-K1315 PolarHBondContact O-N 2.04Å; N1313-E1316 PolarHBondContact O-N 3.39Å; N1313-L1317 HydrophobicContact CB-CD1 4.03Å; N1313-L1317 WeakPolarHBondContact O-CB 3.46Å; N1313-L1317 WeakPolarHBondContact O-CD1 3.47Å; N1313-L1317 WeakPolarHBondContact O-CG 3.02Å; N1313-L1317 PolarHBondContact O-N 3.43Å |
| 1314 | T | 36.9 | Very low | 41.6 | Very low | 86 Ų | 86 | 111.7 Ų | 111.7 | 53% | 0.528 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -64.7 | -28.3 | 178.8 | -56.1 | 0 | 0 | 0 | 0 | 111.9 | H1310 I1311 I1312 | H1310-T1314 VanDerWaalsContact O-CB 3.24Å; H1310-T1314 WeakPolarHBondContact O-CB 3.14Å; H1310-T1314 PolarHBondContact O-N 3.19Å; H1310-T1314 PolarHBondContact O-OG1 3.3Å; I1311-T1314 PolarHBondContact O-N 3.31Å; I1312-T1314 VanDerWaalsContact C-N 3.32Å; I1312-T1314 PolarHBondContact O-N 2.01Å |
| 1315 | K | 34.1 | Very low | 41.2 | Very low | 179 Ų | 179 | 113.8 Ų | 113.8 | 78% | 0.778 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -82.2 | -29.9 | 176.9 | -133.8 | 176.4 | -174 | 176.1 | 0 | 113.4 | I1311 I1312 N1313 | I1311-K1315 PolarHBondContact O-N 3.06Å; I1312-K1315 PolarHBondContact O-N 2.87Å; N1313-K1315 PolarHBondContact O-N 2.04Å |
| 1316 | E | 40.6 | Very low | 41.6 | Very low | 142 Ų | 142 | 113.5 Ų | 113.5 | 66% | 0.664 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -98.2 | -13.1 | -176 | -67.3 | -169.5 | 160.9 | 0 | 0 | 114.2 | I1312 N1313 I1318 P1319 | I1312-E1316 PolarHBondContact O-N 2.78Å; N1313-E1316 PolarHBondContact O-N 3.39Å; E1316-I1318 PolarHBondContact O-N 3.08Å; E1316-I1318 VanDerWaalsContact O-N 3.09Å; E1316-P1319 WeakPolarHBondContact O-CD 3.47Å |
| 1317 | L | 33.5 | Very low | 42.1 | Very low | 99 Ų | 99 | 116.4 Ų | 116.4 | 52% | 0.518 | 59% | 0.587 | S | S | . | * | trans | -74 | 11.1 | -178.8 | -84 | 163.2 | 0 | 0 | 0 | 116.1 | N1313 | N1313-L1317 HydrophobicContact CB-CD1 4.03Å; N1313-L1317 WeakPolarHBondContact O-CB 3.46Å; N1313-L1317 WeakPolarHBondContact O-CD1 3.47Å; N1313-L1317 WeakPolarHBondContact O-CG 3.02Å; N1313-L1317 PolarHBondContact O-N 3.43Å | ||
| 1318 | I | 32.9 | Very low | 43 | Very low | 154 Ų | 154 | 111.6 Ų | 111.6 | 79% | 0.79 | 57% | 0.567 | S | S | * | * | S | Bend | trans | -82.5 | -18 | 178.5 | -73.1 | -178.8 | 0 | 0 | 0 | 114.8 | E1316 | E1316-I1318 PolarHBondContact O-N 3.08Å; E1316-I1318 VanDerWaalsContact O-N 3.09Å |
| 1319 | P | 29.4 | Very low | 44.1 | Very low | 99 Ų | 99 | 109 Ų | 109 | 64% | 0.643 | 55% | 0.552 | S | S | * | * | trans | -122 | 67.4 | 172.3 | 17.3 | 6 | 0 | 0 | 0 | 114 | E1316 I1321 | E1316-P1319 WeakPolarHBondContact O-CD 3.47Å; P1319-I1321 PolarHBondContact O-N 2.71Å | ||
| 1320 | D | 33.1 | Very low | 45.2 | Very low | 112 Ų | 112 | 109.4 Ų | 109.4 | 60% | 0.599 | 55% | 0.553 | S | S | * | * | trans | -66.5 | 40 | 160.4 | -94.4 | -27.4 | 0 | 0 | 0 | 113.6 | ||||
| 1321 | I | 29.3 | Very low | 46.6 | Very low | 149 Ų | 149 | 110.4 Ų | 110.4 | 76% | 0.764 | 55% | 0.552 | S | S | * | * | trans | -124 | 39.2 | 166.1 | -50.6 | 180 | 0 | 0 | 0 | 110.7 | P1319 | P1319-I1321 PolarHBondContact O-N 2.71Š| ||
| 1322 | L | 30.3 | Very low | 48.1 | Very low | 154 Ų | 154 | 106.6 Ų | 106.6 | 81% | 0.806 | 53% | 0.533 | S | S | * | . | S | Bend | trans | -129.3 | 20.7 | 158.5 | -69.5 | 172.3 | 0 | 0 | 0 | 113.4 | M1324 | L1322-M1324 PolarHBondContact O-N 2.96Š|
| 1323 | N | 38.8 | Very low | 49.7 | Very low | 118 Ų | 118 | 104.7 Ų | 104.7 | 63% | 0.631 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | 28.5 | 77.4 | 125.5 | -139.6 | 7.7 | 0 | 0 | 0 | 120 | |||
| 1324 | M | 49.6 | Very low | 51.2 | Low | 140 Ų | 140 | 104.7 Ų | 104.7 | 69% | 0.69 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 163.7 | -27.7 | 130.9 | -102.6 | -172.7 | -79.5 | 0 | 0 | 111.6 | L1322 | L1322-M1324 PolarHBondContact O-N 2.96Š|
| 1325 | E | 52.6 | Low | 53.1 | Low | 85 Ų | 85 | 102.2 Ų | 102.2 | 40% | 0.397 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -74.8 | -40.4 | -179.7 | -159.5 | 168 | -163 | 0 | 0 | 111.3 | E1327 L1328 H1329 L1452 T1455 | E1325-E1327 PolarHBondContact O-N 3.09Å; E1325-L1328 PolarHBondContact O-N 3.35Å; E1325-H1329 PolarHBondContact O-N 3.36Å; E1325-L1452 HydrophobicContact CG-CD2 4Å; E1325-L1452 VanDerWaalsContact OE1-O 3.13Å; E1325-T1455 PolarHBondContact OE1-OG1 3.36Å; E1325-T1455 VanDerWaalsContact OE1-OG1 3.11Å |
| 1326 | D | 61.7 | Low | 55.2 | Low | 109 Ų | 109 | 94.7 Ų | 94.7 | 58% | 0.583 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -66.1 | -37.4 | 178.8 | -69.5 | -35.7 | 0 | 0 | 0 | 113.2 | L1328 H1329 K1330 | D1326-L1328 VanDerWaalsContact C-N 3.33Å; D1326-L1328 PolarHBondContact O-N 3.41Å; D1326-H1329 WeakPolarHBondContact O-CB 3.31Å; D1326-H1329 PolarHBondContact O-N 3.19Å; D1326-K1330 WeakPolarHBondContact O-CB 3.16Å; D1326-K1330 PolarHBondContact O-N 3.24Å |
| 1327 | E | 64.6 | Low | 57 | Low | 101 Ų | 101 | 91.4 Ų | 91.4 | 47% | 0.472 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -65.2 | -40.4 | 177.1 | -173.5 | 173.8 | 167.7 | 0 | 0 | 111 | E1325 H1329 K1330 R1331 | E1325-E1327 PolarHBondContact O-N 3.09Å; E1327-H1329 VanDerWaalsContact C-N 3.3Å; E1327-H1329 PolarHBondContact O-N 3.1Å; E1327-K1330 PolarHBondContact O-N 3.46Å; E1327-R1331 HydrophobicContact CG-CG 4.47Å; E1327-R1331 WeakPolarHBondContact O-CB 3.29Å; E1327-R1331 WeakPolarHBondContact O-CG 3.45Å; E1327-R1331 PolarHBondContact O-N 3.46Å; E1327-R1331 IonicContact OE1-CZ 2.83Å; E1327-R1331 VanDerWaalsContact OE1-CZ 3.3Å; E1327-R1331 IonicContact OE1-NE 3.76Å; E1327-R1331 PolarHBondContact OE1-NE 3.09Å; E1327-R1331 IonicContact OE1-NH2 3.73Å; E1327-R1331 PolarHBondContact OE1-NH2 3.1Å |
| 1328 | L | 65.2 | Low | 59 | Low | 21 Ų | 21 | 91.5 Ų | 91.5 | 11% | 0.11 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -64.5 | -38.7 | 175.4 | -163.4 | 72.5 | 0 | 0 | 0 | 110.6 | E1325 D1326 L1332 L1452 A1473 F1477 | E1325-L1328 PolarHBondContact O-N 3.35Å; D1326-L1328 VanDerWaalsContact C-N 3.33Å; D1326-L1328 PolarHBondContact O-N 3.41Å; L1328-L1332 WeakPolarHBondContact O-CB 3.14Å; L1328-L1332 PolarHBondContact O-N 3.17Å; L1328-L1452 HydrophobicContact CD2-CD1 3.98Å; L1328-L1452 HydrophobicContact CD2-CD2 4.12Å; L1328-L1452 HydrophobicContact CG-CD1 4.45Å; L1328-A1473 HydrophobicContact CD2-CB 3.89Å; L1328-F1477 HydrophobicContact CD1-CB 3.9Å; L1328-F1477 HydrophobicContact CD1-CD1 3.87Å; L1328-F1477 HydrophobicContact CD1-CD2 4.36Å; L1328-F1477 HydrophobicContact CD1-CG 3.77Å |
| 1329 | H | 71.5 | Confident | 61.3 | Low | 44 Ų | 44 | 84.2 Ų | 84.2 | 20% | 0.204 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -65.1 | -40.5 | 176.3 | -145.6 | 87.6 | 0 | 0 | 0 | 112.6 | E1325 D1326 E1327 T1333 K1449 | E1325-H1329 PolarHBondContact O-N 3.36Å; D1326-H1329 WeakPolarHBondContact O-CB 3.31Å; D1326-H1329 PolarHBondContact O-N 3.19Å; E1327-H1329 VanDerWaalsContact C-N 3.3Å; E1327-H1329 PolarHBondContact O-N 3.1Å; H1329-T1333 WeakPolarHBondContact O-CB 3.06Å; H1329-T1333 PolarHBondContact O-N 3.3Å; H1329-T1333 PolarHBondContact O-OG1 3.09Å; H1329-K1449 WeakPolarHBondContact CE1-CG 3.26Å; H1329-K1449 WeakPolarHBondContact NE2-CE 3.42Å |
| 1330 | K | 70.2 | Confident | 63.7 | Low | 141 Ų | 141 | 82.9 Ų | 82.9 | 61% | 0.613 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -64.9 | -52.6 | 175.8 | -171.8 | 176.7 | -178.1 | 176.4 | 0 | 111.1 | D1326 E1327 L1332 T1333 D1334 | D1326-K1330 WeakPolarHBondContact O-CB 3.16Å; D1326-K1330 PolarHBondContact O-N 3.24Å; E1327-K1330 PolarHBondContact O-N 3.46Å; K1330-L1332 VanDerWaalsContact C-N 3.28Å; K1330-L1332 PolarHBondContact O-N 3.46Å; K1330-T1333 WeakPolarHBondContact O-CA 3.02Å; K1330-T1333 WeakPolarHBondContact O-CB 3.35Å; K1330-T1333 PolarHBondContact O-N 3.01Å; K1330-D1334 PolarHBondContact O-N 2.84Å |
| 1331 | R | 71.9 | Confident | 65.8 | Low | 138 Ų | 138 | 82 Ų | 82 | 52% | 0.521 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -59 | -38.6 | 176.8 | -71.4 | 179.5 | 179 | -133.8 | 3.3 | 112.5 | E1327 T1333 L1335 F1477 | E1327-R1331 HydrophobicContact CG-CG 4.47Å; E1327-R1331 WeakPolarHBondContact O-CB 3.29Å; E1327-R1331 WeakPolarHBondContact O-CG 3.45Å; E1327-R1331 PolarHBondContact O-N 3.46Å; E1327-R1331 IonicContact OE1-CZ 2.83Å; E1327-R1331 VanDerWaalsContact OE1-CZ 3.3Å; E1327-R1331 IonicContact OE1-NE 3.76Å; E1327-R1331 PolarHBondContact OE1-NE 3.09Å; E1327-R1331 IonicContact OE1-NH2 3.73Å; E1327-R1331 PolarHBondContact OE1-NH2 3.1Å; R1331-T1333 VanDerWaalsContact C-N 3.34Å; R1331-L1335 VanDerWaalsContact O-CB 3.25Å; R1331-L1335 WeakPolarHBondContact O-CB 3.5Å; R1331-L1335 PolarHBondContact O-N 3.01Å; R1331-F1477 HydrophobicContact CB-CZ 3.95Å |
| 1332 | L | 74.6 | Confident | 68.1 | Low | 2 Ų | 2 | 76.2 Ų | 76.2 | 1% | 0.01 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -66.4 | -37 | 175.4 | -173.6 | 68.9 | 0 | 0 | 0 | 111.9 | L1328 K1330 A1336 M1445 L1448 K1449 L1452 F1477 | L1328-L1332 WeakPolarHBondContact O-CB 3.14Å; L1328-L1332 PolarHBondContact O-N 3.17Å; K1330-L1332 VanDerWaalsContact C-N 3.28Å; K1330-L1332 PolarHBondContact O-N 3.46Å; L1332-A1336 VanDerWaalsContact O-CB 3.31Å; L1332-A1336 WeakPolarHBondContact O-CB 3.37Å; L1332-A1336 PolarHBondContact O-N 3.04Å; L1332-M1445 HydrophobicContact CD1-CB 4.06Å; L1332-M1445 HydrophobicContact CD1-CG 3.98Å; L1332-L1448 HydrophobicContact CD1-CD2 4.21Å; L1332-L1448 HydrophobicContact CD2-CB 4.32Å; L1332-L1448 HydrophobicContact CD2-CD2 4.37Å; L1332-L1448 HydrophobicContact CD2-CG 4.5Å; L1332-K1449 HydrophobicContact CD2-CB 3.73Å; L1332-K1449 HydrophobicContact CD2-CG 4.27Å; L1332-L1452 HydrophobicContact CD2-CD1 4.42Å; L1332-F1477 HydrophobicContact CB-CD2 4.43Å; L1332-F1477 HydrophobicContact CB-CE2 4.19Å; L1332-F1477 HydrophobicContact CD1-CD2 3.85Å; L1332-F1477 HydrophobicContact CD1-CE2 3.98Å |
| 1333 | T | 77.9 | Confident | 70.7 | Confident | 40 Ų | 40 | 69.4 Ų | 69.4 | 25% | 0.245 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -69.8 | -47.3 | 177.4 | -58.5 | 0 | 0 | 0 | 0 | 111.2 | H1329 K1330 R1331 L1335 A1336 T1337 K1449 | H1329-T1333 WeakPolarHBondContact O-CB 3.06Å; H1329-T1333 PolarHBondContact O-N 3.3Å; H1329-T1333 PolarHBondContact O-OG1 3.09Å; K1330-T1333 WeakPolarHBondContact O-CA 3.02Å; K1330-T1333 WeakPolarHBondContact O-CB 3.35Å; K1330-T1333 PolarHBondContact O-N 3.01Å; R1331-T1333 VanDerWaalsContact C-N 3.34Å; T1333-L1335 VanDerWaalsContact C-N 3.32Å; T1333-L1335 PolarHBondContact O-N 3.18Å; T1333-A1336 PolarHBondContact O-N 3.07Å; T1333-A1336 VanDerWaalsContact O-N 3.14Å; T1333-T1337 PolarHBondContact O-N 2.02Å; T1333-T1337 PolarHBondContact O-OG1 2.72Å; T1333-K1449 PolarHBondContact OG1-NZ 3.28Å |
| 1334 | D | 76.8 | Confident | 72.7 | Confident | 86 Ų | 86 | 67.8 Ų | 67.8 | 46% | 0.46 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -60.1 | -43.3 | 177.1 | -65.8 | -19.8 | 0 | 0 | 0 | 111.5 | K1330 A1336 T1337 N1338 | K1330-D1334 PolarHBondContact O-N 2.84Å; D1334-A1336 VanDerWaalsContact C-N 3.35Å; D1334-A1336 PolarHBondContact O-N 2.96Å; D1334-T1337 PolarHBondContact O-N 2.87Å; D1334-N1338 PolarHBondContact O-N 3.22Å; D1334-N1338 VanDerWaalsContact O-N 3.07Å |
| 1335 | L | 76.2 | Confident | 74.3 | Confident | 33 Ų | 33 | 65 Ų | 65 | 17% | 0.173 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63 | -41 | 176.1 | -164.3 | 66.2 | 0 | 0 | 0 | 111.6 | R1331 T1333 N1338 V1339 M1445 F1477 L1484 | R1331-L1335 VanDerWaalsContact O-CB 3.25Å; R1331-L1335 WeakPolarHBondContact O-CB 3.5Å; R1331-L1335 PolarHBondContact O-N 3.01Å; T1333-L1335 VanDerWaalsContact C-N 3.32Å; T1333-L1335 PolarHBondContact O-N 3.18Å; L1335-N1338 PolarHBondContact O-N 3.35Å; L1335-V1339 WeakPolarHBondContact O-CB 3.48Å; L1335-V1339 VanDerWaalsContact O-CG2 3.23Å; L1335-V1339 WeakPolarHBondContact O-CG2 3.35Å; L1335-V1339 PolarHBondContact O-N 3.02Å; L1335-M1445 HydrophobicContact CB-CE 3.72Å; L1335-M1445 HydrophobicContact CD2-CE 3.41Å; L1335-M1445 VanDerWaalsContact CD2-CE 3.41Å; L1335-M1445 HydrophobicContact CG-CE 3.33Å; L1335-F1477 HydrophobicContact CD2-CE2 4.06Å; L1335-F1477 HydrophobicContact CD2-CZ 4.27Å; L1335-L1484 HydrophobicContact CD1-CD2 3.48Å; L1335-L1484 VanDerWaalsContact CD1-CD2 3.48Å; L1335-L1484 HydrophobicContact CD2-CD2 4.18Å; L1335-L1484 HydrophobicContact CG-CD2 4Å |
| 1336 | A | 79.2 | Confident | 75.8 | Confident | 22 Ų | 22 | 61 Ų | 61 | 18% | 0.182 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -65.9 | -37 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L1332 T1333 D1334 V1339 N1340 M1445 | L1332-A1336 VanDerWaalsContact O-CB 3.31Å; L1332-A1336 WeakPolarHBondContact O-CB 3.37Å; L1332-A1336 PolarHBondContact O-N 3.04Å; T1333-A1336 PolarHBondContact O-N 3.07Å; T1333-A1336 VanDerWaalsContact O-N 3.14Å; D1334-A1336 VanDerWaalsContact C-N 3.35Å; D1334-A1336 PolarHBondContact O-N 2.96Å; A1336-V1339 PolarHBondContact O-N 3.48Å; A1336-N1340 WeakPolarHBondContact O-CB 3.32Å; A1336-N1340 PolarHBondContact O-N 3.03Å; A1336-N1340 PolarHBondContact O-ND2 2.95Å; A1336-M1445 HydrophobicContact CB-SD 4.08Å |
| 1337 | T | 77.5 | Confident | 76.9 | Confident | 73 Ų | 73 | 62 Ų | 62 | 45% | 0.448 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -63.8 | -48.3 | 175.6 | -45.8 | 0 | 0 | 0 | 0 | 110.9 | T1333 D1334 V1339 N1340 D1341 | T1333-T1337 PolarHBondContact O-N 2.02Å; T1333-T1337 PolarHBondContact O-OG1 2.72Å; D1334-T1337 PolarHBondContact O-N 2.87Å; T1337-V1339 VanDerWaalsContact C-N 3.29Å; T1337-V1339 PolarHBondContact O-N 3.01Å; T1337-N1340 WeakPolarHBondContact O-CB 3.11Å; T1337-N1340 PolarHBondContact O-N 3.33Å; T1337-N1340 VanDerWaalsContact O-N 3.12Å; T1337-D1341 PolarHBondContact O-N 3.26Å |
| 1338 | N | 76.3 | Confident | 77.6 | Confident | 100 Ų | 100 | 64.3 Ų | 64.3 | 54% | 0.535 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61 | -38.3 | 176.7 | -70.3 | -19.6 | 0 | 0 | 0 | 112.3 | D1334 L1335 L1342 | D1334-N1338 PolarHBondContact O-N 3.22Å; D1334-N1338 VanDerWaalsContact O-N 3.07Å; L1335-N1338 PolarHBondContact O-N 3.35Å; N1338-L1342 WeakPolarHBondContact O-CG 3.04Å; N1338-L1342 PolarHBondContact O-N 3.25Å |
| 1339 | V | 80.2 | Confident | 78.5 | Confident | 2 Ų | 2 | 65.1 Ų | 65.1 | 1% | 0.012 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -69.5 | -35.6 | 176.2 | 173.1 | 0 | 0 | 0 | 0 | 111.7 | L1335 A1336 T1337 L1342 H1343 I1438 L1442 M1445 L1484 | L1335-V1339 WeakPolarHBondContact O-CB 3.48Å; L1335-V1339 VanDerWaalsContact O-CG2 3.23Å; L1335-V1339 WeakPolarHBondContact O-CG2 3.35Å; L1335-V1339 PolarHBondContact O-N 3.02Å; A1336-V1339 PolarHBondContact O-N 3.48Å; T1337-V1339 VanDerWaalsContact C-N 3.29Å; T1337-V1339 PolarHBondContact O-N 3.01Å; V1339-L1342 PolarHBondContact O-N 3.4Å; V1339-H1343 WeakPolarHBondContact O-CB 3.44Å; V1339-H1343 PolarHBondContact O-N 2.87Å; V1339-I1438 HydrophobicContact CG1-CG2 3.78Å; V1339-L1442 HydrophobicContact CB-CD2 4.14Å; V1339-L1442 HydrophobicContact CG1-CD1 4.44Å; V1339-L1442 HydrophobicContact CG1-CD2 3.71Å; V1339-L1442 HydrophobicContact CG1-CG 3.83Å; V1339-M1445 HydrophobicContact CG2-CE 4.1Å; V1339-L1484 HydrophobicContact CG2-CD1 3.6Å; V1339-L1484 HydrophobicContact CG2-CD2 4.34Å |
| 1340 | N | 81.1 | Confident | 79.2 | Confident | 71 Ų | 71 | 64 Ų | 64 | 38% | 0.38 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -66.3 | -42 | 174.1 | -82.9 | -30.3 | 0 | 0 | 0 | 112.3 | A1336 T1337 L1342 H1343 D1344 L1442 | A1336-N1340 WeakPolarHBondContact O-CB 3.32Å; A1336-N1340 PolarHBondContact O-N 3.03Å; A1336-N1340 PolarHBondContact O-ND2 2.95Å; T1337-N1340 WeakPolarHBondContact O-CB 3.11Å; T1337-N1340 PolarHBondContact O-N 3.33Å; T1337-N1340 VanDerWaalsContact O-N 3.12Å; N1340-L1342 VanDerWaalsContact C-N 3.26Å; N1340-L1342 PolarHBondContact O-N 3.02Å; N1340-H1343 WeakPolarHBondContact O-CA 3.13Å; N1340-H1343 WeakPolarHBondContact O-CB 3.44Å; N1340-H1343 PolarHBondContact O-N 3.43Å; N1340-D1344 PolarHBondContact O-N 2.89Å; N1340-L1442 WeakPolarHBondContact OD1-CD1 3.3Å; N1340-L1442 WeakPolarHBondContact OD1-CD2 3.08Å |
| 1341 | D | 77.4 | Confident | 79.8 | Confident | 94 Ų | 94 | 62.2 Ų | 62.2 | 50% | 0.503 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -60.3 | -40.6 | 174.7 | -84.2 | 11.5 | 0 | 0 | 0 | 111.2 | T1337 H1343 D1344 Q1345 | T1337-D1341 PolarHBondContact O-N 3.26Å; D1341-H1343 VanDerWaalsContact C-N 3.33Å; D1341-D1344 PolarHBondContact O-N 3.44Å; D1341-Q1345 WeakPolarHBondContact O-CG 3.42Å; D1341-Q1345 PolarHBondContact O-N 3.39Å; D1341-Q1345 VanDerWaalsContact O-N 3.07Å |
| 1342 | L | 77.5 | Confident | 80.1 | Confident | 27 Ų | 27 | 57.3 Ų | 57.3 | 14% | 0.141 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -67.4 | -32.8 | 173.5 | -69.9 | 171.8 | 0 | 0 | 0 | 112.6 | N1338 V1339 N1340 S1346 L1489 N1490 L1493 | N1338-L1342 WeakPolarHBondContact O-CG 3.04Å; N1338-L1342 PolarHBondContact O-N 3.25Å; V1339-L1342 PolarHBondContact O-N 3.4Å; N1340-L1342 VanDerWaalsContact C-N 3.26Å; N1340-L1342 PolarHBondContact O-N 3.02Å; L1342-S1346 VanDerWaalsContact O-CB 3.23Å; L1342-S1346 WeakPolarHBondContact O-CB 2.97Å; L1342-S1346 PolarHBondContact O-N 3.02Å; L1342-S1346 PolarHBondContact O-OG 3.33Å; L1342-L1489 HydrophobicContact CD1-CB 4.11Å; L1342-L1489 HydrophobicContact CD1-CD1 4.33Å; L1342-N1490 WeakPolarHBondContact CD2-OD1 3.16Å; L1342-L1493 HydrophobicContact CD2-CD2 4.14Å |
| 1343 | H | 85.1 | Confident | 80.5 | Confident | 11 Ų | 11 | 57.2 Ų | 57.2 | 5% | 0.051 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.6 | -47.3 | 173.4 | -169.6 | 61.8 | 0 | 0 | 0 | 111.6 | V1339 N1340 D1341 S1346 R1347 I1438 N1439 | V1339-H1343 WeakPolarHBondContact O-CB 3.44Å; V1339-H1343 PolarHBondContact O-N 2.87Å; N1340-H1343 WeakPolarHBondContact O-CA 3.13Å; N1340-H1343 WeakPolarHBondContact O-CB 3.44Å; N1340-H1343 PolarHBondContact O-N 3.43Å; D1341-H1343 VanDerWaalsContact C-N 3.33Å; H1343-S1346 PolarHBondContact O-N 2.86Å; H1343-R1347 PolarHBondContact NE2-NH2 2.82Å; H1343-R1347 WeakPolarHBondContact O-CB 3.47Å; H1343-R1347 PolarHBondContact O-N 2.84Å; H1343-I1438 HydrophobicContact CB-CG2 3.72Å; H1343-I1438 VanDerWaalsContact ND1-CG2 3.31Å; H1343-I1438 WeakPolarHBondContact ND1-CG2 3.35Å; H1343-N1439 PolarHBondContact CE1-OD1 3.43Å; H1343-N1439 PolarHBondContact NE2-OD1 3Å |
| 1344 | D | 80.7 | Confident | 80.7 | Confident | 83 Ų | 83 | 59 Ų | 59 | 44% | 0.444 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -68.7 | -39.4 | -178.6 | -74.5 | -17.7 | 0 | 0 | 0 | 111.7 | N1340 D1341 R1347 K1348 | N1340-D1344 PolarHBondContact O-N 2.89Å; D1341-D1344 PolarHBondContact O-N 3.44Å; D1344-R1347 PolarHBondContact O-N 3.22Å; D1344-K1348 WeakPolarHBondContact O-CG 3.43Å; D1344-K1348 PolarHBondContact O-N 3.11Å; D1344-K1348 VanDerWaalsContact O-N 3.14Å |
