| 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 | 44.3 | Very low | 63.8 | Low | 189 Ų | 189 | 131.3 Ų | 131.3 | 93% | 0.931 | 62% | 0.623 | S | S | * | * | 0 | -60.7 | 0 | -152.3 | 170.1 | 172.8 | 0 | 0 | 112.8 | M3 L4 I5 | M1-M3 PolarHBondContact O-N 3.38Å; M1-L4 WeakPolarHBondContact O-CA 3.49Å; M1-L4 VanDerWaalsContact O-CB 3.24Å; M1-L4 WeakPolarHBondContact O-CB 3.42Å; M1-L4 PolarHBondContact O-N 2.96Å; M1-I5 HydrophobicContact CG-CD1 4.46Å; M1-I5 PolarHBondContact O-N 3.03Å; M1-I5 VanDerWaalsContact O-N 3.13Å | |||
| 2 | F | 46.7 | Very low | 63.6 | Low | 174 Ų | 174 | 132.8 Ų | 132.8 | 76% | 0.763 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -50.1 | -45.4 | -179.7 | -92.9 | -87.1 | 0 | 0 | 0 | 115.4 | L4 I5 Y6 | F2-L4 PolarHBondContact O-N 3.29Å; F2-I5 PolarHBondContact O-N 3.47Å; F2-I5 VanDerWaalsContact O-N 3.08Å; F2-Y6 PolarHBondContact O-N 3.01Å |
| 3 | M | 56.1 | Low | 63.3 | Low | 147 Ų | 147 | 135 Ų | 135 | 72% | 0.724 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -56.7 | -35.8 | 174.2 | -107.4 | -68.6 | -176 | 0 | 0 | 113.4 | M1 Y6 L7 | M1-M3 PolarHBondContact O-N 3.38Å; M3-Y6 PolarHBondContact O-N 3.01Å; M3-L7 WeakPolarHBondContact O-CB 3.19Å; M3-L7 WeakPolarHBondContact O-CG 3.47Å; M3-L7 PolarHBondContact O-N 3.39Å |
| 4 | L | 59.5 | Low | 62.5 | Low | 109 Ų | 109 | 131.2 Ų | 131.2 | 57% | 0.571 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -71.4 | -36.1 | 176.9 | -113.6 | 158.8 | 0 | 0 | 0 | 111.5 | M1 F2 M8 | M1-L4 WeakPolarHBondContact O-CA 3.49Å; M1-L4 VanDerWaalsContact O-CB 3.24Å; M1-L4 WeakPolarHBondContact O-CB 3.42Å; M1-L4 PolarHBondContact O-N 2.96Å; F2-L4 PolarHBondContact O-N 3.29Å; L4-M8 HydrophobicContact CD2-CE 4.37Å; L4-M8 VanDerWaalsContact O-CB 3.23Å; L4-M8 WeakPolarHBondContact O-CB 3.43Å; L4-M8 WeakPolarHBondContact O-CG 3.44Å; L4-M8 PolarHBondContact O-N 3.02Å |
| 5 | I | 68.7 | Low | 61.6 | Low | 98 Ų | 98 | 129.1 Ų | 129.1 | 50% | 0.503 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -67.9 | -40 | 172.9 | -62 | 169.5 | 0 | 0 | 0 | 110.4 | M1 F2 G9 | M1-I5 HydrophobicContact CG-CD1 4.46Å; M1-I5 PolarHBondContact O-N 3.03Å; M1-I5 VanDerWaalsContact O-N 3.13Å; F2-I5 PolarHBondContact O-N 3.47Å; F2-I5 VanDerWaalsContact O-N 3.08Å; I5-G9 PolarHBondContact O-N 3.37Å |
| 6 | Y | 72.3 | Confident | 60.6 | Low | 188 Ų | 188 | 126.3 Ų | 126.3 | 74% | 0.737 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -67.1 | -43.7 | 176.4 | -124.6 | -90.7 | 0 | 0 | 0 | 112.1 | F2 M3 G9 W10 | F2-Y6 PolarHBondContact O-N 3.01Å; M3-Y6 PolarHBondContact O-N 3.01Å; Y6-G9 PolarHBondContact O-N 2.92Å; Y6-W10 WeakPolarHBondContact O-CB 3.38Å; Y6-W10 PolarHBondContact O-N 3.36Å |
| 7 | L | 74 | Confident | 59.5 | Low | 94 Ų | 94 | 122.5 Ų | 122.5 | 49% | 0.492 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -65.4 | -41.8 | 174.2 | -78.9 | 166.8 | 0 | 0 | 0 | 112 | M3 W10 F11 | M3-L7 WeakPolarHBondContact O-CB 3.19Å; M3-L7 WeakPolarHBondContact O-CG 3.47Å; M3-L7 PolarHBondContact O-N 3.39Å; L7-W10 PolarHBondContact O-N 3.12Å; L7-F11 WeakPolarHBondContact O-CB 3.34Å; L7-F11 PolarHBondContact O-N 2.99Å |
| 8 | M | 68.4 | Low | 58.3 | Low | 120 Ų | 120 | 120.4 Ų | 120.4 | 59% | 0.591 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -63.5 | -40.6 | 173.4 | -76.2 | -69.6 | 173.9 | 0 | 0 | 111.6 | L4 W10 F11 F12 | L4-M8 HydrophobicContact CD2-CE 4.37Å; L4-M8 VanDerWaalsContact O-CB 3.23Å; L4-M8 WeakPolarHBondContact O-CB 3.43Å; L4-M8 WeakPolarHBondContact O-CG 3.44Å; L4-M8 PolarHBondContact O-N 3.02Å; M8-W10 VanDerWaalsContact C-N 3.35Å; M8-F11 PolarHBondContact O-N 3Å; M8-F12 WeakPolarHBondContact O-CB 3.44Å; M8-F12 PolarHBondContact O-N 2.83Å |
| 9 | G | 68.7 | Low | 56.8 | Low | 36 Ų | 36 | 119.7 Ų | 119.7 | 37% | 0.371 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -66.3 | -33.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | I5 Y6 K13 | I5-G9 PolarHBondContact O-N 3.37Å; Y6-G9 PolarHBondContact O-N 2.92Å; G9-K13 WeakPolarHBondContact O-CG 3.35Å; G9-K13 PolarHBondContact O-N 3.49Å |
| 10 | W | 75.7 | Confident | 55.3 | Low | 165 Ų | 165 | 117 Ų | 117 | 63% | 0.625 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -72.4 | -43.8 | 173.5 | -156.8 | 74.8 | 0 | 0 | 0 | 111.4 | Y6 L7 M8 F12 K13 L14 | Y6-W10 WeakPolarHBondContact O-CB 3.38Å; Y6-W10 PolarHBondContact O-N 3.36Å; L7-W10 PolarHBondContact O-N 3.12Å; M8-W10 VanDerWaalsContact C-N 3.35Å; W10-F12 VanDerWaalsContact C-N 3.33Å; W10-F12 PolarHBondContact O-N 2.54Å; W10-K13 PolarHBondContact O-N 2.92Å; W10-L14 HydrophobicContact CD2-CD1 4.3Å; W10-L14 HydrophobicContact CE3-CD1 3.73Å; W10-L14 HydrophobicContact CH2-CD1 3.55Å; W10-L14 HydrophobicContact CZ2-CD1 4.13Å; W10-L14 HydrophobicContact CZ3-CD1 3.33Å; W10-L14 WeakPolarHBondContact O-CB 3.36Å; W10-L14 PolarHBondContact O-N 3.47Å |
| 11 | F | 66.9 | Low | 53.9 | Low | 124 Ų | 124 | 118.6 Ų | 118.6 | 54% | 0.544 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -62.2 | -36.3 | 171.5 | -106.3 | -86.9 | 0 | 0 | 0 | 112.6 | L7 M8 L14 L15 | L7-F11 WeakPolarHBondContact O-CB 3.34Å; L7-F11 PolarHBondContact O-N 2.99Å; M8-F11 PolarHBondContact O-N 3Å; F11-L14 PolarHBondContact O-N 2.98Å; F11-L15 VanDerWaalsContact O-CB 3.3Å; F11-L15 WeakPolarHBondContact O-CB 2.97Å; F11-L15 WeakPolarHBondContact O-CG 3.44Å; F11-L15 PolarHBondContact O-N 3.13Å |
| 12 | F | 62.1 | Low | 53.5 | Low | 150 Ų | 150 | 115.3 Ų | 115.3 | 66% | 0.658 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -65.8 | -42.9 | 173.5 | -125.8 | -91.4 | 0 | 0 | 0 | 111 | M8 W10 L14 V16 | M8-F12 WeakPolarHBondContact O-CB 3.44Å; M8-F12 PolarHBondContact O-N 2.83Å; W10-F12 VanDerWaalsContact C-N 3.33Å; W10-F12 PolarHBondContact O-N 2.54Å; F12-L14 VanDerWaalsContact C-N 3.3Å; F12-L14 PolarHBondContact O-N 2.84Å; F12-V16 HydrophobicContact CD1-CG2 4.23Å; F12-V16 VanDerWaalsContact O-CB 3.26Å; F12-V16 WeakPolarHBondContact O-CB 3.35Å; F12-V16 WeakPolarHBondContact O-CG2 3.24Å; F12-V16 PolarHBondContact O-N 2.72Å |
| 13 | K | 58.9 | Low | 53.7 | Low | 161 Ų | 161 | 112.8 Ų | 112.8 | 70% | 0.7 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -62.4 | -36.2 | 172.4 | -77.9 | -175.6 | 175 | -174.6 | 0 | 112.5 | G9 W10 A17 | G9-K13 WeakPolarHBondContact O-CG 3.35Å; G9-K13 PolarHBondContact O-N 3.49Å; W10-K13 PolarHBondContact O-N 2.92Å; K13-A17 WeakPolarHBondContact O-CB 3.49Å; K13-A17 PolarHBondContact O-N 2.78Å |
| 14 | L | 53.2 | Low | 53.8 | Low | 82 Ų | 82 | 109.9 Ų | 109.9 | 43% | 0.429 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -76.6 | -37.6 | 179.5 | -125.7 | 157.6 | 0 | 0 | 0 | 112.7 | W10 F11 F12 A17 S18 | W10-L14 HydrophobicContact CD2-CD1 4.3Å; W10-L14 HydrophobicContact CE3-CD1 3.73Å; W10-L14 HydrophobicContact CH2-CD1 3.55Å; W10-L14 HydrophobicContact CZ2-CD1 4.13Å; W10-L14 HydrophobicContact CZ3-CD1 3.33Å; W10-L14 WeakPolarHBondContact O-CB 3.36Å; W10-L14 PolarHBondContact O-N 3.47Å; F11-L14 PolarHBondContact O-N 2.98Å; F12-L14 VanDerWaalsContact C-N 3.3Å; F12-L14 PolarHBondContact O-N 2.84Å; L14-A17 PolarHBondContact O-N 2.92Å; L14-S18 VanDerWaalsContact O-CB 3.32Å; L14-S18 WeakPolarHBondContact O-CB 3.25Å; L14-S18 PolarHBondContact O-N 3.38Å; L14-S18 PolarHBondContact O-OG 2.83Å |
| 15 | L | 47.7 | Very low | 54.4 | Low | 100 Ų | 100 | 106.8 Ų | 106.8 | 52% | 0.524 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -63.6 | -51 | 170.9 | -84.1 | 159.7 | 0 | 0 | 0 | 110.5 | F11 A17 S18 T19 | F11-L15 VanDerWaalsContact O-CB 3.3Å; F11-L15 WeakPolarHBondContact O-CB 2.97Å; F11-L15 WeakPolarHBondContact O-CG 3.44Å; F11-L15 PolarHBondContact O-N 3.13Å; L15-A17 VanDerWaalsContact C-N 3.3Å; L15-A17 PolarHBondContact O-N 3.33Å; L15-S18 WeakPolarHBondContact CA-OG 3.39Å; L15-S18 PolarHBondContact O-N 2.62Å; L15-S18 PolarHBondContact O-OG 3.28Å; L15-T19 PolarHBondContact O-N 3.08Å; L15-T19 PolarHBondContact O-OG1 3.38Å |
| 16 | V | 46.4 | Very low | 54.9 | Low | 83 Ų | 83 | 106.4 Ų | 106.4 | 50% | 0.503 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -58.4 | -40.9 | 175.5 | 170.4 | 0 | 0 | 0 | 0 | 111.4 | F12 T19 A20 | F12-V16 HydrophobicContact CD1-CG2 4.23Å; F12-V16 VanDerWaalsContact O-CB 3.26Å; F12-V16 WeakPolarHBondContact O-CB 3.35Å; F12-V16 WeakPolarHBondContact O-CG2 3.24Å; F12-V16 PolarHBondContact O-N 2.72Å; V16-T19 WeakPolarHBondContact CA-OG1 3.39Å; V16-T19 PolarHBondContact O-N 3.04Å; V16-T19 PolarHBondContact O-OG1 3.37Å; V16-A20 WeakPolarHBondContact O-CB 3.2Å; V16-A20 PolarHBondContact O-N 3.02Å; V16-A20 VanDerWaalsContact O-N 3.15Å |
| 17 | A | 42.2 | Very low | 55.1 | Low | 62 Ų | 62 | 99.4 Ų | 99.4 | 51% | 0.512 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -66.3 | -38.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | K13 L14 L15 T19 A20 | K13-A17 WeakPolarHBondContact O-CB 3.49Å; K13-A17 PolarHBondContact O-N 2.78Å; L14-A17 PolarHBondContact O-N 2.92Å; L15-A17 VanDerWaalsContact C-N 3.3Å; L15-A17 PolarHBondContact O-N 3.33Å; A17-T19 VanDerWaalsContact C-N 3.3Å; A17-T19 PolarHBondContact O-N 2.98Å; A17-A20 PolarHBondContact O-N 3.05Å; A17-A20 VanDerWaalsContact O-N 3.09Å |
| 18 | S | 37.2 | Very low | 55.2 | Low | 86 Ų | 86 | 96 Ų | 96 | 60% | 0.601 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -70.5 | -24.3 | 177.4 | 72.2 | 0 | 0 | 0 | 0 | 113.6 | L14 L15 | L14-S18 VanDerWaalsContact O-CB 3.32Å; L14-S18 WeakPolarHBondContact O-CB 3.25Å; L14-S18 PolarHBondContact O-N 3.38Å; L14-S18 PolarHBondContact O-OG 2.83Å; L15-S18 WeakPolarHBondContact CA-OG 3.39Å; L15-S18 PolarHBondContact O-N 2.62Å; L15-S18 PolarHBondContact O-OG 3.28Å |
| 19 | T | 29.7 | Very low | 55.4 | Low | 106 Ų | 106 | 94 Ų | 94 | 65% | 0.65 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | -9.8 | 168.9 | 51.5 | 0 | 0 | 0 | 0 | 113.6 | L15 V16 A17 N21 | L15-T19 PolarHBondContact O-N 3.08Å; L15-T19 PolarHBondContact O-OG1 3.38Å; V16-T19 WeakPolarHBondContact CA-OG1 3.39Å; V16-T19 PolarHBondContact O-N 3.04Å; V16-T19 PolarHBondContact O-OG1 3.37Å; A17-T19 VanDerWaalsContact C-N 3.3Å; A17-T19 PolarHBondContact O-N 2.98Å; T19-N21 PolarHBondContact O-N 3.38Å |