| 1345 | Q | 82.3 | Confident | 80.9 | Confident | 81 Ų | 81 | 61.3 Ų | 61.3 | 38% | 0.379 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -62.3 | -45.5 | 170.8 | -69.2 | -175.1 | 44.1 | 0 | 0 | 111.7 | D1341 R1347 K1348 E1349 L1493 | D1341-Q1345 WeakPolarHBondContact O-CG 3.42Å; D1341-Q1345 PolarHBondContact O-N 3.39Å; D1341-Q1345 VanDerWaalsContact O-N 3.07Å; Q1345-R1347 VanDerWaalsContact C-N 3.25Å; Q1345-R1347 PolarHBondContact O-N 3.09Å; Q1345-K1348 PolarHBondContact O-N 3.12Å; Q1345-E1349 PolarHBondContact O-N 3.42Å; Q1345-L1493 HydrophobicContact CB-CD2 3.82Å |
| 1346 | S | 83.8 | Confident | 81 | Confident | 2 Ų | 2 | 60 Ų | 60 | 1% | 0.014 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.4 | -33.4 | 177.6 | -59.3 | 0 | 0 | 0 | 0 | 112.1 | L1342 H1343 E1349 L1350 L1434 | L1342-S1346 VanDerWaalsContact O-CB 3.23Å; L1342-S1346 WeakPolarHBondContact O-CB 2.97Å; L1342-S1346 PolarHBondContact O-N 3.02Å; L1342-S1346 PolarHBondContact O-OG 3.33Å; H1343-S1346 PolarHBondContact O-N 2.86Å; S1346-E1349 PolarHBondContact O-N 3Å; S1346-L1350 PolarHBondContact O-N 3Å; S1346-L1434 WeakPolarHBondContact OG-CD2 3.08Å |
| 1347 | R | 84.3 | Confident | 81.2 | Confident | 130 Ų | 130 | 60.9 Ų | 60.9 | 49% | 0.491 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -69 | -41.2 | 178 | -171.5 | -174.8 | -59.6 | -153.1 | 5 | 111.8 | H1343 D1344 Q1345 E1349 L1350 L1351 I1435 | H1343-R1347 PolarHBondContact NE2-NH2 2.82Å; H1343-R1347 WeakPolarHBondContact O-CB 3.47Å; H1343-R1347 PolarHBondContact O-N 2.84Å; D1344-R1347 PolarHBondContact O-N 3.22Å; Q1345-R1347 VanDerWaalsContact C-N 3.25Å; Q1345-R1347 PolarHBondContact O-N 3.09Å; R1347-E1349 VanDerWaalsContact C-N 3.3Å; R1347-E1349 PolarHBondContact O-N 3Å; R1347-L1350 PolarHBondContact O-N 3.2Å; R1347-L1351 WeakPolarHBondContact O-CG 3.46Å; R1347-L1351 PolarHBondContact O-N 2.91Å; R1347-I1435 HydrophobicContact CB-CD1 4.25Å |
| 1348 | K | 80.8 | Confident | 81.3 | Confident | 150 Ų | 150 | 62.1 Ų | 62.1 | 65% | 0.652 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -59.5 | -43.5 | 174.2 | -71.1 | 175.9 | -179.3 | 179.5 | 0 | 111 | D1344 Q1345 L1351 A1352 | D1344-K1348 WeakPolarHBondContact O-CG 3.43Å; D1344-K1348 PolarHBondContact O-N 3.11Å; D1344-K1348 VanDerWaalsContact O-N 3.14Å; Q1345-K1348 PolarHBondContact O-N 3.12Å; K1348-L1351 PolarHBondContact O-N 3.11Å; K1348-A1352 PolarHBondContact O-N 3.09Å |
| 1349 | E | 83 | Confident | 81.3 | Confident | 37 Ų | 37 | 60 Ų | 60 | 17% | 0.173 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -69.5 | -32.1 | 176.9 | -62.3 | -53.8 | 148.8 | 0 | 0 | 113.6 | Q1345 S1346 R1347 A1352 A1353 L1493 L1496 K1497 N1500 | Q1345-E1349 PolarHBondContact O-N 3.42Å; S1346-E1349 PolarHBondContact O-N 3Å; R1347-E1349 VanDerWaalsContact C-N 3.3Å; R1347-E1349 PolarHBondContact O-N 3Å; E1349-A1352 PolarHBondContact O-N 3.01Å; E1349-A1353 PolarHBondContact O-N 3.05Å; E1349-L1493 HydrophobicContact CB-CD1 4.36Å; E1349-L1493 HydrophobicContact CG-CD1 3.76Å; E1349-L1496 HydrophobicContact CB-CD2 3.65Å; E1349-L1496 HydrophobicContact CB-CG 4.11Å; E1349-K1497 HydrophobicContact CG-CG 3.74Å; E1349-K1497 VanDerWaalsContact OE1-CE 3.29Å; E1349-K1497 WeakPolarHBondContact OE1-CE 3.35Å; E1349-K1497 WeakPolarHBondContact OE1-CG 3.02Å; E1349-N1500 PolarHBondContact O-ND2 2.57Å; E1349-N1500 PolarHBondContact OE2-ND2 3.49Å; E1349-N1500 VanDerWaalsContact OE2-ND2 3.08Å |
| 1350 | L | 87.2 | Confident | 81.3 | Confident | 21 Ų | 21 | 60 Ų | 60 | 11% | 0.11 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -66 | -40.5 | 173 | 177 | 58.8 | 0 | 0 | 0 | 111.9 | S1346 R1347 A1352 A1353 Q1354 I1435 | S1346-L1350 PolarHBondContact O-N 3Å; R1347-L1350 PolarHBondContact O-N 3.2Å; L1350-A1352 VanDerWaalsContact C-N 3.3Å; L1350-A1352 PolarHBondContact O-N 3.05Å; L1350-A1353 PolarHBondContact O-N 3.48Å; L1350-Q1354 HydrophobicContact CD1-CG 4.42Å; L1350-Q1354 WeakPolarHBondContact O-CG 3.24Å; L1350-Q1354 PolarHBondContact O-N 3.25Å; L1350-I1435 HydrophobicContact CD2-CG1 4.09Å |
| 1351 | L | 81.5 | Confident | 81.1 | Confident | 103 Ų | 103 | 59 Ų | 59 | 54% | 0.539 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62.2 | -39.5 | 175.6 | -72.9 | 167.2 | 0 | 0 | 0 | 111.4 | R1347 K1348 Q1354 Y1355 | R1347-L1351 WeakPolarHBondContact O-CG 3.46Å; R1347-L1351 PolarHBondContact O-N 2.91Å; K1348-L1351 PolarHBondContact O-N 3.11Å; L1351-Q1354 PolarHBondContact O-N 2.97Å; L1351-Y1355 PolarHBondContact O-N 2.81Å |
| 1352 | A | 78.8 | Confident | 81 | Confident | 36 Ų | 36 | 60.3 Ų | 60.3 | 30% | 0.298 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62.3 | -43.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | K1348 E1349 L1350 Q1354 Y1355 L1356 N1500 | K1348-A1352 PolarHBondContact O-N 3.09Å; E1349-A1352 PolarHBondContact O-N 3.01Å; L1350-A1352 VanDerWaalsContact C-N 3.3Å; L1350-A1352 PolarHBondContact O-N 3.05Å; A1352-Q1354 PolarHBondContact O-N 2.84Å; A1352-Y1355 PolarHBondContact O-N 3.31Å; A1352-L1356 WeakPolarHBondContact O-CG 3.38Å; A1352-L1356 PolarHBondContact O-N 2.98Å; A1352-N1500 HydrophobicContact CB-CB 4.48Å |
| 1353 | A | 82.6 | Confident | 81 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.9 | -37.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | E1349 L1350 L1356 H1357 | E1349-A1353 PolarHBondContact O-N 3.05Å; L1350-A1353 PolarHBondContact O-N 3.48Å; A1353-L1356 PolarHBondContact O-N 3.01Å; A1353-H1357 WeakPolarHBondContact O-CB 3.41Å; A1353-H1357 PolarHBondContact O-N 3.12Å |
| 1354 | Q | 83.5 | Confident | 80.7 | Confident | 76 Ų | 76 | 64 Ų | 64 | 36% | 0.355 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -65.2 | -41.4 | 174.4 | -77.6 | -179.6 | -18.7 | 0 | 0 | 112.4 | L1350 L1351 A1352 H1357 N1358 H1428 | L1350-Q1354 HydrophobicContact CD1-CG 4.42Å; L1350-Q1354 WeakPolarHBondContact O-CG 3.24Å; L1350-Q1354 PolarHBondContact O-N 3.25Å; L1351-Q1354 PolarHBondContact O-N 2.97Å; A1352-Q1354 PolarHBondContact O-N 2.84Å; Q1354-H1357 PolarHBondContact O-N 3.46Å; Q1354-N1358 PolarHBondContact O-N 2.78Å; Q1354-H1428 WeakPolarHBondContact CG-CD2 3.21Å; Q1354-H1428 WeakPolarHBondContact CG-NE2 3.25Å |
| 1355 | Y | 80.5 | Confident | 80.5 | Confident | 136 Ų | 136 | 66.1 Ų | 66.1 | 53% | 0.533 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -61.7 | -45.2 | 174.8 | 175.8 | -95.8 | 0 | 0 | 0 | 111.4 | L1351 A1352 H1357 N1358 Q1359 | L1351-Y1355 PolarHBondContact O-N 2.81Å; A1352-Y1355 PolarHBondContact O-N 3.31Å; Y1355-H1357 PolarHBondContact O-N 3.18Å; Y1355-N1358 PolarHBondContact O-N 3.26Å; Y1355-Q1359 HydrophobicContact CD1-CG 4.29Å; Y1355-Q1359 HydrophobicContact CE1-CG 3.86Å; Y1355-Q1359 HydrophobicContact CE2-CG 4.46Å; Y1355-Q1359 WeakPolarHBondContact O-CG 3.46Å; Y1355-Q1359 PolarHBondContact O-N 3.06Å; Y1355-Q1359 PolarHBondContact OH-NE2 3.45Å |
| 1356 | L | 78 | Confident | 80 | Confident | 4 Ų | 4 | 65.8 Ų | 65.8 | 2% | 0.021 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -58.1 | -47.7 | 174.5 | -69.2 | 166.5 | 0 | 0 | 0 | 111.1 | A1352 A1353 N1358 Q1359 T1360 N1500 R1503 L1507 | A1352-L1356 WeakPolarHBondContact O-CG 3.38Å; A1352-L1356 PolarHBondContact O-N 2.98Å; A1353-L1356 PolarHBondContact O-N 3.01Å; L1356-N1358 VanDerWaalsContact C-N 3.34Å; L1356-N1358 PolarHBondContact O-N 3.12Å; L1356-Q1359 WeakPolarHBondContact O-CB 3.4Å; L1356-Q1359 PolarHBondContact O-N 3.02Å; L1356-T1360 PolarHBondContact O-N 2.71Å; L1356-T1360 PolarHBondContact O-OG1 2.99Å; L1356-N1500 HydrophobicContact CD1-CB 4.16Å; L1356-N1500 WeakPolarHBondContact CD1-OD1 3.38Å; L1356-R1503 HydrophobicContact CD1-CB 4.45Å; L1356-L1507 HydrophobicContact CB-CD1 4.39Å; L1356-L1507 HydrophobicContact CD2-CD1 3.49Å; L1356-L1507 VanDerWaalsContact CD2-CD1 3.49Å |
| 1357 | H | 83.4 | Confident | 79.7 | Confident | 42 Ų | 42 | 66.1 Ų | 66.1 | 19% | 0.194 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -57.6 | -43.1 | 177.3 | -179.8 | 74 | 0 | 0 | 0 | 112.6 | A1353 Q1354 Y1355 T1360 N1361 D1425 | A1353-H1357 WeakPolarHBondContact O-CB 3.41Å; A1353-H1357 PolarHBondContact O-N 3.12Å; Q1354-H1357 PolarHBondContact O-N 3.46Å; Y1355-H1357 PolarHBondContact O-N 3.18Å; H1357-T1360 WeakPolarHBondContact CA-OG1 3.43Å; H1357-T1360 PolarHBondContact O-N 3.29Å; H1357-T1360 PolarHBondContact O-OG1 3.32Å; H1357-N1361 PolarHBondContact CD2-ND2 3.07Å; H1357-N1361 PolarHBondContact NE2-ND2 3.35Å; H1357-N1361 VanDerWaalsContact NE2-ND2 3.18Å; H1357-N1361 PolarHBondContact O-N 3.03Å; H1357-N1361 VanDerWaalsContact O-N 3.1Å; H1357-N1361 PolarHBondContact O-ND2 2.78Å; H1357-D1425 IonicContact CE1-OD1 2.65Å; H1357-D1425 PolarHBondContact CE1-OD1 3.18Å; H1357-D1425 IonicContact ND1-OD1 2.77Å; H1357-D1425 PolarHBondContact ND1-OD1 3.32Å |
| 1358 | N | 78.8 | Confident | 79.4 | Confident | 99 Ų | 99 | 61.2 Ų | 61.2 | 53% | 0.529 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -66 | -38 | 176.8 | -75.4 | -21.6 | 0 | 0 | 0 | 113 | Q1354 Y1355 L1356 N1361 Q1362 | Q1354-N1358 PolarHBondContact O-N 2.78Å; Y1355-N1358 PolarHBondContact O-N 3.26Å; L1356-N1358 VanDerWaalsContact C-N 3.34Å; L1356-N1358 PolarHBondContact O-N 3.12Å; N1358-N1361 PolarHBondContact O-N 3.16Å; N1358-Q1362 PolarHBondContact O-N 2.94Å |
| 1359 | Q | 77.1 | Confident | 79.1 | Confident | 55 Ų | 55 | 55.7 Ų | 55.7 | 26% | 0.257 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -63.4 | -43.3 | 174.6 | -73.4 | -97 | -42.4 | 0 | 0 | 111.2 | Y1355 L1356 N1361 Q1362 I1363 L1507 | Y1355-Q1359 HydrophobicContact CD1-CG 4.29Å; Y1355-Q1359 HydrophobicContact CE1-CG 3.86Å; Y1355-Q1359 HydrophobicContact CE2-CG 4.46Å; Y1355-Q1359 WeakPolarHBondContact O-CG 3.46Å; Y1355-Q1359 PolarHBondContact O-N 3.06Å; Y1355-Q1359 PolarHBondContact OH-NE2 3.45Å; L1356-Q1359 WeakPolarHBondContact O-CB 3.4Å; L1356-Q1359 PolarHBondContact O-N 3.02Å; Q1359-N1361 PolarHBondContact O-N 3.08Å; Q1359-Q1362 WeakPolarHBondContact O-CB 3.47Å; Q1359-Q1362 PolarHBondContact O-N 3.03Å; Q1359-I1363 PolarHBondContact O-N 3.22Å; Q1359-I1363 VanDerWaalsContact O-N 3.13Å; Q1359-L1507 HydrophobicContact CB-CD1 4.38Å |
| 1360 | T | 79.1 | Confident | 78.6 | Confident | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.006 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.2 | -42.1 | 175.5 | 26.6 | 0 | 0 | 0 | 0 | 112.8 | L1356 H1357 Q1362 I1363 E1364 I1420 I1421 A1424 L1507 | L1356-T1360 PolarHBondContact O-N 2.71Å; L1356-T1360 PolarHBondContact O-OG1 2.99Å; H1357-T1360 WeakPolarHBondContact CA-OG1 3.43Å; H1357-T1360 PolarHBondContact O-N 3.29Å; H1357-T1360 PolarHBondContact O-OG1 3.32Å; T1360-Q1362 VanDerWaalsContact C-N 3.26Å; T1360-Q1362 PolarHBondContact O-N 2.79Å; T1360-I1363 PolarHBondContact O-N 3.39Å; T1360-I1363 VanDerWaalsContact O-N 3.16Å; T1360-E1364 PolarHBondContact O-N 3.1Å; T1360-I1420 HydrophobicContact CG2-CG2 3.92Å; T1360-I1421 HydrophobicContact CG2-CB 4.39Å; T1360-I1421 HydrophobicContact CG2-CG1 3.75Å; T1360-A1424 HydrophobicContact CG2-CB 4.07Å; T1360-L1507 HydrophobicContact CG2-CD1 4.45Å; T1360-L1507 HydrophobicContact CG2-CD2 3.91Å |
| 1361 | N | 78.1 | Confident | 78.2 | Confident | 51 Ų | 51 | 57.6 Ų | 57.6 | 27% | 0.273 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -62 | -31.8 | 176.7 | -67.8 | -20.6 | 0 | 0 | 0 | 112.7 | H1357 N1358 Q1359 N1365 | H1357-N1361 PolarHBondContact CD2-ND2 3.07Å; H1357-N1361 PolarHBondContact NE2-ND2 3.35Å; H1357-N1361 VanDerWaalsContact NE2-ND2 3.18Å; H1357-N1361 PolarHBondContact O-N 3.03Å; H1357-N1361 VanDerWaalsContact O-N 3.1Å; H1357-N1361 PolarHBondContact O-ND2 2.78Å; N1358-N1361 PolarHBondContact O-N 3.16Å; Q1359-N1361 PolarHBondContact O-N 3.08Å; N1361-N1365 PolarHBondContact O-N 3.46Å; N1361-N1365 PolarHBondContact O-ND2 2.98Å |
| 1362 | Q | 75.2 | Confident | 77.9 | Confident | 122 Ų | 122 | 60 Ų | 60 | 57% | 0.57 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -71.8 | -42.4 | 174.8 | -71.1 | -177 | -12.2 | 0 | 0 | 111.8 | N1358 Q1359 T1360 N1365 I1366 | N1358-Q1362 PolarHBondContact O-N 2.94Å; Q1359-Q1362 WeakPolarHBondContact O-CB 3.47Å; Q1359-Q1362 PolarHBondContact O-N 3.03Å; T1360-Q1362 VanDerWaalsContact C-N 3.26Å; T1360-Q1362 PolarHBondContact O-N 2.79Å; Q1362-N1365 PolarHBondContact O-N 2.82Å; Q1362-I1366 WeakPolarHBondContact O-CG1 3.37Å; Q1362-I1366 PolarHBondContact O-N 2.89Å; Q1362-I1366 VanDerWaalsContact O-N 3.13Å |
| 1363 | I | 76.2 | Confident | 77.5 | Confident | 9 Ų | 9 | 64.4 Ų | 64.4 | 5% | 0.046 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.5 | -44 | 177.9 | -72.2 | 171.2 | 0 | 0 | 0 | 110.7 | Q1359 T1360 N1365 I1366 L1367 T1417 L1507 L1510 I1514 | Q1359-I1363 PolarHBondContact O-N 3.22Å; Q1359-I1363 VanDerWaalsContact O-N 3.13Å; T1360-I1363 PolarHBondContact O-N 3.39Å; T1360-I1363 VanDerWaalsContact O-N 3.16Å; I1363-N1365 VanDerWaalsContact C-N 3.31Å; I1363-N1365 PolarHBondContact O-N 3.4Å; I1363-I1366 PolarHBondContact O-N 3.5Å; I1363-I1366 VanDerWaalsContact O-N 3.14Å; I1363-L1367 PolarHBondContact O-N 3.04Å; I1363-T1417 HydrophobicContact CG2-CG2 3.63Å; I1363-L1507 HydrophobicContact CD1-CD2 3.34Å; I1363-L1510 HydrophobicContact CD1-CD2 4.3Å; I1363-L1510 HydrophobicContact CG2-CD2 4.12Å; I1363-I1514 HydrophobicContact CG2-CD1 3.55Å |
| 1364 | E | 79.4 | Confident | 77.1 | Confident | 105 Ų | 105 | 65.6 Ų | 65.6 | 49% | 0.491 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -58 | -42.5 | 176.9 | -166.8 | 179.8 | -166.4 | 0 | 0 | 111.9 | T1360 I1366 L1367 G1368 I1421 | T1360-E1364 PolarHBondContact O-N 3.1Å; E1364-I1366 PolarHBondContact O-N 3.12Å; E1364-L1367 PolarHBondContact O-N 3.25Å; E1364-G1368 PolarHBondContact O-N 2.87Å; E1364-I1421 HydrophobicContact CB-CD1 4.05Å; E1364-I1421 HydrophobicContact CG-CD1 4.18Å |
| 1365 | N | 76.5 | Confident | 76.7 | Confident | 128 Ų | 128 | 64.3 Ų | 64.3 | 68% | 0.684 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -63.6 | -40.3 | 175.8 | -80.7 | -46.8 | 0 | 0 | 0 | 113.1 | N1361 Q1362 I1363 G1369 | N1361-N1365 PolarHBondContact O-N 3.46Å; N1361-N1365 PolarHBondContact O-ND2 2.98Å; Q1362-N1365 PolarHBondContact O-N 2.82Å; I1363-N1365 VanDerWaalsContact C-N 3.31Å; I1363-N1365 PolarHBondContact O-N 3.4Å; N1365-G1369 PolarHBondContact O-N 3.05Å; N1365-G1369 VanDerWaalsContact O-N 3.1Å |
| 1366 | I | 72.3 | Confident | 76.2 | Confident | 75 Ų | 75 | 62.7 Ų | 62.7 | 39% | 0.385 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -66.3 | -46 | 177.1 | -65.8 | 167.2 | 0 | 0 | 0 | 109.8 | Q1362 I1363 E1364 G1369 I1370 I1514 | Q1362-I1366 WeakPolarHBondContact O-CG1 3.37Å; Q1362-I1366 PolarHBondContact O-N 2.89Å; Q1362-I1366 VanDerWaalsContact O-N 3.13Å; I1363-I1366 PolarHBondContact O-N 3.5Å; I1363-I1366 VanDerWaalsContact O-N 3.14Å; E1364-I1366 PolarHBondContact O-N 3.12Å; I1366-G1369 PolarHBondContact O-N 3.31Å; I1366-G1369 VanDerWaalsContact O-N 3.16Å; I1366-I1370 HydrophobicContact CG2-CD1 4.01Å; I1366-I1370 WeakPolarHBondContact O-CG1 3.45Å; I1366-I1370 PolarHBondContact O-N 3.16Å; I1366-I1514 HydrophobicContact CG2-CG2 3.68Å |
| 1367 | L | 77.7 | Confident | 75.7 | Confident | 9 Ų | 9 | 65.1 Ų | 65.1 | 5% | 0.047 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -62.2 | -47.5 | -179.6 | -136.4 | 99.2 | 0 | 0 | 0 | 111.4 | I1363 E1364 G1369 I1370 E1371 I1413 N1414 I1514 | I1363-L1367 PolarHBondContact O-N 3.04Å; E1364-L1367 PolarHBondContact O-N 3.25Å; L1367-G1369 PolarHBondContact O-N 3.17Å; L1367-I1370 WeakPolarHBondContact O-CA 3.07Å; L1367-I1370 WeakPolarHBondContact O-CB 3.2Å; L1367-I1370 PolarHBondContact O-N 3.35Å; L1367-E1371 PolarHBondContact O-N 3.36Å; L1367-I1413 HydrophobicContact CD1-CG2 3.99Å; L1367-N1414 HydrophobicContact CD2-CB 3.65Å; L1367-N1414 WeakPolarHBondContact CD2-OD1 3.46Å; L1367-I1514 HydrophobicContact CD1-CD1 3.76Å; L1367-I1514 HydrophobicContact CD1-CG1 4.18Å |
| 1368 | G | 77.1 | Confident | 75.1 | Confident | 26 Ų | 26 | 69 Ų | 69 | 27% | 0.268 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62.1 | -29.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | E1364 K1372 | E1364-G1368 PolarHBondContact O-N 2.87Å; G1368-K1372 WeakPolarHBondContact O-CB 3.48Å; G1368-K1372 VanDerWaalsContact O-CG 3.27Å; G1368-K1372 WeakPolarHBondContact O-CG 3.28Å; G1368-K1372 PolarHBondContact O-N 2.86Å; G1368-K1372 VanDerWaalsContact O-N 3.14Å |
| 1369 | G | 75.7 | Confident | 74.6 | Confident | 34 Ų | 34 | 68.4 Ų | 68.4 | 35% | 0.351 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -68.2 | -41.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | N1365 I1366 L1367 R1373 | N1365-G1369 PolarHBondContact O-N 3.05Å; N1365-G1369 VanDerWaalsContact O-N 3.1Å; I1366-G1369 PolarHBondContact O-N 3.31Å; I1366-G1369 VanDerWaalsContact O-N 3.16Å; L1367-G1369 PolarHBondContact O-N 3.17Å; G1369-R1373 PolarHBondContact O-N 2.93Å; G1369-R1373 VanDerWaalsContact O-N 3.12Å |
| 1370 | I | 72.7 | Confident | 73.9 | Confident | 21 Ų | 21 | 70.2 Ų | 70.2 | 11% | 0.108 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -66.7 | -47.5 | 176.4 | -68.4 | 168.8 | 0 | 0 | 0 | 110.4 | I1366 L1367 K1372 R1373 I1374 I1514 F1517 | I1366-I1370 HydrophobicContact CG2-CD1 4.01Å; I1366-I1370 WeakPolarHBondContact O-CG1 3.45Å; I1366-I1370 PolarHBondContact O-N 3.16Å; L1367-I1370 WeakPolarHBondContact O-CA 3.07Å; L1367-I1370 WeakPolarHBondContact O-CB 3.2Å; L1367-I1370 PolarHBondContact O-N 3.35Å; I1370-K1372 PolarHBondContact O-N 2.98Å; I1370-R1373 PolarHBondContact O-N 3.26Å; I1370-R1373 VanDerWaalsContact O-N 3.13Å; I1370-I1374 HydrophobicContact CG2-CD1 3.7Å; I1370-I1374 HydrophobicContact CG2-CG1 4.35Å; I1370-I1374 WeakPolarHBondContact O-CG1 3.04Å; I1370-I1374 PolarHBondContact O-N 3.28Å; I1370-I1514 HydrophobicContact CD1-CG2 4.23Å; I1370-F1517 HydrophobicContact CD1-CD1 4.31Å; I1370-F1517 HydrophobicContact CG2-CD1 4.38Å; I1370-F1517 HydrophobicContact CG2-CE1 3.73Å |
| 1371 | E | 77.2 | Confident | 73 | Confident | 77 Ų | 77 | 71.6 Ų | 71.6 | 36% | 0.36 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -58.5 | -46 | 177.6 | -73.4 | -174.9 | 159.7 | 0 | 0 | 112 | L1367 R1373 I1374 A1375 V1410 N1414 | L1367-E1371 PolarHBondContact O-N 3.36Å; E1371-R1373 VanDerWaalsContact C-N 3.3Å; E1371-R1373 PolarHBondContact O-N 2.99Å; E1371-I1374 PolarHBondContact O-N 3Å; E1371-A1375 WeakPolarHBondContact O-CB 3.36Å; E1371-A1375 PolarHBondContact O-N 3.15Å; E1371-V1410 HydrophobicContact CG-CG1 4.48Å; E1371-N1414 PolarHBondContact OE1-ND2 3.44Å |
| 1372 | K | 76.8 | Confident | 72.3 | Confident | 155 Ų | 155 | 73.6 Ų | 73.6 | 67% | 0.674 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -60.2 | -38.9 | 175.5 | -78.4 | 174.6 | -177.4 | 171.7 | 0 | 112.3 | G1368 I1370 N1376 | G1368-K1372 WeakPolarHBondContact O-CB 3.48Å; G1368-K1372 VanDerWaalsContact O-CG 3.27Å; G1368-K1372 WeakPolarHBondContact O-CG 3.28Å; G1368-K1372 PolarHBondContact O-N 2.86Å; G1368-K1372 VanDerWaalsContact O-N 3.14Å; I1370-K1372 PolarHBondContact O-N 2.98Å; K1372-N1376 WeakPolarHBondContact O-CB 3.45Å; K1372-N1376 VanDerWaalsContact O-CG 3.28Å; K1372-N1376 PolarHBondContact O-N 3.46Å; K1372-N1376 PolarHBondContact O-ND2 3.5Å |
| 1373 | R | 69.7 | Low | 71.6 | Confident | 128 Ų | 128 | 74.5 Ų | 74.5 | 48% | 0.483 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -67.6 | -46.5 | 176.5 | -83.3 | -179.3 | 177.5 | -159.7 | -0.2 | 112 | G1369 I1370 E1371 A1375 N1376 D1377 Y1521 | G1369-R1373 PolarHBondContact O-N 2.93Å; G1369-R1373 VanDerWaalsContact O-N 3.12Å; I1370-R1373 PolarHBondContact O-N 3.26Å; I1370-R1373 VanDerWaalsContact O-N 3.13Å; E1371-R1373 VanDerWaalsContact C-N 3.3Å; E1371-R1373 PolarHBondContact O-N 2.99Å; R1373-A1375 VanDerWaalsContact C-N 3.29Å; R1373-A1375 PolarHBondContact O-N 3.04Å; R1373-N1376 PolarHBondContact O-N 3.19Å; R1373-D1377 WeakPolarHBondContact O-CB 3.01Å; R1373-D1377 PolarHBondContact O-N 3.39Å; R1373-Y1521 HydrophobicContact CB-CE1 4.37Å |
| 1374 | I | 73.4 | Confident | 70.6 | Confident | 25 Ų | 25 | 80.3 Ų | 80.3 | 13% | 0.128 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -59.9 | -42.9 | 177 | -68 | 169.6 | 0 | 0 | 0 | 110.2 | I1370 E1371 D1377 K1378 V1410 Y1521 | I1370-I1374 HydrophobicContact CG2-CD1 3.7Å; I1370-I1374 HydrophobicContact CG2-CG1 4.35Å; I1370-I1374 WeakPolarHBondContact O-CG1 3.04Å; I1370-I1374 PolarHBondContact O-N 3.28Å; E1371-I1374 PolarHBondContact O-N 3Å; I1374-D1377 PolarHBondContact O-N 2.78Å; I1374-K1378 VanDerWaalsContact O-CB 3.29Å; I1374-K1378 WeakPolarHBondContact O-CB 3Å; I1374-K1378 PolarHBondContact O-N 3.45Å; I1374-V1410 HydrophobicContact CD1-CB 4.42Å; I1374-V1410 HydrophobicContact CD1-CG1 4.34Å; I1374-V1410 HydrophobicContact CD1-CG2 3.78Å; I1374-Y1521 HydrophobicContact CG1-CE2 3.8Å |
| 1375 | A | 75 | Confident | 69.2 | Low | 48 Ų | 48 | 79.5 Ų | 79.5 | 40% | 0.397 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -62.8 | -45.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | E1371 R1373 K1378 I1379 | E1371-A1375 WeakPolarHBondContact O-CB 3.36Å; E1371-A1375 PolarHBondContact O-N 3.15Å; R1373-A1375 VanDerWaalsContact C-N 3.29Å; R1373-A1375 PolarHBondContact O-N 3.04Å; A1375-K1378 PolarHBondContact O-N 3.25Å; A1375-I1379 VanDerWaalsContact O-CG1 3.3Å; A1375-I1379 WeakPolarHBondContact O-CG1 3.12Å; A1375-I1379 PolarHBondContact O-N 3.14Å |
| 1376 | N | 71.5 | Confident | 68.1 | Low | 102 Ų | 102 | 82.3 Ų | 82.3 | 55% | 0.545 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -63.6 | -43.5 | 177 | -79.4 | -16.7 | 0 | 0 | 0 | 112.4 | K1372 R1373 K1378 I1379 L1380 | K1372-N1376 WeakPolarHBondContact O-CB 3.45Å; K1372-N1376 VanDerWaalsContact O-CG 3.28Å; K1372-N1376 PolarHBondContact O-N 3.46Å; K1372-N1376 PolarHBondContact O-ND2 3.5Å; R1373-N1376 PolarHBondContact O-N 3.19Å; N1376-K1378 VanDerWaalsContact C-N 3.32Å; N1376-K1378 PolarHBondContact O-N 3.03Å; N1376-I1379 PolarHBondContact O-N 3.24Å; N1376-L1380 WeakPolarHBondContact O-CB 3.02Å; N1376-L1380 PolarHBondContact O-N 3.49Å |
| 1377 | D | 66.5 | Low | 67.4 | Low | 55 Ų | 55 | 87.4 Ų | 87.4 | 29% | 0.294 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -66.6 | -37.4 | 178.9 | -75.1 | -3 | 0 | 0 | 0 | 110.2 | R1373 I1374 L1380 L1381 Y1521 Q1525 | R1373-D1377 WeakPolarHBondContact O-CB 3.01Å; R1373-D1377 PolarHBondContact O-N 3.39Å; I1374-D1377 PolarHBondContact O-N 2.78Å; D1377-L1380 PolarHBondContact O-N 3.37Å; D1377-L1381 VanDerWaalsContact O-CB 3.23Å; D1377-L1381 WeakPolarHBondContact O-CB 3.15Å; D1377-L1381 PolarHBondContact O-N 3.25Å; D1377-Y1521 PolarHBondContact OD2-OH 3.19Å; D1377-Q1525 PolarHBondContact OD2-NE2 3.39Å |
| 1378 | K | 70.8 | Confident | 66.2 | Low | 123 Ų | 123 | 89.4 Ų | 89.4 | 54% | 0.535 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -61.2 | -44.4 | 171.9 | -166.1 | 176.5 | -176.8 | 179.3 | 0 | 112.3 | I1374 A1375 N1376 L1381 D1382 | I1374-K1378 VanDerWaalsContact O-CB 3.29Å; I1374-K1378 WeakPolarHBondContact O-CB 3Å; I1374-K1378 PolarHBondContact O-N 3.45Å; A1375-K1378 PolarHBondContact O-N 3.25Å; N1376-K1378 VanDerWaalsContact C-N 3.32Å; N1376-K1378 PolarHBondContact O-N 3.03Å; K1378-L1381 WeakPolarHBondContact O-CB 3.48Å; K1378-L1381 PolarHBondContact O-N 3.18Å; K1378-D1382 PolarHBondContact O-N 3.2Å |
| 1379 | I | 68.5 | Low | 65.1 | Low | 88 Ų | 88 | 94.3 Ų | 94.3 | 45% | 0.451 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -63.7 | -42.9 | 175.1 | -67.8 | 163.1 | 0 | 0 | 0 | 111.4 | A1375 N1376 L1381 D1382 K1383 | A1375-I1379 VanDerWaalsContact O-CG1 3.3Å; A1375-I1379 WeakPolarHBondContact O-CG1 3.12Å; A1375-I1379 PolarHBondContact O-N 3.14Å; N1376-I1379 PolarHBondContact O-N 3.24Å; I1379-L1381 VanDerWaalsContact C-N 3.27Å; I1379-L1381 PolarHBondContact O-N 2.67Å; I1379-D1382 PolarHBondContact O-N 3.04Å; I1379-K1383 PolarHBondContact O-N 3.14Å |
| 1380 | L | 62.2 | Low | 64 | Low | 93 Ų | 93 | 100 Ų | 100 | 49% | 0.487 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.1 | -40.7 | 177.7 | -161.3 | 82.4 | 0 | 0 | 0 | 110.2 | N1376 D1377 K1383 F1384 | N1376-L1380 WeakPolarHBondContact O-CB 3.02Å; N1376-L1380 PolarHBondContact O-N 3.49Å; D1377-L1380 PolarHBondContact O-N 3.37Å; L1380-K1383 PolarHBondContact O-N 3.35Å; L1380-F1384 HydrophobicContact CG-CD2 4.45Å; L1380-F1384 HydrophobicContact CG-CE2 4.46Å; L1380-F1384 WeakPolarHBondContact O-CD2 3.27Å; L1380-F1384 PolarHBondContact O-N 3.44Å |
| 1381 | L | 60.1 | Low | 62.8 | Low | 29 Ų | 29 | 103.1 Ų | 103.1 | 15% | 0.152 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -64.6 | -45.4 | 177.5 | -155.2 | 75.4 | 0 | 0 | 0 | 111.9 | D1377 K1378 I1379 K1383 F1384 Y1385 I1403 | D1377-L1381 VanDerWaalsContact O-CB 3.23Å; D1377-L1381 WeakPolarHBondContact O-CB 3.15Å; D1377-L1381 PolarHBondContact O-N 3.25Å; K1378-L1381 WeakPolarHBondContact O-CB 3.48Å; K1378-L1381 PolarHBondContact O-N 3.18Å; I1379-L1381 VanDerWaalsContact C-N 3.27Å; I1379-L1381 PolarHBondContact O-N 2.67Å; L1381-K1383 VanDerWaalsContact C-N 3.3Å; L1381-K1383 PolarHBondContact O-N 2.96Å; L1381-F1384 WeakPolarHBondContact O-CB 3.3Å; L1381-F1384 PolarHBondContact O-N 3.48Å; L1381-F1384 VanDerWaalsContact O-N 3.16Å; L1381-Y1385 PolarHBondContact O-N 3.25Å; L1381-Y1385 VanDerWaalsContact O-N 3.08Å; L1381-I1403 HydrophobicContact CD2-CD1 3.58Å |
| 1382 | D | 63.9 | Low | 61.4 | Low | 94 Ų | 94 | 104.5 Ų | 104.5 | 50% | 0.503 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.3 | -37.9 | 175.1 | -72.4 | -22.1 | 0 | 0 | 0 | 111.6 | K1378 I1379 Y1385 E1386 | K1378-D1382 PolarHBondContact O-N 3.2Å; I1379-D1382 PolarHBondContact O-N 3.04Å; D1382-Y1385 WeakPolarHBondContact O-CB 3.37Å; D1382-Y1385 PolarHBondContact O-N 3.25Å; D1382-E1386 PolarHBondContact O-N 3.09Å |
| 1383 | K | 59.9 | Low | 60.4 | Low | 141 Ų | 141 | 101.6 Ų | 101.6 | 61% | 0.613 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -67.8 | -34.4 | 174.4 | -79.5 | -180 | 177.8 | 176.8 | 0 | 113.4 | I1379 L1380 L1381 Y1385 | I1379-K1383 PolarHBondContact O-N 3.14Å; L1380-K1383 PolarHBondContact O-N 3.35Å; L1381-K1383 VanDerWaalsContact C-N 3.3Å; L1381-K1383 PolarHBondContact O-N 2.96Å; K1383-Y1385 VanDerWaalsContact C-N 3.25Å |
| 1384 | F | 56.3 | Low | 59.7 | Low | 131 Ų | 131 | 102.1 Ų | 102.1 | 58% | 0.575 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65.6 | -33.6 | 172.2 | -97.7 | -80 | 0 | 0 | 0 | 111.3 | L1380 L1381 K1387 L1388 | L1380-F1384 HydrophobicContact CG-CD2 4.45Å; L1380-F1384 HydrophobicContact CG-CE2 4.46Å; L1380-F1384 WeakPolarHBondContact O-CD2 3.27Å; L1380-F1384 PolarHBondContact O-N 3.44Å; L1381-F1384 WeakPolarHBondContact O-CB 3.3Å; L1381-F1384 PolarHBondContact O-N 3.48Å; L1381-F1384 VanDerWaalsContact O-N 3.16Å; F1384-K1387 PolarHBondContact O-N 2.05Å; F1384-L1388 HydrophobicContact CD1-CD1 4.48Å |
| 1385 | Y | 49.6 | Very low | 58.7 | Low | 88 Ų | 88 | 102.1 Ų | 102.1 | 35% | 0.345 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.1 | -42.2 | 179 | -137.9 | -71.6 | 0 | 0 | 0 | 113.3 | L1381 D1382 K1383 K1387 L1388 H1395 | L1381-Y1385 PolarHBondContact O-N 3.25Å; L1381-Y1385 VanDerWaalsContact O-N 3.08Å; D1382-Y1385 WeakPolarHBondContact O-CB 3.37Å; D1382-Y1385 PolarHBondContact O-N 3.25Å; K1383-Y1385 VanDerWaalsContact C-N 3.25Å; Y1385-K1387 PolarHBondContact O-N 3.15Å; Y1385-K1387 VanDerWaalsContact O-N 3.12Å; Y1385-L1388 PolarHBondContact O-N 2.03Å; Y1385-H1395 AromaticContact CD2-NE2 3.71Å; Y1385-H1395 AromaticContact CE2-CD2 3.26Å; Y1385-H1395 WeakPolarHBondContact CE2-CD2 3.38Å; Y1385-H1395 AromaticContact CE2-NE2 3.3Å; Y1385-H1395 VanDerWaalsContact CE2-NE2 3.3Å; Y1385-H1395 WeakPolarHBondContact CE2-NE2 3.09Å |
| 1386 | E | 54.1 | Low | 57.6 | Low | 186 Ų | 186 | 104.4 Ų | 104.4 | 87% | 0.869 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -21.5 | 177.7 | -87.1 | -166.1 | 159.3 | 0 | 0 | 113.5 | D1382 | D1382-E1386 PolarHBondContact O-N 3.09Š|
| 1387 | K | 57.3 | Low | 57.1 | Low | 182 Ų | 182 | 105.4 Ų | 105.4 | 79% | 0.791 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | -11.8 | -177.3 | -78.3 | -175.7 | 174.7 | -178.3 | 0 | 114.6 | F1384 Y1385 | F1384-K1387 PolarHBondContact O-N 2.05Å; Y1385-K1387 PolarHBondContact O-N 3.15Å; Y1385-K1387 VanDerWaalsContact O-N 3.12Å |
| 1388 | L | 53 | Low | 56.8 | Low | 51 Ų | 51 | 107.3 Ų | 107.3 | 27% | 0.267 | 53% | 0.525 | S | S | . | . | trans | -139.8 | 92.1 | -162.6 | -83.5 | 158.3 | 0 | 0 | 0 | 114 | F1384 Y1385 L1391 I1534 | F1384-L1388 HydrophobicContact CD1-CD1 4.48Å; Y1385-L1388 PolarHBondContact O-N 2.03Å; L1388-L1391 HydrophobicContact CD1-CD1 4.2Å; L1388-L1391 HydrophobicContact CD2-CD1 4.3Å; L1388-I1534 HydrophobicContact CD1-CD1 3.61Å; L1388-I1534 HydrophobicContact CD2-CD1 3.5Å; L1388-I1534 HydrophobicContact CG-CD1 4.16Å | ||
| 1389 | T | 52.3 | Low | 56.2 | Low | 129 Ų | 129 | 104 Ų | 104 | 79% | 0.791 | 51% | 0.512 | S | S | * | . | S | Bend | trans | -70.2 | -29.2 | 172.8 | 5.7 | 0 | 0 | 0 | 0 | 113.8 | K1392 | T1389-K1392 WeakPolarHBondContact O-CB 3.5Š|
| 1390 | D | 52.3 | Low | 56 | Low | 154 Ų | 154 | 102.7 Ų | 102.7 | 82% | 0.824 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | -20.4 | -171.6 | -82.3 | -3.9 | 0 | 0 | 0 | 114.8 | K1392 | D1390-K1392 VanDerWaalsContact C-N 3.28Å; D1390-K1392 PolarHBondContact O-N 2.84Å |
| 1391 | L | 48.7 | Very low | 56.3 | Low | 86 Ų | 86 | 100.3 Ų | 100.3 | 45% | 0.45 | 50% | 0.496 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | 1.2 | 177.6 | -99.3 | 159.7 | 0 | 0 | 0 | 113.6 | L1388 T1393 K1394 H1395 I1534 | L1388-L1391 HydrophobicContact CD1-CD1 4.2Å; L1388-L1391 HydrophobicContact CD2-CD1 4.3Å; L1391-T1393 VanDerWaalsContact C-N 3.31Å; L1391-T1393 PolarHBondContact O-N 3.38Å; L1391-K1394 PolarHBondContact O-N 3.19Å; L1391-H1395 WeakPolarHBondContact O-CB 3.42Å; L1391-H1395 PolarHBondContact O-N 2.89Å; L1391-I1534 HydrophobicContact CD1-CD1 4.01Å |
| 1392 | K | 48.4 | Very low | 56.5 | Low | 107 Ų | 107 | 102.9 Ų | 102.9 | 47% | 0.465 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -50.8 | -44.2 | -174.1 | -168.2 | 179.9 | -179.4 | -175.7 | 0 | 113.6 | T1389 D1390 E1396 | T1389-K1392 WeakPolarHBondContact O-CB 3.5Å; D1390-K1392 VanDerWaalsContact C-N 3.28Å; D1390-K1392 PolarHBondContact O-N 2.84Å; K1392-E1396 WeakPolarHBondContact CE-OE1 3.04Å; K1392-E1396 PolarHBondContact O-N 2.9Å |
| 1393 | T | 55.5 | Low | 56.6 | Low | 94 Ų | 94 | 101.1 Ų | 101.1 | 58% | 0.577 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -73.6 | -41.6 | -172.2 | -4.7 | 0 | 0 | 0 | 0 | 113.6 | L1391 H1395 L1397 | L1391-T1393 VanDerWaalsContact C-N 3.31Å; L1391-T1393 PolarHBondContact O-N 3.38Å; T1393-H1395 VanDerWaalsContact C-N 3.29Å; T1393-L1397 WeakPolarHBondContact O-CB 3.44Å; T1393-L1397 PolarHBondContact O-N 2.86Å |
| 1394 | K | 53.9 | Low | 57.1 | Low | 138 Ų | 138 | 100.2 Ų | 100.2 | 60% | 0.6 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -73 | -30.6 | 180 | -151.6 | 171.9 | -172.4 | -177.5 | 0 | 111 | L1391 D1398 | L1391-K1394 PolarHBondContact O-N 3.19Å; K1394-D1398 WeakPolarHBondContact CG-OD2 3.12Å; K1394-D1398 WeakPolarHBondContact O-CB 3.43Å; K1394-D1398 PolarHBondContact O-N 3.01Å; K1394-D1398 VanDerWaalsContact O-N 3.13Å |
| 1395 | H | 52.1 | Low | 57.8 | Low | 26 Ų | 26 | 99.6 Ų | 99.6 | 12% | 0.12 | 49% | 0.492 | C | S | . | . | I | π-helix | trans | -68.3 | -48.4 | 174.3 | -177.8 | 87 | 0 | 0 | 0 | 113.3 | Y1385 L1391 T1393 L1397 I1399 L1400 | Y1385-H1395 AromaticContact CD2-NE2 3.71Å; Y1385-H1395 AromaticContact CE2-CD2 3.26Å; Y1385-H1395 WeakPolarHBondContact CE2-CD2 3.38Å; Y1385-H1395 AromaticContact CE2-NE2 3.3Å; Y1385-H1395 VanDerWaalsContact CE2-NE2 3.3Å; Y1385-H1395 WeakPolarHBondContact CE2-NE2 3.09Å; L1391-H1395 WeakPolarHBondContact O-CB 3.42Å; L1391-H1395 PolarHBondContact O-N 2.89Å; T1393-H1395 VanDerWaalsContact C-N 3.29Å; H1395-L1397 VanDerWaalsContact C-N 3.32Å; H1395-L1397 PolarHBondContact O-N 2.78Å; H1395-I1399 PolarHBondContact O-N 3.45Å; H1395-L1400 WeakPolarHBondContact NE2-CD1 3.29Å; H1395-L1400 PolarHBondContact O-N 2.78Å |
| 1396 | E | 53.4 | Low | 58.6 | Low | 95 Ų | 95 | 96.5 Ų | 96.5 | 44% | 0.444 | 48% | 0.481 | S | S | . | . | I | π-helix | trans | -63.6 | -34.5 | 178.8 | -82.2 | 177.5 | 174.2 | 0 | 0 | 112.9 | K1392 | K1392-E1396 WeakPolarHBondContact CE-OE1 3.04Å; K1392-E1396 PolarHBondContact O-N 2.9Å |
| 1397 | L | 60.8 | Low | 59.3 | Low | 124 Ų | 124 | 89.7 Ų | 89.7 | 65% | 0.649 | 45% | 0.454 | S | S | * | . | I | π-helix | trans | -89 | -38.8 | -174.3 | -87.6 | 152 | 0 | 0 | 0 | 114.7 | T1393 H1395 P1401 | T1393-L1397 WeakPolarHBondContact O-CB 3.44Å; T1393-L1397 PolarHBondContact O-N 2.86Å; H1395-L1397 VanDerWaalsContact C-N 3.32Å; H1395-L1397 PolarHBondContact O-N 2.78Å; L1397-P1401 WeakPolarHBondContact O-CG 3.45Å |
| 1398 | D | 59.2 | Low | 60.2 | Low | 95 Ų | 95 | 88 Ų | 88 | 51% | 0.508 | 45% | 0.449 | S | S | . | . | I | π-helix | trans | -107.3 | -41.1 | -167.4 | -60.5 | -25.9 | 0 | 0 | 0 | 113.4 | K1394 | K1394-D1398 WeakPolarHBondContact CG-OD2 3.12Å; K1394-D1398 WeakPolarHBondContact O-CB 3.43Å; K1394-D1398 PolarHBondContact O-N 3.01Å; K1394-D1398 VanDerWaalsContact O-N 3.13Å |
| 1399 | I | 58 | Low | 61.1 | Low | 53 Ų | 53 | 90 Ų | 90 | 27% | 0.272 | 46% | 0.459 | S | S | . | . | I | π-helix | trans | -96.9 | -47.4 | -168.1 | -58.8 | 179.2 | 0 | 0 | 0 | 111.8 | H1395 P1401 E1402 I1403 L1531 | H1395-I1399 PolarHBondContact O-N 3.45Å; I1399-P1401 VanDerWaalsContact C-CD 3.49Å; I1399-E1402 PolarHBondContact O-N 3.33Å; I1399-I1403 HydrophobicContact CG2-CD1 3.85Å; I1399-I1403 HydrophobicContact CG2-CG1 4.37Å; I1399-I1403 PolarHBondContact O-N 3.4Å; I1399-I1403 VanDerWaalsContact O-N 3.07Å; I1399-L1531 HydrophobicContact CD1-CD1 4.08Å |
| 1400 | L | 64.2 | Low | 62 | Low | 60 Ų | 60 | 84.3 Ų | 84.3 | 31% | 0.314 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -59.2 | -42.2 | -177.1 | -152.9 | 88.9 | 0 | 0 | 0 | 113 | H1395 E1402 I1403 Q1404 | H1395-L1400 WeakPolarHBondContact NE2-CD1 3.29Å; H1395-L1400 PolarHBondContact O-N 2.78Å; L1400-E1402 VanDerWaalsContact C-N 3.33Å; L1400-E1402 PolarHBondContact O-N 3.07Å; L1400-I1403 PolarHBondContact O-N 3.46Å; L1400-Q1404 WeakPolarHBondContact O-CB 3.49Å; L1400-Q1404 WeakPolarHBondContact O-CG 3.32Å; L1400-Q1404 PolarHBondContact O-N 2.9Å |
| 1401 | P | 69 | Low | 63.2 | Low | 44 Ų | 44 | 80.5 Ų | 80.5 | 29% | 0.286 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -64.2 | -36.5 | 178.1 | -22.6 | 35.6 | 0 | 0 | 0 | 112.8 | L1397 I1399 Q1404 K1405 | L1397-P1401 WeakPolarHBondContact O-CG 3.45Å; I1399-P1401 VanDerWaalsContact C-CD 3.49Å; P1401-Q1404 PolarHBondContact O-N 3.11Å; P1401-K1405 WeakPolarHBondContact O-CG 3.39Å; P1401-K1405 PolarHBondContact O-N 2.66Å |
| 1402 | E | 65.3 | Low | 64.5 | Low | 82 Ų | 82 | 78.3 Ų | 78.3 | 38% | 0.383 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -70.2 | -42.3 | 178.1 | -70.8 | -57.1 | 128.4 | 0 | 0 | 111.4 | I1399 L1400 Q1404 K1405 I1406 | I1399-E1402 PolarHBondContact O-N 3.33Å; L1400-E1402 VanDerWaalsContact C-N 3.33Å; L1400-E1402 PolarHBondContact O-N 3.07Å; E1402-Q1404 VanDerWaalsContact C-N 3.29Å; E1402-Q1404 PolarHBondContact O-N 3.3Å; E1402-K1405 PolarHBondContact O-N 3.2Å; E1402-K1405 IonicContact OE1-NZ 2.99Å; E1402-K1405 PolarHBondContact OE1-NZ 3Å; E1402-I1406 WeakPolarHBondContact O-CB 3.37Å; E1402-I1406 WeakPolarHBondContact O-CD1 3.43Å; E1402-I1406 WeakPolarHBondContact O-CG1 3.49Å; E1402-I1406 PolarHBondContact O-N 2.91Å |
| 1403 | I | 65.4 | Low | 65.6 | Low | 57 Ų | 57 | 74 Ų | 74 | 29% | 0.292 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -61.2 | -39.5 | 172.9 | -66 | 176.1 | 0 | 0 | 0 | 111.1 | L1381 I1399 L1400 I1406 S1407 | L1381-I1403 HydrophobicContact CD2-CD1 3.58Å; I1399-I1403 HydrophobicContact CG2-CD1 3.85Å; I1399-I1403 HydrophobicContact CG2-CG1 4.37Å; I1399-I1403 PolarHBondContact O-N 3.4Å; I1399-I1403 VanDerWaalsContact O-N 3.07Å; L1400-I1403 PolarHBondContact O-N 3.46Å; I1403-I1406 PolarHBondContact O-N 3.45Å; I1403-S1407 WeakPolarHBondContact O-CB 3.4Å; I1403-S1407 PolarHBondContact O-N 3.31Å |
| 1404 | Q | 71.2 | Confident | 66.6 | Low | 122 Ų | 122 | 71.4 Ų | 71.4 | 57% | 0.57 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -65.1 | -43.4 | 176.2 | -76.4 | 177.4 | -6.2 | 0 | 0 | 112.3 | L1400 P1401 E1402 S1407 H1408 | L1400-Q1404 WeakPolarHBondContact O-CB 3.49Å; L1400-Q1404 WeakPolarHBondContact O-CG 3.32Å; L1400-Q1404 PolarHBondContact O-N 2.9Å; P1401-Q1404 PolarHBondContact O-N 3.11Å; E1402-Q1404 VanDerWaalsContact C-N 3.29Å; E1402-Q1404 PolarHBondContact O-N 3.3Å; Q1404-S1407 PolarHBondContact O-N 2.86Å; Q1404-H1408 PolarHBondContact O-N 2.98Å |