| 20 | A | 27.6 | Very low | 55.3 | Low | 66 Ų | 66 | 92.6 Ų | 92.6 | 55% | 0.545 | 50% | 0.497 | S | S | . | . | trans | -101.3 | 59.1 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | V16 A17 | V16-A20 WeakPolarHBondContact O-CB 3.2Å; V16-A20 PolarHBondContact O-N 3.02Å; V16-A20 VanDerWaalsContact O-N 3.15Å; A17-A20 PolarHBondContact O-N 3.05Å; A17-A20 VanDerWaalsContact O-N 3.09Å | ||
| 21 | N | 26.3 | Very low | 54.6 | Low | 151 Ų | 151 | 92.6 Ų | 92.6 | 81% | 0.807 | 50% | 0.504 | S | S | * | . | trans | -136.4 | 33 | 168.7 | -147.9 | 30.5 | 0 | 0 | 0 | 113.9 | T19 | T19-N21 PolarHBondContact O-N 3.38Š| ||
| 22 | T | 34.1 | Very low | 54.6 | Low | 120 Ų | 120 | 86.9 Ų | 86.9 | 74% | 0.736 | 48% | 0.479 | S | S | * | . | S | Bend | trans | -72.3 | 115.5 | 157.4 | 51 | 0 | 0 | 0 | 0 | 108.4 | S24 | T22-S24 PolarHBondContact O-N 2.98Š|
| 23 | E | 51 | Low | 54.6 | Low | 120 Ų | 120 | 85 Ų | 85 | 56% | 0.561 | 48% | 0.476 | S | S | * | . | trans | -55.3 | 108.5 | 176.1 | -70.2 | -164.9 | 150.7 | 0 | 0 | 109.9 | V25 Q85 R107 | E23-V25 PolarHBondContact O-N 3.34Å; E23-Q85 PolarHBondContact OE2-NE2 3.24Å; E23-R107 IonicContact OE2-NH2 2.71Å | ||
| 24 | S | 58.6 | Low | 54.7 | Low | 86 Ų | 86 | 80.7 Ų | 80.7 | 60% | 0.601 | 47% | 0.466 | S | S | * | . | trans | -74.5 | 101.9 | -176.3 | 63.2 | 0 | 0 | 0 | 0 | 109.9 | T22 K26 | T22-S24 PolarHBondContact O-N 2.98Å; S24-K26 PolarHBondContact O-N 2.83Å | ||
| 25 | V | 72.3 | Confident | 55 | Low | 45 Ų | 45 | 79.1 Ų | 79.1 | 27% | 0.273 | 46% | 0.457 | S | S | . | . | trans | -56.6 | 107.2 | 175 | 173.2 | 0 | 0 | 0 | 0 | 109.7 | E23 V27 Y295 L328 | E23-V25 PolarHBondContact O-N 3.34Å; V25-V27 HydrophobicContact CG1-CG2 4.04Å; V25-Y295 HydrophobicContact CG2-CD1 4.35Å; V25-Y295 HydrophobicContact CG2-CE1 3.71Å; V25-L328 HydrophobicContact CG1-CD1 4.05Å; V25-L328 HydrophobicContact CG1-CD2 4.24Å | ||
| 26 | K | 79.9 | Confident | 55 | Low | 89 Ų | 89 | 77.9 Ų | 77.9 | 39% | 0.387 | 47% | 0.469 | S | S | . | . | trans | -98.9 | 120 | 173.2 | -77.3 | -177.8 | 161.1 | -166.4 | 0 | 109.8 | S24 Q53 N54 T56 H57 | S24-K26 PolarHBondContact O-N 2.83Å; K26-Q53 WeakPolarHBondContact CD-O 3.32Å; K26-Q53 PolarHBondContact NZ-O 2.88Å; K26-N54 WeakPolarHBondContact CB-O 3.42Å; K26-N54 HydrophobicContact CD-CB 4.21Å; K26-N54 WeakPolarHBondContact CD-O 3.44Å; K26-T56 HydrophobicContact CB-CG2 4.29Å; K26-T56 PolarHBondContact N-OG1 3.04Å; K26-T56 WeakPolarHBondContact O-CA 3.05Å; K26-T56 PolarHBondContact O-N 3.38Å; K26-T56 PolarHBondContact O-OG1 2.03Å; K26-H57 PolarHBondContact O-N 3.17Å | ||
| 27 | V | 76.2 | Confident | 54.9 | Low | 42 Ų | 42 | 76 Ų | 76 | 26% | 0.255 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 137.3 | -176.8 | -169 | 0 | 0 | 0 | 0 | 109.7 | V25 F29 H57 M59 L328 | V25-V27 HydrophobicContact CG1-CG2 4.04Å; V27-F29 HydrophobicContact CG1-CE2 3.79Å; V27-F29 HydrophobicContact CG1-CZ 3.82Å; V27-H57 WeakPolarHBondContact CA-O 3.46Å; V27-H57 HydrophobicContact CG2-CB 4.46Å; V27-M59 HydrophobicContact CG1-CB 4.23Å; V27-M59 HydrophobicContact CG1-CG 3.38Å; V27-L328 HydrophobicContact CG2-CD1 3.4Å; V27-L328 VanDerWaalsContact CG2-CD1 3.4Å |
| 28 | C | 76.8 | Confident | 55.6 | Low | 23 Ų | 23 | 75.2 Ų | 75.2 | 16% | 0.155 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 145.1 | 173.9 | -30.2 | 0 | 0 | 0 | 0 | 110.1 | C55 H57 M59 | C28-C55 HydrophobicContact CB-CB 4.27Å; C28-C55 WeakPolarHBondContact CB-SG 3.42Å; C28-C55 WeakPolarHBondContact SG-CA 3.42Å; C28-C55 WeakPolarHBondContact SG-CB 3.41Å; C28-C55 CovalentContact SG-SG 2.03Å; C28-C55 PolarHBondContact SG-SG 3.42Å; C28-H57 PolarHBondContact N-O 2.9Å; C28-M59 PolarHBondContact O-N 2.92Å |
| 29 | F | 71.5 | Confident | 56.2 | Low | 76 Ų | 76 | 73 Ų | 73 | 33% | 0.333 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 133.6 | -176.3 | -68.4 | -88.5 | 0 | 0 | 0 | 110.6 | V27 M59 L325 F337 | V27-F29 HydrophobicContact CG1-CE2 3.79Å; V27-F29 HydrophobicContact CG1-CZ 3.82Å; F29-M59 WeakPolarHBondContact CA-O 3.37Å; F29-M59 HydrophobicContact CD1-CB 3.39Å; F29-M59 HydrophobicContact CD1-CG 4.35Å; F29-M59 HydrophobicContact CE1-CB 3.2Å; F29-M59 HydrophobicContact CE1-CG 3.69Å; F29-M59 HydrophobicContact CG-CB 4.18Å; F29-M59 HydrophobicContact CZ-CB 3.84Å; F29-M59 HydrophobicContact CZ-CG 3.89Å; F29-L325 HydrophobicContact CE1-CD1 4.41Å; F29-L325 HydrophobicContact CZ-CD1 4.09Å; F29-L325 HydrophobicContact CZ-CD2 3.93Å; F29-L325 HydrophobicContact CZ-CG 4.25Å; F29-F337 AromaticContact CD1-CZ 3.83Å; F29-F337 HydrophobicContact CD1-CZ 3.83Å; F29-F337 HydrophobicContact CD2-CE2 4Å; F29-F337 AromaticContact CD2-CZ 3.91Å; F29-F337 HydrophobicContact CD2-CZ 3.91Å; F29-F337 HydrophobicContact CE1-CE1 4.02Å; F29-F337 HydrophobicContact CE1-CE2 4.35Å; F29-F337 AromaticContact CE1-CZ 3.42Å; F29-F337 HydrophobicContact CE1-CZ 3.42Å; F29-F337 VanDerWaalsContact CE1-CZ 3.42Å; F29-F337 AromaticContact CE2-CE2 3.62Å; F29-F337 HydrophobicContact CE2-CE2 3.62Å; F29-F337 AromaticContact CE2-CZ 3.53Å; F29-F337 HydrophobicContact CE2-CZ 3.53Å; F29-F337 HydrophobicContact CG-CZ 4.08Å; F29-F337 HydrophobicContact CZ-CE1 4.03Å; F29-F337 AromaticContact CZ-CE2 3.84Å; F29-F337 HydrophobicContact CZ-CE2 3.84Å; F29-F337 AromaticContact CZ-CZ 3.28Å; F29-F337 HydrophobicContact CZ-CZ 3.28Å |
| 30 | T | 67.9 | Low | 57.3 | Low | 7 Ų | 7 | 73.4 Ų | 73.4 | 4% | 0.043 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 105.3 | -172.1 | 55.8 | 0 | 0 | 0 | 0 | 111.8 | M32 I50 I58 M59 G60 N61 | T30-M32 PolarHBondContact O-N 2.98Å; T30-I50 HydrophobicContact CG2-CG2 4.06Å; T30-I58 HydrophobicContact CG2-CG2 3.91Å; T30-I58 WeakPolarHBondContact OG1-CG2 3.39Å; T30-M59 PolarHBondContact N-O 3.36Å; T30-G60 WeakPolarHBondContact OG1-CA 3.37Å; T30-N61 VanDerWaalsContact CB-O 3.24Å; T30-N61 WeakPolarHBondContact CB-O 3.33Å; T30-N61 PolarHBondContact OG1-N 3.03Å; T30-N61 VanDerWaalsContact OG1-N 3.15Å; T30-N61 PolarHBondContact OG1-O 3.32Å |
| 31 | H | 59.8 | Low | 58.8 | Low | 166 Ų | 166 | 78.3 Ų | 78.3 | 77% | 0.769 | 44% | 0.438 | S | S | * | . | trans | -76.8 | 32.4 | 178.3 | -60.7 | -78.9 | 0 | 0 | 0 | 113.4 | N33 | H31-N33 VanDerWaalsContact C-N 3.28Å; H31-N33 PolarHBondContact O-N 2.92Å | ||
| 32 | M | 67.5 | Low | 60.5 | Low | 4 Ų | 4 | 73 Ų | 73 | 2% | 0.02 | 42% | 0.419 | C | S | . | . | trans | -80 | 68.9 | -172.1 | -55.9 | -170.1 | 166.6 | 0 | 0 | 111.5 | T30 Y38 I50 N61 L62 I63 Y90 | T30-M32 PolarHBondContact O-N 2.98Å; M32-Y38 WeakPolarHBondContact CA-OH 3.29Å; M32-Y38 WeakPolarHBondContact CB-OH 3.14Å; M32-Y38 VanDerWaalsContact CG-OH 3.22Å; M32-Y38 WeakPolarHBondContact CG-OH 3.49Å; M32-I50 HydrophobicContact CE-CD1 3.77Å; M32-I50 HydrophobicContact CE-CG2 4.41Å; M32-N61 HydrophobicContact CB-CB 4.31Å; M32-N61 WeakPolarHBondContact O-CB 3.43Å; M32-N61 PolarHBondContact O-ND2 3.47Å; M32-L62 HydrophobicContact SD-CD1 4.49Å; M32-I63 HydrophobicContact CB-CB 4.39Å; M32-I63 HydrophobicContact CB-CD1 4Å; M32-I63 HydrophobicContact CB-CG1 3.92Å; M32-I63 WeakPolarHBondContact O-CD1 3.36Å; M32-I63 HydrophobicContact SD-CB 4.18Å; M32-I63 PolarHBondContact SD-N 2.83Å; M32-Y90 PolarHBondContact O-OH 3.36Å | ||
| 33 | N | 62.6 | Low | 62.2 | Low | 111 Ų | 111 | 67.4 Ų | 67.4 | 59% | 0.594 | 39% | 0.385 | S | S | * | . | trans | -95.4 | -12.1 | -167.7 | -67.5 | -2 | 0 | 0 | 0 | 115.2 | H31 N61 Y90 | H31-N33 VanDerWaalsContact C-N 3.28Å; H31-N33 PolarHBondContact O-N 2.92Å; N33-N61 PolarHBondContact OD1-ND2 2.98Å; N33-Y90 PolarHBondContact O-OH 3.08Å | ||
| 34 | S | 60.1 | Low | 63.7 | Low | 70 Ų | 70 | 63.7 Ų | 63.7 | 49% | 0.49 | 37% | 0.366 | S | S | . | . | trans | -147 | 147.8 | 178.8 | 178.7 | 0 | 0 | 0 | 0 | 110.9 | G36 Y38 | S34-G36 PolarHBondContact OG-N 3.27Å; S34-Y38 WeakPolarHBondContact O-CE2 3.22Å | ||
| 35 | I | 60.2 | Low | 64.6 | Low | 48 Ų | 48 | 64.7 Ų | 64.7 | 25% | 0.246 | 36% | 0.361 | C | S | . | . | G | 310 helix | trans | -72.5 | -39.4 | 179.1 | -62.3 | 162.7 | 0 | 0 | 0 | 110.9 | G37 I92 M94 Y116 | I35-G37 PolarHBondContact O-N 3.25Å; I35-I92 HydrophobicContact CD1-CD1 4.24Å; I35-I92 HydrophobicContact CG1-CD1 4.14Å; I35-M94 HydrophobicContact CD1-CE 3.79Å; I35-M94 HydrophobicContact CG1-CE 4.32Å; I35-M94 HydrophobicContact CG2-CE 4.1Å; I35-M94 HydrophobicContact CG2-SD 3.51Å; I35-M94 VanDerWaalsContact CG2-SD 3.51Å; I35-Y116 HydrophobicContact CD1-CE1 4.08Å; I35-Y116 HydrophobicContact CD1-CE2 4.37Å; I35-Y116 WeakPolarHBondContact CD1-OH 3.32Å; I35-Y116 HydrophobicContact CG1-CE2 4.5Å |
| 36 | G | 47.7 | Very low | 64.5 | Low | 75 Ų | 75 | 63 Ų | 63 | 77% | 0.773 | 35% | 0.35 | S | S | * | . | G | 310 helix | trans | -73.2 | 8.6 | -170.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | S34 | S34-G36 PolarHBondContact OG-N 3.27Š|
| 37 | G | 43.6 | Very low | 64.5 | Low | 42 Ų | 42 | 59 Ų | 59 | 43% | 0.433 | 33% | 0.333 | S | S | . | . | G | 310 helix | trans | -103.6 | -3.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | I35 | I35-G37 PolarHBondContact O-N 3.25Š|
| 38 | Y | 56.6 | Low | 64.8 | Low | 46 Ų | 46 | 58.8 Ų | 58.8 | 18% | 0.18 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -94.8 | 134.4 | -176.1 | -68.3 | -80 | 0 | 0 | 0 | 112.1 | M32 S34 I63 T65 | M32-Y38 WeakPolarHBondContact CA-OH 3.29Å; M32-Y38 WeakPolarHBondContact CB-OH 3.14Å; M32-Y38 VanDerWaalsContact CG-OH 3.22Å; M32-Y38 WeakPolarHBondContact CG-OH 3.49Å; S34-Y38 WeakPolarHBondContact O-CE2 3.22Å; Y38-I63 HydrophobicContact CD2-CG2 4.49Å; Y38-I63 HydrophobicContact CE2-CB 4.46Å; Y38-I63 HydrophobicContact CE2-CD1 4.19Å; Y38-I63 HydrophobicContact CE2-CG2 4.4Å; Y38-T65 HydrophobicContact CD2-CG2 4.26Å; Y38-T65 HydrophobicContact CG-CG2 3.93Å |
| 39 | P | 50.2 | Low | 64.6 | Low | 40 Ų | 40 | 62.9 Ų | 62.9 | 26% | 0.26 | 35% | 0.349 | S | S | . | . | trans | -67.3 | 139.4 | 169.8 | 31.5 | -34.8 | 0 | 0 | 0 | 109.6 | E41 S43 | P39-E41 WeakPolarHBondContact CB-O 3.15Å; P39-E41 WeakPolarHBondContact CG-O 3.11Å; P39-E41 PolarHBondContact O-N 3.25Å; P39-S43 PolarHBondContact O-OG 3.21Å | ||
| 40 | K | 52.8 | Low | 64.4 | Low | 115 Ų | 115 | 61.3 Ų | 61.3 | 50% | 0.5 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -67.7 | -16.1 | 175.2 | -69.6 | -167.4 | 176.6 | -171.9 | 0 | 112.9 | ||