| 1405 | K | 69.9 | Low | 67.9 | Low | 118 Ų | 118 | 69.1 Ų | 69.1 | 51% | 0.513 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -58.7 | -47.4 | 172.8 | -80.2 | 179.2 | -172.8 | 163.1 | 0 | 111.4 | P1401 E1402 S1407 H1408 I1409 | P1401-K1405 WeakPolarHBondContact O-CG 3.39Å; P1401-K1405 PolarHBondContact O-N 2.66Å; E1402-K1405 PolarHBondContact O-N 3.2Å; E1402-K1405 IonicContact OE1-NZ 2.99Å; E1402-K1405 PolarHBondContact OE1-NZ 3Å; K1405-S1407 PolarHBondContact O-N 3.04Å; K1405-H1408 WeakPolarHBondContact O-CB 3.28Å; K1405-H1408 PolarHBondContact O-N 2.92Å; K1405-H1408 VanDerWaalsContact O-N 3.12Å; K1405-I1409 WeakPolarHBondContact O-CG1 3.31Å; K1405-I1409 PolarHBondContact O-N 3.5Å |
| 1406 | I | 66.6 | Low | 68.9 | Low | 24 Ų | 24 | 72.1 Ų | 72.1 | 12% | 0.123 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -60.6 | -46.2 | 179.4 | -69.7 | 164.4 | 0 | 0 | 0 | 110.5 | E1402 I1403 H1408 I1409 V1410 F1517 L1524 | E1402-I1406 WeakPolarHBondContact O-CB 3.37Å; E1402-I1406 WeakPolarHBondContact O-CD1 3.43Å; E1402-I1406 WeakPolarHBondContact O-CG1 3.49Å; E1402-I1406 PolarHBondContact O-N 2.91Å; I1403-I1406 PolarHBondContact O-N 3.45Å; I1406-H1408 VanDerWaalsContact C-N 3.26Å; I1406-H1408 PolarHBondContact O-N 2.65Å; I1406-I1409 PolarHBondContact O-N 3.2Å; I1406-V1410 WeakPolarHBondContact O-CG2 3.4Å; I1406-V1410 PolarHBondContact O-N 2.88Å; I1406-F1517 HydrophobicContact CG2-CE2 3.77Å; I1406-F1517 HydrophobicContact CG2-CZ 3.47Å; I1406-F1517 VanDerWaalsContact CG2-CZ 3.47Å; I1406-L1524 HydrophobicContact CD1-CD1 3.26Å; I1406-L1524 HydrophobicContact CG1-CD1 4.42Å |
| 1407 | S | 69.8 | Low | 69.9 | Low | 42 Ų | 42 | 67.7 Ų | 67.7 | 29% | 0.294 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -60 | -36.8 | 175.9 | -174.3 | 0 | 0 | 0 | 0 | 111.9 | I1403 Q1404 K1405 N1411 | I1403-S1407 WeakPolarHBondContact O-CB 3.4Å; I1403-S1407 PolarHBondContact O-N 3.31Å; Q1404-S1407 PolarHBondContact O-N 2.86Å; K1405-S1407 PolarHBondContact O-N 3.04Å; S1407-N1411 PolarHBondContact O-N 3.28Å; S1407-N1411 PolarHBondContact O-ND2 2.86Å; S1407-N1411 PolarHBondContact O-OD1 3Å |
| 1408 | H | 76.1 | Confident | 70.7 | Confident | 147 Ų | 147 | 65.1 Ų | 65.1 | 68% | 0.681 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -69.7 | -40.5 | 177.9 | -159 | 42.5 | 0 | 0 | 0 | 112.2 | Q1404 K1405 I1406 N1411 G1412 | Q1404-H1408 PolarHBondContact O-N 2.98Å; K1405-H1408 WeakPolarHBondContact O-CB 3.28Å; K1405-H1408 PolarHBondContact O-N 2.92Å; K1405-H1408 VanDerWaalsContact O-N 3.12Å; I1406-H1408 VanDerWaalsContact C-N 3.26Å; I1406-H1408 PolarHBondContact O-N 2.65Å; H1408-N1411 PolarHBondContact O-N 3.39Å; H1408-G1412 PolarHBondContact O-N 2.92Å |
| 1409 | I | 70.9 | Confident | 71.6 | Confident | 94 Ų | 94 | 67 Ų | 67 | 48% | 0.482 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -61.7 | -46.5 | 174.4 | -66.8 | 165.4 | 0 | 0 | 0 | 110.4 | K1405 I1406 N1411 G1412 I1413 F1517 | K1405-I1409 WeakPolarHBondContact O-CG1 3.31Å; K1405-I1409 PolarHBondContact O-N 3.5Å; I1406-I1409 PolarHBondContact O-N 3.2Å; I1409-N1411 VanDerWaalsContact C-N 3.34Å; I1409-N1411 PolarHBondContact O-N 3.34Å; I1409-G1412 PolarHBondContact O-N 3.43Å; I1409-I1413 HydrophobicContact CG2-CD1 3.95Å; I1409-I1413 HydrophobicContact CG2-CG1 4.49Å; I1409-I1413 WeakPolarHBondContact O-CG1 3.46Å; I1409-I1413 PolarHBondContact O-N 3.18Å; I1409-F1517 HydrophobicContact CG2-CD2 4.29Å; I1409-F1517 HydrophobicContact CG2-CE2 4.35Å |
| 1410 | V | 72.5 | Confident | 72.5 | Confident | 8 Ų | 8 | 64.8 Ų | 64.8 | 5% | 0.048 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61.1 | -43.3 | 178.4 | 172.1 | 0 | 0 | 0 | 0 | 111.4 | E1371 I1374 I1406 G1412 I1413 N1414 F1517 | E1371-V1410 HydrophobicContact CG-CG1 4.48Å; I1374-V1410 HydrophobicContact CD1-CB 4.42Å; I1374-V1410 HydrophobicContact CD1-CG1 4.34Å; I1374-V1410 HydrophobicContact CD1-CG2 3.78Å; I1406-V1410 WeakPolarHBondContact O-CG2 3.4Å; I1406-V1410 PolarHBondContact O-N 2.88Å; V1410-G1412 VanDerWaalsContact C-N 3.31Å; V1410-G1412 PolarHBondContact O-N 3.5Å; V1410-I1413 PolarHBondContact O-N 3.06Å; V1410-N1414 WeakPolarHBondContact O-CB 3.14Å; V1410-N1414 PolarHBondContact O-N 3.35Å; V1410-F1517 HydrophobicContact CG2-CD1 4.44Å; V1410-F1517 HydrophobicContact CG2-CD2 4.48Å; V1410-F1517 HydrophobicContact CG2-CE1 3.57Å; V1410-F1517 HydrophobicContact CG2-CE2 3.6Å; V1410-F1517 HydrophobicContact CG2-CZ 3.06Å |
| 1411 | N | 76.1 | Confident | 73.1 | Confident | 75 Ų | 75 | 63.1 Ų | 63.1 | 40% | 0.401 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -61.9 | -40.2 | 176.5 | -68.7 | -10.9 | 0 | 0 | 0 | 111.6 | S1407 H1408 I1409 N1414 D1415 | S1407-N1411 PolarHBondContact O-N 3.28Å; S1407-N1411 PolarHBondContact O-ND2 2.86Å; S1407-N1411 PolarHBondContact O-OD1 3Å; H1408-N1411 PolarHBondContact O-N 3.39Å; I1409-N1411 VanDerWaalsContact C-N 3.34Å; I1409-N1411 PolarHBondContact O-N 3.34Å; N1411-N1414 WeakPolarHBondContact O-CB 3.47Å; N1411-N1414 PolarHBondContact O-N 3.03Å; N1411-D1415 PolarHBondContact O-N 3.33Å |
| 1412 | G | 75.9 | Confident | 73.7 | Confident | 39 Ų | 39 | 67.2 Ų | 67.2 | 40% | 0.402 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -63.6 | -42.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | H1408 I1409 V1410 N1414 D1415 E1416 | H1408-G1412 PolarHBondContact O-N 2.92Å; I1409-G1412 PolarHBondContact O-N 3.43Å; V1410-G1412 VanDerWaalsContact C-N 3.31Å; V1410-G1412 PolarHBondContact O-N 3.5Å; G1412-N1414 VanDerWaalsContact C-N 3.32Å; G1412-D1415 PolarHBondContact O-N 2.75Å; G1412-E1416 PolarHBondContact O-N 3.22Å; G1412-E1416 VanDerWaalsContact O-N 3.15Å |
| 1413 | I | 72.7 | Confident | 74.2 | Confident | 18 Ų | 18 | 65 Ų | 65 | 9% | 0.092 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64.4 | -39.4 | 174.2 | -64.6 | 170.7 | 0 | 0 | 0 | 110.2 | L1367 I1409 V1410 E1416 T1417 I1514 | L1367-I1413 HydrophobicContact CD1-CG2 3.99Å; I1409-I1413 HydrophobicContact CG2-CD1 3.95Å; I1409-I1413 HydrophobicContact CG2-CG1 4.49Å; I1409-I1413 WeakPolarHBondContact O-CG1 3.46Å; I1409-I1413 PolarHBondContact O-N 3.18Å; V1410-I1413 PolarHBondContact O-N 3.06Å; I1413-E1416 PolarHBondContact O-N 3.39Å; I1413-T1417 VanDerWaalsContact O-CB 3.29Å; I1413-T1417 WeakPolarHBondContact O-CB 3.27Å; I1413-T1417 PolarHBondContact O-N 3.43Å; I1413-T1417 PolarHBondContact O-OG1 3.43Å; I1413-I1514 HydrophobicContact CG2-CD1 4.42Å; I1413-I1514 HydrophobicContact CG2-CG1 4.02Å |
| 1414 | N | 76.4 | Confident | 74.8 | Confident | 38 Ų | 38 | 62.4 Ų | 62.4 | 20% | 0.203 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.9 | -47.2 | 177.8 | -167.3 | 29.5 | 0 | 0 | 0 | 111.5 | L1367 E1371 V1410 N1411 G1412 E1416 T1417 I1418 | L1367-N1414 HydrophobicContact CD2-CB 3.65Å; L1367-N1414 WeakPolarHBondContact CD2-OD1 3.46Å; E1371-N1414 PolarHBondContact OE1-ND2 3.44Å; V1410-N1414 WeakPolarHBondContact O-CB 3.14Å; V1410-N1414 PolarHBondContact O-N 3.35Å; N1411-N1414 WeakPolarHBondContact O-CB 3.47Å; N1411-N1414 PolarHBondContact O-N 3.03Å; G1412-N1414 VanDerWaalsContact C-N 3.32Å; N1414-E1416 VanDerWaalsContact C-N 3.32Å; N1414-E1416 PolarHBondContact O-N 3.03Å; N1414-T1417 WeakPolarHBondContact O-CB 3.29Å; N1414-T1417 PolarHBondContact O-N 3Å; N1414-T1417 VanDerWaalsContact O-N 3.11Å; N1414-I1418 VanDerWaalsContact O-CG1 3.3Å; N1414-I1418 WeakPolarHBondContact O-CG1 3.35Å; N1414-I1418 PolarHBondContact O-N 3.45Å |
| 1415 | D | 79.5 | Confident | 75.4 | Confident | 90 Ų | 90 | 58.4 Ų | 58.4 | 48% | 0.481 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60.3 | -40.6 | 177.1 | -71.4 | -18.1 | 0 | 0 | 0 | 112.3 | N1411 G1412 R1419 | N1411-D1415 PolarHBondContact O-N 3.33Å; G1412-D1415 PolarHBondContact O-N 2.75Å; D1415-R1419 WeakPolarHBondContact O-CG 3.09Å; D1415-R1419 PolarHBondContact O-N 3.25Å |
| 1416 | E | 74.5 | Confident | 76 | Confident | 89 Ų | 89 | 57.5 Ų | 57.5 | 42% | 0.416 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.6 | -44.6 | 173.6 | -162.3 | 81 | -172.1 | 0 | 0 | 111.1 | G1412 I1413 N1414 R1419 I1420 L1510 | G1412-E1416 PolarHBondContact O-N 3.22Å; G1412-E1416 VanDerWaalsContact O-N 3.15Å; I1413-E1416 PolarHBondContact O-N 3.39Å; N1414-E1416 VanDerWaalsContact C-N 3.32Å; N1414-E1416 PolarHBondContact O-N 3.03Å; E1416-R1419 PolarHBondContact O-N 3.1Å; E1416-R1419 IonicContact OE2-CZ 3.79Å; E1416-R1419 IonicContact OE2-NH2 3.38Å; E1416-R1419 PolarHBondContact OE2-NH2 2.02Å; E1416-I1420 HydrophobicContact CG-CD1 4.34Å; E1416-I1420 WeakPolarHBondContact O-CG1 3.46Å; E1416-I1420 PolarHBondContact O-N 3.25Å; E1416-I1420 VanDerWaalsContact O-N 3.16Å; E1416-L1510 HydrophobicContact CB-CD1 4.2Å; E1416-L1510 HydrophobicContact CG-CD1 3.89Å |
| 1417 | T | 73.5 | Confident | 76.6 | Confident | 3 Ų | 3 | 56.3 Ų | 56.3 | 2% | 0.018 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.8 | -46.4 | -179.6 | -57.5 | 0 | 0 | 0 | 0 | 111.1 | I1363 I1413 N1414 R1419 I1420 I1421 L1510 | I1363-T1417 HydrophobicContact CG2-CG2 3.63Å; I1413-T1417 VanDerWaalsContact O-CB 3.29Å; I1413-T1417 WeakPolarHBondContact O-CB 3.27Å; I1413-T1417 PolarHBondContact O-N 3.43Å; I1413-T1417 PolarHBondContact O-OG1 3.43Å; N1414-T1417 WeakPolarHBondContact O-CB 3.29Å; N1414-T1417 PolarHBondContact O-N 3Å; N1414-T1417 VanDerWaalsContact O-N 3.11Å; T1417-R1419 VanDerWaalsContact C-N 3.34Å; T1417-R1419 PolarHBondContact O-N 3.13Å; T1417-I1420 PolarHBondContact O-N 2.77Å; T1417-I1420 VanDerWaalsContact O-N 3.14Å; T1417-I1421 HydrophobicContact CG2-CD1 3.75Å; T1417-I1421 HydrophobicContact CG2-CG1 4.28Å; T1417-I1421 VanDerWaalsContact O-CG1 3.29Å; T1417-I1421 WeakPolarHBondContact O-CG1 3.3Å; T1417-I1421 PolarHBondContact O-N 2.5Å; T1417-L1510 HydrophobicContact CG2-CD2 4.25Å |
| 1418 | I | 78.4 | Confident | 77.4 | Confident | 69 Ų | 69 | 56.6 Ų | 56.6 | 35% | 0.354 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -58.1 | -45.7 | 178.4 | -70 | 165.4 | 0 | 0 | 0 | 110.6 | N1414 I1420 I1421 E1422 | N1414-I1418 VanDerWaalsContact O-CG1 3.3Å; N1414-I1418 WeakPolarHBondContact O-CG1 3.35Å; N1414-I1418 PolarHBondContact O-N 3.45Å; I1418-I1420 VanDerWaalsContact C-N 3.3Å; I1418-I1420 PolarHBondContact O-N 3.03Å; I1418-I1421 PolarHBondContact O-N 3.16Å; I1418-E1422 HydrophobicContact CG2-CG 4.39Å; I1418-E1422 WeakPolarHBondContact O-CG 3.29Å; I1418-E1422 PolarHBondContact O-N 3.2Å |
| 1419 | R | 78.4 | Confident | 77.7 | Confident | 134 Ų | 134 | 57.6 Ų | 57.6 | 51% | 0.506 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -60.1 | -40.1 | 177.3 | -73 | -170.8 | -72.5 | -104 | 4.6 | 112.5 | D1415 E1416 T1417 T1423 | D1415-R1419 WeakPolarHBondContact O-CG 3.09Å; D1415-R1419 PolarHBondContact O-N 3.25Å; E1416-R1419 PolarHBondContact O-N 3.1Å; E1416-R1419 IonicContact OE2-CZ 3.79Å; E1416-R1419 IonicContact OE2-NH2 3.38Å; E1416-R1419 PolarHBondContact OE2-NH2 2.02Å; T1417-R1419 VanDerWaalsContact C-N 3.34Å; T1417-R1419 PolarHBondContact O-N 3.13Å; R1419-T1423 WeakPolarHBondContact O-CB 3.01Å; R1419-T1423 PolarHBondContact O-N 3.2Å; R1419-T1423 VanDerWaalsContact O-N 3.17Å; R1419-T1423 PolarHBondContact O-OG1 3Å |
| 1420 | I | 75.5 | Confident | 78.4 | Confident | 8 Ų | 8 | 55.5 Ų | 55.5 | 4% | 0.041 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -67.9 | -44 | 178 | -67.3 | 166.7 | 0 | 0 | 0 | 110.4 | T1360 E1416 T1417 I1418 T1423 A1424 E1506 L1507 L1510 | T1360-I1420 HydrophobicContact CG2-CG2 3.92Å; E1416-I1420 HydrophobicContact CG-CD1 4.34Å; E1416-I1420 WeakPolarHBondContact O-CG1 3.46Å; E1416-I1420 PolarHBondContact O-N 3.25Å; E1416-I1420 VanDerWaalsContact O-N 3.16Å; T1417-I1420 PolarHBondContact O-N 2.77Å; T1417-I1420 VanDerWaalsContact O-N 3.14Å; I1418-I1420 VanDerWaalsContact C-N 3.3Å; I1418-I1420 PolarHBondContact O-N 3.03Å; I1420-T1423 PolarHBondContact O-N 3.45Å; I1420-A1424 WeakPolarHBondContact O-CB 3.4Å; I1420-A1424 PolarHBondContact O-N 3.3Å; I1420-E1506 HydrophobicContact CD1-CB 4.43Å; I1420-L1507 HydrophobicContact CG2-CD1 4.43Å; I1420-L1507 HydrophobicContact CG2-CD2 3.86Å; I1420-L1507 HydrophobicContact CG2-CG 3.86Å; I1420-L1510 HydrophobicContact CD1-CD1 4.07Å; I1420-L1510 HydrophobicContact CD1-CD2 3.9Å; I1420-L1510 HydrophobicContact CD1-CG 4.39Å |
| 1421 | I | 77.4 | Confident | 78.9 | Confident | 25 Ų | 25 | 55.1 Ų | 55.1 | 13% | 0.128 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.1 | -53.2 | 176.5 | -66.9 | 168.9 | 0 | 0 | 0 | 110.8 | T1360 E1364 T1417 I1418 T1423 A1424 D1425 | T1360-I1421 HydrophobicContact CG2-CB 4.39Å; T1360-I1421 HydrophobicContact CG2-CG1 3.75Å; E1364-I1421 HydrophobicContact CB-CD1 4.05Å; E1364-I1421 HydrophobicContact CG-CD1 4.18Å; T1417-I1421 HydrophobicContact CG2-CD1 3.75Å; T1417-I1421 HydrophobicContact CG2-CG1 4.28Å; T1417-I1421 VanDerWaalsContact O-CG1 3.29Å; T1417-I1421 WeakPolarHBondContact O-CG1 3.3Å; T1417-I1421 PolarHBondContact O-N 2.5Å; I1418-I1421 PolarHBondContact O-N 3.16Å; I1421-T1423 PolarHBondContact O-N 2.75Å; I1421-A1424 PolarHBondContact O-N 2.83Å; I1421-A1424 VanDerWaalsContact O-N 3.16Å; I1421-D1425 WeakPolarHBondContact O-CB 3.42Å; I1421-D1425 PolarHBondContact O-N 2.01Å |
| 1422 | E | 81.4 | Confident | 79.3 | Confident | 129 Ų | 129 | 53.7 Ų | 53.7 | 60% | 0.603 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -57 | -37.8 | 179.8 | -73.6 | -178 | 164.7 | 0 | 0 | 112 | I1418 L1426 | I1418-E1422 HydrophobicContact CG2-CG 4.39Å; I1418-E1422 WeakPolarHBondContact O-CG 3.29Å; I1418-E1422 PolarHBondContact O-N 3.2Å; E1422-L1426 WeakPolarHBondContact O-CB 3.01Å; E1422-L1426 PolarHBondContact O-N 3.09Å |
| 1423 | T | 76.1 | Confident | 79.8 | Confident | 35 Ų | 35 | 56.1 Ų | 56.1 | 22% | 0.215 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -76 | -38.5 | 179.2 | -50.3 | 0 | 0 | 0 | 0 | 112.4 | R1419 I1420 I1421 D1425 L1426 S1427 L1499 | R1419-T1423 WeakPolarHBondContact O-CB 3.01Å; R1419-T1423 PolarHBondContact O-N 3.2Å; R1419-T1423 VanDerWaalsContact O-N 3.17Å; R1419-T1423 PolarHBondContact O-OG1 3Å; I1420-T1423 PolarHBondContact O-N 3.45Å; I1421-T1423 PolarHBondContact O-N 2.75Å; T1423-D1425 VanDerWaalsContact C-N 3.32Å; T1423-L1426 WeakPolarHBondContact O-CB 3.32Å; T1423-L1426 PolarHBondContact O-N 2.68Å; T1423-S1427 PolarHBondContact O-N 2.98Å; T1423-S1427 PolarHBondContact O-OG 3.12Å; T1423-L1499 HydrophobicContact CG2-CD2 4.12Å |
| 1424 | A | 79.1 | Confident | 80.4 | Confident | 3 Ų | 3 | 55.4 Ų | 55.4 | 3% | 0.025 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.3 | -41.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111 | T1360 I1420 I1421 S1427 H1428 | T1360-A1424 HydrophobicContact CG2-CB 4.07Å; I1420-A1424 WeakPolarHBondContact O-CB 3.4Å; I1420-A1424 PolarHBondContact O-N 3.3Å; I1421-A1424 PolarHBondContact O-N 2.83Å; I1421-A1424 VanDerWaalsContact O-N 3.16Å; A1424-S1427 PolarHBondContact O-N 2.94Å; A1424-H1428 WeakPolarHBondContact O-CB 3.34Å; A1424-H1428 PolarHBondContact O-N 3.15Å |
| 1425 | D | 82.4 | Confident | 80.8 | Confident | 38 Ų | 38 | 54.7 Ų | 54.7 | 20% | 0.203 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -58.9 | -45 | 171 | -98.3 | 30.2 | 0 | 0 | 0 | 112.3 | H1357 I1421 T1423 H1428 R1429 | H1357-D1425 IonicContact CE1-OD1 2.65Å; H1357-D1425 PolarHBondContact CE1-OD1 3.18Å; H1357-D1425 IonicContact ND1-OD1 2.77Å; H1357-D1425 PolarHBondContact ND1-OD1 3.32Å; I1421-D1425 WeakPolarHBondContact O-CB 3.42Å; I1421-D1425 PolarHBondContact O-N 2.01Å; T1423-D1425 VanDerWaalsContact C-N 3.32Å; D1425-H1428 PolarHBondContact O-N 3.1Å; D1425-R1429 WeakPolarHBondContact O-CB 3.33Å; D1425-R1429 VanDerWaalsContact O-CG 3.29Å; D1425-R1429 WeakPolarHBondContact O-CG 3.17Å; D1425-R1429 PolarHBondContact O-N 3.31Å; D1425-R1429 IonicContact OD2-NH2 2.74Å; D1425-R1429 PolarHBondContact OD2-NH2 2.9Å |
| 1426 | L | 82 | Confident | 81.2 | Confident | 99 Ų | 99 | 55.9 Ų | 55.9 | 52% | 0.518 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -63.3 | -42.5 | 177.3 | -169.3 | 113.2 | 0 | 0 | 0 | 111.6 | E1422 T1423 R1429 S1430 | E1422-L1426 WeakPolarHBondContact O-CB 3.01Å; E1422-L1426 PolarHBondContact O-N 3.09Å; T1423-L1426 WeakPolarHBondContact O-CB 3.32Å; T1423-L1426 PolarHBondContact O-N 2.68Å; L1426-R1429 PolarHBondContact O-N 3.3Å; L1426-S1430 WeakPolarHBondContact O-CB 3.47Å; L1426-S1430 PolarHBondContact O-N 3.24Å; L1426-S1430 PolarHBondContact O-OG 2.96Å |
| 1427 | S | 80.6 | Confident | 81.7 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.8 | -46.3 | 175 | -67.8 | 0 | 0 | 0 | 0 | 111.4 | T1423 A1424 S1430 G1431 L1496 | T1423-S1427 PolarHBondContact O-N 2.98Å; T1423-S1427 PolarHBondContact O-OG 3.12Å; A1424-S1427 PolarHBondContact O-N 2.94Å; S1427-S1430 PolarHBondContact O-N 2.91Å; S1427-G1431 PolarHBondContact O-N 3.49Å; S1427-L1496 WeakPolarHBondContact O-CD1 2.99Å |
| 1428 | H | 85.7 | Confident | 82.3 | Confident | 47 Ų | 47 | 52.9 Ų | 52.9 | 22% | 0.218 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.8 | -51 | 176.6 | 179.5 | -104.8 | 0 | 0 | 0 | 111.5 | Q1354 A1424 D1425 S1430 G1431 S1432 | Q1354-H1428 WeakPolarHBondContact CG-CD2 3.21Å; Q1354-H1428 WeakPolarHBondContact CG-NE2 3.25Å; A1424-H1428 WeakPolarHBondContact O-CB 3.34Å; A1424-H1428 PolarHBondContact O-N 3.15Å; D1425-H1428 PolarHBondContact O-N 3.1Å; H1428-S1430 PolarHBondContact O-N 3Å; H1428-G1431 PolarHBondContact O-N 3.4Å; H1428-S1432 PolarHBondContact O-N 2.93Å; H1428-S1432 PolarHBondContact O-OG 2.75Å |
| 1429 | R | 84 | Confident | 82.6 | Confident | 169 Ų | 169 | 53.1 Ų | 53.1 | 64% | 0.638 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -61.8 | -42.1 | 177.9 | -70.6 | 177.4 | -163.2 | -179.2 | 10.6 | 112.2 | D1425 L1426 S1432 K1433 | D1425-R1429 WeakPolarHBondContact O-CB 3.33Å; D1425-R1429 VanDerWaalsContact O-CG 3.29Å; D1425-R1429 WeakPolarHBondContact O-CG 3.17Å; D1425-R1429 PolarHBondContact O-N 3.31Å; D1425-R1429 IonicContact OD2-NH2 2.74Å; D1425-R1429 PolarHBondContact OD2-NH2 2.9Å; L1426-R1429 PolarHBondContact O-N 3.3Å; R1429-S1432 PolarHBondContact O-N 3.49Å; R1429-K1433 VanDerWaalsContact O-CB 3.31Å; R1429-K1433 WeakPolarHBondContact O-CB 3.28Å; R1429-K1433 PolarHBondContact O-N 2.96Å |
| 1430 | S | 84 | Confident | 83 | Confident | 49 Ų | 49 | 50.6 Ų | 50.6 | 34% | 0.343 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -65.5 | -42.4 | 179.6 | -62.5 | 0 | 0 | 0 | 0 | 111.8 | L1426 S1427 H1428 K1433 L1434 | L1426-S1430 WeakPolarHBondContact O-CB 3.47Å; L1426-S1430 PolarHBondContact O-N 3.24Å; L1426-S1430 PolarHBondContact O-OG 2.96Å; S1427-S1430 PolarHBondContact O-N 2.91Å; H1428-S1430 PolarHBondContact O-N 3Å; S1430-K1433 PolarHBondContact O-N 3.5Å; S1430-L1434 WeakPolarHBondContact O-CB 3.48Å; S1430-L1434 PolarHBondContact O-N 3.5Å |