| 41 | E | 58.3 | Low | 64.8 | Low | 169 Ų | 169 | 61 Ų | 61 | 79% | 0.79 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -117.1 | 149.8 | 173.4 | -62 | -175.1 | 157.6 | 0 | 0 | 109.9 | P39 S43 | P39-E41 WeakPolarHBondContact CB-O 3.15Å; P39-E41 WeakPolarHBondContact CG-O 3.11Å; P39-E41 PolarHBondContact O-N 3.25Å; E41-S43 PolarHBondContact O-N 2.89Å |
| 42 | G | 62.4 | Low | 65.3 | Low | 38 Ų | 38 | 57 Ų | 57 | 39% | 0.392 | 33% | 0.325 | S | S | . | . | S | Bend | trans | 73.9 | 7.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | E45 M46 | G42-E45 WeakPolarHBondContact CA-OE2 3.44Å; G42-E45 PolarHBondContact O-N 3.23Å; G42-M46 PolarHBondContact O-N 2.83Å; G42-M46 VanDerWaalsContact O-N 3.09Å |
| 43 | S | 71.1 | Confident | 65.3 | Low | 4 Ų | 4 | 64.1 Ų | 64.1 | 3% | 0.028 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -64.9 | -40.9 | -176 | -28.1 | 0 | 0 | 0 | 0 | 111.7 | P39 E41 M46 I47 T65 | P39-S43 PolarHBondContact O-OG 3.21Å; E41-S43 PolarHBondContact O-N 2.89Å; S43-M46 PolarHBondContact O-N 3.46Å; S43-I47 VanDerWaalsContact O-CG1 3.32Å; S43-I47 WeakPolarHBondContact O-CG1 3.46Å; S43-I47 PolarHBondContact O-N 3.49Å; S43-T65 WeakPolarHBondContact CB-O 3.32Å |
| 44 | Y | 82.6 | Confident | 66 | Low | 42 Ų | 42 | 63.3 Ų | 63.3 | 17% | 0.165 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -63.1 | -45.6 | 174 | 161.6 | -109.3 | 0 | 0 | 0 | 112.1 | M46 I47 K48 L67 P76 D77 L78 F80 | Y44-M46 PolarHBondContact O-N 3.43Å; Y44-I47 PolarHBondContact O-N 3.29Å; Y44-K48 HydrophobicContact CE2-CB 4.29Å; Y44-K48 HydrophobicContact CE2-CD 4.12Å; Y44-K48 VanDerWaalsContact O-CB 3.29Å; Y44-K48 WeakPolarHBondContact O-CB 3.43Å; Y44-K48 PolarHBondContact O-N 3.46Å; Y44-K48 WeakPolarHBondContact OH-CD 3.15Å; Y44-L67 HydrophobicContact CD2-CD2 4.35Å; Y44-P76 HydrophobicContact CD1-CB 4.07Å; Y44-P76 HydrophobicContact CD2-CB 3.79Å; Y44-P76 HydrophobicContact CD2-CG 4.19Å; Y44-P76 HydrophobicContact CE1-CB 3.97Å; Y44-P76 HydrophobicContact CE2-CB 3.66Å; Y44-P76 HydrophobicContact CE2-CG 4.42Å; Y44-P76 HydrophobicContact CG-CB 4Å; Y44-P76 HydrophobicContact CG-CG 4.47Å; Y44-D77 PolarHBondContact OH-N 3.28Å; Y44-D77 PolarHBondContact OH-O 3.28Å; Y44-L78 HydrophobicContact CD2-CD2 3.93Å; Y44-L78 HydrophobicContact CE2-CD2 4.1Å; Y44-F80 HydrophobicContact CE2-CE1 4.08Å |
| 45 | E | 77.1 | Confident | 67.1 | Low | 107 Ų | 107 | 60 Ų | 60 | 50% | 0.5 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64.7 | -19.1 | 176.5 | -68.9 | 71.1 | -161.5 | 0 | 0 | 112.7 | G42 L49 R474 | G42-E45 WeakPolarHBondContact CA-OE2 3.44Å; G42-E45 PolarHBondContact O-N 3.23Å; E45-L49 VanDerWaalsContact O-CB 3.3Å; E45-L49 WeakPolarHBondContact O-CB 3.15Å; E45-R474 VanDerWaalsContact C-NH2 3.31Å; E45-R474 PolarHBondContact O-NH2 3.1Å |
| 46 | M | 70.5 | Confident | 68.5 | Low | 10 Ų | 10 | 58.5 Ų | 58.5 | 5% | 0.049 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -86.5 | -49.4 | 172.2 | -171.3 | 147.6 | 179.7 | 0 | 0 | 112.2 | G42 S43 Y44 K48 L49 I50 Y469 P471 | G42-M46 PolarHBondContact O-N 2.83Å; G42-M46 VanDerWaalsContact O-N 3.09Å; S43-M46 PolarHBondContact O-N 3.46Å; Y44-M46 PolarHBondContact O-N 3.43Å; M46-K48 VanDerWaalsContact C-N 3.3Å; M46-K48 PolarHBondContact O-N 3.18Å; M46-L49 PolarHBondContact O-N 2.91Å; M46-I50 HydrophobicContact CE-CD1 4.24Å; M46-I50 HydrophobicContact CG-CD1 3.85Å; M46-I50 WeakPolarHBondContact O-CD1 3.48Å; M46-I50 VanDerWaalsContact O-CG1 3.25Å; M46-I50 WeakPolarHBondContact O-CG1 3.27Å; M46-I50 PolarHBondContact O-N 3.3Å; M46-I50 VanDerWaalsContact O-N 3.1Å; M46-Y469 HydrophobicContact CE-CE2 3.98Å; M46-P471 HydrophobicContact CE-CB 3.97Å |
| 47 | I | 78.4 | Confident | 70.4 | Confident | 3 Ų | 3 | 55.6 Ų | 55.6 | 2% | 0.015 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -59.5 | -43.1 | 176.6 | -69.3 | 162.3 | 0 | 0 | 0 | 110.5 | S43 Y44 L51 L64 L67 F80 | S43-I47 VanDerWaalsContact O-CG1 3.32Å; S43-I47 WeakPolarHBondContact O-CG1 3.46Å; S43-I47 PolarHBondContact O-N 3.49Å; Y44-I47 PolarHBondContact O-N 3.29Å; I47-L51 HydrophobicContact CG2-CD1 4.05Å; I47-L51 WeakPolarHBondContact O-CB 3.46Å; I47-L51 WeakPolarHBondContact O-CG 3.26Å; I47-L51 PolarHBondContact O-N 3.12Å; I47-L64 HydrophobicContact CD1-CD2 4.12Å; I47-L64 HydrophobicContact CG1-CD2 4.48Å; I47-L64 HydrophobicContact CG2-CD2 3.64Å; I47-L67 HydrophobicContact CD1-CD2 3.76Å; I47-L67 HydrophobicContact CD1-CG 4.27Å; I47-F80 HydrophobicContact CG2-CE2 3.99Å; I47-F80 HydrophobicContact CG2-CZ 4.03Å |
| 48 | K | 82.5 | Confident | 72.4 | Confident | 38 Ų | 38 | 53.6 Ų | 53.6 | 17% | 0.165 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.3 | -53.7 | 175.7 | -173.2 | 160.1 | -167.8 | 164 | 0 | 111.8 | Y44 M46 I50 L51 D52 D77 F80 | Y44-K48 HydrophobicContact CE2-CB 4.29Å; Y44-K48 HydrophobicContact CE2-CD 4.12Å; Y44-K48 VanDerWaalsContact O-CB 3.29Å; Y44-K48 WeakPolarHBondContact O-CB 3.43Å; Y44-K48 PolarHBondContact O-N 3.46Å; Y44-K48 WeakPolarHBondContact OH-CD 3.15Å; M46-K48 VanDerWaalsContact C-N 3.3Å; M46-K48 PolarHBondContact O-N 3.18Å; K48-I50 PolarHBondContact O-N 3.27Å; K48-I50 VanDerWaalsContact O-N 3.11Å; K48-L51 PolarHBondContact O-N 3.35Å; K48-D52 WeakPolarHBondContact CE-OD1 3.38Å; K48-D52 WeakPolarHBondContact CE-OD2 3.06Å; K48-D52 HydrophobicContact CG-CB 4.23Å; K48-D52 IonicContact NZ-OD1 3.89Å; K48-D52 WeakPolarHBondContact O-CB 3.35Å; K48-D52 PolarHBondContact O-N 2.82Å; K48-D77 IonicContact NZ-OD2 3.43Å; K48-D77 PolarHBondContact NZ-OD2 3.1Å; K48-F80 HydrophobicContact CB-CD1 4.36Å; K48-F80 HydrophobicContact CB-CE1 3.66Å; K48-F80 HydrophobicContact CB-CZ 3.79Å; K48-F80 HydrophobicContact CD-CD1 3.97Å; K48-F80 HydrophobicContact CD-CE1 3.78Å; K48-F80 HydrophobicContact CG-CD1 3.84Å; K48-F80 HydrophobicContact CG-CE1 3.62Å; K48-F80 HydrophobicContact CG-CZ 4.19Å |
| 49 | L | 72.6 | Confident | 73.5 | Confident | 110 Ų | 110 | 52.3 Ų | 52.3 | 58% | 0.576 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -61.4 | -25.8 | -177.3 | -173.9 | 132.1 | 0 | 0 | 0 | 113.6 | E45 M46 | E45-L49 VanDerWaalsContact O-CB 3.3Å; E45-L49 WeakPolarHBondContact O-CB 3.15Å; M46-L49 PolarHBondContact O-N 2.91Å |
| 50 | I | 67.8 | Low | 74.9 | Confident | 42 Ų | 42 | 51.2 Ų | 51.2 | 22% | 0.215 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -76.9 | -27.5 | 174.3 | -67 | 166.5 | 0 | 0 | 0 | 112.3 | T30 M32 M46 K48 | T30-I50 HydrophobicContact CG2-CG2 4.06Å; M32-I50 HydrophobicContact CE-CD1 3.77Å; M32-I50 HydrophobicContact CE-CG2 4.41Å; M46-I50 HydrophobicContact CE-CD1 4.24Å; M46-I50 HydrophobicContact CG-CD1 3.85Å; M46-I50 WeakPolarHBondContact O-CD1 3.48Å; M46-I50 VanDerWaalsContact O-CG1 3.25Å; M46-I50 WeakPolarHBondContact O-CG1 3.27Å; M46-I50 PolarHBondContact O-N 3.3Å; M46-I50 VanDerWaalsContact O-N 3.1Å; K48-I50 PolarHBondContact O-N 3.27Å; K48-I50 VanDerWaalsContact O-N 3.11Å |
| 51 | L | 76.4 | Confident | 76.4 | Confident | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -120.8 | -11.6 | -166.1 | -61.7 | 173.7 | 0 | 0 | 0 | 115.6 | I47 K48 Q53 C55 I58 L62 F80 L81 I84 | I47-L51 HydrophobicContact CG2-CD1 4.05Å; I47-L51 WeakPolarHBondContact O-CB 3.46Å; I47-L51 WeakPolarHBondContact O-CG 3.26Å; I47-L51 PolarHBondContact O-N 3.12Å; K48-L51 PolarHBondContact O-N 3.35Å; L51-Q53 PolarHBondContact O-N 3.31Å; L51-C55 HydrophobicContact CD2-CB 4.03Å; L51-I58 HydrophobicContact CD2-CD1 3.94Å; L51-I58 HydrophobicContact CD2-CG1 4.38Å; L51-L62 HydrophobicContact CD1-CD1 3.86Å; L51-F80 HydrophobicContact CB-CD2 3.64Å; L51-F80 HydrophobicContact CB-CE2 3.85Å; L51-F80 HydrophobicContact CD1-CE2 4.1Å; L51-L81 HydrophobicContact CD1-CD2 3.79Å; L51-I84 HydrophobicContact CD1-CD1 4.41Å |
| 52 | D | 69.8 | Low | 77.9 | Confident | 81 Ų | 81 | 38.4 Ų | 38.4 | 43% | 0.433 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -11.7 | -173.9 | -130 | 10 | 0 | 0 | 0 | 114.7 | K48 N54 | K48-D52 WeakPolarHBondContact CE-OD1 3.38Å; K48-D52 WeakPolarHBondContact CE-OD2 3.06Å; K48-D52 HydrophobicContact CG-CB 4.23Å; K48-D52 IonicContact NZ-OD1 3.89Å; K48-D52 WeakPolarHBondContact O-CB 3.35Å; K48-D52 PolarHBondContact O-N 2.82Å; D52-N54 PolarHBondContact O-N 3.38Å |
| 53 | Q | 67.6 | Low | 79.1 | Confident | 154 Ų | 154 | 36.6 Ų | 36.6 | 72% | 0.72 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | 19.6 | -177.6 | -55.3 | -166.7 | 14.9 | 0 | 0 | 113.6 | K26 L51 | K26-Q53 WeakPolarHBondContact CD-O 3.32Å; K26-Q53 PolarHBondContact NZ-O 2.88Å; L51-Q53 PolarHBondContact O-N 3.31Å |
| 54 | N | 77.3 | Confident | 80 | Confident | 95 Ų | 95 | 36.4 Ų | 36.4 | 51% | 0.508 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.3 | 62.6 | -168.7 | -63.5 | -13.2 | 0 | 0 | 0 | 112.6 | K26 D52 T56 S83 | K26-N54 WeakPolarHBondContact CB-O 3.42Å; K26-N54 HydrophobicContact CD-CB 4.21Å; K26-N54 WeakPolarHBondContact CD-O 3.44Å; D52-N54 PolarHBondContact O-N 3.38Å; N54-T56 PolarHBondContact O-N 2.03Å; N54-S83 WeakPolarHBondContact CA-OG 3.06Å |
| 55 | C | 84.2 | Confident | 80.1 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.181 | C | C | . | . | trans | -68.5 | 122 | -179.3 | -160.6 | 0 | 0 | 0 | 0 | 113.4 | C28 L51 S83 I84 | C28-C55 HydrophobicContact CB-CB 4.27Å; C28-C55 WeakPolarHBondContact CB-SG 3.42Å; C28-C55 WeakPolarHBondContact SG-CA 3.42Å; C28-C55 WeakPolarHBondContact SG-CB 3.41Å; C28-C55 CovalentContact SG-SG 2.03Å; C28-C55 PolarHBondContact SG-SG 3.42Å; L51-C55 HydrophobicContact CD2-CB 4.03Å; C55-S83 PolarHBondContact N-OG 2.84Å; C55-S83 VanDerWaalsContact N-OG 3.11Å; C55-S83 CarbonylContact O-C 3.49Å; C55-S83 WeakPolarHBondContact O-CB 3.45Å; C55-S83 PolarHBondContact O-OG 2.91Å; C55-I84 VanDerWaalsContact O-CA 3.27Å; C55-I84 WeakPolarHBondContact O-CA 3.16Å; C55-I84 WeakPolarHBondContact O-CG1 3.23Å; C55-I84 PolarHBondContact O-N 3.09Å; C55-I84 VanDerWaalsContact O-N 3.15Å | ||
| 56 | T | 88.9 | Confident | 80.4 | Confident | 17 Ų | 17 | 30.3 Ų | 30.3 | 10% | 0.104 | 16% | 0.16 | C | C | . | . | trans | -100.9 | -37.7 | 176.8 | 68.8 | 0 | 0 | 0 | 0 | 113.7 | K26 N54 S83 Q85 E86 | K26-T56 HydrophobicContact CB-CG2 4.29Å; K26-T56 PolarHBondContact N-OG1 3.04Å; K26-T56 WeakPolarHBondContact O-CA 3.05Å; K26-T56 PolarHBondContact O-N 3.38Å; K26-T56 PolarHBondContact O-OG1 2.03Å; N54-T56 PolarHBondContact O-N 2.03Å; T56-S83 WeakPolarHBondContact CA-O 3.31Å; T56-Q85 WeakPolarHBondContact O-CA 3.38Å; T56-Q85 WeakPolarHBondContact O-CB 3.46Å; T56-Q85 PolarHBondContact O-N 3.46Å; T56-E86 PolarHBondContact O-N 2.83Å; T56-E86 VanDerWaalsContact O-N 3.13Å | ||
| 57 | H | 87 | Confident | 81.2 | Confident | 13 Ų | 13 | 29.9 Ų | 29.9 | 6% | 0.06 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 111.6 | -175.3 | -73.9 | 63.5 | 0 | 0 | 0 | 108.9 | K26 V27 C28 M59 | K26-H57 PolarHBondContact O-N 3.17Å; V27-H57 WeakPolarHBondContact CA-O 3.46Å; V27-H57 HydrophobicContact CG2-CB 4.46Å; C28-H57 PolarHBondContact N-O 2.9Å; H57-M59 HydrophobicContact CB-CE 4.37Å |
| 58 | I | 86.2 | Confident | 81.6 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 110.2 | 177.9 | -68 | 178.4 | 0 | 0 | 0 | 108.5 | T30 L51 G60 L62 I84 E86 I87 S88 | T30-I58 HydrophobicContact CG2-CG2 3.91Å; T30-I58 WeakPolarHBondContact OG1-CG2 3.39Å; L51-I58 HydrophobicContact CD2-CD1 3.94Å; L51-I58 HydrophobicContact CD2-CG1 4.38Å; I58-G60 PolarHBondContact O-N 2.97Å; I58-L62 HydrophobicContact CD1-CB 4.26Å; I58-L62 HydrophobicContact CD1-CD1 4.26Å; I58-L62 HydrophobicContact CD1-CD2 3.96Å; I58-L62 HydrophobicContact CD1-CG 4.4Å; I58-I84 HydrophobicContact CD1-CD1 3.77Å; I58-I84 HydrophobicContact CD1-CG1 4.07Å; I58-I84 HydrophobicContact CD1-CG2 3.97Å; I58-I84 HydrophobicContact CG1-CG2 4.33Å; I58-E86 PolarHBondContact N-O 2.9Å; I58-I87 HydrophobicContact CB-CG1 4.32Å; I58-I87 HydrophobicContact CD1-CG1 4.45Å; I58-I87 HydrophobicContact CG2-CG2 4.44Å; I58-S88 PolarHBondContact O-N 2.86Å; I58-S88 PolarHBondContact O-OG 2.82Å |
| 59 | M | 79.6 | Confident | 81.9 | Confident | 20 Ų | 20 | 33.4 Ų | 33.4 | 10% | 0.099 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 87.4 | 172.4 | -69.8 | -65.9 | 119.8 | 0 | 0 | 108.9 | V27 C28 F29 T30 H57 S88 | V27-M59 HydrophobicContact CG1-CB 4.23Å; V27-M59 HydrophobicContact CG1-CG 3.38Å; C28-M59 PolarHBondContact O-N 2.92Å; F29-M59 WeakPolarHBondContact CA-O 3.37Å; F29-M59 HydrophobicContact CD1-CB 3.39Å; F29-M59 HydrophobicContact CD1-CG 4.35Å; F29-M59 HydrophobicContact CE1-CB 3.2Å; F29-M59 HydrophobicContact CE1-CG 3.69Å; F29-M59 HydrophobicContact CG-CB 4.18Å; F29-M59 HydrophobicContact CZ-CB 3.84Å; F29-M59 HydrophobicContact CZ-CG 3.89Å; T30-M59 PolarHBondContact N-O 3.36Å; H57-M59 HydrophobicContact CB-CE 4.37Å; M59-S88 WeakPolarHBondContact CA-OG 3.04Å |
| 60 | G | 79 | Confident | 82.5 | Confident | 16 Ų | 16 | 32.9 Ų | 32.9 | 17% | 0.165 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 141.2 | -157.9 | -170.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | T30 I58 S88 G89 | T30-G60 WeakPolarHBondContact OG1-CA 3.37Å; I58-G60 PolarHBondContact O-N 2.97Å; G60-S88 PolarHBondContact N-OG 2.99Å; G60-G89 VanDerWaalsContact O-CA 3.3Å; G60-G89 WeakPolarHBondContact O-CA 3.08Å; G60-G89 PolarHBondContact O-N 2.99Å |
| 61 | N | 85.7 | Confident | 83.2 | Confident | 16 Ų | 16 | 36.5 Ų | 36.5 | 9% | 0.086 | 20% | 0.199 | C | C | . | . | trans | -103.4 | 159.2 | 180 | -44.9 | -52.8 | 0 | 0 | 0 | 110.8 | T30 M32 N33 G89 Y90 | T30-N61 VanDerWaalsContact CB-O 3.24Å; T30-N61 WeakPolarHBondContact CB-O 3.33Å; T30-N61 PolarHBondContact OG1-N 3.03Å; T30-N61 VanDerWaalsContact OG1-N 3.15Å; T30-N61 PolarHBondContact OG1-O 3.32Å; M32-N61 HydrophobicContact CB-CB 4.31Å; M32-N61 WeakPolarHBondContact O-CB 3.43Å; M32-N61 PolarHBondContact O-ND2 3.47Å; N33-N61 PolarHBondContact OD1-ND2 2.98Å; N61-G89 VanDerWaalsContact OD1-CA 3.31Å; N61-G89 WeakPolarHBondContact OD1-CA 3.23Å; N61-Y90 WeakPolarHBondContact CA-O 3.45Å; N61-Y90 HydrophobicContact CB-CD1 4.45Å; N61-Y90 HydrophobicContact CB-CD2 3.75Å; N61-Y90 HydrophobicContact CB-CE1 4.26Å; N61-Y90 HydrophobicContact CB-CE2 3.5Å; N61-Y90 HydrophobicContact CB-CG 4.22Å; N61-Y90 WeakPolarHBondContact ND2-CE1 3.36Å; N61-Y90 PolarHBondContact ND2-OH 3.44Å; N61-Y90 VanDerWaalsContact OD1-CD1 3.27Å; N61-Y90 WeakPolarHBondContact OD1-CD1 3.48Å; N61-Y90 VanDerWaalsContact OD1-CE1 3.29Å; N61-Y90 WeakPolarHBondContact OD1-CE1 3.44Å; N61-Y90 PolarHBondContact OD1-N 2.85Å; N61-Y90 VanDerWaalsContact OD1-N 3.17Å | ||
| 62 | L | 89.3 | Confident | 83.6 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 114.3 | 171 | 179.9 | 56.9 | 0 | 0 | 0 | 109.7 | M32 L51 I58 L64 I84 I87 Y90 L91 I92 L103 | M32-L62 HydrophobicContact SD-CD1 4.49Å; L51-L62 HydrophobicContact CD1-CD1 3.86Å; I58-L62 HydrophobicContact CD1-CB 4.26Å; I58-L62 HydrophobicContact CD1-CD1 4.26Å; I58-L62 HydrophobicContact CD1-CD2 3.96Å; I58-L62 HydrophobicContact CD1-CG 4.4Å; L62-L64 HydrophobicContact CD1-CD2 3.83Å; L62-L64 HydrophobicContact CD1-CG 4.36Å; L62-L64 HydrophobicContact CG-CD2 4.18Å; L62-L64 HydrophobicContact CG-CG 4.18Å; L62-I84 HydrophobicContact CD2-CD1 3.95Å; L62-I87 HydrophobicContact CB-CD1 4.02Å; L62-I87 HydrophobicContact CD2-CD1 4.03Å; L62-Y90 PolarHBondContact N-O 2.96Å; L62-L91 HydrophobicContact CB-CD1 3.97Å; L62-L91 HydrophobicContact CD2-CD1 3.9Å; L62-L91 HydrophobicContact CG-CD1 3.84Å; L62-L91 CarbonylContact O-C 3.54Å; L62-L91 WeakPolarHBondContact O-CA 3.2Å; L62-I92 PolarHBondContact O-N 2.97Å; L62-L103 HydrophobicContact CD2-CD2 4.17Å |
| 63 | I | 87.9 | Confident | 84.2 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 109.8 | 174.2 | -57.4 | -176.8 | 0 | 0 | 0 | 108.1 | M32 Y38 T65 Y90 I92 | M32-I63 HydrophobicContact CB-CB 4.39Å; M32-I63 HydrophobicContact CB-CD1 4Å; M32-I63 HydrophobicContact CB-CG1 3.92Å; M32-I63 WeakPolarHBondContact O-CD1 3.36Å; M32-I63 HydrophobicContact SD-CB 4.18Å; M32-I63 PolarHBondContact SD-N 2.83Å; Y38-I63 HydrophobicContact CD2-CG2 4.49Å; Y38-I63 HydrophobicContact CE2-CB 4.46Å; Y38-I63 HydrophobicContact CE2-CD1 4.19Å; Y38-I63 HydrophobicContact CE2-CG2 4.4Å; I63-T65 HydrophobicContact CG2-CG2 4.2Å; I63-Y90 HydrophobicContact CD1-CE2 4.44Å; I63-Y90 HydrophobicContact CG1-CE2 4.42Å; I63-I92 HydrophobicContact CD1-CD1 4.31Å; I63-I92 HydrophobicContact CG1-CB 4.21Å; I63-I92 HydrophobicContact CG1-CD1 4.3Å; I63-I92 HydrophobicContact CG2-CB 4.34Å; I63-I92 HydrophobicContact CG2-CG2 4.39Å |
| 64 | L | 89 | Confident | 85.2 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 107.4 | 170.8 | -58.4 | -178 | 0 | 0 | 0 | 107.9 | I47 L62 L67 L81 I92 I93 M94 I101 L103 | I47-L64 HydrophobicContact CD1-CD2 4.12Å; I47-L64 HydrophobicContact CG1-CD2 4.48Å; I47-L64 HydrophobicContact CG2-CD2 3.64Å; L62-L64 HydrophobicContact CD1-CD2 3.83Å; L62-L64 HydrophobicContact CD1-CG 4.36Å; L62-L64 HydrophobicContact CG-CD2 4.18Å; L62-L64 HydrophobicContact CG-CG 4.18Å; L64-L67 HydrophobicContact CB-CD1 4.12Å; L64-L67 HydrophobicContact CD2-CD1 4.44Å; L64-L81 HydrophobicContact CD1-CD1 3.98Å; L64-L81 HydrophobicContact CD2-CD1 4.35Å; L64-L81 HydrophobicContact CD2-CD2 4.22Å; L64-I92 PolarHBondContact N-O 2.96Å; L64-I93 HydrophobicContact CB-CG1 4.36Å; L64-I93 HydrophobicContact CD1-CD1 4.43Å; L64-I93 HydrophobicContact CD1-CG1 4.28Å; L64-I93 CarbonylContact O-C 3.52Å; L64-I93 WeakPolarHBondContact O-CA 3.33Å; L64-M94 PolarHBondContact O-N 3Å; L64-I101 HydrophobicContact CD1-CG2 3.67Å; L64-L103 HydrophobicContact CD1-CD1 4.32Å |
| 65 | T | 85.9 | Confident | 85.8 | Confident | 15 Ų | 15 | 31.9 Ų | 31.9 | 9% | 0.092 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 149.8 | 179.3 | -170.5 | 0 | 0 | 0 | 0 | 110.2 | Y38 S43 I63 L67 M94 | Y38-T65 HydrophobicContact CD2-CG2 4.26Å; Y38-T65 HydrophobicContact CG-CG2 3.93Å; S43-T65 WeakPolarHBondContact CB-O 3.32Å; I63-T65 HydrophobicContact CG2-CG2 4.2Å; T65-L67 VanDerWaalsContact C-N 3.29Å; T65-L67 PolarHBondContact O-N 2.9Å; T65-M94 WeakPolarHBondContact CA-O 3.42Å |
| 66 | G | 81.9 | Confident | 86 | Confident | 6 Ų | 6 | 32.3 Ų | 32.3 | 6% | 0.062 | 19% | 0.192 | C | C | . | . | trans | 65 | 25.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y68 H95 | G66-Y68 WeakPolarHBondContact O-CD2 3.17Å; G66-Y68 PolarHBondContact O-N 2.92Å; G66-Y68 VanDerWaalsContact O-N 3.16Å; G66-H95 PolarHBondContact N-O 2.82Å | ||
| 67 | L | 88.1 | Confident | 86 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 21% | 0.205 | C | C | . | . | trans | -80.1 | 97.1 | 173.4 | -58.7 | -180 | 0 | 0 | 0 | 108.7 | Y44 I47 L64 T65 L78 S96 N97 V98 I101 | Y44-L67 HydrophobicContact CD2-CD2 4.35Å; I47-L67 HydrophobicContact CD1-CD2 3.76Å; I47-L67 HydrophobicContact CD1-CG 4.27Å; L64-L67 HydrophobicContact CB-CD1 4.12Å; L64-L67 HydrophobicContact CD2-CD1 4.44Å; T65-L67 VanDerWaalsContact C-N 3.29Å; T65-L67 PolarHBondContact O-N 2.9Å; L67-L78 HydrophobicContact CD1-CD1 4.12Å; L67-L78 HydrophobicContact CD1-CD2 4.02Å; L67-L78 HydrophobicContact CD2-CD2 4.14Å; L67-S96 WeakPolarHBondContact CB-OG 3.43Å; L67-S96 PolarHBondContact N-OG 2.93Å; L67-S96 CarbonylContact O-C 3.52Å; L67-S96 WeakPolarHBondContact O-CA 3.37Å; L67-S96 VanDerWaalsContact O-CB 3.28Å; L67-S96 WeakPolarHBondContact O-CB 3.48Å; L67-N97 PolarHBondContact O-N 2.99Å; L67-V98 HydrophobicContact CB-CG1 4.13Å; L67-V98 HydrophobicContact CB-CG2 4.35Å; L67-I101 HydrophobicContact CD1-CD1 4.4Å | ||
| 68 | Y | 87.4 | Confident | 86.2 | Confident | 64 Ų | 64 | 34.6 Ų | 34.6 | 25% | 0.251 | 20% | 0.204 | S | C | . | . | P | Polyproline II helix | trans | -103.2 | 151.4 | 179 | -58.4 | -56.7 | 0 | 0 | 0 | 112.6 | G66 P76 H95 N97 K134 | G66-Y68 WeakPolarHBondContact O-CD2 3.17Å; G66-Y68 PolarHBondContact O-N 2.92Å; G66-Y68 VanDerWaalsContact O-N 3.16Å; Y68-P76 WeakPolarHBondContact O-CD 3.29Å; Y68-H95 WeakPolarHBondContact CE1-O 3.43Å; Y68-H95 VanDerWaalsContact CZ-O 3.23Å; Y68-H95 PolarHBondContact OH-O 3.48Å; Y68-H95 VanDerWaalsContact OH-O 3.05Å; Y68-N97 VanDerWaalsContact CA-OD1 3.27Å; Y68-N97 WeakPolarHBondContact CA-OD1 3.19Å; Y68-K134 HydrophobicContact CD1-CB 4.29Å; Y68-K134 HydrophobicContact CD1-CD 3.7Å; Y68-K134 HydrophobicContact CE1-CB 4.05Å; Y68-K134 HydrophobicContact CE1-CD 3.46Å; Y68-K134 VanDerWaalsContact CE1-CD 3.46Å; Y68-K134 HydrophobicContact CE1-CG 4.32Å; Y68-K134 HydrophobicContact CG-CD 4.42Å |