| 1431 | G | 83.6 | Confident | 83.3 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -65.4 | -44.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | S1427 H1428 K1433 L1434 I1435 | S1427-G1431 PolarHBondContact O-N 3.49Å; H1428-G1431 PolarHBondContact O-N 3.4Å; G1431-K1433 VanDerWaalsContact C-N 3.35Å; G1431-K1433 PolarHBondContact O-N 3.04Å; G1431-L1434 WeakPolarHBondContact O-CB 3.48Å; G1431-L1434 PolarHBondContact O-N 3.12Å; G1431-I1435 WeakPolarHBondContact O-CG1 3.36Å; G1431-I1435 PolarHBondContact O-N 3.19Å |
| 1432 | S | 84.5 | Confident | 83.7 | Confident | 45 Ų | 45 | 50.5 Ų | 50.5 | 32% | 0.315 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -60.8 | -43.8 | 174.7 | -65.8 | 0 | 0 | 0 | 0 | 111.7 | H1428 R1429 L1434 I1435 E1436 | H1428-S1432 PolarHBondContact O-N 2.93Å; H1428-S1432 PolarHBondContact O-OG 2.75Å; R1429-S1432 PolarHBondContact O-N 3.49Å; S1432-L1434 PolarHBondContact O-N 3.22Å; S1432-I1435 PolarHBondContact O-N 3.01Å; S1432-E1436 PolarHBondContact O-N 3.47Å |
| 1433 | K | 85.6 | Confident | 83.8 | Confident | 91 Ų | 91 | 51.6 Ų | 51.6 | 40% | 0.396 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -66 | -37.8 | 178.3 | -174.1 | 52.3 | 178.9 | 149.7 | 0 | 112.2 | R1429 S1430 G1431 E1436 D1437 | R1429-K1433 VanDerWaalsContact O-CB 3.31Å; R1429-K1433 WeakPolarHBondContact O-CB 3.28Å; R1429-K1433 PolarHBondContact O-N 2.96Å; S1430-K1433 PolarHBondContact O-N 3.5Å; G1431-K1433 VanDerWaalsContact C-N 3.35Å; G1431-K1433 PolarHBondContact O-N 3.04Å; K1433-E1436 WeakPolarHBondContact CD-OE2 3.42Å; K1433-E1436 IonicContact NZ-OE2 2.93Å; K1433-E1436 PolarHBondContact NZ-OE2 2.87Å; K1433-E1436 PolarHBondContact O-N 3.01Å; K1433-D1437 WeakPolarHBondContact CE-OD1 3.22Å; K1433-D1437 IonicContact NZ-OD1 2.76Å; K1433-D1437 PolarHBondContact NZ-OD1 2.88Å; K1433-D1437 PolarHBondContact O-N 3.38Å |
| 1434 | L | 85.5 | Confident | 84.1 | Confident | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.01 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.2 | -47.4 | 175 | -176.7 | 63.4 | 0 | 0 | 0 | 111.2 | S1346 S1430 G1431 S1432 E1436 D1437 I1438 L1489 R1492 | S1346-L1434 WeakPolarHBondContact OG-CD2 3.08Å; S1430-L1434 WeakPolarHBondContact O-CB 3.48Å; S1430-L1434 PolarHBondContact O-N 3.5Å; G1431-L1434 WeakPolarHBondContact O-CB 3.48Å; G1431-L1434 PolarHBondContact O-N 3.12Å; S1432-L1434 PolarHBondContact O-N 3.22Å; L1434-E1436 VanDerWaalsContact C-N 3.34Å; L1434-E1436 PolarHBondContact O-N 3.48Å; L1434-D1437 PolarHBondContact O-N 3.25Å; L1434-I1438 HydrophobicContact CD1-CD1 4.49Å; L1434-I1438 HydrophobicContact CG-CD1 4.14Å; L1434-I1438 VanDerWaalsContact O-CG1 3.26Å; L1434-I1438 WeakPolarHBondContact O-CG1 3.21Å; L1434-I1438 PolarHBondContact O-N 3.07Å; L1434-L1489 HydrophobicContact CD1-CD2 3.68Å; L1434-L1489 HydrophobicContact CG-CD2 4.5Å; L1434-R1492 HydrophobicContact CD1-CB 3.88Å; L1434-R1492 HydrophobicContact CD2-CB 4.4Å |
| 1435 | I | 86.3 | Confident | 84.1 | Confident | 23 Ų | 23 | 55.1 Ų | 55.1 | 12% | 0.118 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.9 | -39.3 | 176.2 | -72.1 | -67.5 | 0 | 0 | 0 | 111.8 | R1347 L1350 G1431 S1432 I1438 N1439 | R1347-I1435 HydrophobicContact CB-CD1 4.25Å; L1350-I1435 HydrophobicContact CD2-CG1 4.09Å; G1431-I1435 WeakPolarHBondContact O-CG1 3.36Å; G1431-I1435 PolarHBondContact O-N 3.19Å; S1432-I1435 PolarHBondContact O-N 3.01Å; I1435-I1438 PolarHBondContact O-N 2.95Å; I1435-N1439 WeakPolarHBondContact CG2-ND2 3.36Å; I1435-N1439 WeakPolarHBondContact O-CB 3.41Å; I1435-N1439 VanDerWaalsContact O-CG 3.22Å; I1435-N1439 PolarHBondContact O-N 2.89Å; I1435-N1439 PolarHBondContact O-ND2 3.4Å |
| 1436 | E | 86.5 | Confident | 84 | Confident | 115 Ų | 115 | 59.7 Ų | 59.7 | 54% | 0.537 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -61.2 | -47.4 | 175.1 | -168.6 | -169.9 | -167.8 | 0 | 0 | 111.6 | S1432 K1433 L1434 I1438 N1439 D1440 | S1432-E1436 PolarHBondContact O-N 3.47Å; K1433-E1436 WeakPolarHBondContact CD-OE2 3.42Å; K1433-E1436 IonicContact NZ-OE2 2.93Å; K1433-E1436 PolarHBondContact NZ-OE2 2.87Å; K1433-E1436 PolarHBondContact O-N 3.01Å; L1434-E1436 VanDerWaalsContact C-N 3.34Å; L1434-E1436 PolarHBondContact O-N 3.48Å; E1436-I1438 PolarHBondContact O-N 2.99Å; E1436-N1439 PolarHBondContact O-N 3.07Å; E1436-D1440 PolarHBondContact O-N 2.68Å |
| 1437 | D | 86.1 | Confident | 83.8 | Confident | 30 Ų | 30 | 60.9 Ų | 60.9 | 16% | 0.16 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.9 | -38.5 | 179.7 | -61.8 | -23.7 | 0 | 0 | 0 | 111.6 | K1433 L1434 D1440 L1441 I1487 R1492 | K1433-D1437 WeakPolarHBondContact CE-OD1 3.22Å; K1433-D1437 IonicContact NZ-OD1 2.76Å; K1433-D1437 PolarHBondContact NZ-OD1 2.88Å; K1433-D1437 PolarHBondContact O-N 3.38Å; L1434-D1437 PolarHBondContact O-N 3.25Å; D1437-D1440 PolarHBondContact O-N 3.38Å; D1437-L1441 WeakPolarHBondContact O-CG 3.34Å; D1437-L1441 PolarHBondContact O-N 2.92Å; D1437-I1487 HydrophobicContact CB-CD1 4.38Å; D1437-I1487 HydrophobicContact CB-CG2 4.43Å; D1437-R1492 IonicContact OD2-CZ 2.82Å; D1437-R1492 IonicContact OD2-NH1 3.82Å; D1437-R1492 PolarHBondContact OD2-NH1 3.14Å; D1437-R1492 IonicContact OD2-NH2 3.32Å; D1437-R1492 PolarHBondContact OD2-NH2 3.4Å |
| 1438 | I | 84.7 | Confident | 83.5 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64 | -46.7 | 173.9 | -67.8 | 168.3 | 0 | 0 | 0 | 111 | V1339 H1343 L1434 I1435 E1436 D1440 L1441 L1442 L1489 | V1339-I1438 HydrophobicContact CG1-CG2 3.78Å; H1343-I1438 HydrophobicContact CB-CG2 3.72Å; H1343-I1438 VanDerWaalsContact ND1-CG2 3.31Å; H1343-I1438 WeakPolarHBondContact ND1-CG2 3.35Å; L1434-I1438 HydrophobicContact CD1-CD1 4.49Å; L1434-I1438 HydrophobicContact CG-CD1 4.14Å; L1434-I1438 VanDerWaalsContact O-CG1 3.26Å; L1434-I1438 WeakPolarHBondContact O-CG1 3.21Å; L1434-I1438 PolarHBondContact O-N 3.07Å; I1435-I1438 PolarHBondContact O-N 2.95Å; E1436-I1438 PolarHBondContact O-N 2.99Å; I1438-D1440 VanDerWaalsContact C-N 3.3Å; I1438-D1440 PolarHBondContact O-N 2.83Å; I1438-L1441 WeakPolarHBondContact O-CB 3.47Å; I1438-L1441 PolarHBondContact O-N 3.3Å; I1438-L1442 HydrophobicContact CG2-CD1 3.84Å; I1438-L1442 HydrophobicContact CG2-CG 4.27Å; I1438-L1442 WeakPolarHBondContact O-CG 3.35Å; I1438-L1442 PolarHBondContact O-N 3.35Å; I1438-L1489 HydrophobicContact CD1-CD2 3.43Å; I1438-L1489 VanDerWaalsContact CD1-CD2 3.43Å; I1438-L1489 HydrophobicContact CG1-CD2 3.24Å; I1438-L1489 HydrophobicContact CG1-CG 4.49Å |
| 1439 | N | 85.2 | Confident | 83 | Confident | 74 Ų | 74 | 62.5 Ų | 62.5 | 40% | 0.396 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -62 | -38.3 | 178.4 | -76.9 | -40.1 | 0 | 0 | 0 | 111.7 | H1343 I1435 E1436 L1442 K1443 | H1343-N1439 PolarHBondContact CE1-OD1 3.43Å; H1343-N1439 PolarHBondContact NE2-OD1 3Å; I1435-N1439 WeakPolarHBondContact CG2-ND2 3.36Å; I1435-N1439 WeakPolarHBondContact O-CB 3.41Å; I1435-N1439 VanDerWaalsContact O-CG 3.22Å; I1435-N1439 PolarHBondContact O-N 2.89Å; I1435-N1439 PolarHBondContact O-ND2 3.4Å; E1436-N1439 PolarHBondContact O-N 3.07Å; N1439-L1442 PolarHBondContact O-N 3.37Å; N1439-K1443 VanDerWaalsContact O-CB 3.24Å; N1439-K1443 WeakPolarHBondContact O-CB 3.31Å; N1439-K1443 PolarHBondContact O-N 2.97Å |
| 1440 | D | 86 | Confident | 82.4 | Confident | 80 Ų | 80 | 59 Ų | 59 | 43% | 0.428 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -64.7 | -43.9 | 174.6 | -175.7 | 61.9 | 0 | 0 | 0 | 111.9 | E1436 D1437 I1438 K1443 R1444 | E1436-D1440 PolarHBondContact O-N 2.68Å; D1437-D1440 PolarHBondContact O-N 3.38Å; I1438-D1440 VanDerWaalsContact C-N 3.3Å; I1438-D1440 PolarHBondContact O-N 2.83Å; D1440-K1443 PolarHBondContact O-N 2.76Å; D1440-R1444 WeakPolarHBondContact O-CB 3.33Å; D1440-R1444 VanDerWaalsContact O-CG 3.31Å; D1440-R1444 WeakPolarHBondContact O-CG 3.26Å; D1440-R1444 PolarHBondContact O-N 3.41Å; D1440-R1444 WeakPolarHBondContact OD2-CD 3.31Å |
| 1441 | L | 83.4 | Confident | 81.6 | Confident | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.005 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -58 | -51.3 | 173.1 | -77.9 | 172.3 | 0 | 0 | 0 | 111.7 | D1437 I1438 K1443 R1444 M1445 L1480 D1483 L1484 I1487 L1489 | D1437-L1441 WeakPolarHBondContact O-CG 3.34Å; D1437-L1441 PolarHBondContact O-N 2.92Å; I1438-L1441 WeakPolarHBondContact O-CB 3.47Å; I1438-L1441 PolarHBondContact O-N 3.3Å; L1441-K1443 VanDerWaalsContact C-N 3.27Å; L1441-K1443 PolarHBondContact O-N 2.04Å; L1441-R1444 PolarHBondContact O-N 3.35Å; L1441-R1444 VanDerWaalsContact O-N 3.14Å; L1441-M1445 VanDerWaalsContact O-CG 3.26Å; L1441-M1445 WeakPolarHBondContact O-CG 3.11Å; L1441-M1445 PolarHBondContact O-N 2.92Å; L1441-L1480 HydrophobicContact CD2-CD2 4.07Å; L1441-L1480 HydrophobicContact CD2-CG 4.41Å; L1441-D1483 HydrophobicContact CD2-CB 4.39Å; L1441-L1484 HydrophobicContact CD1-CD1 3.6Å; L1441-I1487 HydrophobicContact CD1-CD1 3.45Å; L1441-I1487 VanDerWaalsContact CD1-CD1 3.45Å; L1441-I1487 HydrophobicContact CD2-CD1 4.05Å; L1441-I1487 HydrophobicContact CG-CD1 3.75Å; L1441-L1489 HydrophobicContact CD1-CD1 4.26Å |
| 1442 | L | 84.3 | Confident | 80.7 | Confident | 30 Ų | 30 | 59.6 Ų | 59.6 | 16% | 0.157 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.8 | -39 | 178.7 | -72.5 | 171.5 | 0 | 0 | 0 | 111.6 | V1339 N1340 I1438 N1439 M1445 K1446 | V1339-L1442 HydrophobicContact CB-CD2 4.14Å; V1339-L1442 HydrophobicContact CG1-CD1 4.44Å; V1339-L1442 HydrophobicContact CG1-CD2 3.71Å; V1339-L1442 HydrophobicContact CG1-CG 3.83Å; N1340-L1442 WeakPolarHBondContact OD1-CD1 3.3Å; N1340-L1442 WeakPolarHBondContact OD1-CD2 3.08Å; I1438-L1442 HydrophobicContact CG2-CD1 3.84Å; I1438-L1442 HydrophobicContact CG2-CG 4.27Å; I1438-L1442 WeakPolarHBondContact O-CG 3.35Å; I1438-L1442 PolarHBondContact O-N 3.35Å; N1439-L1442 PolarHBondContact O-N 3.37Å; L1442-M1445 HydrophobicContact CD2-SD 4.25Å; L1442-M1445 PolarHBondContact O-N 3.01Å; L1442-K1446 VanDerWaalsContact O-CB 3.28Å; L1442-K1446 WeakPolarHBondContact O-CB 3.43Å; L1442-K1446 PolarHBondContact O-N 2.81Å |
| 1443 | K | 83.3 | Confident | 79.7 | Confident | 152 Ų | 152 | 60.9 Ų | 60.9 | 66% | 0.661 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -65.7 | -42.3 | 175.4 | -173.9 | 179.8 | -179.2 | -179.5 | 0 | 112 | N1439 D1440 L1441 K1446 K1447 | N1439-K1443 VanDerWaalsContact O-CB 3.24Å; N1439-K1443 WeakPolarHBondContact O-CB 3.31Å; N1439-K1443 PolarHBondContact O-N 2.97Å; D1440-K1443 PolarHBondContact O-N 2.76Å; L1441-K1443 VanDerWaalsContact C-N 3.27Å; L1441-K1443 PolarHBondContact O-N 2.04Å; K1443-K1446 PolarHBondContact O-N 3.26Å; K1443-K1447 WeakPolarHBondContact O-CB 3.3Å; K1443-K1447 PolarHBondContact O-N 3.17Å |
| 1444 | R | 82.4 | Confident | 78.1 | Confident | 108 Ų | 108 | 64.3 Ų | 64.3 | 41% | 0.408 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -67.6 | -38.2 | 176.2 | -70.7 | 169.4 | 114 | -153.4 | 2.5 | 111.7 | D1440 L1441 K1447 L1448 L1480 D1483 | D1440-R1444 WeakPolarHBondContact O-CB 3.33Å; D1440-R1444 VanDerWaalsContact O-CG 3.31Å; D1440-R1444 WeakPolarHBondContact O-CG 3.26Å; D1440-R1444 PolarHBondContact O-N 3.41Å; D1440-R1444 WeakPolarHBondContact OD2-CD 3.31Å; L1441-R1444 PolarHBondContact O-N 3.35Å; L1441-R1444 VanDerWaalsContact O-N 3.14Å; R1444-K1447 PolarHBondContact O-N 3.41Å; R1444-L1448 WeakPolarHBondContact O-CB 3.21Å; R1444-L1448 PolarHBondContact O-N 2.85Å; R1444-L1480 HydrophobicContact CB-CD1 3.82Å; R1444-D1483 IonicContact CZ-OD2 3.62Å; R1444-D1483 IonicContact NH1-OD2 3.74Å; R1444-D1483 PolarHBondContact NH1-OD2 2.95Å; R1444-D1483 IonicContact NH2-OD2 2.97Å |
| 1445 | M | 79.8 | Confident | 76.2 | Confident | 5 Ų | 5 | 67.1 Ų | 67.1 | 3% | 0.025 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63.2 | -48 | 173.4 | -71.1 | 167 | 140.2 | 0 | 0 | 110.9 | L1332 L1335 A1336 V1339 L1441 L1442 K1447 L1448 K1449 L1480 | L1332-M1445 HydrophobicContact CD1-CB 4.06Å; L1332-M1445 HydrophobicContact CD1-CG 3.98Å; L1335-M1445 HydrophobicContact CB-CE 3.72Å; L1335-M1445 HydrophobicContact CD2-CE 3.41Å; L1335-M1445 VanDerWaalsContact CD2-CE 3.41Å; L1335-M1445 HydrophobicContact CG-CE 3.33Å; A1336-M1445 HydrophobicContact CB-SD 4.08Å; V1339-M1445 HydrophobicContact CG2-CE 4.1Å; L1441-M1445 VanDerWaalsContact O-CG 3.26Å; L1441-M1445 WeakPolarHBondContact O-CG 3.11Å; L1441-M1445 PolarHBondContact O-N 2.92Å; L1442-M1445 HydrophobicContact CD2-SD 4.25Å; L1442-M1445 PolarHBondContact O-N 3.01Å; M1445-K1447 VanDerWaalsContact C-N 3.32Å; M1445-K1447 PolarHBondContact O-N 3.49Å; M1445-L1448 PolarHBondContact O-N 3.19Å; M1445-K1449 WeakPolarHBondContact O-CB 3.47Å; M1445-K1449 PolarHBondContact O-N 2.06Å; M1445-L1480 HydrophobicContact CB-CD1 4.37Å; M1445-L1480 HydrophobicContact CE-CD2 3.67Å; M1445-L1480 HydrophobicContact CG-CD1 3.67Å; M1445-L1480 HydrophobicContact CG-CD2 3.38Å; M1445-L1480 HydrophobicContact CG-CG 4.18Å; M1445-L1480 HydrophobicContact SD-CD2 4.08Å |
| 1446 | K | 80.9 | Confident | 74.2 | Confident | 134 Ų | 134 | 70.7 Ų | 70.7 | 58% | 0.583 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -58.6 | -44.7 | 176 | -174.2 | 177.6 | 177.7 | 179.7 | 0 | 111.3 | L1442 K1443 L1448 K1449 E1450 | L1442-K1446 VanDerWaalsContact O-CB 3.28Å; L1442-K1446 WeakPolarHBondContact O-CB 3.43Å; L1442-K1446 PolarHBondContact O-N 2.81Å; K1443-K1446 PolarHBondContact O-N 3.26Å; K1446-L1448 PolarHBondContact O-N 2.83Å; K1446-K1449 WeakPolarHBondContact O-CB 3.41Å; K1446-K1449 PolarHBondContact O-N 3.36Å; K1446-E1450 WeakPolarHBondContact CE-OE1 3.39Å; K1446-E1450 WeakPolarHBondContact O-CB 3.38Å; K1446-E1450 WeakPolarHBondContact O-CG 3.25Å; K1446-E1450 PolarHBondContact O-N 3.27Å |
| 1447 | K | 78.1 | Confident | 72 | Confident | 123 Ų | 123 | 74.6 Ų | 74.6 | 54% | 0.535 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63 | -41.3 | 176.4 | -171.7 | 177.3 | -177.2 | -179.9 | 0 | 112.5 | K1443 R1444 M1445 K1449 E1450 Q1451 | K1443-K1447 WeakPolarHBondContact O-CB 3.3Å; K1443-K1447 PolarHBondContact O-N 3.17Å; R1444-K1447 PolarHBondContact O-N 3.41Å; M1445-K1447 VanDerWaalsContact C-N 3.32Å; M1445-K1447 PolarHBondContact O-N 3.49Å; K1447-K1449 VanDerWaalsContact C-N 3.34Å; K1447-E1450 PolarHBondContact O-N 3.41Å; K1447-Q1451 WeakPolarHBondContact O-CB 3.3Å; K1447-Q1451 VanDerWaalsContact O-CG 3.23Å; K1447-Q1451 WeakPolarHBondContact O-CG 3.49Å; K1447-Q1451 PolarHBondContact O-N 2.97Å |
| 1448 | L | 74.3 | Confident | 69.9 | Low | 5 Ų | 5 | 79.3 Ų | 79.3 | 3% | 0.026 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -66 | -39.9 | 175.9 | -167.4 | 70.5 | 0 | 0 | 0 | 111 | L1332 R1444 M1445 K1446 Q1451 L1452 R1476 F1477 | L1332-L1448 HydrophobicContact CD1-CD2 4.21Å; L1332-L1448 HydrophobicContact CD2-CB 4.32Å; L1332-L1448 HydrophobicContact CD2-CD2 4.37Å; L1332-L1448 HydrophobicContact CD2-CG 4.5Å; R1444-L1448 WeakPolarHBondContact O-CB 3.21Å; R1444-L1448 PolarHBondContact O-N 2.85Å; M1445-L1448 PolarHBondContact O-N 3.19Å; K1446-L1448 PolarHBondContact O-N 2.83Å; L1448-Q1451 PolarHBondContact O-N 3.14Å; L1448-L1452 HydrophobicContact CG-CD1 4.42Å; L1448-L1452 WeakPolarHBondContact O-CG 3.32Å; L1448-L1452 PolarHBondContact O-N 3.38Å; L1448-R1476 HydrophobicContact CD1-CB 3.56Å; L1448-R1476 HydrophobicContact CD1-CG 4.32Å; L1448-R1476 HydrophobicContact CD2-CB 4.39Å; L1448-F1477 HydrophobicContact CD2-CB 4.03Å; L1448-F1477 HydrophobicContact CD2-CD2 4.49Å |
| 1449 | K | 75.5 | Confident | 68 | Low | 76 Ų | 76 | 82.9 Ų | 82.9 | 33% | 0.33 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -61.1 | -47.7 | 175.3 | -164.6 | 177.1 | -176.1 | 165.9 | 0 | 111.5 | H1329 L1332 T1333 M1445 K1446 K1447 Q1451 L1452 T1453 | H1329-K1449 WeakPolarHBondContact CE1-CG 3.26Å; H1329-K1449 WeakPolarHBondContact NE2-CE 3.42Å; L1332-K1449 HydrophobicContact CD2-CB 3.73Å; L1332-K1449 HydrophobicContact CD2-CG 4.27Å; T1333-K1449 PolarHBondContact OG1-NZ 3.28Å; M1445-K1449 WeakPolarHBondContact O-CB 3.47Å; M1445-K1449 PolarHBondContact O-N 2.06Å; K1446-K1449 WeakPolarHBondContact O-CB 3.41Å; K1446-K1449 PolarHBondContact O-N 3.36Å; K1447-K1449 VanDerWaalsContact C-N 3.34Å; K1449-Q1451 VanDerWaalsContact C-N 3.34Å; K1449-Q1451 PolarHBondContact O-N 2.85Å; K1449-L1452 PolarHBondContact O-N 3.48Å; K1449-T1453 PolarHBondContact O-N 2.92Å; K1449-T1453 PolarHBondContact O-OG1 3.18Å; K1449-T1453 VanDerWaalsContact O-OG1 3.11Å |
| 1450 | E | 70.6 | Confident | 65.8 | Low | 96 Ų | 96 | 85.9 Ų | 85.9 | 45% | 0.449 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -60.5 | -42.2 | 176 | -75.3 | 169.2 | -177.7 | 0 | 0 | 111.6 | K1446 K1447 T1453 E1454 | K1446-E1450 WeakPolarHBondContact CE-OE1 3.39Å; K1446-E1450 WeakPolarHBondContact O-CB 3.38Å; K1446-E1450 WeakPolarHBondContact O-CG 3.25Å; K1446-E1450 PolarHBondContact O-N 3.27Å; K1447-E1450 PolarHBondContact O-N 3.41Å; E1450-T1453 VanDerWaalsContact C-OG1 3.31Å; E1450-T1453 VanDerWaalsContact CA-OG1 3.29Å; E1450-T1453 WeakPolarHBondContact CA-OG1 3.34Å; E1450-T1453 PolarHBondContact O-N 3.01Å; E1450-T1453 VanDerWaalsContact O-N 3.12Å; E1450-T1453 PolarHBondContact O-OG1 3.16Å; E1450-E1454 PolarHBondContact O-N 2.69Å |
| 1451 | Q | 67.9 | Low | 63.5 | Low | 48 Ų | 48 | 86 Ų | 86 | 22% | 0.224 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -66.8 | -34.1 | 178.2 | -77.6 | 176.8 | -19.2 | 0 | 0 | 113.7 | K1447 L1448 K1449 T1453 I1468 | K1447-Q1451 WeakPolarHBondContact O-CB 3.3Å; K1447-Q1451 VanDerWaalsContact O-CG 3.23Å; K1447-Q1451 WeakPolarHBondContact O-CG 3.49Å; K1447-Q1451 PolarHBondContact O-N 2.97Å; L1448-Q1451 PolarHBondContact O-N 3.14Å; K1449-Q1451 VanDerWaalsContact C-N 3.34Å; K1449-Q1451 PolarHBondContact O-N 2.85Å; Q1451-T1453 VanDerWaalsContact C-N 3.29Å; Q1451-I1468 HydrophobicContact CB-CD1 3.69Å; Q1451-I1468 HydrophobicContact CG-CD1 3.69Å; Q1451-I1468 VanDerWaalsContact OE1-CD1 3.3Å |
| 1452 | L | 64.7 | Low | 61.4 | Low | 14 Ų | 14 | 93.8 Ų | 93.8 | 7% | 0.073 | 51% | 0.508 | C | S | . | . | H | α-helix | trans | -71.3 | -22.7 | 172 | -75.5 | 162.3 | 0 | 0 | 0 | 112.4 | E1325 L1328 L1332 L1448 K1449 T1455 A1473 | E1325-L1452 HydrophobicContact CG-CD2 4Å; E1325-L1452 VanDerWaalsContact OE1-O 3.13Å; L1328-L1452 HydrophobicContact CD2-CD1 3.98Å; L1328-L1452 HydrophobicContact CD2-CD2 4.12Å; L1328-L1452 HydrophobicContact CG-CD1 4.45Å; L1332-L1452 HydrophobicContact CD2-CD1 4.42Å; L1448-L1452 HydrophobicContact CG-CD1 4.42Å; L1448-L1452 WeakPolarHBondContact O-CG 3.32Å; L1448-L1452 PolarHBondContact O-N 3.38Å; K1449-L1452 PolarHBondContact O-N 3.48Å; L1452-T1455 PolarHBondContact O-OG1 3.48Å; L1452-A1473 HydrophobicContact CD2-CB 3.77Å; L1452-A1473 HydrophobicContact CG-CB 4.39Å |