| 69 | R | 88 | Confident | 86.4 | Confident | 52 Ų | 52 | 37.6 Ų | 37.6 | 20% | 0.196 | 23% | 0.225 | C | C | . | . | P | Polyproline II helix | trans | -70.9 | 149 | 168.7 | -69 | 172.9 | 62.7 | -156.6 | -13.7 | 110.2 | G73 D75 N97 V98 N99 E137 | R69-G73 VanDerWaalsContact CZ-O 3.24Å; R69-G73 PolarHBondContact NE-O 2.76Å; R69-G73 PolarHBondContact NH2-O 2.77Å; R69-D75 VanDerWaalsContact CD-OD1 3.31Å; R69-D75 WeakPolarHBondContact CD-OD1 3.39Å; R69-D75 WeakPolarHBondContact CG-OD1 3.15Å; R69-D75 IonicContact NE-OD1 2.65Å; R69-D75 PolarHBondContact NE-OD1 2.82Å; R69-N97 WeakPolarHBondContact CD-O 3.07Å; R69-N97 PolarHBondContact N-OD1 2.02Å; R69-V98 HydrophobicContact CG-CG1 4.27Å; R69-N99 PolarHBondContact NE-ND2 3.01Å; R69-N99 VanDerWaalsContact NE-ND2 3.12Å; R69-N99 PolarHBondContact NH1-ND2 3.01Å; R69-E137 VanDerWaalsContact CD-OE2 3.31Å; R69-E137 WeakPolarHBondContact CD-OE2 3.43Å; R69-E137 VanDerWaalsContact CZ-CD 3.47Å; R69-E137 IonicContact CZ-OE1 2.82Å; R69-E137 IonicContact CZ-OE2 3.15Å; R69-E137 IonicContact NE-OE2 3.46Å; R69-E137 PolarHBondContact NE-OE2 3.47Å; R69-E137 IonicContact NH1-OE1 2.69Å; R69-E137 PolarHBondContact NH1-OE1 2.9Å; R69-E137 IonicContact NH1-OE2 2.82Å; R69-E137 PolarHBondContact NH1-OE2 2.9Å; R69-E137 IonicContact NH2-OE1 2.75Å; R69-E137 PolarHBondContact NH2-OE1 2.03Å; R69-E137 IonicContact NH2-OE2 2.73Å |
| 70 | K | 84.7 | Confident | 86.8 | Confident | 98 Ų | 98 | 37 Ų | 37 | 43% | 0.426 | 22% | 0.222 | S | C | . | . | P | Polyproline II helix | trans | -74.3 | 166.5 | 179.9 | -58.5 | -172.6 | -140.4 | 75 | 0 | 110.6 | D72 G73 S74 D75 | K70-D72 VanDerWaalsContact CB-OD1 3.31Å; K70-D72 WeakPolarHBondContact CB-OD1 3.4Å; K70-D72 PolarHBondContact O-N 3.2Å; K70-D72 VanDerWaalsContact O-N 3.08Å; K70-G73 WeakPolarHBondContact O-CA 2.99Å; K70-G73 PolarHBondContact O-N 2.88Å; K70-S74 PolarHBondContact N-O 3.14Å; K70-S74 PolarHBondContact NZ-OG 2.68Å; K70-D75 PolarHBondContact NZ-O 2.82Å |
| 71 | A | 82.7 | Confident | 87.4 | Confident | 118 Ų | 118 | 36.2 Ų | 36.2 | 98% | 0.975 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -12.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | G73 | A71-G73 VanDerWaalsContact C-N 3.34Š|
| 72 | D | 85.9 | Confident | 87.6 | Confident | 120 Ų | 120 | 40.5 Ų | 40.5 | 64% | 0.642 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | 4.4 | 170.6 | 65.9 | -3.1 | 0 | 0 | 0 | 113.1 | K70 S74 | K70-D72 VanDerWaalsContact CB-OD1 3.31Å; K70-D72 WeakPolarHBondContact CB-OD1 3.4Å; K70-D72 PolarHBondContact O-N 3.2Å; K70-D72 VanDerWaalsContact O-N 3.08Å; D72-S74 VanDerWaalsContact C-N 3.27Å; D72-S74 PolarHBondContact O-N 3.05Å; D72-S74 VanDerWaalsContact OD1-CB 3.24Å; D72-S74 WeakPolarHBondContact OD1-CB 3.32Å; D72-S74 PolarHBondContact OD1-N 2.85Å; D72-S74 PolarHBondContact OD1-OG 3.35Å; D72-S74 PolarHBondContact OD2-OG 3.1Å; D72-S74 VanDerWaalsContact OD2-OG 3.08Å |
| 73 | G | 81.9 | Confident | 87.7 | Confident | 29 Ų | 29 | 41.6 Ų | 41.6 | 30% | 0.299 | 24% | 0.24 | S | C | . | . | S | Bend | trans | 76.8 | 2.1 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | R69 K70 A71 | R69-G73 VanDerWaalsContact CZ-O 3.24Å; R69-G73 PolarHBondContact NE-O 2.76Å; R69-G73 PolarHBondContact NH2-O 2.77Å; K70-G73 WeakPolarHBondContact O-CA 2.99Å; K70-G73 PolarHBondContact O-N 2.88Å; A71-G73 VanDerWaalsContact C-N 3.34Å |
| 74 | S | 89.2 | Confident | 87.8 | Confident | 39 Ų | 39 | 41.6 Ų | 41.6 | 27% | 0.273 | 24% | 0.24 | S | C | . | . | P | Polyproline II helix | trans | -80.7 | 139.3 | 179.2 | 68.5 | 0 | 0 | 0 | 0 | 112.4 | K70 D72 | K70-S74 PolarHBondContact N-O 3.14Å; K70-S74 PolarHBondContact NZ-OG 2.68Å; D72-S74 VanDerWaalsContact C-N 3.27Å; D72-S74 PolarHBondContact O-N 3.05Å; D72-S74 VanDerWaalsContact OD1-CB 3.24Å; D72-S74 WeakPolarHBondContact OD1-CB 3.32Å; D72-S74 PolarHBondContact OD1-N 2.85Å; D72-S74 PolarHBondContact OD1-OG 3.35Å; D72-S74 PolarHBondContact OD2-OG 3.1Å; D72-S74 VanDerWaalsContact OD2-OG 3.08Å |
| 75 | D | 89.6 | Confident | 88 | Confident | 46 Ų | 46 | 42.9 Ų | 42.9 | 25% | 0.246 | 25% | 0.246 | C | C | . | . | P | Polyproline II helix | trans | -59.3 | 144.5 | 167.2 | -75.6 | 18.3 | 0 | 0 | 0 | 109.8 | R69 K70 N99 N100 | R69-D75 VanDerWaalsContact CD-OD1 3.31Å; R69-D75 WeakPolarHBondContact CD-OD1 3.39Å; R69-D75 WeakPolarHBondContact CG-OD1 3.15Å; R69-D75 IonicContact NE-OD1 2.65Å; R69-D75 PolarHBondContact NE-OD1 2.82Å; K70-D75 PolarHBondContact NZ-O 2.82Å; D75-N99 VanDerWaalsContact CG-N 3.34Å; D75-N99 PolarHBondContact OD1-N 2.8Å; D75-N99 VanDerWaalsContact OD1-N 3.08Å; D75-N99 PolarHBondContact OD1-ND2 3.44Å; D75-N99 WeakPolarHBondContact OD2-CB 3.05Å; D75-N99 PolarHBondContact OD2-N 3.42Å; D75-N100 PolarHBondContact OD2-N 3.44Å |
| 76 | P | 88.5 | Confident | 88.2 | Confident | 9 Ų | 9 | 42.3 Ų | 42.3 | 6% | 0.058 | 24% | 0.242 | C | C | . | . | P | Polyproline II helix | trans | -66.1 | 160.7 | 168.8 | 31.3 | -33.4 | 0 | 0 | 0 | 110.6 | Y44 Y68 L78 V98 | Y44-P76 HydrophobicContact CD1-CB 4.07Å; Y44-P76 HydrophobicContact CD2-CB 3.79Å; Y44-P76 HydrophobicContact CD2-CG 4.19Å; Y44-P76 HydrophobicContact CE1-CB 3.97Å; Y44-P76 HydrophobicContact CE2-CB 3.66Å; Y44-P76 HydrophobicContact CE2-CG 4.42Å; Y44-P76 HydrophobicContact CG-CB 4Å; Y44-P76 HydrophobicContact CG-CG 4.47Å; Y68-P76 WeakPolarHBondContact O-CD 3.29Å; P76-L78 HydrophobicContact CG-CD2 4.31Å; P76-L78 HydrophobicContact CG-CG 4.26Å; P76-L78 PolarHBondContact O-N 3.33Å; P76-V98 HydrophobicContact CG-CG1 3.8Å |
| 77 | D | 89.1 | Confident | 88.7 | Confident | 72 Ų | 72 | 42 Ų | 42 | 39% | 0.385 | 24% | 0.239 | S | C | . | . | trans | -75.8 | 88.8 | -178.4 | 169.5 | 33.8 | 0 | 0 | 0 | 111.1 | Y44 K48 S79 F80 | Y44-D77 PolarHBondContact OH-N 3.28Å; Y44-D77 PolarHBondContact OH-O 3.28Å; K48-D77 IonicContact NZ-OD2 3.43Å; K48-D77 PolarHBondContact NZ-OD2 3.1Å; D77-S79 VanDerWaalsContact C-N 3.29Å; D77-S79 WeakPolarHBondContact OD1-CB 3.02Å; D77-S79 PolarHBondContact OD1-N 2.91Å; D77-S79 VanDerWaalsContact OD1-N 3.09Å; D77-S79 PolarHBondContact OD1-OG 2.83Å; D77-F80 VanDerWaalsContact O-CD1 3.31Å; D77-F80 WeakPolarHBondContact O-CD1 3.22Å; D77-F80 WeakPolarHBondContact O-CE1 3.49Å | ||
| 78 | L | 90.3 | Very high | 88.7 | Confident | 7 Ų | 7 | 42.6 Ų | 42.6 | 4% | 0.037 | 24% | 0.243 | C | C | . | . | trans | -87.1 | 12.2 | 175.3 | -59.4 | 179.5 | 0 | 0 | 0 | 113.2 | Y44 L67 P76 F80 L81 V98 I101 P102 | Y44-L78 HydrophobicContact CD2-CD2 3.93Å; Y44-L78 HydrophobicContact CE2-CD2 4.1Å; L67-L78 HydrophobicContact CD1-CD1 4.12Å; L67-L78 HydrophobicContact CD1-CD2 4.02Å; L67-L78 HydrophobicContact CD2-CD2 4.14Å; P76-L78 HydrophobicContact CG-CD2 4.31Å; P76-L78 HydrophobicContact CG-CG 4.26Å; P76-L78 PolarHBondContact O-N 3.33Å; L78-F80 HydrophobicContact CD2-CE1 4.41Å; L78-F80 HydrophobicContact CD2-CZ 4.28Å; L78-F80 PolarHBondContact O-N 2.05Å; L78-L81 HydrophobicContact CB-CD1 4.19Å; L78-L81 HydrophobicContact CD2-CD1 4.39Å; L78-L81 WeakPolarHBondContact O-CB 3.04Å; L78-L81 PolarHBondContact O-N 2.88Å; L78-L81 VanDerWaalsContact O-N 3.08Å; L78-V98 HydrophobicContact CD1-CB 4.43Å; L78-V98 HydrophobicContact CD1-CG1 4.38Å; L78-V98 HydrophobicContact CD1-CG2 4.03Å; L78-I101 HydrophobicContact CD1-CG1 4.28Å; L78-P102 HydrophobicContact CB-CG 4.13Å; L78-P102 WeakPolarHBondContact O-CG 3.46Å | ||
| 79 | S | 90.2 | Very high | 88.8 | Confident | 63 Ų | 63 | 39.7 Ų | 39.7 | 44% | 0.441 | 23% | 0.233 | S | C | . | . | G | 310 helix | trans | -61.4 | -28.9 | -173.6 | 64.7 | 0 | 0 | 0 | 0 | 113.7 | D77 L81 K82 | D77-S79 VanDerWaalsContact C-N 3.29Å; D77-S79 WeakPolarHBondContact OD1-CB 3.02Å; D77-S79 PolarHBondContact OD1-N 2.91Å; D77-S79 VanDerWaalsContact OD1-N 3.09Å; D77-S79 PolarHBondContact OD1-OG 2.83Å; S79-L81 PolarHBondContact O-N 2.78Å; S79-K82 VanDerWaalsContact O-CB 3.25Å; S79-K82 WeakPolarHBondContact O-CB 3.41Å; S79-K82 WeakPolarHBondContact O-CG 3.48Å; S79-K82 PolarHBondContact O-N 2.69Å |
| 80 | F | 87.8 | Confident | 89 | Confident | 7 Ų | 7 | 38 Ų | 38 | 3% | 0.031 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -58.8 | -29.7 | 175.1 | 63.1 | -94 | 0 | 0 | 0 | 113.4 | Y44 I47 K48 L51 D77 L78 K82 S83 | Y44-F80 HydrophobicContact CE2-CE1 4.08Å; I47-F80 HydrophobicContact CG2-CE2 3.99Å; I47-F80 HydrophobicContact CG2-CZ 4.03Å; K48-F80 HydrophobicContact CB-CD1 4.36Å; K48-F80 HydrophobicContact CB-CE1 3.66Å; K48-F80 HydrophobicContact CB-CZ 3.79Å; K48-F80 HydrophobicContact CD-CD1 3.97Å; K48-F80 HydrophobicContact CD-CE1 3.78Å; K48-F80 HydrophobicContact CG-CD1 3.84Å; K48-F80 HydrophobicContact CG-CE1 3.62Å; K48-F80 HydrophobicContact CG-CZ 4.19Å; L51-F80 HydrophobicContact CB-CD2 3.64Å; L51-F80 HydrophobicContact CB-CE2 3.85Å; L51-F80 HydrophobicContact CD1-CE2 4.1Å; D77-F80 VanDerWaalsContact O-CD1 3.31Å; D77-F80 WeakPolarHBondContact O-CD1 3.22Å; D77-F80 WeakPolarHBondContact O-CE1 3.49Å; L78-F80 HydrophobicContact CD2-CE1 4.41Å; L78-F80 HydrophobicContact CD2-CZ 4.28Å; L78-F80 PolarHBondContact O-N 2.05Å; F80-K82 PolarHBondContact O-N 2.91Å; F80-K82 VanDerWaalsContact O-N 3.15Å; F80-S83 PolarHBondContact O-N 3.27Å; F80-S83 VanDerWaalsContact O-N 3.09Å; F80-S83 PolarHBondContact O-OG 2.69Å |
| 81 | L | 91.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | -61.9 | -22.2 | 176.4 | -64.7 | -178.6 | 0 | 0 | 0 | 112.6 | L51 L64 L78 S79 S83 I84 I101 L103 | L51-L81 HydrophobicContact CD1-CD2 3.79Å; L64-L81 HydrophobicContact CD1-CD1 3.98Å; L64-L81 HydrophobicContact CD2-CD1 4.35Å; L64-L81 HydrophobicContact CD2-CD2 4.22Å; L78-L81 HydrophobicContact CB-CD1 4.19Å; L78-L81 HydrophobicContact CD2-CD1 4.39Å; L78-L81 WeakPolarHBondContact O-CB 3.04Å; L78-L81 PolarHBondContact O-N 2.88Å; L78-L81 VanDerWaalsContact O-N 3.08Å; S79-L81 PolarHBondContact O-N 2.78Å; L81-S83 PolarHBondContact O-N 3.14Å; L81-I84 HydrophobicContact CB-CD1 4.47Å; L81-I84 HydrophobicContact CD2-CD1 3.84Å; L81-I84 PolarHBondContact O-N 3.36Å; L81-I101 HydrophobicContact CD1-CG2 3.96Å; L81-L103 HydrophobicContact CB-CD2 4.16Å |