| 1453 | T | 62.7 | Low | 58.9 | Low | 72 Ų | 72 | 99.8 Ų | 99.8 | 44% | 0.442 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -90.4 | -22.5 | 176.3 | 41.5 | 0 | 0 | 0 | 0 | 114.3 | K1449 E1450 Q1451 T1455 T1456 | K1449-T1453 PolarHBondContact O-N 2.92Å; K1449-T1453 PolarHBondContact O-OG1 3.18Å; K1449-T1453 VanDerWaalsContact O-OG1 3.11Å; E1450-T1453 VanDerWaalsContact C-OG1 3.31Å; E1450-T1453 VanDerWaalsContact CA-OG1 3.29Å; E1450-T1453 WeakPolarHBondContact CA-OG1 3.34Å; E1450-T1453 PolarHBondContact O-N 3.01Å; E1450-T1453 VanDerWaalsContact O-N 3.12Å; E1450-T1453 PolarHBondContact O-OG1 3.16Å; Q1451-T1453 VanDerWaalsContact C-N 3.29Å; T1453-T1455 PolarHBondContact O-N 3.03Å; T1453-T1456 PolarHBondContact O-N 2.89Å; T1453-T1456 PolarHBondContact O-OG1 3.43Å |
| 1454 | E | 51.2 | Low | 56.7 | Low | 162 Ų | 162 | 97.7 Ų | 97.7 | 76% | 0.757 | 54% | 0.543 | S | S | * | . | G | 310 helix | trans | -72.8 | -11.5 | -179.8 | -83.5 | -171.3 | 159.9 | 0 | 0 | 113.8 | E1450 T1456 | E1450-E1454 PolarHBondContact O-N 2.69Å; E1454-T1456 PolarHBondContact O-N 3.24Å |
| 1455 | T | 46.5 | Very low | 54.4 | Low | 62 Ų | 62 | 101.7 Ų | 101.7 | 38% | 0.38 | 56% | 0.563 | S | S | . | * | G | 310 helix | trans | -70.3 | -11 | 174 | 23.7 | 0 | 0 | 0 | 0 | 114.2 | E1325 L1452 T1453 T1467 | E1325-T1455 PolarHBondContact OE1-OG1 3.36Å; E1325-T1455 VanDerWaalsContact OE1-OG1 3.11Å; L1452-T1455 PolarHBondContact O-OG1 3.48Å; T1453-T1455 PolarHBondContact O-N 3.03Å; T1455-T1467 HydrophobicContact CG2-CG2 3.61Å |
| 1456 | T | 44.3 | Very low | 52.5 | Low | 98 Ų | 98 | 107.4 Ų | 107.4 | 60% | 0.601 | 60% | 0.6 | S | S | * | * | G | 310 helix | trans | -111.9 | 24.3 | -171.6 | 51.3 | 0 | 0 | 0 | 0 | 115.6 | T1453 E1454 P1458 | T1453-T1456 PolarHBondContact O-N 2.89Å; T1453-T1456 PolarHBondContact O-OG1 3.43Å; E1454-T1456 PolarHBondContact O-N 3.24Å; T1456-P1458 WeakPolarHBondContact O-CD 3.28Å |
| 1457 | K | 40.9 | Very low | 50.8 | Low | 196 Ų | 196 | 106.1 Ų | 106.1 | 85% | 0.852 | 60% | 0.604 | S | S | * | * | trans | -95.6 | 108.8 | 168.2 | -83.2 | -174.5 | 178.7 | 175.9 | 0 | 112.4 | ||||
| 1458 | P | 41.1 | Very low | 49.2 | Very low | 129 Ų | 129 | 102.1 Ų | 102.1 | 84% | 0.838 | 59% | 0.588 | S | S | * | * | trans | -80.6 | 134.3 | 176.7 | 10.9 | 5.1 | 0 | 0 | 0 | 110.6 | T1456 | T1456-P1458 WeakPolarHBondContact O-CD 3.28Š| ||
| 1459 | G | 45.2 | Very low | 48.2 | Very low | 76 Ų | 76 | 105.8 Ų | 105.8 | 78% | 0.784 | 61% | 0.611 | S | S | * | * | trans | 114.8 | 18 | 146.7 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1460 | T | 38.9 | Very low | 47.2 | Very low | 137 Ų | 137 | 106.3 Ų | 106.3 | 84% | 0.84 | 62% | 0.624 | S | S | * | * | trans | -124.6 | 96.8 | 162.5 | 50.6 | 0 | 0 | 0 | 0 | 110.8 | I1462 | T1460-I1462 VanDerWaalsContact C-N 3.33Å; T1460-I1462 PolarHBondContact O-N 3.11Å | ||
| 1461 | G | 37.7 | Very low | 46.3 | Very low | 83 Ų | 83 | 109 Ų | 109 | 86% | 0.856 | 64% | 0.637 | S | S | * | * | trans | -69 | 84.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1462 | I | 38.3 | Very low | 46 | Very low | 164 Ų | 164 | 109.7 Ų | 109.7 | 84% | 0.841 | 64% | 0.642 | S | S | * | * | trans | -139.7 | 123.9 | 154 | -58.2 | -176.6 | 0 | 0 | 0 | 108 | T1460 | T1460-I1462 VanDerWaalsContact C-N 3.33Å; T1460-I1462 PolarHBondContact O-N 3.11Å | ||
| 1463 | I | 33.5 | Very low | 46 | Very low | 155 Ų | 155 | 109 Ų | 109 | 80% | 0.795 | 64% | 0.639 | S | S | * | * | trans | -56.9 | 155.2 | -171.1 | -68.7 | 157 | 0 | 0 | 0 | 113.3 | ||||
| 1464 | S | 35.4 | Very low | 46 | Very low | 109 Ų | 109 | 107.9 Ų | 107.9 | 76% | 0.762 | 63% | 0.634 | S | S | * | * | trans | 86.5 | 72.5 | 153.2 | 62.9 | 0 | 0 | 0 | 0 | 120 | ||||
| 1465 | K | 35.1 | Very low | 46.6 | Very low | 191 Ų | 191 | 104.1 Ų | 104.1 | 83% | 0.83 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -130.9 | 139.7 | 130.6 | -96 | 179.2 | -179.2 | 173.5 | 0 | 108.6 | T1467 | K1465-T1467 PolarHBondContact O-N 2.84Š|
| 1466 | P | 40.2 | Very low | 47.8 | Very low | 125 Ų | 125 | 105.6 Ų | 105.6 | 81% | 0.812 | 62% | 0.621 | S | S | * | * | trans | -63 | 115.2 | -174 | -1.6 | 12.8 | 0 | 0 | 0 | 109 | I1468 | P1466-I1468 PolarHBondContact O-N 3.48Š| ||
| 1467 | T | 44.9 | Very low | 49.1 | Very low | 107 Ų | 107 | 102 Ų | 102 | 66% | 0.656 | 60% | 0.596 | S | S | * | * | trans | -58.7 | 114.9 | 170 | -28.6 | 0 | 0 | 0 | 0 | 107.1 | T1455 K1465 T1469 | T1455-T1467 HydrophobicContact CG2-CG2 3.61Å; K1465-T1467 PolarHBondContact O-N 2.84Å; T1467-T1469 PolarHBondContact O-N 3.38Å; T1467-T1469 VanDerWaalsContact O-N 3.12Å | ||
| 1468 | I | 45.5 | Very low | 50.5 | Low | 39 Ų | 39 | 97.3 Ų | 97.3 | 20% | 0.2 | 58% | 0.58 | C | S | . | * | trans | -60.7 | 116.6 | 173.9 | -77.2 | 160.8 | 0 | 0 | 0 | 106.3 | Q1451 P1466 D1472 A1473 R1476 | Q1451-I1468 HydrophobicContact CB-CD1 3.69Å; Q1451-I1468 HydrophobicContact CG-CD1 3.69Å; Q1451-I1468 VanDerWaalsContact OE1-CD1 3.3Å; P1466-I1468 PolarHBondContact O-N 3.48Å; I1468-D1472 HydrophobicContact CG2-CB 4.13Å; I1468-A1473 HydrophobicContact CG2-CB 3.88Å; I1468-R1476 VanDerWaalsContact CD1-NH1 3.3Å | ||
| 1469 | T | 52.1 | Low | 52.2 | Low | 83 Ų | 83 | 96.9 Ų | 96.9 | 51% | 0.509 | 57% | 0.565 | S | S | . | * | trans | -66.3 | 152.3 | 176.1 | 56.8 | 0 | 0 | 0 | 0 | 109 | T1467 E1471 D1472 A1473 | T1467-T1469 PolarHBondContact O-N 3.38Å; T1467-T1469 VanDerWaalsContact O-N 3.12Å; T1469-E1471 PolarHBondContact O-N 3.38Å; T1469-E1471 VanDerWaalsContact O-N 3.09Å; T1469-D1472 WeakPolarHBondContact O-CA 3.47Å; T1469-D1472 WeakPolarHBondContact O-CB 3.42Å; T1469-D1472 PolarHBondContact O-N 2.93Å; T1469-D1472 WeakPolarHBondContact OG1-CB 3.28Å; T1469-D1472 PolarHBondContact OG1-N 3.17Å; T1469-A1473 PolarHBondContact O-N 2.76Å | ||
| 1470 | S | 54.6 | Low | 53.7 | Low | 87 Ų | 87 | 93.7 Ų | 93.7 | 61% | 0.608 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -55.8 | -29.3 | 175.8 | 67.8 | 0 | 0 | 0 | 0 | 111.8 | S1474 | S1470-S1474 VanDerWaalsContact O-CB 3.23Å; S1470-S1474 WeakPolarHBondContact O-CB 3.41Å; S1470-S1474 PolarHBondContact O-N 2.78Å; S1470-S1474 PolarHBondContact O-OG 3.25Å |
| 1471 | E | 52.7 | Low | 55.3 | Low | 151 Ų | 151 | 92.3 Ų | 92.3 | 71% | 0.706 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -66.1 | -41.2 | 173.6 | -148.3 | 168.4 | -159.3 | 0 | 0 | 111.9 | T1469 T1475 | T1469-E1471 PolarHBondContact O-N 3.38Å; T1469-E1471 VanDerWaalsContact O-N 3.09Å; E1471-T1475 VanDerWaalsContact O-CB 3.31Å; E1471-T1475 WeakPolarHBondContact O-CB 3.36Å; E1471-T1475 PolarHBondContact O-N 3.2Å; E1471-T1475 PolarHBondContact O-OG1 3.12Å |
| 1472 | D | 61.4 | Low | 57.2 | Low | 63 Ų | 63 | 92.6 Ų | 92.6 | 34% | 0.337 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -72.9 | -37.7 | 178.1 | -156 | 42.2 | 0 | 0 | 0 | 111.3 | I1468 T1469 T1475 R1476 | I1468-D1472 HydrophobicContact CG2-CB 4.13Å; T1469-D1472 WeakPolarHBondContact O-CA 3.47Å; T1469-D1472 WeakPolarHBondContact O-CB 3.42Å; T1469-D1472 PolarHBondContact O-N 2.93Å; T1469-D1472 WeakPolarHBondContact OG1-CB 3.28Å; T1469-D1472 PolarHBondContact OG1-N 3.17Å; D1472-T1475 PolarHBondContact O-N 2.76Å; D1472-R1476 WeakPolarHBondContact O-CB 3.31Å; D1472-R1476 VanDerWaalsContact O-CG 3.22Å; D1472-R1476 WeakPolarHBondContact O-CG 3.21Å; D1472-R1476 PolarHBondContact O-N 3.03Å; D1472-R1476 IonicContact OD2-CZ 3.94Å; D1472-R1476 IonicContact OD2-NE 3.43Å; D1472-R1476 PolarHBondContact OD2-NE 3.45Å; D1472-R1476 IonicContact OD2-NH2 2.82Å; D1472-R1476 PolarHBondContact OD2-NH2 2.83Å |
| 1473 | A | 63 | Low | 59.1 | Low | 1 Ų | 1 | 86.2 Ų | 86.2 | 1% | 0.008 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -65.6 | -43.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L1328 L1452 I1468 T1469 R1476 F1477 | L1328-A1473 HydrophobicContact CD2-CB 3.89Å; L1452-A1473 HydrophobicContact CD2-CB 3.77Å; L1452-A1473 HydrophobicContact CG-CB 4.39Å; I1468-A1473 HydrophobicContact CG2-CB 3.88Å; T1469-A1473 PolarHBondContact O-N 2.76Å; A1473-R1476 PolarHBondContact O-N 3.38Å; A1473-F1477 WeakPolarHBondContact O-CB 3.38Å; A1473-F1477 PolarHBondContact O-N 3.34Å |
| 1474 | S | 63.9 | Low | 61.2 | Low | 48 Ų | 48 | 80.3 Ų | 80.3 | 34% | 0.336 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -64 | -41 | 176 | -63.7 | 0 | 0 | 0 | 0 | 111.5 | S1470 F1477 L1478 | S1470-S1474 VanDerWaalsContact O-CB 3.23Å; S1470-S1474 WeakPolarHBondContact O-CB 3.41Å; S1470-S1474 PolarHBondContact O-N 2.78Å; S1470-S1474 PolarHBondContact O-OG 3.25Å; S1474-F1477 PolarHBondContact O-N 3.2Å; S1474-L1478 WeakPolarHBondContact O-CB 3.5Å; S1474-L1478 WeakPolarHBondContact O-CG 3.09Å; S1474-L1478 PolarHBondContact O-N 3.22Å |
| 1475 | T | 64 | Low | 63 | Low | 83 Ų | 83 | 82.3 Ų | 82.3 | 51% | 0.509 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -63.6 | -42 | 175.7 | -57.3 | 0 | 0 | 0 | 0 | 111.3 | E1471 D1472 L1478 K1479 | E1471-T1475 VanDerWaalsContact O-CB 3.31Å; E1471-T1475 WeakPolarHBondContact O-CB 3.36Å; E1471-T1475 PolarHBondContact O-N 3.2Å; E1471-T1475 PolarHBondContact O-OG1 3.12Å; D1472-T1475 PolarHBondContact O-N 2.76Å; T1475-L1478 PolarHBondContact O-N 2.72Å; T1475-K1479 WeakPolarHBondContact O-CB 3.41Å; T1475-K1479 PolarHBondContact O-N 3.26Å |
| 1476 | R | 70.6 | Confident | 65.1 | Low | 93 Ų | 93 | 80.1 Ų | 80.1 | 35% | 0.351 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -67.1 | -38.2 | 174.8 | -71.7 | 172.6 | -165.5 | -165.6 | 8.7 | 112.4 | L1448 I1468 D1472 A1473 K1479 L1480 | L1448-R1476 HydrophobicContact CD1-CB 3.56Å; L1448-R1476 HydrophobicContact CD1-CG 4.32Å; L1448-R1476 HydrophobicContact CD2-CB 4.39Å; I1468-R1476 VanDerWaalsContact CD1-NH1 3.3Å; D1472-R1476 WeakPolarHBondContact O-CB 3.31Å; D1472-R1476 VanDerWaalsContact O-CG 3.22Å; D1472-R1476 WeakPolarHBondContact O-CG 3.21Å; D1472-R1476 PolarHBondContact O-N 3.03Å; D1472-R1476 IonicContact OD2-CZ 3.94Å; D1472-R1476 IonicContact OD2-NE 3.43Å; D1472-R1476 PolarHBondContact OD2-NE 3.45Å; D1472-R1476 IonicContact OD2-NH2 2.82Å; D1472-R1476 PolarHBondContact OD2-NH2 2.83Å; A1473-R1476 PolarHBondContact O-N 3.38Å; R1476-K1479 WeakPolarHBondContact O-CB 3.37Å; R1476-K1479 PolarHBondContact O-N 3.35Å; R1476-L1480 WeakPolarHBondContact O-CB 3.45Å; R1476-L1480 PolarHBondContact O-N 2.95Å |
| 1477 | F | 72.9 | Confident | 67 | Low | 21 Ų | 21 | 75.7 Ų | 75.7 | 9% | 0.092 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -63.1 | -45.6 | 174.2 | 179.8 | -101.2 | 0 | 0 | 0 | 111.4 | L1328 R1331 L1332 L1335 L1448 A1473 S1474 K1479 L1480 K1481 | L1328-F1477 HydrophobicContact CD1-CB 3.9Å; L1328-F1477 HydrophobicContact CD1-CD1 3.87Å; L1328-F1477 HydrophobicContact CD1-CD2 4.36Å; L1328-F1477 HydrophobicContact CD1-CG 3.77Å; R1331-F1477 HydrophobicContact CB-CZ 3.95Å; L1332-F1477 HydrophobicContact CB-CD2 4.43Å; L1332-F1477 HydrophobicContact CB-CE2 4.19Å; L1332-F1477 HydrophobicContact CD1-CD2 3.85Å; L1332-F1477 HydrophobicContact CD1-CE2 3.98Å; L1335-F1477 HydrophobicContact CD2-CE2 4.06Å; L1335-F1477 HydrophobicContact CD2-CZ 4.27Å; L1448-F1477 HydrophobicContact CD2-CB 4.03Å; L1448-F1477 HydrophobicContact CD2-CD2 4.49Å; A1473-F1477 WeakPolarHBondContact O-CB 3.38Å; A1473-F1477 PolarHBondContact O-N 3.34Å; S1474-F1477 PolarHBondContact O-N 3.2Å; F1477-K1479 VanDerWaalsContact C-N 3.33Å; F1477-K1479 PolarHBondContact O-N 3.11Å; F1477-L1480 WeakPolarHBondContact O-CB 3.19Å; F1477-L1480 PolarHBondContact O-N 2.89Å; F1477-L1480 VanDerWaalsContact O-N 3.13Å; F1477-K1481 PolarHBondContact O-N 3.22Å |
| 1478 | L | 68.7 | Low | 68.8 | Low | 98 Ų | 98 | 75.8 Ų | 75.8 | 51% | 0.513 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -59.6 | -43.6 | 174.3 | -75.9 | 165.7 | 0 | 0 | 0 | 111.4 | S1474 T1475 L1480 K1481 D1482 | S1474-L1478 WeakPolarHBondContact O-CB 3.5Å; S1474-L1478 WeakPolarHBondContact O-CG 3.09Å; S1474-L1478 PolarHBondContact O-N 3.22Å; T1475-L1478 PolarHBondContact O-N 2.72Å; L1478-L1480 VanDerWaalsContact C-N 3.3Å; L1478-L1480 PolarHBondContact O-N 3.45Å; L1478-K1481 PolarHBondContact O-N 3.44Å; L1478-D1482 WeakPolarHBondContact O-CB 3.13Å; L1478-D1482 PolarHBondContact O-N 2.99Å |
| 1479 | K | 77.7 | Confident | 70.4 | Confident | 121 Ų | 121 | 74.3 Ų | 74.3 | 53% | 0.526 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -58.1 | -43.3 | 173.4 | -168.5 | 80.9 | 180 | -171.8 | 0 | 111.7 | T1475 R1476 F1477 D1482 D1483 | T1475-K1479 WeakPolarHBondContact O-CB 3.41Å; T1475-K1479 PolarHBondContact O-N 3.26Å; R1476-K1479 WeakPolarHBondContact O-CB 3.37Å; R1476-K1479 PolarHBondContact O-N 3.35Å; F1477-K1479 VanDerWaalsContact C-N 3.33Å; F1477-K1479 PolarHBondContact O-N 3.11Å; K1479-D1482 PolarHBondContact O-N 3.38Å; K1479-D1483 WeakPolarHBondContact O-CB 3.39Å; K1479-D1483 PolarHBondContact O-N 2.79Å |
| 1480 | L | 77.2 | Confident | 71.7 | Confident | 8 Ų | 8 | 75.2 Ų | 75.2 | 4% | 0.042 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -68.1 | -40.2 | -179.2 | -152.2 | 151.3 | 0 | 0 | 0 | 111.4 | L1441 R1444 M1445 R1476 F1477 L1478 D1483 L1484 | L1441-L1480 HydrophobicContact CD2-CD2 4.07Å; L1441-L1480 HydrophobicContact CD2-CG 4.41Å; R1444-L1480 HydrophobicContact CB-CD1 3.82Å; M1445-L1480 HydrophobicContact CB-CD1 4.37Å; M1445-L1480 HydrophobicContact CE-CD2 3.67Å; M1445-L1480 HydrophobicContact CG-CD1 3.67Å; M1445-L1480 HydrophobicContact CG-CD2 3.38Å; M1445-L1480 HydrophobicContact CG-CG 4.18Å; M1445-L1480 HydrophobicContact SD-CD2 4.08Å; R1476-L1480 WeakPolarHBondContact O-CB 3.45Å; R1476-L1480 PolarHBondContact O-N 2.95Å; F1477-L1480 WeakPolarHBondContact O-CB 3.19Å; F1477-L1480 PolarHBondContact O-N 2.89Å; F1477-L1480 VanDerWaalsContact O-N 3.13Å; L1478-L1480 VanDerWaalsContact C-N 3.3Å; L1478-L1480 PolarHBondContact O-N 3.45Å; L1480-D1483 PolarHBondContact O-N 3.38Å; L1480-L1484 VanDerWaalsContact O-CB 3.32Å; L1480-L1484 WeakPolarHBondContact O-CB 3.33Å; L1480-L1484 PolarHBondContact O-N 3.38Å |
| 1481 | K | 71.8 | Confident | 72.9 | Confident | 108 Ų | 108 | 76.7 Ų | 76.7 | 47% | 0.47 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -63.7 | -42.6 | 172.6 | 177 | 179.9 | 158.9 | 176.9 | 0 | 111.8 | F1477 L1478 L1484 H1485 | F1477-K1481 PolarHBondContact O-N 3.22Å; L1478-K1481 PolarHBondContact O-N 3.44Å; K1481-L1484 WeakPolarHBondContact O-CB 3.1Å; K1481-L1484 PolarHBondContact O-N 3.39Å; K1481-H1485 WeakPolarHBondContact O-CB 3.43Å; K1481-H1485 PolarHBondContact O-N 3.07Å |
| 1482 | D | 77.1 | Confident | 74.5 | Confident | 90 Ų | 90 | 73 Ų | 73 | 48% | 0.481 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -64.4 | -43.9 | 175.3 | -88.4 | 5.2 | 0 | 0 | 0 | 111.8 | L1478 K1479 L1484 H1485 K1486 | L1478-D1482 WeakPolarHBondContact O-CB 3.13Å; L1478-D1482 PolarHBondContact O-N 2.99Å; K1479-D1482 PolarHBondContact O-N 3.38Å; D1482-L1484 VanDerWaalsContact C-N 3.35Å; D1482-H1485 PolarHBondContact O-N 2.83Å; D1482-K1486 WeakPolarHBondContact O-CB 3.04Å; D1482-K1486 WeakPolarHBondContact O-CG 3.31Å; D1482-K1486 PolarHBondContact O-N 3.31Å |
| 1483 | D | 79.7 | Confident | 75.4 | Confident | 29 Ų | 29 | 70.3 Ų | 70.3 | 16% | 0.155 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63.7 | -41.6 | 177 | -71.4 | -12.2 | 0 | 0 | 0 | 110.4 | L1441 R1444 K1479 L1480 H1485 K1486 I1487 | L1441-D1483 HydrophobicContact CD2-CB 4.39Å; R1444-D1483 IonicContact CZ-OD2 3.62Å; R1444-D1483 IonicContact NH1-OD2 3.74Å; R1444-D1483 PolarHBondContact NH1-OD2 2.95Å; R1444-D1483 IonicContact NH2-OD2 2.97Å; K1479-D1483 WeakPolarHBondContact O-CB 3.39Å; K1479-D1483 PolarHBondContact O-N 2.79Å; L1480-D1483 PolarHBondContact O-N 3.38Å; D1483-H1485 VanDerWaalsContact C-N 3.33Å; D1483-H1485 PolarHBondContact O-N 3.47Å; D1483-K1486 PolarHBondContact O-N 2.76Å; D1483-I1487 WeakPolarHBondContact O-CD1 2.93Å; D1483-I1487 VanDerWaalsContact O-CG1 3.24Å; D1483-I1487 WeakPolarHBondContact O-CG1 3.39Å; D1483-I1487 PolarHBondContact O-N 3.11Å |
| 1484 | L | 75.8 | Confident | 76.3 | Confident | 31 Ų | 31 | 73.8 Ų | 73.8 | 16% | 0.162 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -57.8 | -44.9 | 172.6 | -178 | 74.5 | 0 | 0 | 0 | 111.8 | L1335 V1339 L1441 L1480 K1481 D1482 I1487 L1489 | L1335-L1484 HydrophobicContact CD1-CD2 3.48Å; L1335-L1484 VanDerWaalsContact CD1-CD2 3.48Å; L1335-L1484 HydrophobicContact CD2-CD2 4.18Å; L1335-L1484 HydrophobicContact CG-CD2 4Å; V1339-L1484 HydrophobicContact CG2-CD1 3.6Å; V1339-L1484 HydrophobicContact CG2-CD2 4.34Å; L1441-L1484 HydrophobicContact CD1-CD1 3.6Å; L1480-L1484 VanDerWaalsContact O-CB 3.32Å; L1480-L1484 WeakPolarHBondContact O-CB 3.33Å; L1480-L1484 PolarHBondContact O-N 3.38Å; K1481-L1484 WeakPolarHBondContact O-CB 3.1Å; K1481-L1484 PolarHBondContact O-N 3.39Å; D1482-L1484 VanDerWaalsContact C-N 3.35Å; L1484-I1487 PolarHBondContact O-N 3.32Å; L1484-L1489 HydrophobicContact CD1-CD1 3.28Å; L1484-L1489 HydrophobicContact CG-CD1 4.41Å |
| 1485 | H | 74.5 | Confident | 77.2 | Confident | 152 Ų | 152 | 75.1 Ų | 75.1 | 70% | 0.704 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -67.4 | -36.7 | 179.2 | -144.4 | -88.9 | 0 | 0 | 0 | 111.8 | K1481 D1482 D1483 Q1488 | K1481-H1485 WeakPolarHBondContact O-CB 3.43Å; K1481-H1485 PolarHBondContact O-N 3.07Å; D1482-H1485 PolarHBondContact O-N 2.83Å; D1483-H1485 VanDerWaalsContact C-N 3.33Å; D1483-H1485 PolarHBondContact O-N 3.47Å; H1485-Q1488 WeakPolarHBondContact O-CG 3.11Å; H1485-Q1488 PolarHBondContact O-N 2.78Å |
| 1486 | K | 78.6 | Confident | 78 | Confident | 144 Ų | 144 | 71.4 Ų | 71.4 | 63% | 0.626 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -69 | -32.5 | 175.7 | -76.7 | 174.1 | -176.7 | 171.1 | 0 | 113.6 | D1482 D1483 Q1488 | D1482-K1486 WeakPolarHBondContact O-CB 3.04Å; D1482-K1486 WeakPolarHBondContact O-CG 3.31Å; D1482-K1486 PolarHBondContact O-N 3.31Å; D1483-K1486 PolarHBondContact O-N 2.76Å; K1486-Q1488 PolarHBondContact O-N 3.21Å |
| 1487 | I | 80.6 | Confident | 78.6 | Confident | 33 Ų | 33 | 70 Ų | 70 | 17% | 0.169 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -68.2 | -23.8 | 178.4 | -70.7 | 162.2 | 0 | 0 | 0 | 111 | D1437 L1441 D1483 L1484 L1489 R1492 | D1437-I1487 HydrophobicContact CB-CD1 4.38Å; D1437-I1487 HydrophobicContact CB-CG2 4.43Å; L1441-I1487 HydrophobicContact CD1-CD1 3.45Å; L1441-I1487 VanDerWaalsContact CD1-CD1 3.45Å; L1441-I1487 HydrophobicContact CD2-CD1 4.05Å; L1441-I1487 HydrophobicContact CG-CD1 3.75Å; D1483-I1487 WeakPolarHBondContact O-CD1 2.93Å; D1483-I1487 VanDerWaalsContact O-CG1 3.24Å; D1483-I1487 WeakPolarHBondContact O-CG1 3.39Å; D1483-I1487 PolarHBondContact O-N 3.11Å; L1484-I1487 PolarHBondContact O-N 3.32Å; I1487-L1489 VanDerWaalsContact C-N 3.31Å; I1487-L1489 HydrophobicContact CG2-CD2 4.15Å; I1487-L1489 HydrophobicContact CG2-CG 3.8Å; I1487-L1489 PolarHBondContact O-N 2.71Å; I1487-R1492 WeakPolarHBondContact O-CD 3.24Å |