| 82 | K | 91.5 | Very high | 89.9 | Confident | 105 Ų | 105 | 27.8 Ų | 27.8 | 46% | 0.457 | 16% | 0.16 | S | C | . | . | G | 310 helix | trans | -65.9 | -16.3 | 175.8 | -63.3 | -175.6 | 171.7 | -174.6 | 0 | 113.7 | S79 F80 I84 P102 S104 N105 | S79-K82 VanDerWaalsContact O-CB 3.25Å; S79-K82 WeakPolarHBondContact O-CB 3.41Å; S79-K82 WeakPolarHBondContact O-CG 3.48Å; S79-K82 PolarHBondContact O-N 2.69Å; F80-K82 PolarHBondContact O-N 2.91Å; F80-K82 VanDerWaalsContact O-N 3.15Å; K82-I84 VanDerWaalsContact C-N 3.3Å; K82-P102 WeakPolarHBondContact CA-O 3.5Å; K82-P102 HydrophobicContact CD-CB 4.45Å; K82-P102 HydrophobicContact CG-CB 3.89Å; K82-P102 HydrophobicContact CG-CG 4.16Å; K82-P102 VanDerWaalsContact CG-O 3.27Å; K82-P102 WeakPolarHBondContact CG-O 3.41Å; K82-P102 PolarHBondContact N-O 3.14Å; K82-S104 WeakPolarHBondContact CG-OG 3.38Å; K82-N105 WeakPolarHBondContact O-CB 3.36Å; K82-N105 PolarHBondContact O-ND2 3.25Å |
| 83 | S | 90.1 | Very high | 90.2 | Very high | 24 Ų | 24 | 22 Ų | 22 | 17% | 0.168 | 13% | 0.129 | C | C | . | . | G | 310 helix | trans | -75.6 | -20 | 179.1 | 56.9 | 0 | 0 | 0 | 0 | 113.5 | N54 C55 T56 F80 L81 | N54-S83 WeakPolarHBondContact CA-OG 3.06Å; C55-S83 PolarHBondContact N-OG 2.84Å; C55-S83 VanDerWaalsContact N-OG 3.11Å; C55-S83 CarbonylContact O-C 3.49Å; C55-S83 WeakPolarHBondContact O-CB 3.45Å; C55-S83 PolarHBondContact O-OG 2.91Å; T56-S83 WeakPolarHBondContact CA-O 3.31Å; F80-S83 PolarHBondContact O-N 3.27Å; F80-S83 VanDerWaalsContact O-N 3.09Å; F80-S83 PolarHBondContact O-OG 2.69Å; L81-S83 PolarHBondContact O-N 3.14Å |
| 84 | I | 91.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.118 | C | C | . | . | trans | -73.5 | 128.8 | -171.5 | -55.7 | 163.2 | 0 | 0 | 0 | 110.4 | L51 C55 I58 L62 L81 K82 I87 L103 N105 L106 | L51-I84 HydrophobicContact CD1-CD1 4.41Å; C55-I84 VanDerWaalsContact O-CA 3.27Å; C55-I84 WeakPolarHBondContact O-CA 3.16Å; C55-I84 WeakPolarHBondContact O-CG1 3.23Å; C55-I84 PolarHBondContact O-N 3.09Å; C55-I84 VanDerWaalsContact O-N 3.15Å; I58-I84 HydrophobicContact CD1-CD1 3.77Å; I58-I84 HydrophobicContact CD1-CG1 4.07Å; I58-I84 HydrophobicContact CD1-CG2 3.97Å; I58-I84 HydrophobicContact CG1-CG2 4.33Å; L62-I84 HydrophobicContact CD2-CD1 3.95Å; L81-I84 HydrophobicContact CB-CD1 4.47Å; L81-I84 HydrophobicContact CD2-CD1 3.84Å; L81-I84 PolarHBondContact O-N 3.36Å; K82-I84 VanDerWaalsContact C-N 3.3Å; I84-I87 HydrophobicContact CG2-CG1 4.18Å; I84-L103 HydrophobicContact CB-CD2 4.5Å; I84-L103 HydrophobicContact CD1-CD2 3.84Å; I84-N105 CarbonylContact O-C 3.54Å; I84-N105 WeakPolarHBondContact O-CB 3.4Å; I84-L106 HydrophobicContact CG2-CD1 4.23Å; I84-L106 WeakPolarHBondContact O-CA 3.43Å; I84-L106 PolarHBondContact O-N 2.86Å | ||
| 85 | Q | 91.4 | Very high | 90.4 | Very high | 26 Ų | 26 | 21.3 Ų | 21.3 | 12% | 0.121 | 11% | 0.114 | C | C | . | . | trans | -116 | -34.4 | -179.4 | -63.6 | -175.3 | -14.9 | 0 | 0 | 112.9 | E23 T56 N105 R107 V108 | E23-Q85 PolarHBondContact OE2-NE2 3.24Å; T56-Q85 WeakPolarHBondContact O-CA 3.38Å; T56-Q85 WeakPolarHBondContact O-CB 3.46Å; T56-Q85 PolarHBondContact O-N 3.46Å; Q85-N105 WeakPolarHBondContact CA-O 3.16Å; Q85-N105 HydrophobicContact CG-CB 4.49Å; Q85-R107 PolarHBondContact O-N 2.74Å; Q85-V108 PolarHBondContact O-N 2.73Å | ||
| 86 | E | 91.6 | Very high | 90.4 | Very high | 3 Ų | 3 | 19.1 Ų | 19.1 | 1% | 0.014 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 142.9 | 179.2 | -177.7 | 167.8 | 116.3 | 0 | 0 | 111.9 | T56 I58 V108 R110 S290 N327 | T56-E86 PolarHBondContact O-N 2.83Å; T56-E86 VanDerWaalsContact O-N 3.13Å; I58-E86 PolarHBondContact N-O 2.9Å; E86-V108 WeakPolarHBondContact CA-O 3.37Å; E86-V108 HydrophobicContact CG-CB 4.08Å; E86-V108 HydrophobicContact CG-CG1 4.4Å; E86-R110 IonicContact OE1-CZ 3.4Å; E86-R110 IonicContact OE1-NE 2.97Å; E86-R110 PolarHBondContact OE1-NE 2.88Å; E86-R110 IonicContact OE1-NH2 2.67Å; E86-R110 PolarHBondContact OE1-NH2 3.06Å; E86-R110 IonicContact OE2-CZ 3.57Å; E86-R110 IonicContact OE2-NE 3.9Å; E86-R110 PolarHBondContact OE2-NE 3.01Å; E86-R110 IonicContact OE2-NH2 3.32Å; E86-R110 PolarHBondContact OE2-NH2 3.02Å; E86-S290 PolarHBondContact OE2-OG 2.91Å; E86-S290 VanDerWaalsContact OE2-OG 3.05Å; E86-N327 PolarHBondContact OE1-ND2 2.74Å |
| 87 | I | 91.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 121.5 | 171.1 | -58.9 | 170.4 | 0 | 0 | 0 | 107.7 | I58 L62 I84 L91 L106 V108 R110 | I58-I87 HydrophobicContact CB-CG1 4.32Å; I58-I87 HydrophobicContact CD1-CG1 4.45Å; I58-I87 HydrophobicContact CG2-CG2 4.44Å; L62-I87 HydrophobicContact CB-CD1 4.02Å; L62-I87 HydrophobicContact CD2-CD1 4.03Å; I84-I87 HydrophobicContact CG2-CG1 4.18Å; I87-L91 HydrophobicContact CD1-CB 4.13Å; I87-L91 HydrophobicContact CD1-CD1 4.43Å; I87-L91 HydrophobicContact CD1-CD2 4.27Å; I87-L106 HydrophobicContact CD1-CD1 3.96Å; I87-L106 HydrophobicContact CD1-CD2 3.83Å; I87-L106 HydrophobicContact CG1-CD1 3.83Å; I87-V108 PolarHBondContact N-O 3.05Å; I87-R110 PolarHBondContact O-N 3.05Å |
| 88 | S | 89 | Confident | 90.6 | Very high | 13 Ų | 13 | 15.6 Ų | 15.6 | 9% | 0.091 | 8% | 0.083 | C | C | . | . | S | Bend | trans | -76.5 | -29.9 | -178.5 | 74.4 | 0 | 0 | 0 | 0 | 113.3 | I58 M59 G60 A111 N112 | I58-S88 PolarHBondContact O-N 2.86Å; I58-S88 PolarHBondContact O-OG 2.82Å; M59-S88 WeakPolarHBondContact CA-OG 3.04Å; G60-S88 PolarHBondContact N-OG 2.99Å; S88-A111 PolarHBondContact O-N 3Å; S88-N112 WeakPolarHBondContact O-CB 3.28Å; S88-N112 PolarHBondContact O-N 3.43Å |
| 89 | G | 88.5 | Confident | 90.6 | Very high | 3 Ų | 3 | 17.3 Ų | 17.3 | 3% | 0.031 | 9% | 0.092 | C | C | . | . | S | Bend | trans | -95.5 | -137 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | G60 N61 I109 A111 | G60-G89 VanDerWaalsContact O-CA 3.3Å; G60-G89 WeakPolarHBondContact O-CA 3.08Å; G60-G89 PolarHBondContact O-N 2.99Å; N61-G89 VanDerWaalsContact OD1-CA 3.31Å; N61-G89 WeakPolarHBondContact OD1-CA 3.23Å; G89-I109 WeakPolarHBondContact O-CG2 3.47Å; G89-A111 WeakPolarHBondContact O-CA 3.29Å; G89-A111 PolarHBondContact O-N 3.35Å |
| 90 | Y | 91.8 | Very high | 90.7 | Very high | 17 Ų | 17 | 17.3 Ų | 17.3 | 7% | 0.067 | 9% | 0.087 | C | C | . | . | trans | -109.3 | 164.7 | -179.6 | 54.9 | -105.6 | 0 | 0 | 0 | 113.3 | M32 N33 N61 L62 I63 I92 Y116 A126 | M32-Y90 PolarHBondContact O-OH 3.36Å; N33-Y90 PolarHBondContact O-OH 3.08Å; N61-Y90 WeakPolarHBondContact CA-O 3.45Å; N61-Y90 HydrophobicContact CB-CD1 4.45Å; N61-Y90 HydrophobicContact CB-CD2 3.75Å; N61-Y90 HydrophobicContact CB-CE1 4.26Å; N61-Y90 HydrophobicContact CB-CE2 3.5Å; N61-Y90 HydrophobicContact CB-CG 4.22Å; N61-Y90 WeakPolarHBondContact ND2-CE1 3.36Å; N61-Y90 PolarHBondContact ND2-OH 3.44Å; N61-Y90 VanDerWaalsContact OD1-CD1 3.27Å; N61-Y90 WeakPolarHBondContact OD1-CD1 3.48Å; N61-Y90 VanDerWaalsContact OD1-CE1 3.29Å; N61-Y90 WeakPolarHBondContact OD1-CE1 3.44Å; N61-Y90 PolarHBondContact OD1-N 2.85Å; N61-Y90 VanDerWaalsContact OD1-N 3.17Å; L62-Y90 PolarHBondContact N-O 2.96Å; I63-Y90 HydrophobicContact CD1-CE2 4.44Å; I63-Y90 HydrophobicContact CG1-CE2 4.42Å; Y90-I92 HydrophobicContact CD2-CD1 3.89Å; Y90-I92 HydrophobicContact CD2-CG1 3.85Å; Y90-I92 HydrophobicContact CE2-CD1 3.63Å; Y90-I92 HydrophobicContact CE2-CG1 4.08Å; Y90-Y116 HydrophobicContact CE1-CD2 4.06Å; Y90-Y116 HydrophobicContact CE1-CG 4.48Å; Y90-Y116 AromaticContact CE2-CD2 3.96Å; Y90-Y116 HydrophobicContact CE2-CD2 3.96Å; Y90-Y116 HydrophobicContact CE2-CG 4.42Å; Y90-Y116 AromaticContact CZ-CD2 3.6Å; Y90-A126 WeakPolarHBondContact CA-O 3.09Å | ||
| 91 | L | 94.3 | Very high | 91 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 129.5 | 175.5 | 173.8 | 55.5 | 0 | 0 | 0 | 110.9 | L62 I87 I93 L103 L106 I109 A126 L127 I128 | L62-L91 HydrophobicContact CB-CD1 3.97Å; L62-L91 HydrophobicContact CD2-CD1 3.9Å; L62-L91 HydrophobicContact CG-CD1 3.84Å; L62-L91 CarbonylContact O-C 3.54Å; L62-L91 WeakPolarHBondContact O-CA 3.2Å; I87-L91 HydrophobicContact CD1-CB 4.13Å; I87-L91 HydrophobicContact CD1-CD1 4.43Å; I87-L91 HydrophobicContact CD1-CD2 4.27Å; L91-I93 HydrophobicContact CD1-CD1 4.45Å; L91-I93 HydrophobicContact CD1-CG1 4.05Å; L91-I93 HydrophobicContact CG-CG1 4.31Å; L91-L103 HydrophobicContact CD1-CD1 4.35Å; L91-L103 HydrophobicContact CD2-CD1 3.79Å; L91-L106 HydrophobicContact CD2-CD2 3.98Å; L91-I109 HydrophobicContact CB-CD1 4.12Å; L91-I109 HydrophobicContact CD2-CD1 4.16Å; L91-A126 PolarHBondContact N-O 2.87Å; L91-L127 HydrophobicContact CB-CD1 3.99Å; L91-L127 HydrophobicContact CD2-CD1 3.78Å; L91-L127 HydrophobicContact CG-CD1 3.67Å; L91-L127 CarbonylContact O-C 3.44Å; L91-L127 VanDerWaalsContact O-CA 3.28Å; L91-L127 WeakPolarHBondContact O-CA 3.47Å; L91-I128 PolarHBondContact O-N 3.34Å |
| 92 | I | 92.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 133.5 | 175 | -59.8 | -178.9 | 0 | 0 | 0 | 108.9 | I35 L62 I63 L64 Y90 M94 Y116 I128 | I35-I92 HydrophobicContact CD1-CD1 4.24Å; I35-I92 HydrophobicContact CG1-CD1 4.14Å; L62-I92 PolarHBondContact O-N 2.97Å; I63-I92 HydrophobicContact CD1-CD1 4.31Å; I63-I92 HydrophobicContact CG1-CB 4.21Å; I63-I92 HydrophobicContact CG1-CD1 4.3Å; I63-I92 HydrophobicContact CG2-CB 4.34Å; I63-I92 HydrophobicContact CG2-CG2 4.39Å; L64-I92 PolarHBondContact N-O 2.96Å; Y90-I92 HydrophobicContact CD2-CD1 3.89Å; Y90-I92 HydrophobicContact CD2-CG1 3.85Å; Y90-I92 HydrophobicContact CE2-CD1 3.63Å; Y90-I92 HydrophobicContact CE2-CG1 4.08Å; I92-M94 HydrophobicContact CG2-CE 3.76Å; I92-M94 HydrophobicContact CG2-CG 4.18Å; I92-M94 HydrophobicContact CG2-SD 4.48Å; I92-Y116 HydrophobicContact CD1-CD1 4.45Å; I92-Y116 HydrophobicContact CD1-CD2 4.05Å; I92-Y116 HydrophobicContact CD1-CE2 4.44Å; I92-Y116 HydrophobicContact CD1-CG 4.04Å; I92-I128 CarbonylContact C-O 3.6Å; I92-I128 WeakPolarHBondContact CA-O 3.03Å; I92-I128 HydrophobicContact CD1-CD1 4.12Å; I92-I128 HydrophobicContact CG1-CB 4.21Å; I92-I128 HydrophobicContact CG1-CD1 4.14Å; I92-I128 HydrophobicContact CG1-CG1 4.34Å; I92-I128 HydrophobicContact CG2-CB 4.39Å |
| 93 | I | 92.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 7% | 0.068 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 113.5 | 176.6 | -53.7 | -177.1 | 0 | 0 | 0 | 108.9 | L64 L91 I101 L103 I128 I129 R130 N132 L139 V142 | L64-I93 HydrophobicContact CB-CG1 4.36Å; L64-I93 HydrophobicContact CD1-CD1 4.43Å; L64-I93 HydrophobicContact CD1-CG1 4.28Å; L64-I93 CarbonylContact O-C 3.52Å; L64-I93 WeakPolarHBondContact O-CA 3.33Å; L91-I93 HydrophobicContact CD1-CD1 4.45Å; L91-I93 HydrophobicContact CD1-CG1 4.05Å; L91-I93 HydrophobicContact CG-CG1 4.31Å; I93-I101 HydrophobicContact CG2-CD1 3.51Å; I93-L103 HydrophobicContact CD1-CD1 4.39Å; I93-I128 PolarHBondContact N-O 2.64Å; I93-I129 HydrophobicContact CB-CG1 4.26Å; I93-I129 HydrophobicContact CB-CG2 4.27Å; I93-I129 HydrophobicContact CD1-CD1 4.35Å; I93-I129 HydrophobicContact CD1-CG1 4.42Å; I93-I129 HydrophobicContact CG2-CG2 4.47Å; I93-I129 VanDerWaalsContact O-CA 3.3Å; I93-I129 WeakPolarHBondContact O-CA 2.94Å; I93-R130 PolarHBondContact O-N 2.82Å; I93-N132 PolarHBondContact O-ND2 3.02Å; I93-L139 HydrophobicContact CG2-CD2 4.1Å; I93-V142 HydrophobicContact CD1-CG1 3.67Å; I93-V142 HydrophobicContact CD1-CG2 4.27Å |
| 94 | M | 89.4 | Confident | 91.3 | Very high | 14 Ų | 14 | 12 Ų | 12 | 7% | 0.069 | 6% | 0.064 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 167.1 | -178.7 | 58.3 | 167.8 | 57.5 | 0 | 0 | 115.2 | I35 L64 T65 I92 S96 R130 N132 | I35-M94 HydrophobicContact CD1-CE 3.79Å; I35-M94 HydrophobicContact CG1-CE 4.32Å; I35-M94 HydrophobicContact CG2-CE 4.1Å; I35-M94 HydrophobicContact CG2-SD 3.51Å; I35-M94 VanDerWaalsContact CG2-SD 3.51Å; L64-M94 PolarHBondContact O-N 3Å; T65-M94 WeakPolarHBondContact CA-O 3.42Å; I92-M94 HydrophobicContact CG2-CE 3.76Å; I92-M94 HydrophobicContact CG2-CG 4.18Å; I92-M94 HydrophobicContact CG2-SD 4.48Å; M94-S96 PolarHBondContact O-N 3.48Å; M94-S96 PolarHBondContact O-OG 2.96Å; M94-R130 WeakPolarHBondContact CA-O 3.36Å; M94-R130 WeakPolarHBondContact CB-O 3.29Å; M94-N132 WeakPolarHBondContact CA-OD1 3.47Å; M94-N132 PolarHBondContact N-OD1 3.47Å; M94-N132 PolarHBondContact O-OD1 2.73Å |
| 95 | H | 86.9 | Confident | 91.4 | Very high | 39 Ų | 39 | 15 Ų | 15 | 18% | 0.181 | 8% | 0.08 | C | C | . | . | S | Bend | trans | 50.1 | 36.3 | 169.6 | -59.4 | 131.9 | 0 | 0 | 0 | 114.3 | G66 Y68 K131 N132 E208 | G66-H95 PolarHBondContact N-O 2.82Å; Y68-H95 WeakPolarHBondContact CE1-O 3.43Å; Y68-H95 VanDerWaalsContact CZ-O 3.23Å; Y68-H95 PolarHBondContact OH-O 3.48Å; Y68-H95 VanDerWaalsContact OH-O 3.05Å; H95-K131 WeakPolarHBondContact CA-O 3.34Å; H95-K131 PolarHBondContact N-O 2.03Å; H95-K131 VanDerWaalsContact N-O 3.1Å; H95-K131 WeakPolarHBondContact NE2-CD 3.44Å; H95-N132 PolarHBondContact N-OD1 3.34Å; H95-E208 IonicContact CE1-OE2 3.55Å |
| 96 | S | 88.7 | Confident | 91.5 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 7% | 0.074 | C | C | . | . | trans | -128.1 | 139.3 | -172 | -61.8 | 0 | 0 | 0 | 0 | 111.6 | L67 M94 N132 Y133 | L67-S96 WeakPolarHBondContact CB-OG 3.43Å; L67-S96 PolarHBondContact N-OG 2.93Å; L67-S96 CarbonylContact O-C 3.52Å; L67-S96 WeakPolarHBondContact O-CA 3.37Å; L67-S96 VanDerWaalsContact O-CB 3.28Å; L67-S96 WeakPolarHBondContact O-CB 3.48Å; M94-S96 PolarHBondContact O-N 3.48Å; M94-S96 PolarHBondContact O-OG 2.96Å; S96-N132 WeakPolarHBondContact CB-OD1 3.45Å; S96-N132 PolarHBondContact N-OD1 3.39Å; S96-N132 CarbonylContact O-C 3.59Å; S96-N132 WeakPolarHBondContact O-CA 3.09Å; S96-N132 WeakPolarHBondContact O-CB 3.07Å; S96-Y133 PolarHBondContact O-N 2.86Å | ||
| 97 | N | 90.3 | Very high | 91.6 | Very high | 7 Ų | 7 | 16.7 Ų | 16.7 | 4% | 0.037 | 9% | 0.085 | C | C | . | . | trans | -121.1 | 10.1 | -177 | 81.1 | -13.1 | 0 | 0 | 0 | 115.3 | L67 Y68 R69 K134 E137 | L67-N97 PolarHBondContact O-N 2.99Å; Y68-N97 VanDerWaalsContact CA-OD1 3.27Å; Y68-N97 WeakPolarHBondContact CA-OD1 3.19Å; R69-N97 WeakPolarHBondContact CD-O 3.07Å; R69-N97 PolarHBondContact N-OD1 2.02Å; N97-K134 HydrophobicContact CB-CB 4.05Å; N97-K134 PolarHBondContact ND2-O 2.85Å; N97-E137 HydrophobicContact CB-CB 4.18Å | ||
| 98 | V | 91.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 9% | 0.085 | C | C | . | . | trans | -56.4 | 147.7 | 169.4 | -62.4 | 0 | 0 | 0 | 0 | 112.3 | L67 R69 P76 L78 I101 L139 | L67-V98 HydrophobicContact CB-CG1 4.13Å; L67-V98 HydrophobicContact CB-CG2 4.35Å; R69-V98 HydrophobicContact CG-CG1 4.27Å; P76-V98 HydrophobicContact CG-CG1 3.8Å; L78-V98 HydrophobicContact CD1-CB 4.43Å; L78-V98 HydrophobicContact CD1-CG1 4.38Å; L78-V98 HydrophobicContact CD1-CG2 4.03Å; V98-I101 HydrophobicContact CG2-CD1 4.22Å; V98-I101 HydrophobicContact CG2-CG1 3.73Å; V98-L139 HydrophobicContact CG2-CD1 4.15Å; V98-L139 WeakPolarHBondContact O-CA 3.45Å; V98-L139 WeakPolarHBondContact O-CD1 3.39Å | ||
| 99 | N | 90.9 | Very high | 91.8 | Very high | 42 Ų | 42 | 16.1 Ų | 16.1 | 23% | 0.225 | 8% | 0.081 | C | C | . | . | S | Bend | trans | -67.8 | -41 | -179.6 | -68.9 | -91.2 | 0 | 0 | 0 | 112.2 | R69 D75 K140 H141 | R69-N99 PolarHBondContact NE-ND2 3.01Å; R69-N99 VanDerWaalsContact NE-ND2 3.12Å; R69-N99 PolarHBondContact NH1-ND2 3.01Å; D75-N99 VanDerWaalsContact CG-N 3.34Å; D75-N99 PolarHBondContact OD1-N 2.8Å; D75-N99 VanDerWaalsContact OD1-N 3.08Å; D75-N99 PolarHBondContact OD1-ND2 3.44Å; D75-N99 WeakPolarHBondContact OD2-CB 3.05Å; D75-N99 PolarHBondContact OD2-N 3.42Å; N99-K140 PolarHBondContact O-N 3.2Å; N99-K140 WeakPolarHBondContact OD1-CD 3.39Å; N99-K140 WeakPolarHBondContact OD1-CE 3.08Å; N99-K140 PolarHBondContact OD1-NZ 2.87Å; N99-H141 PolarHBondContact O-N 2.9Å; N99-H141 VanDerWaalsContact O-N 3.1Å |
| 100 | N | 92.1 | Very high | 92 | Very high | 64 Ų | 64 | 16.6 Ų | 16.6 | 34% | 0.342 | 8% | 0.082 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 132 | -173.5 | -173.1 | 13.9 | 0 | 0 | 0 | 113.5 | D75 H141 | D75-N100 PolarHBondContact OD2-N 3.44Å; N100-H141 WeakPolarHBondContact CA-O 2.99Å; N100-H141 PolarHBondContact OD1-CD2 2.81Å; N100-H141 PolarHBondContact OD1-O 3.45Å |
| 101 | I | 93.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 108.2 | 170.4 | -64.8 | 174.5 | 0 | 0 | 0 | 109.1 | L64 L67 L78 L81 I93 V98 L103 L139 H141 V142 D143 | L64-I101 HydrophobicContact CD1-CG2 3.67Å; L67-I101 HydrophobicContact CD1-CD1 4.4Å; L78-I101 HydrophobicContact CD1-CG1 4.28Å; L81-I101 HydrophobicContact CD1-CG2 3.96Å; I93-I101 HydrophobicContact CG2-CD1 3.51Å; V98-I101 HydrophobicContact CG2-CD1 4.22Å; V98-I101 HydrophobicContact CG2-CG1 3.73Å; I101-L103 HydrophobicContact CG2-CD1 4.22Å; I101-L103 HydrophobicContact CG2-CG 4.23Å; I101-L103 PolarHBondContact O-N 3.04Å; I101-L103 VanDerWaalsContact O-N 3.14Å; I101-L139 HydrophobicContact CD1-CD1 3.95Å; I101-L139 HydrophobicContact CD1-CD2 3.94Å; I101-L139 HydrophobicContact CG1-CD1 3.93Å; I101-H141 PolarHBondContact N-O 3.05Å; I101-H141 VanDerWaalsContact N-O 3.12Å; I101-V142 HydrophobicContact CB-CG1 4.16Å; I101-V142 HydrophobicContact CB-CG2 4.24Å; I101-V142 HydrophobicContact CD1-CG2 4.42Å; I101-V142 HydrophobicContact CG2-CG1 4.23Å; I101-D143 PolarHBondContact O-N 3.47Å |
| 102 | P | 93.4 | Very high | 91.1 | Very high | 12 Ų | 12 | 18.5 Ų | 18.5 | 8% | 0.078 | 9% | 0.093 | C | C | . | . | trans | -92.5 | 66.9 | -165.2 | 37.7 | -38.5 | 0 | 0 | 0 | 113.6 | L78 K82 S104 | L78-P102 HydrophobicContact CB-CG 4.13Å; L78-P102 WeakPolarHBondContact O-CG 3.46Å; K82-P102 WeakPolarHBondContact CA-O 3.5Å; K82-P102 HydrophobicContact CD-CB 4.45Å; K82-P102 HydrophobicContact CG-CB 3.89Å; K82-P102 HydrophobicContact CG-CG 4.16Å; K82-P102 VanDerWaalsContact CG-O 3.27Å; K82-P102 WeakPolarHBondContact CG-O 3.41Å; K82-P102 PolarHBondContact N-O 3.14Å; P102-S104 PolarHBondContact O-N 2.96Å | ||
| 103 | L | 94.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.127 | C | C | . | . | trans | -77.7 | 30.2 | 174.5 | -73.3 | 166.5 | 0 | 0 | 0 | 113.3 | L62 L64 L81 I84 L91 I93 I101 N105 L106 D143 L144 | L62-L103 HydrophobicContact CD2-CD2 4.17Å; L64-L103 HydrophobicContact CD1-CD1 4.32Å; L81-L103 HydrophobicContact CB-CD2 4.16Å; I84-L103 HydrophobicContact CB-CD2 4.5Å; I84-L103 HydrophobicContact CD1-CD2 3.84Å; L91-L103 HydrophobicContact CD1-CD1 4.35Å; L91-L103 HydrophobicContact CD2-CD1 3.79Å; I93-L103 HydrophobicContact CD1-CD1 4.39Å; I101-L103 HydrophobicContact CG2-CD1 4.22Å; I101-L103 HydrophobicContact CG2-CG 4.23Å; I101-L103 PolarHBondContact O-N 3.04Å; I101-L103 VanDerWaalsContact O-N 3.14Å; L103-N105 PolarHBondContact O-N 3.15Å; L103-L106 HydrophobicContact CB-CB 4.39Å; L103-L106 HydrophobicContact CD1-CD2 4.5Å; L103-L106 VanDerWaalsContact O-CB 3.3Å; L103-L106 WeakPolarHBondContact O-CB 3.38Å; L103-L106 PolarHBondContact O-N 3.35Å; L103-D143 CarbonylContact C-O 3.54Å; L103-D143 VanDerWaalsContact CA-O 3.26Å; L103-D143 WeakPolarHBondContact CA-O 3.48Å; L103-D143 WeakPolarHBondContact CB-O 3.43Å; L103-D143 PolarHBondContact N-O 2.93Å; L103-L144 HydrophobicContact CB-CD2 3.86Å; L103-L144 HydrophobicContact CD1-CD2 4.2Å | ||
| 104 | S | 91.4 | Very high | 89 | Confident | 13 Ų | 13 | 25.7 Ų | 25.7 | 9% | 0.091 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -47.3 | -28.1 | -168.8 | 57.3 | 0 | 0 | 0 | 0 | 117.4 | K82 P102 D143 H145 N146 | K82-S104 WeakPolarHBondContact CG-OG 3.38Å; P102-S104 PolarHBondContact O-N 2.96Å; S104-D143 WeakPolarHBondContact CA-OD2 3.45Å; S104-D143 WeakPolarHBondContact CB-OD2 3.28Å; S104-D143 PolarHBondContact N-O 2.76Å; S104-H145 PolarHBondContact O-CE1 3.38Å; S104-N146 WeakPolarHBondContact O-CB 3.45Å; S104-N146 PolarHBondContact O-ND2 2.92Å |
| 105 | N | 92.5 | Very high | 88.6 | Confident | 62 Ų | 62 | 25.7 Ų | 25.7 | 33% | 0.332 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | -2.2 | -178.8 | -77.3 | -46.3 | 0 | 0 | 0 | 114.4 | K82 I84 Q85 L103 R107 | K82-N105 WeakPolarHBondContact O-CB 3.36Å; K82-N105 PolarHBondContact O-ND2 3.25Å; I84-N105 CarbonylContact O-C 3.54Å; I84-N105 WeakPolarHBondContact O-CB 3.4Å; Q85-N105 WeakPolarHBondContact CA-O 3.16Å; Q85-N105 HydrophobicContact CG-CB 4.49Å; L103-N105 PolarHBondContact O-N 3.15Å; N105-R107 VanDerWaalsContact O-CG 3.29Å; N105-R107 WeakPolarHBondContact O-CG 3.33Å; N105-R107 PolarHBondContact O-N 3.06Å; N105-R107 VanDerWaalsContact O-N 3.15Å |