| 1488 | Q | 83 | Confident | 79 | Confident | 108 Ų | 108 | 74.9 Ų | 74.9 | 51% | 0.505 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.3 | 47.7 | 178 | -63 | -174.2 | -44.6 | 0 | 0 | 112.5 | H1485 K1486 N1490 Q1491 R1492 | H1485-Q1488 WeakPolarHBondContact O-CG 3.11Å; H1485-Q1488 PolarHBondContact O-N 2.78Å; K1486-Q1488 PolarHBondContact O-N 3.21Å; Q1488-N1490 VanDerWaalsContact C-N 3.34Å; Q1488-N1490 PolarHBondContact O-N 3.28Å; Q1488-Q1491 HydrophobicContact CB-CB 4.28Å; Q1488-Q1491 VanDerWaalsContact NE2-OE1 3.13Å; Q1488-Q1491 PolarHBondContact O-N 3.5Å; Q1488-R1492 PolarHBondContact O-N 3.1Å |
| 1489 | L | 78.5 | Confident | 79.6 | Confident | 8 Ų | 8 | 72 Ų | 72 | 4% | 0.042 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -47.2 | -50.5 | -173.7 | -84.4 | 156.8 | 0 | 0 | 0 | 114.1 | L1342 L1434 I1438 L1441 L1484 I1487 Q1491 R1492 L1493 | L1342-L1489 HydrophobicContact CD1-CB 4.11Å; L1342-L1489 HydrophobicContact CD1-CD1 4.33Å; L1434-L1489 HydrophobicContact CD1-CD2 3.68Å; L1434-L1489 HydrophobicContact CG-CD2 4.5Å; I1438-L1489 HydrophobicContact CD1-CD2 3.43Å; I1438-L1489 VanDerWaalsContact CD1-CD2 3.43Å; I1438-L1489 HydrophobicContact CG1-CD2 3.24Å; I1438-L1489 HydrophobicContact CG1-CG 4.49Å; L1441-L1489 HydrophobicContact CD1-CD1 4.26Å; L1484-L1489 HydrophobicContact CD1-CD1 3.28Å; L1484-L1489 HydrophobicContact CG-CD1 4.41Å; I1487-L1489 VanDerWaalsContact C-N 3.31Å; I1487-L1489 HydrophobicContact CG2-CD2 4.15Å; I1487-L1489 HydrophobicContact CG2-CG 3.8Å; I1487-L1489 PolarHBondContact O-N 2.71Å; L1489-Q1491 PolarHBondContact O-N 3.25Å; L1489-R1492 PolarHBondContact O-N 3.3Å; L1489-L1493 VanDerWaalsContact O-CB 3.32Å; L1489-L1493 WeakPolarHBondContact O-CB 3.18Å; L1489-L1493 PolarHBondContact O-N 3.08Å |
| 1490 | N | 78.4 | Confident | 79.8 | Confident | 103 Ų | 103 | 66.4 Ų | 66.4 | 55% | 0.551 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -61.7 | -44 | -179.4 | -75.4 | -22.9 | 0 | 0 | 0 | 112 | L1342 Q1488 L1493 T1494 | L1342-N1490 WeakPolarHBondContact CD2-OD1 3.16Å; Q1488-N1490 VanDerWaalsContact C-N 3.34Å; Q1488-N1490 PolarHBondContact O-N 3.28Å; N1490-L1493 PolarHBondContact O-N 3.46Å; N1490-T1494 PolarHBondContact O-N 2.68Å; N1490-T1494 PolarHBondContact O-OG1 3.12Å |
| 1491 | Q | 81.4 | Confident | 79.7 | Confident | 117 Ų | 117 | 72.8 Ų | 72.8 | 55% | 0.547 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -64.8 | -45.3 | 177.5 | -85.9 | 176.7 | -30.2 | 0 | 0 | 111.7 | Q1488 L1489 L1493 T1494 V1495 | Q1488-Q1491 HydrophobicContact CB-CB 4.28Å; Q1488-Q1491 VanDerWaalsContact NE2-OE1 3.13Å; Q1488-Q1491 PolarHBondContact O-N 3.5Å; L1489-Q1491 PolarHBondContact O-N 3.25Å; Q1491-L1493 VanDerWaalsContact C-N 3.3Å; Q1491-L1493 PolarHBondContact O-N 3.19Å; Q1491-T1494 PolarHBondContact O-N 3.27Å; Q1491-V1495 VanDerWaalsContact O-CG2 3.32Å; Q1491-V1495 WeakPolarHBondContact O-CG2 3.36Å; Q1491-V1495 PolarHBondContact O-N 2.6Å |
| 1492 | R | 85.5 | Confident | 79.9 | Confident | 74 Ų | 74 | 70.2 Ų | 70.2 | 28% | 0.279 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61.3 | -40 | 177.2 | -71.5 | 177.1 | 68.3 | -176.5 | -3.5 | 111.8 | L1434 D1437 I1487 Q1488 L1489 V1495 L1496 | L1434-R1492 HydrophobicContact CD1-CB 3.88Å; L1434-R1492 HydrophobicContact CD2-CB 4.4Å; D1437-R1492 IonicContact OD2-CZ 2.82Å; D1437-R1492 IonicContact OD2-NH1 3.82Å; D1437-R1492 PolarHBondContact OD2-NH1 3.14Å; D1437-R1492 IonicContact OD2-NH2 3.32Å; D1437-R1492 PolarHBondContact OD2-NH2 3.4Å; I1487-R1492 WeakPolarHBondContact O-CD 3.24Å; Q1488-R1492 PolarHBondContact O-N 3.1Å; L1489-R1492 PolarHBondContact O-N 3.3Å; R1492-V1495 PolarHBondContact O-N 2.66Å; R1492-L1496 WeakPolarHBondContact O-CB 3.18Å; R1492-L1496 PolarHBondContact O-N 3.37Å |
| 1493 | L | 81.7 | Confident | 79.7 | Confident | 6 Ų | 6 | 68.3 Ų | 68.3 | 3% | 0.031 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -66.4 | -42.7 | 176.4 | -177.4 | 62.7 | 0 | 0 | 0 | 111.9 | L1342 Q1345 E1349 L1489 N1490 Q1491 L1496 K1497 | L1342-L1493 HydrophobicContact CD2-CD2 4.14Å; Q1345-L1493 HydrophobicContact CB-CD2 3.82Å; E1349-L1493 HydrophobicContact CB-CD1 4.36Å; E1349-L1493 HydrophobicContact CG-CD1 3.76Å; L1489-L1493 VanDerWaalsContact O-CB 3.32Å; L1489-L1493 WeakPolarHBondContact O-CB 3.18Å; L1489-L1493 PolarHBondContact O-N 3.08Å; N1490-L1493 PolarHBondContact O-N 3.46Å; Q1491-L1493 VanDerWaalsContact C-N 3.3Å; Q1491-L1493 PolarHBondContact O-N 3.19Å; L1493-L1496 PolarHBondContact O-N 3.01Å; L1493-K1497 HydrophobicContact CG-CD 4.48Å; L1493-K1497 WeakPolarHBondContact O-CG 3.3Å; L1493-K1497 PolarHBondContact O-N 3.42Å |
| 1494 | T | 80.1 | Confident | 79.2 | Confident | 74 Ų | 74 | 70.4 Ų | 70.4 | 45% | 0.454 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62.2 | -43.3 | 175.6 | -59.4 | 0 | 0 | 0 | 0 | 111.7 | N1490 Q1491 K1497 Q1498 | N1490-T1494 PolarHBondContact O-N 2.68Å; N1490-T1494 PolarHBondContact O-OG1 3.12Å; Q1491-T1494 PolarHBondContact O-N 3.27Å; T1494-K1497 PolarHBondContact O-N 3.36Å; T1494-Q1498 WeakPolarHBondContact O-CG 3.45Å; T1494-Q1498 PolarHBondContact O-N 2.69Å |
| 1495 | V | 83.8 | Confident | 78.9 | Confident | 77 Ų | 77 | 73.8 Ų | 73.8 | 47% | 0.467 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -62.4 | -43.3 | 176.1 | 172 | 0 | 0 | 0 | 0 | 110.9 | Q1491 R1492 Q1498 L1499 | Q1491-V1495 VanDerWaalsContact O-CG2 3.32Å; Q1491-V1495 WeakPolarHBondContact O-CG2 3.36Å; Q1491-V1495 PolarHBondContact O-N 2.6Å; R1492-V1495 PolarHBondContact O-N 2.66Å; V1495-Q1498 PolarHBondContact O-N 3.36Å; V1495-L1499 HydrophobicContact CG1-CD1 3.97Å; V1495-L1499 HydrophobicContact CG1-CG 4.49Å; V1495-L1499 WeakPolarHBondContact O-CG 3.48Å; V1495-L1499 PolarHBondContact O-N 3.26Å |
| 1496 | L | 81.4 | Confident | 79.1 | Confident | 4 Ų | 4 | 69.9 Ų | 69.9 | 2% | 0.021 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -63.6 | -42.4 | 177.8 | -170 | 65.6 | 0 | 0 | 0 | 112.1 | E1349 S1427 R1492 L1493 L1499 N1500 | E1349-L1496 HydrophobicContact CB-CD2 3.65Å; E1349-L1496 HydrophobicContact CB-CG 4.11Å; S1427-L1496 WeakPolarHBondContact O-CD1 2.99Å; R1492-L1496 WeakPolarHBondContact O-CB 3.18Å; R1492-L1496 PolarHBondContact O-N 3.37Å; L1493-L1496 PolarHBondContact O-N 3.01Å; L1496-L1499 PolarHBondContact O-N 2.88Å; L1496-N1500 WeakPolarHBondContact O-CB 3.18Å; L1496-N1500 PolarHBondContact O-N 2.97Å |
| 1497 | K | 81.5 | Confident | 78.8 | Confident | 63 Ų | 63 | 63.2 Ų | 63.2 | 27% | 0.274 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -58 | -48.2 | 174.4 | -81.3 | 176.5 | 179.4 | 178.3 | 0 | 112 | E1349 L1493 T1494 N1500 Q1501 | E1349-K1497 HydrophobicContact CG-CG 3.74Å; E1349-K1497 VanDerWaalsContact OE1-CE 3.29Å; E1349-K1497 WeakPolarHBondContact OE1-CE 3.35Å; E1349-K1497 WeakPolarHBondContact OE1-CG 3.02Å; L1493-K1497 HydrophobicContact CG-CD 4.48Å; L1493-K1497 WeakPolarHBondContact O-CG 3.3Å; L1493-K1497 PolarHBondContact O-N 3.42Å; T1494-K1497 PolarHBondContact O-N 3.36Å; K1497-N1500 PolarHBondContact O-N 3.31Å; K1497-Q1501 WeakPolarHBondContact O-CB 3.49Å; K1497-Q1501 WeakPolarHBondContact O-CG 3.12Å; K1497-Q1501 PolarHBondContact O-N 2.79Å |
| 1498 | Q | 81.6 | Confident | 78.3 | Confident | 125 Ų | 125 | 70.3 Ų | 70.3 | 58% | 0.584 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -63.8 | -41.9 | 179.5 | -74.1 | 177.9 | -17.1 | 0 | 0 | 111.9 | T1494 V1495 S1502 | T1494-Q1498 WeakPolarHBondContact O-CG 3.45Å; T1494-Q1498 PolarHBondContact O-N 2.69Å; V1495-Q1498 PolarHBondContact O-N 3.36Å; Q1498-S1502 WeakPolarHBondContact O-CB 3.21Å; Q1498-S1502 PolarHBondContact O-N 2.96Å |
| 1499 | L | 81.6 | Confident | 77.9 | Confident | 37 Ų | 37 | 72.1 Ų | 72.1 | 19% | 0.194 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -61.9 | -48.4 | 175.3 | -74.6 | 169.1 | 0 | 0 | 0 | 111.6 | T1423 V1495 L1496 Q1501 R1503 | T1423-L1499 HydrophobicContact CG2-CD2 4.12Å; V1495-L1499 HydrophobicContact CG1-CD1 3.97Å; V1495-L1499 HydrophobicContact CG1-CG 4.49Å; V1495-L1499 WeakPolarHBondContact O-CG 3.48Å; V1495-L1499 PolarHBondContact O-N 3.26Å; L1496-L1499 PolarHBondContact O-N 2.88Å; L1499-Q1501 PolarHBondContact O-N 3.42Å; L1499-R1503 WeakPolarHBondContact O-CB 3.01Å; L1499-R1503 WeakPolarHBondContact O-CG 3.02Å; L1499-R1503 PolarHBondContact O-N 2.86Å; L1499-R1503 VanDerWaalsContact O-N 3.13Å |
| 1500 | N | 81.3 | Confident | 77.6 | Confident | 4 Ų | 4 | 72 Ų | 72 | 2% | 0.021 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -61.2 | -45.2 | 179.5 | -75.9 | -19.2 | 0 | 0 | 0 | 112.2 | E1349 A1352 L1356 L1496 K1497 T1504 | E1349-N1500 PolarHBondContact O-ND2 2.57Å; E1349-N1500 PolarHBondContact OE2-ND2 3.49Å; E1349-N1500 VanDerWaalsContact OE2-ND2 3.08Å; A1352-N1500 HydrophobicContact CB-CB 4.48Å; L1356-N1500 HydrophobicContact CD1-CB 4.16Å; L1356-N1500 WeakPolarHBondContact CD1-OD1 3.38Å; L1496-N1500 WeakPolarHBondContact O-CB 3.18Å; L1496-N1500 PolarHBondContact O-N 2.97Å; K1497-N1500 PolarHBondContact O-N 3.31Å; N1500-T1504 PolarHBondContact O-N 2.76Å; N1500-T1504 VanDerWaalsContact O-N 3.15Å; N1500-T1504 PolarHBondContact O-OG1 3.15Å |
| 1501 | Q | 75.8 | Confident | 77.3 | Confident | 141 Ų | 141 | 69.1 Ų | 69.1 | 66% | 0.659 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -64.8 | -48.7 | -179.1 | -74.9 | 178.3 | -12.4 | 0 | 0 | 112.1 | K1497 L1499 R1503 | K1497-Q1501 WeakPolarHBondContact O-CB 3.49Å; K1497-Q1501 WeakPolarHBondContact O-CG 3.12Å; K1497-Q1501 PolarHBondContact O-N 2.79Å; L1499-Q1501 PolarHBondContact O-N 3.42Å; Q1501-R1503 VanDerWaalsContact C-N 3.33Å; Q1501-R1503 PolarHBondContact O-N 2.85Å |
| 1502 | S | 76.2 | Confident | 76.9 | Confident | 55 Ų | 55 | 69.1 Ų | 69.1 | 39% | 0.385 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -61.3 | -40.7 | 179.9 | -168.6 | 0 | 0 | 0 | 0 | 112.2 | Q1498 E1506 | Q1498-S1502 WeakPolarHBondContact O-CB 3.21Å; Q1498-S1502 PolarHBondContact O-N 2.96Å; S1502-E1506 PolarHBondContact O-N 3.1Å |
| 1503 | R | 73.1 | Confident | 76.4 | Confident | 50 Ų | 50 | 68.6 Ų | 68.6 | 19% | 0.189 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -79.3 | -27.9 | -173 | -61.5 | -70.5 | 166.7 | -89.8 | -8.1 | 113.5 | L1356 L1499 Q1501 T1505 E1506 L1507 | L1356-R1503 HydrophobicContact CD1-CB 4.45Å; L1499-R1503 WeakPolarHBondContact O-CB 3.01Å; L1499-R1503 WeakPolarHBondContact O-CG 3.02Å; L1499-R1503 PolarHBondContact O-N 2.86Å; L1499-R1503 VanDerWaalsContact O-N 3.13Å; Q1501-R1503 VanDerWaalsContact C-N 3.33Å; Q1501-R1503 PolarHBondContact O-N 2.85Å; R1503-T1505 VanDerWaalsContact C-N 3.26Å; R1503-T1505 PolarHBondContact O-N 3.29Å; R1503-E1506 VanDerWaalsContact CD-OE2 3.24Å; R1503-E1506 WeakPolarHBondContact CD-OE2 3.25Å; R1503-E1506 IonicContact CZ-OE1 3.54Å; R1503-E1506 IonicContact CZ-OE2 3.02Å; R1503-E1506 IonicContact NE-OE2 3.09Å; R1503-E1506 IonicContact NH1-OE1 3.88Å; R1503-E1506 PolarHBondContact NH1-OE1 3.48Å; R1503-E1506 IonicContact NH1-OE2 2.93Å; R1503-E1506 PolarHBondContact NH1-OE2 3.19Å; R1503-E1506 PolarHBondContact O-N 3.19Å; R1503-L1507 WeakPolarHBondContact O-CB 3.4Å; R1503-L1507 PolarHBondContact O-N 2.61Å |
| 1504 | T | 69.2 | Low | 76 | Confident | 72 Ų | 72 | 68.6 Ų | 68.6 | 44% | 0.442 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -59.6 | -40.6 | 173.2 | -53.8 | 0 | 0 | 0 | 0 | 110.8 | N1500 Y1508 | N1500-T1504 PolarHBondContact O-N 2.76Å; N1500-T1504 VanDerWaalsContact O-N 3.15Å; N1500-T1504 PolarHBondContact O-OG1 3.15Å; T1504-Y1508 PolarHBondContact O-N 3.49Å |
| 1505 | T | 70.3 | Confident | 75.4 | Confident | 103 Ų | 103 | 68.8 Ų | 68.8 | 63% | 0.632 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -70.5 | -42.3 | 178.3 | -52.5 | 0 | 0 | 0 | 0 | 112.4 | R1503 Y1508 Y1509 | R1503-T1505 VanDerWaalsContact C-N 3.26Å; R1503-T1505 PolarHBondContact O-N 3.29Å; T1505-Y1508 PolarHBondContact O-N 3.33Å; T1505-Y1509 PolarHBondContact O-N 3.43Å |
| 1506 | E | 76.8 | Confident | 74.8 | Confident | 70 Ų | 70 | 70.2 Ų | 70.2 | 33% | 0.327 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -64.8 | -43.1 | 177.9 | -74.3 | 168.4 | -167.9 | 0 | 0 | 112.2 | I1420 S1502 R1503 Y1508 Y1509 L1510 | I1420-E1506 HydrophobicContact CD1-CB 4.43Å; S1502-E1506 PolarHBondContact O-N 3.1Å; R1503-E1506 VanDerWaalsContact CD-OE2 3.24Å; R1503-E1506 WeakPolarHBondContact CD-OE2 3.25Å; R1503-E1506 IonicContact CZ-OE1 3.54Å; R1503-E1506 IonicContact CZ-OE2 3.02Å; R1503-E1506 IonicContact NE-OE2 3.09Å; R1503-E1506 IonicContact NH1-OE1 3.88Å; R1503-E1506 PolarHBondContact NH1-OE1 3.48Å; R1503-E1506 IonicContact NH1-OE2 2.93Å; R1503-E1506 PolarHBondContact NH1-OE2 3.19Å; R1503-E1506 PolarHBondContact O-N 3.19Å; E1506-Y1508 VanDerWaalsContact C-N 3.33Å; E1506-Y1508 PolarHBondContact O-N 3.17Å; E1506-Y1509 PolarHBondContact O-N 2.71Å; E1506-L1510 WeakPolarHBondContact O-CB 3.26Å; E1506-L1510 PolarHBondContact O-N 2.63Å |
| 1507 | L | 73.6 | Confident | 74.2 | Confident | 4 Ų | 4 | 71.2 Ų | 71.2 | 2% | 0.021 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -62 | -39.9 | 177.5 | -88.4 | 165.4 | 0 | 0 | 0 | 112.9 | L1356 Q1359 T1360 I1363 I1420 R1503 Y1509 L1510 S1511 | L1356-L1507 HydrophobicContact CB-CD1 4.39Å; L1356-L1507 HydrophobicContact CD2-CD1 3.49Å; L1356-L1507 VanDerWaalsContact CD2-CD1 3.49Å; Q1359-L1507 HydrophobicContact CB-CD1 4.38Å; T1360-L1507 HydrophobicContact CG2-CD1 4.45Å; T1360-L1507 HydrophobicContact CG2-CD2 3.91Å; I1363-L1507 HydrophobicContact CD1-CD2 3.34Å; I1420-L1507 HydrophobicContact CG2-CD1 4.43Å; I1420-L1507 HydrophobicContact CG2-CD2 3.86Å; I1420-L1507 HydrophobicContact CG2-CG 3.86Å; R1503-L1507 WeakPolarHBondContact O-CB 3.4Å; R1503-L1507 PolarHBondContact O-N 2.61Å; L1507-Y1509 VanDerWaalsContact C-N 3.32Å; L1507-Y1509 PolarHBondContact O-N 2.8Å; L1507-L1510 PolarHBondContact O-N 3.35Å; L1507-S1511 VanDerWaalsContact O-CB 3.29Å; L1507-S1511 WeakPolarHBondContact O-CB 3.41Å; L1507-S1511 PolarHBondContact O-N 3.4Å |
| 1508 | Y | 70.4 | Confident | 73.6 | Confident | 181 Ų | 181 | 72.9 Ų | 72.9 | 71% | 0.71 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -61.2 | -43.4 | 175.6 | 178.8 | -99.6 | 0 | 0 | 0 | 111.4 | T1504 T1505 E1506 K1512 | T1504-Y1508 PolarHBondContact O-N 3.49Å; T1505-Y1508 PolarHBondContact O-N 3.33Å; E1506-Y1508 VanDerWaalsContact C-N 3.33Å; E1506-Y1508 PolarHBondContact O-N 3.17Å; Y1508-K1512 PolarHBondContact O-N 3.34Å |
| 1509 | Y | 73.4 | Confident | 72.8 | Confident | 146 Ų | 146 | 72.3 Ų | 72.3 | 57% | 0.573 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -67.2 | -44 | 177.6 | -174.8 | -103.1 | 0 | 0 | 0 | 112.3 | T1505 E1506 L1507 S1511 K1512 Q1513 | T1505-Y1509 PolarHBondContact O-N 3.43Å; E1506-Y1509 PolarHBondContact O-N 2.71Å; L1507-Y1509 VanDerWaalsContact C-N 3.32Å; L1507-Y1509 PolarHBondContact O-N 2.8Å; Y1509-S1511 PolarHBondContact O-N 3.02Å; Y1509-K1512 WeakPolarHBondContact O-CB 3.29Å; Y1509-K1512 PolarHBondContact O-N 3.32Å; Y1509-Q1513 HydrophobicContact CD1-CG 4.43Å; Y1509-Q1513 HydrophobicContact CE1-CG 4.07Å; Y1509-Q1513 VanDerWaalsContact CZ-NE2 3.27Å; Y1509-Q1513 PolarHBondContact O-N 2.69Å; Y1509-Q1513 PolarHBondContact OH-NE2 3.36Å |
| 1510 | L | 73.5 | Confident | 72.1 | Confident | 6 Ų | 6 | 77.2 Ų | 77.2 | 3% | 0.031 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -61.8 | -44.2 | 177.8 | -159.9 | 86 | 0 | 0 | 0 | 111.7 | I1363 E1416 T1417 I1420 E1506 L1507 K1512 Q1513 I1514 | I1363-L1510 HydrophobicContact CD1-CD2 4.3Å; I1363-L1510 HydrophobicContact CG2-CD2 4.12Å; E1416-L1510 HydrophobicContact CB-CD1 4.2Å; E1416-L1510 HydrophobicContact CG-CD1 3.89Å; T1417-L1510 HydrophobicContact CG2-CD2 4.25Å; I1420-L1510 HydrophobicContact CD1-CD1 4.07Å; I1420-L1510 HydrophobicContact CD1-CD2 3.9Å; I1420-L1510 HydrophobicContact CD1-CG 4.39Å; E1506-L1510 WeakPolarHBondContact O-CB 3.26Å; E1506-L1510 PolarHBondContact O-N 2.63Å; L1507-L1510 PolarHBondContact O-N 3.35Å; L1510-K1512 VanDerWaalsContact C-N 3.3Å; L1510-K1512 PolarHBondContact O-N 2.79Å; L1510-Q1513 PolarHBondContact O-N 2.99Å; L1510-I1514 HydrophobicContact CD2-CD1 4.32Å; L1510-I1514 HydrophobicContact CG-CD1 4.24Å; L1510-I1514 WeakPolarHBondContact O-CG1 3.22Å; L1510-I1514 PolarHBondContact O-N 2.81Å |
| 1511 | S | 70.8 | Confident | 71.5 | Confident | 42 Ų | 42 | 78.4 Ų | 78.4 | 29% | 0.294 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -59 | -40.3 | 175.4 | 178.1 | 0 | 0 | 0 | 0 | 112.1 | L1507 Y1509 N1515 | L1507-S1511 VanDerWaalsContact O-CB 3.29Å; L1507-S1511 WeakPolarHBondContact O-CB 3.41Å; L1507-S1511 PolarHBondContact O-N 3.4Å; Y1509-S1511 PolarHBondContact O-N 3.02Å; S1511-N1515 WeakPolarHBondContact O-CB 3.35Å; S1511-N1515 PolarHBondContact O-N 2.76Å; S1511-N1515 VanDerWaalsContact O-N 3.1Å; S1511-N1515 PolarHBondContact O-ND2 3.32Å |
| 1512 | K | 73.9 | Confident | 70.8 | Confident | 118 Ų | 118 | 75.6 Ų | 75.6 | 51% | 0.513 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -64 | -46.2 | 175.1 | -171.1 | -179.1 | 175 | -174.2 | 0 | 111.6 | Y1508 Y1509 L1510 I1514 N1515 E1516 | Y1508-K1512 PolarHBondContact O-N 3.34Å; Y1509-K1512 WeakPolarHBondContact O-CB 3.29Å; Y1509-K1512 PolarHBondContact O-N 3.32Å; L1510-K1512 VanDerWaalsContact C-N 3.3Å; L1510-K1512 PolarHBondContact O-N 2.79Å; K1512-I1514 PolarHBondContact O-N 3.11Å; K1512-N1515 PolarHBondContact O-N 3.03Å; K1512-E1516 WeakPolarHBondContact CE-OE1 3.48Å; K1512-E1516 PolarHBondContact O-N 3.48Å |
| 1513 | Q | 75.2 | Confident | 70.2 | Confident | 63 Ų | 63 | 78.6 Ų | 78.6 | 29% | 0.294 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -61.8 | -43.3 | 177.7 | -72.7 | -160.3 | -4.9 | 0 | 0 | 112.7 | Y1509 L1510 N1515 E1516 F1517 | Y1509-Q1513 HydrophobicContact CD1-CG 4.43Å; Y1509-Q1513 HydrophobicContact CE1-CG 4.07Å; Y1509-Q1513 VanDerWaalsContact CZ-NE2 3.27Å; Y1509-Q1513 PolarHBondContact O-N 2.69Å; Y1509-Q1513 PolarHBondContact OH-NE2 3.36Å; L1510-Q1513 PolarHBondContact O-N 2.99Å; Q1513-N1515 VanDerWaalsContact C-N 3.32Å; Q1513-N1515 PolarHBondContact O-N 3.42Å; Q1513-E1516 PolarHBondContact O-N 3.3Å; Q1513-F1517 WeakPolarHBondContact O-CB 3.48Å; Q1513-F1517 PolarHBondContact O-N 3.27Å |
| 1514 | I | 72 | Confident | 69.6 | Low | 5 Ų | 5 | 79.4 Ų | 79.4 | 3% | 0.026 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -63.1 | -40.2 | 178.5 | -69.2 | 169.3 | 0 | 0 | 0 | 111 | I1363 I1366 L1367 I1370 I1413 L1510 K1512 F1517 K1518 | I1363-I1514 HydrophobicContact CG2-CD1 3.55Å; I1366-I1514 HydrophobicContact CG2-CG2 3.68Å; L1367-I1514 HydrophobicContact CD1-CD1 3.76Å; L1367-I1514 HydrophobicContact CD1-CG1 4.18Å; I1370-I1514 HydrophobicContact CD1-CG2 4.23Å; I1413-I1514 HydrophobicContact CG2-CD1 4.42Å; I1413-I1514 HydrophobicContact CG2-CG1 4.02Å; L1510-I1514 HydrophobicContact CD2-CD1 4.32Å; L1510-I1514 HydrophobicContact CG-CD1 4.24Å; L1510-I1514 WeakPolarHBondContact O-CG1 3.22Å; L1510-I1514 PolarHBondContact O-N 2.81Å; K1512-I1514 PolarHBondContact O-N 3.11Å; I1514-F1517 PolarHBondContact O-N 3.45Å; I1514-K1518 WeakPolarHBondContact O-CB 3.48Å; I1514-K1518 PolarHBondContact O-N 3.24Å |
| 1515 | N | 67.6 | Low | 69.2 | Low | 79 Ų | 79 | 79.2 Ų | 79.2 | 42% | 0.422 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -67.9 | -42.3 | 177.5 | -78.3 | -47.7 | 0 | 0 | 0 | 112.6 | S1511 K1512 Q1513 F1517 K1518 L1519 | S1511-N1515 WeakPolarHBondContact O-CB 3.35Å; S1511-N1515 PolarHBondContact O-N 2.76Å; S1511-N1515 VanDerWaalsContact O-N 3.1Å; S1511-N1515 PolarHBondContact O-ND2 3.32Å; K1512-N1515 PolarHBondContact O-N 3.03Å; Q1513-N1515 VanDerWaalsContact C-N 3.32Å; Q1513-N1515 PolarHBondContact O-N 3.42Å; N1515-F1517 VanDerWaalsContact C-N 3.32Å; N1515-F1517 PolarHBondContact O-N 3.36Å; N1515-K1518 PolarHBondContact O-N 3.25Å; N1515-L1519 WeakPolarHBondContact O-CG 3.25Å; N1515-L1519 PolarHBondContact O-N 2.83Å; N1515-L1519 VanDerWaalsContact O-N 3.13Å |
| 1516 | E | 70.6 | Confident | 68.6 | Low | 107 Ų | 107 | 83.1 Ų | 83.1 | 50% | 0.5 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -60.7 | -42.6 | 172.8 | -77.7 | 176.3 | -175.4 | 0 | 0 | 111.3 | K1512 Q1513 L1519 H1520 | K1512-E1516 WeakPolarHBondContact CE-OE1 3.48Å; K1512-E1516 PolarHBondContact O-N 3.48Å; Q1513-E1516 PolarHBondContact O-N 3.3Å; E1516-L1519 PolarHBondContact O-N 2.95Å; E1516-H1520 PolarHBondContact O-N 3.11Å |
| 1517 | F | 70.2 | Confident | 67.5 | Low | 25 Ų | 25 | 83.8 Ų | 83.8 | 11% | 0.11 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -62.4 | -44.7 | 176.3 | -178 | -88.7 | 0 | 0 | 0 | 112.3 | I1370 I1406 I1409 V1410 Q1513 I1514 N1515 L1519 H1520 Y1521 | I1370-F1517 HydrophobicContact CD1-CD1 4.31Å; I1370-F1517 HydrophobicContact CG2-CD1 4.38Å; I1370-F1517 HydrophobicContact CG2-CE1 3.73Å; I1406-F1517 HydrophobicContact CG2-CE2 3.77Å; I1406-F1517 HydrophobicContact CG2-CZ 3.47Å; I1406-F1517 VanDerWaalsContact CG2-CZ 3.47Å; I1409-F1517 HydrophobicContact CG2-CD2 4.29Å; I1409-F1517 HydrophobicContact CG2-CE2 4.35Å; V1410-F1517 HydrophobicContact CG2-CD1 4.44Å; V1410-F1517 HydrophobicContact CG2-CD2 4.48Å; V1410-F1517 HydrophobicContact CG2-CE1 3.57Å; V1410-F1517 HydrophobicContact CG2-CE2 3.6Å; V1410-F1517 HydrophobicContact CG2-CZ 3.06Å; Q1513-F1517 WeakPolarHBondContact O-CB 3.48Å; Q1513-F1517 PolarHBondContact O-N 3.27Å; I1514-F1517 PolarHBondContact O-N 3.45Å; N1515-F1517 VanDerWaalsContact C-N 3.32Å; N1515-F1517 PolarHBondContact O-N 3.36Å; F1517-L1519 VanDerWaalsContact C-N 3.28Å; F1517-L1519 PolarHBondContact O-N 3.09Å; F1517-H1520 PolarHBondContact O-N 3.24Å; F1517-H1520 VanDerWaalsContact O-N 3.17Å; F1517-Y1521 PolarHBondContact O-N 2.76Å |
| 1518 | K | 67.7 | Low | 66.6 | Low | 98 Ų | 98 | 87.5 Ų | 87.5 | 43% | 0.426 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -56.1 | -43.7 | 176.3 | -178.3 | -174.4 | 171.4 | -169.6 | 0 | 111.2 | I1514 N1515 Y1521 E1522 | I1514-K1518 WeakPolarHBondContact O-CB 3.48Å; I1514-K1518 PolarHBondContact O-N 3.24Å; N1515-K1518 PolarHBondContact O-N 3.25Å; K1518-Y1521 PolarHBondContact O-N 3.23Å; K1518-E1522 VanDerWaalsContact CE-OE1 3.27Å; K1518-E1522 WeakPolarHBondContact CE-OE1 3.25Å; K1518-E1522 WeakPolarHBondContact O-CG 3.41Å; K1518-E1522 PolarHBondContact O-N 3.12Å |
| 1519 | L | 65.4 | Low | 65.6 | Low | 112 Ų | 112 | 83.1 Ų | 83.1 | 59% | 0.586 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -64.7 | -42.6 | 177.1 | -69.4 | 167.3 | 0 | 0 | 0 | 112.1 | N1515 E1516 F1517 Y1521 E1522 H1523 | N1515-L1519 WeakPolarHBondContact O-CG 3.25Å; N1515-L1519 PolarHBondContact O-N 2.83Å; N1515-L1519 VanDerWaalsContact O-N 3.13Å; E1516-L1519 PolarHBondContact O-N 2.95Å; F1517-L1519 VanDerWaalsContact C-N 3.28Å; F1517-L1519 PolarHBondContact O-N 3.09Å; L1519-Y1521 VanDerWaalsContact C-N 3.35Å; L1519-Y1521 PolarHBondContact O-N 3.27Å; L1519-E1522 PolarHBondContact O-N 3.33Å; L1519-H1523 WeakPolarHBondContact O-CB 3.42Å; L1519-H1523 PolarHBondContact O-N 3.33Å |
| 1520 | H | 67.3 | Low | 64.3 | Low | 141 Ų | 141 | 82.5 Ų | 82.5 | 65% | 0.653 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -62 | -41.3 | 175.4 | -112.9 | -132.1 | 0 | 0 | 0 | 112.2 | E1516 F1517 H1523 L1524 | E1516-H1520 PolarHBondContact O-N 3.11Å; F1517-H1520 PolarHBondContact O-N 3.24Å; F1517-H1520 VanDerWaalsContact O-N 3.17Å; H1520-H1523 WeakPolarHBondContact O-CB 3.27Å; H1520-H1523 PolarHBondContact O-N 3.06Å; H1520-L1524 PolarHBondContact O-N 2.72Å |
| 1521 | Y | 68.1 | Low | 63.2 | Low | 29 Ų | 29 | 86.6 Ų | 86.6 | 11% | 0.114 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -66.9 | -44 | 177.6 | -171.8 | -97.1 | 0 | 0 | 0 | 112.5 | R1373 I1374 D1377 F1517 K1518 L1519 H1523 L1524 Q1525 | R1373-Y1521 HydrophobicContact CB-CE1 4.37Å; I1374-Y1521 HydrophobicContact CG1-CE2 3.8Å; D1377-Y1521 PolarHBondContact OD2-OH 3.19Å; F1517-Y1521 PolarHBondContact O-N 2.76Å; K1518-Y1521 PolarHBondContact O-N 3.23Å; L1519-Y1521 VanDerWaalsContact C-N 3.35Å; L1519-Y1521 PolarHBondContact O-N 3.27Å; Y1521-H1523 VanDerWaalsContact C-N 3.25Å; Y1521-H1523 PolarHBondContact O-N 3.46Å; Y1521-L1524 PolarHBondContact O-N 2.99Å; Y1521-Q1525 HydrophobicContact CD1-CG 4.16Å; Y1521-Q1525 HydrophobicContact CE1-CG 3.8Å; Y1521-Q1525 PolarHBondContact O-N 3.03Å |
| 1522 | E | 62.5 | Low | 62 | Low | 82 Ų | 82 | 89.3 Ų | 89.3 | 38% | 0.383 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -60.6 | -37.4 | 174.9 | -75.3 | 177.4 | -178.4 | 0 | 0 | 111.5 | K1518 L1519 Q1525 R1526 | K1518-E1522 VanDerWaalsContact CE-OE1 3.27Å; K1518-E1522 WeakPolarHBondContact CE-OE1 3.25Å; K1518-E1522 WeakPolarHBondContact O-CG 3.41Å; K1518-E1522 PolarHBondContact O-N 3.12Å; L1519-E1522 PolarHBondContact O-N 3.33Å; E1522-Q1525 PolarHBondContact O-N 3.22Å; E1522-R1526 PolarHBondContact O-N 3.25Å |
| 1523 | H | 62.6 | Low | 60.4 | Low | 118 Ų | 118 | 87.8 Ų | 87.8 | 55% | 0.546 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -62.6 | -46.7 | 173.2 | -172.7 | 104.8 | 0 | 0 | 0 | 112.1 | L1519 H1520 Y1521 R1526 I1527 | L1519-H1523 WeakPolarHBondContact O-CB 3.42Å; L1519-H1523 PolarHBondContact O-N 3.33Å; H1520-H1523 WeakPolarHBondContact O-CB 3.27Å; H1520-H1523 PolarHBondContact O-N 3.06Å; Y1521-H1523 VanDerWaalsContact C-N 3.25Å; Y1521-H1523 PolarHBondContact O-N 3.46Å; H1523-R1526 WeakPolarHBondContact O-CA 3.49Å; H1523-R1526 VanDerWaalsContact O-CB 3.27Å; H1523-R1526 WeakPolarHBondContact O-CB 3.48Å; H1523-R1526 PolarHBondContact O-N 3.29Å; H1523-R1526 VanDerWaalsContact O-N 3.11Å; H1523-I1527 VanDerWaalsContact CD2-CD1 3.46Å; H1523-I1527 WeakPolarHBondContact CD2-CD1 3.48Å; H1523-I1527 WeakPolarHBondContact NE2-CD1 3.29Å; H1523-I1527 PolarHBondContact O-N 3.1Å |
| 1524 | L | 60.9 | Low | 58.7 | Low | 67 Ų | 67 | 90.1 Ų | 90.1 | 35% | 0.351 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -64.3 | -39 | 177.6 | -78.2 | 162.5 | 0 | 0 | 0 | 112.8 | I1406 H1520 Y1521 R1526 I1527 N1528 | I1406-L1524 HydrophobicContact CD1-CD1 3.26Å; I1406-L1524 HydrophobicContact CG1-CD1 4.42Å; H1520-L1524 PolarHBondContact O-N 2.72Å; Y1521-L1524 PolarHBondContact O-N 2.99Å; L1524-R1526 VanDerWaalsContact C-N 3.25Å; L1524-R1526 PolarHBondContact O-N 3.18Å; L1524-I1527 PolarHBondContact O-N 3.08Å; L1524-N1528 PolarHBondContact O-N 2.83Å |
| 1525 | Q | 59.9 | Low | 57.2 | Low | 68 Ų | 68 | 99.3 Ų | 99.3 | 32% | 0.318 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.6 | -38.7 | 171.7 | -78.2 | -163 | -32.9 | 0 | 0 | 111.4 | D1377 Y1521 E1522 N1528 S1529 | D1377-Q1525 PolarHBondContact OD2-NE2 3.39Å; Y1521-Q1525 HydrophobicContact CD1-CG 4.16Å; Y1521-Q1525 HydrophobicContact CE1-CG 3.8Å; Y1521-Q1525 PolarHBondContact O-N 3.03Å; E1522-Q1525 PolarHBondContact O-N 3.22Å; Q1525-N1528 PolarHBondContact O-N 3.17Å; Q1525-S1529 WeakPolarHBondContact O-CB 3.33Å; Q1525-S1529 PolarHBondContact O-N 3.03Å; Q1525-S1529 PolarHBondContact O-OG 3.34Å |
| 1526 | R | 57.5 | Low | 55.8 | Low | 185 Ų | 185 | 98.8 Ų | 98.8 | 70% | 0.698 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63 | -44.8 | 175.5 | -148.4 | 176.6 | -138.3 | -169.5 | 4.9 | 111 | E1522 H1523 L1524 N1528 S1529 L1530 | E1522-R1526 PolarHBondContact O-N 3.25Å; H1523-R1526 WeakPolarHBondContact O-CA 3.49Å; H1523-R1526 VanDerWaalsContact O-CB 3.27Å; H1523-R1526 WeakPolarHBondContact O-CB 3.48Å; H1523-R1526 PolarHBondContact O-N 3.29Å; H1523-R1526 VanDerWaalsContact O-N 3.11Å; L1524-R1526 VanDerWaalsContact C-N 3.25Å; L1524-R1526 PolarHBondContact O-N 3.18Å; R1526-N1528 PolarHBondContact O-N 3.45Å; R1526-S1529 WeakPolarHBondContact CA-OG 3.42Å; R1526-S1529 PolarHBondContact O-N 2.94Å; R1526-S1529 PolarHBondContact O-OG 3.32Å; R1526-L1530 WeakPolarHBondContact O-CD1 3.38Å; R1526-L1530 WeakPolarHBondContact O-CG 3.25Å; R1526-L1530 PolarHBondContact O-N 3.39Å; R1526-L1530 VanDerWaalsContact O-N 3.09Å |
| 1527 | I | 54.2 | Low | 54.1 | Low | 83 Ų | 83 | 97.1 Ų | 97.1 | 43% | 0.426 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59.8 | -45.9 | 173.7 | -65.5 | 173.6 | 0 | 0 | 0 | 111 | H1523 L1524 S1529 L1530 L1531 | H1523-I1527 VanDerWaalsContact CD2-CD1 3.46Å; H1523-I1527 WeakPolarHBondContact CD2-CD1 3.48Å; H1523-I1527 WeakPolarHBondContact NE2-CD1 3.29Å; H1523-I1527 PolarHBondContact O-N 3.1Å; L1524-I1527 PolarHBondContact O-N 3.08Å; I1527-S1529 VanDerWaalsContact C-N 3.31Å; I1527-S1529 PolarHBondContact O-N 3.07Å; I1527-L1530 WeakPolarHBondContact O-CB 3.48Å; I1527-L1530 PolarHBondContact O-N 2.81Å; I1527-L1531 PolarHBondContact O-N 3.11Å |
| 1528 | N | 54.9 | Low | 52.3 | Low | 83 Ų | 83 | 101.1 Ų | 101.1 | 44% | 0.444 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63.1 | -37.8 | 179 | -167.4 | 45.9 | 0 | 0 | 0 | 112 | L1524 Q1525 R1526 L1530 L1531 | L1524-N1528 PolarHBondContact O-N 2.83Å; Q1525-N1528 PolarHBondContact O-N 3.17Å; R1526-N1528 PolarHBondContact O-N 3.45Å; N1528-L1530 PolarHBondContact O-N 3.3Å; N1528-L1531 PolarHBondContact O-N 3.33Å |
| 1529 | S | 49.6 | Very low | 50.5 | Low | 89 Ų | 89 | 105 Ų | 105 | 62% | 0.622 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -68.4 | -21.5 | 174.8 | 74.6 | 0 | 0 | 0 | 0 | 113.8 | Q1525 R1526 I1527 | Q1525-S1529 WeakPolarHBondContact O-CB 3.33Å; Q1525-S1529 PolarHBondContact O-N 3.03Å; Q1525-S1529 PolarHBondContact O-OG 3.34Å; R1526-S1529 WeakPolarHBondContact CA-OG 3.42Å; R1526-S1529 PolarHBondContact O-N 2.94Å; R1526-S1529 PolarHBondContact O-OG 3.32Å; I1527-S1529 VanDerWaalsContact C-N 3.31Å; I1527-S1529 PolarHBondContact O-N 3.07Å |
| 1530 | L | 46.8 | Very low | 48.9 | Very low | 133 Ų | 133 | 111 Ų | 111 | 70% | 0.696 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -88.7 | -7.9 | 178.1 | -69.2 | 165.1 | 0 | 0 | 0 | 112.5 | R1526 I1527 N1528 | R1526-L1530 WeakPolarHBondContact O-CD1 3.38Å; R1526-L1530 WeakPolarHBondContact O-CG 3.25Å; R1526-L1530 PolarHBondContact O-N 3.39Å; R1526-L1530 VanDerWaalsContact O-N 3.09Å; I1527-L1530 WeakPolarHBondContact O-CB 3.48Å; I1527-L1530 PolarHBondContact O-N 2.81Å; N1528-L1530 PolarHBondContact O-N 3.3Å |
| 1531 | L | 48.8 | Very low | 47.2 | Very low | 92 Ų | 92 | 109.9 Ų | 109.9 | 48% | 0.482 | 58% | 0.581 | S | S | . | * | S | Bend | trans | -72.3 | 123.9 | 170.2 | -81.7 | 162.3 | 0 | 0 | 0 | 109.3 | I1399 I1527 N1528 S1533 | I1399-L1531 HydrophobicContact CD1-CD1 4.08Å; I1527-L1531 PolarHBondContact O-N 3.11Å; N1528-L1531 PolarHBondContact O-N 3.33Å; L1531-S1533 PolarHBondContact O-N 3.14Å |
| 1532 | P | 47 | Very low | 45.3 | Very low | 98 Ų | 98 | 112.1 Ų | 112.1 | 64% | 0.636 | 61% | 0.614 | S | S | * | * | P | Polyproline II helix | trans | -61 | 131.5 | -168.3 | -23 | 32 | 0 | 0 | 0 | 113.7 | I1534 | P1532-I1534 PolarHBondContact O-N 3.25Š|
| 1533 | S | 39.5 | Very low | 43.7 | Very low | 86 Ų | 86 | 118.2 Ų | 118.2 | 60% | 0.601 | 64% | 0.639 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 123.9 | 164.3 | 54.9 | 0 | 0 | 0 | 0 | 109.9 | L1531 E1535 S1536 | L1531-S1533 PolarHBondContact O-N 3.14Å; S1533-E1535 PolarHBondContact O-N 3.4Å; S1533-S1536 PolarHBondContact O-N 2.95Å |
| 1534 | I | 39.9 | Very low | 42 | Very low | 113 Ų | 113 | 115.8 Ų | 115.8 | 58% | 0.579 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.2 | -8.1 | -175 | -75.2 | 156.8 | 0 | 0 | 0 | 115 | L1388 L1391 P1532 S1536 | L1388-I1534 HydrophobicContact CD1-CD1 3.61Å; L1388-I1534 HydrophobicContact CD2-CD1 3.5Å; L1388-I1534 HydrophobicContact CG-CD1 4.16Å; L1391-I1534 HydrophobicContact CD1-CD1 4.01Å; P1532-I1534 PolarHBondContact O-N 3.25Å; I1534-S1536 PolarHBondContact O-N 3.22Å; I1534-S1536 VanDerWaalsContact O-N 3.15Å |
| 1535 | E | 41.2 | Very low | 40.6 | Very low | 198 Ų | 198 | 120.1 Ų | 120.1 | 93% | 0.925 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.1 | -16.2 | 177.5 | -72.8 | -171.6 | 165.2 | 0 | 0 | 113.8 | S1533 | S1533-E1535 PolarHBondContact O-N 3.4Š|
| 1536 | S | 38.4 | Very low | 39.2 | Very low | 68 Ų | 68 | 126.2 Ų | 126.2 | 48% | 0.476 | 70% | 0.696 | S | S | . | * | S | Bend | trans | -115.4 | 106.4 | 173 | 46 | 0 | 0 | 0 | 0 | 110.1 | S1533 I1534 C1538 | S1533-S1536 PolarHBondContact O-N 2.95Å; I1534-S1536 PolarHBondContact O-N 3.22Å; I1534-S1536 VanDerWaalsContact O-N 3.15Å; S1536-C1538 PolarHBondContact O-N 3.3Å |
| 1537 | G | 33.4 | Very low | 37.7 | Very low | 72 Ų | 72 | 120.8 Ų | 120.8 | 74% | 0.742 | 70% | 0.698 | S | S | * | * | trans | -63.7 | 39.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | F1539 | G1537-F1539 PolarHBondContact O-N 3.08Š| ||
| 1538 | C | 31.9 | Very low | 36.6 | Very low | 108 Ų | 108 | 125.1 Ų | 125.1 | 73% | 0.73 | 72% | 0.722 | S | S | * | * | trans | -89.2 | 90.9 | 175 | -73.3 | 0 | 0 | 0 | 0 | 110.1 | S1536 | S1536-C1538 PolarHBondContact O-N 3.3Š| ||
| 1539 | F | 30.8 | Very low | 35.4 | Very low | 180 Ų | 180 | 130.3 Ų | 130.3 | 79% | 0.789 | 74% | 0.744 | S | S | * | * | trans | -76.7 | 120.9 | 168.3 | -85.6 | -96.5 | 0 | 0 | 0 | 110.6 | G1537 T1541 | G1537-F1539 PolarHBondContact O-N 3.08Å; F1539-T1541 HydrophobicContact CB-CG2 4.4Å; F1539-T1541 HydrophobicContact CD1-CG2 4.17Å | ||
| 1540 | Y | 30.9 | Very low | 34.5 | Very low | 238 Ų | 238 | 136.7 Ų | 136.7 | 93% | 0.933 | 76% | 0.756 | S | S | * | * | trans | -103.7 | 91.1 | 160.6 | -120.2 | -89.7 | 0 | 0 | 0 | 108.5 | G1542 | Y1540-G1542 PolarHBondContact O-N 2.89Š| ||
| 1541 | T | 31.6 | Very low | 33.8 | Very low | 117 Ų | 117 | 139.2 Ų | 139.2 | 72% | 0.718 | 76% | 0.764 | S | S | * | * | trans | -86.1 | 89.1 | 177.2 | 51.3 | 0 | 0 | 0 | 0 | 110.1 | F1539 K1543 | F1539-T1541 HydrophobicContact CB-CG2 4.4Å; F1539-T1541 HydrophobicContact CD1-CG2 4.17Å; T1541-K1543 PolarHBondContact O-N 3.37Å | ||
| 1542 | G | 28.8 | Very low | 33.1 | Very low | 77 Ų | 77 | 146 Ų | 146 | 79% | 0.794 | 78% | 0.783 | S | S | * | * | trans | -81.4 | 33.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y1540 | Y1540-G1542 PolarHBondContact O-N 2.89Š| ||
| 1543 | K | 30 | Very low | 32.3 | Very low | 210 Ų | 210 | 152.7 Ų | 152.7 | 91% | 0.913 | 80% | 0.796 | S | S | * | * | trans | -112.5 | 81.4 | 176.6 | -86.6 | -168 | 173.9 | -173.3 | 0 | 109.8 | T1541 | T1541-K1543 PolarHBondContact O-N 3.37Š| ||
| 1544 | G | 26.7 | Very low | 32 | Very low | 66 Ų | 66 | 156.4 Ų | 156.4 | 68% | 0.68 | 81% | 0.808 | S | S | * | * | trans | -164.1 | 54.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1545 | I | 30 | Very low | 31.6 | Very low | 159 Ų | 159 | 159 Ų | 159 | 82% | 0.815 | 84% | 0.836 | S | S | * | * | trans | -166.4 | 137.6 | 159.8 | -84.5 | 134 | 0 | 0 | 0 | 105.3 | ||||
| 1546 | E | 30.5 | Very low | 31.2 | Very low | 195 Ų | 195 | 157 Ų | 157 | 91% | 0.911 | 83% | 0.832 | S | S | * | * | S | Bend | trans | 80.9 | 104.4 | -170.7 | -57.4 | 174 | -168.4 | 0 | 0 | 113 | ||
| 1547 | G | 26.9 | Very low | 30.8 | Very low | 72 Ų | 72 | 161.7 Ų | 161.7 | 74% | 0.742 | 85% | 0.851 | S | S | * | * | cis | 142.1 | 61.4 | 17.3 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 1548 | D | 30.4 | Very low | 30.6 | Very low | 174 Ų | 174 | 166.7 Ų | 166.7 | 93% | 0.93 | 86% | 0.857 | S | S | * | * | trans | -119.5 | 74.5 | 178.9 | -103.4 | -11.3 | 0 | 0 | 0 | 109.6 | ||||
| 1549 | E | 29.9 | Very low | 30.6 | Very low | 192 Ų | 192 | 170.1 Ų | 170.1 | 90% | 0.897 | 86% | 0.864 | S | S | * | * | trans | -117.4 | 23.9 | 171.4 | -141 | -176.1 | -160.8 | 0 | 0 | 112.9 | ||||
| 1550 | Y | 30.2 | Very low | 30.6 | Very low | 223 Ų | 223 | 169.5 Ų | 169.5 | 88% | 0.875 | 87% | 0.869 | S | S | * | * | S | Bend | trans | -120 | 4.7 | -175.5 | -122.9 | -89.9 | 0 | 0 | 0 | 119.5 | ||
| 1551 | E | 34.1 | Very low | 30.5 | Very low | 185 Ų | 185 | 164.9 Ų | 164.9 | 86% | 0.864 | 87% | 0.865 | S | S | * | * | S | Bend | trans | -123.1 | 5.7 | 177.6 | -74.6 | -159.2 | 159 | 0 | 0 | 118.3 | R1553 | E1551-R1553 PolarHBondContact O-N 3.49Š|
| 1552 | R | 32.6 | Very low | 30.4 | Very low | 234 Ų | 234 | 168.4 Ų | 168.4 | 88% | 0.883 | 88% | 0.875 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.7 | 40.5 | 170.6 | -80.1 | -167.9 | -172.9 | 170.8 | 4.9 | 115.3 | ||
| 1553 | R | 31.7 | Very low | 30.6 | Very low | 240 Ų | 240 | 175.4 Ų | 175.4 | 91% | 0.906 | 88% | 0.881 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.7 | 7.3 | 163.2 | -112.1 | -176.1 | -173.6 | -178.8 | 3.6 | 115.8 | E1551 | E1551-R1553 PolarHBondContact O-N 3.49Š|
| 1554 | N | 32.4 | Very low | 30.6 | Very low | 163 Ų | 163 | 172.5 Ų | 172.5 | 87% | 0.872 | 88% | 0.879 | S | S | * | * | trans | -125.3 | 53.2 | 170.5 | -77.2 | -23.7 | 0 | 0 | 0 | 112.6 | ||||
| 1555 | S | 32.2 | Very low | 31 | Very low | 167 Ų | 167 | 182.2 Ų | 182.2 | 100% | 1.168 | 90% | 0.897 | S | S | * | * | trans | -173 | 0 | 152.4 | 65 | 0 | 0 | 0 | 0 | 108 |
Retrieved 1,555 of 1,555 residues in 1859.2 ms
(Link to these results)