| 106 | L | 94.6 | Very high | 88.6 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.141 | C | C | . | . | trans | -66.1 | 112.8 | -176.9 | 177.4 | 59.2 | 0 | 0 | 0 | 110.2 | I84 I87 L91 L103 V108 I109 L144 N146 L147 | I84-L106 HydrophobicContact CG2-CD1 4.23Å; I84-L106 WeakPolarHBondContact O-CA 3.43Å; I84-L106 PolarHBondContact O-N 2.86Å; I87-L106 HydrophobicContact CD1-CD1 3.96Å; I87-L106 HydrophobicContact CD1-CD2 3.83Å; I87-L106 HydrophobicContact CG1-CD1 3.83Å; L91-L106 HydrophobicContact CD2-CD2 3.98Å; L103-L106 HydrophobicContact CB-CB 4.39Å; L103-L106 HydrophobicContact CD1-CD2 4.5Å; L103-L106 VanDerWaalsContact O-CB 3.3Å; L103-L106 WeakPolarHBondContact O-CB 3.38Å; L103-L106 PolarHBondContact O-N 3.35Å; L106-V108 WeakPolarHBondContact CD1-O 3.45Å; L106-I109 HydrophobicContact CD2-CD1 4.29Å; L106-I109 HydrophobicContact CD2-CG1 4.2Å; L106-L144 HydrophobicContact CD2-CD2 3.97Å; L106-N146 CarbonylContact O-C 3.53Å; L106-L147 HydrophobicContact CG-CD1 4.45Å; L106-L147 WeakPolarHBondContact O-CA 3.05Å; L106-L147 PolarHBondContact O-N 2.03Å | ||
| 107 | R | 92.6 | Very high | 88.3 | Confident | 64 Ų | 64 | 29.7 Ų | 29.7 | 24% | 0.242 | 16% | 0.156 | C | C | . | . | trans | -96.6 | -35 | -176 | -53.8 | -178.6 | -170.4 | 168.4 | 8.8 | 113 | E23 Q85 N105 N146 K148 S149 V289 | E23-R107 IonicContact OE2-NH2 2.71Å; Q85-R107 PolarHBondContact O-N 2.74Å; N105-R107 VanDerWaalsContact O-CG 3.29Å; N105-R107 WeakPolarHBondContact O-CG 3.33Å; N105-R107 PolarHBondContact O-N 3.06Å; N105-R107 VanDerWaalsContact O-N 3.15Å; R107-N146 WeakPolarHBondContact CA-O 3.48Å; R107-K148 PolarHBondContact O-N 3.19Å; R107-S149 PolarHBondContact O-N 3.4Å; R107-V289 HydrophobicContact CB-CG1 4.27Å; R107-V289 WeakPolarHBondContact CD-O 3.47Å; R107-V289 HydrophobicContact CG-CG1 4.31Å; R107-V289 PolarHBondContact NH1-O 3.05Å | ||
| 108 | V | 92.5 | Very high | 87.6 | Confident | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.006 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 136.3 | -170.5 | -177.4 | 0 | 0 | 0 | 0 | 112 | Q85 E86 I87 L106 R110 S149 V151 L277 S290 | Q85-V108 PolarHBondContact O-N 2.73Å; E86-V108 WeakPolarHBondContact CA-O 3.37Å; E86-V108 HydrophobicContact CG-CB 4.08Å; E86-V108 HydrophobicContact CG-CG1 4.4Å; I87-V108 PolarHBondContact N-O 3.05Å; L106-V108 WeakPolarHBondContact CD1-O 3.45Å; V108-R110 HydrophobicContact CG1-CG 3.71Å; V108-S149 WeakPolarHBondContact CA-O 3.49Å; V108-V151 HydrophobicContact CG1-CG2 3.96Å; V108-L277 HydrophobicContact CG1-CD2 3.76Å; V108-L277 HydrophobicContact CG2-CD2 4.03Å; V108-S290 VanDerWaalsContact CG2-CB 3.43Å |
| 109 | I | 94.1 | Very high | 86.5 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 120.7 | 162 | -57.6 | 171.7 | 0 | 0 | 0 | 107.2 | G89 L91 L106 A126 L147 S149 I150 V151 | G89-I109 WeakPolarHBondContact O-CG2 3.47Å; L91-I109 HydrophobicContact CB-CD1 4.12Å; L91-I109 HydrophobicContact CD2-CD1 4.16Å; L106-I109 HydrophobicContact CD2-CD1 4.29Å; L106-I109 HydrophobicContact CD2-CG1 4.2Å; I109-A126 HydrophobicContact CG2-CB 4.23Å; I109-L147 HydrophobicContact CD1-CD1 4.34Å; I109-L147 HydrophobicContact CG1-CD1 4.13Å; I109-S149 PolarHBondContact N-O 2.03Å; I109-S149 VanDerWaalsContact N-O 3.15Å; I109-I150 CarbonylContact O-C 3.44Å; I109-I150 VanDerWaalsContact O-CA 3.3Å; I109-I150 WeakPolarHBondContact O-CA 3.07Å; I109-V151 PolarHBondContact O-N 2.87Å |
| 110 | R | 91.7 | Very high | 85.3 | Confident | 13 Ų | 13 | 39.2 Ų | 39.2 | 5% | 0.049 | 20% | 0.204 | C | C | . | . | trans | -91.9 | -29.7 | -173.8 | -62.7 | -162.5 | -175.3 | -115.5 | -8.4 | 115.1 | E86 I87 V108 N112 V151 R152 C291 K292 N327 | E86-R110 IonicContact OE1-CZ 3.4Å; E86-R110 IonicContact OE1-NE 2.97Å; E86-R110 PolarHBondContact OE1-NE 2.88Å; E86-R110 IonicContact OE1-NH2 2.67Å; E86-R110 PolarHBondContact OE1-NH2 3.06Å; E86-R110 IonicContact OE2-CZ 3.57Å; E86-R110 IonicContact OE2-NE 3.9Å; E86-R110 PolarHBondContact OE2-NE 3.01Å; E86-R110 IonicContact OE2-NH2 3.32Å; E86-R110 PolarHBondContact OE2-NH2 3.02Å; I87-R110 PolarHBondContact O-N 3.05Å; V108-R110 HydrophobicContact CG1-CG 3.71Å; R110-N112 VanDerWaalsContact C-N 3.27Å; R110-N112 PolarHBondContact O-N 3.2Å; R110-V151 HydrophobicContact CB-CB 4.47Å; R110-V151 HydrophobicContact CB-CG2 4.33Å; R110-V151 HydrophobicContact CG-CG2 4Å; R110-R152 PolarHBondContact O-N 3.46Å; R110-C291 PolarHBondContact NH1-O 3.1Å; R110-C291 PolarHBondContact NH2-O 3.37Å; R110-K292 PolarHBondContact NH1-O 2.83Å; R110-N327 VanDerWaalsContact CD-ND2 3.34Å; R110-N327 WeakPolarHBondContact CD-ND2 3.41Å; R110-N327 PolarHBondContact NE-ND2 2.78Å | ||
| 111 | A | 89.5 | Confident | 84.3 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | trans | 45.7 | 51.6 | -171.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | S88 G89 N113 G114 A126 R152 | S88-A111 PolarHBondContact O-N 3Å; G89-A111 WeakPolarHBondContact O-CA 3.29Å; G89-A111 PolarHBondContact O-N 3.35Å; A111-N113 PolarHBondContact O-N 3.16Å; A111-G114 CarbonylContact O-C 3.59Å; A111-G114 WeakPolarHBondContact O-CA 3.48Å; A111-G114 PolarHBondContact O-N 2.04Å; A111-A126 HydrophobicContact CB-CB 4Å; A111-R152 HydrophobicContact CB-CB 4.17Å; A111-R152 WeakPolarHBondContact CB-O 3.47Å | ||
| 112 | N | 79 | Confident | 83.4 | Confident | 58 Ų | 58 | 43.2 Ų | 43.2 | 31% | 0.31 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | 134.4 | 168.9 | -73.2 | -10.3 | 0 | 0 | 0 | 108.7 | S88 R110 | S88-N112 WeakPolarHBondContact O-CB 3.28Å; S88-N112 PolarHBondContact O-N 3.43Å; R110-N112 VanDerWaalsContact C-N 3.27Å; R110-N112 PolarHBondContact O-N 3.2Å |
| 113 | N | 70 | Confident | 82.9 | Confident | 131 Ų | 131 | 45.2 Ų | 45.2 | 70% | 0.701 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 70.5 | 18.9 | -165.6 | -47.6 | -24.5 | 0 | 0 | 0 | 115.7 | A111 G115 | A111-N113 PolarHBondContact O-N 3.16Å; N113-G115 PolarHBondContact O-N 3.2Å |
| 114 | G | 69.1 | Low | 82.6 | Confident | 19 Ų | 19 | 49.7 Ų | 49.7 | 20% | 0.196 | 25% | 0.25 | C | S | . | . | S | Bend | trans | 99.7 | -41.7 | 167.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | A111 F124 G153 | A111-G114 CarbonylContact O-C 3.59Å; A111-G114 WeakPolarHBondContact O-CA 3.48Å; A111-G114 PolarHBondContact O-N 2.04Å; G114-F124 WeakPolarHBondContact O-CB 3.47Å; G114-G153 WeakPolarHBondContact O-CA 3.28Å |
| 115 | G | 82.3 | Confident | 82.5 | Confident | 14 Ų | 14 | 49.1 Ų | 49.1 | 14% | 0.144 | 25% | 0.246 | C | C | . | . | trans | 135.1 | -162.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | N113 A125 | N113-G115 PolarHBondContact O-N 3.2Å; G115-A125 CarbonylContact C-O 3.59Å; G115-A125 WeakPolarHBondContact CA-O 3.38Å | ||
| 116 | Y | 86 | Confident | 82.6 | Confident | 54 Ų | 54 | 46.1 Ų | 46.1 | 21% | 0.212 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 119.8 | 173.5 | -174.3 | -91.1 | 0 | 0 | 0 | 110.7 | I35 Y90 I92 I118 A125 I128 | I35-Y116 HydrophobicContact CD1-CE1 4.08Å; I35-Y116 HydrophobicContact CD1-CE2 4.37Å; I35-Y116 WeakPolarHBondContact CD1-OH 3.32Å; I35-Y116 HydrophobicContact CG1-CE2 4.5Å; Y90-Y116 HydrophobicContact CE1-CD2 4.06Å; Y90-Y116 HydrophobicContact CE1-CG 4.48Å; Y90-Y116 AromaticContact CE2-CD2 3.96Å; Y90-Y116 HydrophobicContact CE2-CD2 3.96Å; Y90-Y116 HydrophobicContact CE2-CG 4.42Å; Y90-Y116 AromaticContact CZ-CD2 3.6Å; I92-Y116 HydrophobicContact CD1-CD1 4.45Å; I92-Y116 HydrophobicContact CD1-CD2 4.05Å; I92-Y116 HydrophobicContact CD1-CE2 4.44Å; I92-Y116 HydrophobicContact CD1-CG 4.04Å; Y116-I118 HydrophobicContact CD1-CG1 3.96Å; Y116-I118 HydrophobicContact CE1-CG1 4.34Å; Y116-I118 PolarHBondContact O-N 3.45Å; Y116-A125 PolarHBondContact N-O 2.84Å; Y116-A125 WeakPolarHBondContact O-CB 3.45Å; Y116-A125 PolarHBondContact O-N 2.76Å; Y116-I128 HydrophobicContact CD1-CD1 3.64Å; Y116-I128 HydrophobicContact CE1-CD1 4.38Å; Y116-I128 HydrophobicContact CG-CD1 4.23Å |
| 117 | K | 82.7 | Confident | 82.6 | Confident | 70 Ų | 70 | 46.1 Ų | 46.1 | 30% | 0.304 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 111.4 | 175.7 | -167.7 | 64.2 | 161.4 | 157.8 | 0 | 109.4 | H119 D120 L122 F124 | K117-H119 WeakPolarHBondContact CD-O 3.49Å; K117-H119 VanDerWaalsContact CE-O 3.27Å; K117-H119 WeakPolarHBondContact CE-O 3.24Å; K117-H119 PolarHBondContact NZ-O 3.4Å; K117-D120 PolarHBondContact NZ-O 2.96Å; K117-L122 PolarHBondContact NZ-O 3.04Å; K117-F124 HydrophobicContact CB-CD1 3.9Å; K117-F124 HydrophobicContact CB-CE1 3.8Å; K117-F124 HydrophobicContact CD-CD1 4.12Å; K117-F124 HydrophobicContact CD-CD2 4.29Å; K117-F124 HydrophobicContact CD-CE1 3.99Å; K117-F124 HydrophobicContact CD-CE2 4.15Å; K117-F124 HydrophobicContact CD-CG 4.27Å; K117-F124 HydrophobicContact CD-CZ 4Å; K117-F124 HydrophobicContact CG-CE1 4.24Å |
| 118 | I | 75.4 | Confident | 82.6 | Confident | 35 Ų | 35 | 43.4 Ų | 43.4 | 18% | 0.179 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -77.9 | -42.7 | -179.5 | -59.4 | 175 | 0 | 0 | 0 | 111.1 | Y116 L122 A125 I128 Y156 | Y116-I118 HydrophobicContact CD1-CG1 3.96Å; Y116-I118 HydrophobicContact CE1-CG1 4.34Å; Y116-I118 PolarHBondContact O-N 3.45Å; I118-L122 HydrophobicContact CB-CD1 3.84Å; I118-L122 HydrophobicContact CG2-CD1 3.79Å; I118-A125 HydrophobicContact CD1-CB 4Å; I118-A125 HydrophobicContact CG1-CB 4.22Å; I118-I128 HydrophobicContact CD1-CD1 3.72Å; I118-I128 HydrophobicContact CD1-CG1 4.14Å; I118-I128 HydrophobicContact CG1-CD1 3.72Å; I118-Y156 HydrophobicContact CD1-CD1 3.81Å; I118-Y156 HydrophobicContact CD1-CD2 3.71Å; I118-Y156 HydrophobicContact CD1-CE1 4.05Å; I118-Y156 HydrophobicContact CD1-CE2 3.94Å; I118-Y156 HydrophobicContact CD1-CG 3.65Å |
| 119 | H | 68.3 | Low | 82.6 | Confident | 77 Ų | 77 | 43.3 Ų | 43.3 | 36% | 0.356 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -154.4 | 158.4 | 178.7 | -169.7 | -118 | 0 | 0 | 0 | 108.2 | K117 E121 L122 I202 | K117-H119 WeakPolarHBondContact CD-O 3.49Å; K117-H119 VanDerWaalsContact CE-O 3.27Å; K117-H119 WeakPolarHBondContact CE-O 3.24Å; K117-H119 PolarHBondContact NZ-O 3.4Å; H119-E121 IonicContact CE1-OE2 3.89Å; H119-E121 IonicContact ND1-OE2 2.68Å; H119-E121 PolarHBondContact O-N 3.5Å; H119-L122 HydrophobicContact CB-CB 4.44Å; H119-L122 HydrophobicContact CB-CD1 4.16Å; H119-L122 HydrophobicContact CB-CG 4.19Å; H119-L122 PolarHBondContact O-N 3.37Å; H119-L122 VanDerWaalsContact O-N 3.09Å; H119-I202 HydrophobicContact CB-CD1 4.2Å |
| 120 | D | 65.9 | Low | 82.4 | Confident | 137 Ų | 137 | 45.4 Ų | 45.4 | 73% | 0.733 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63 | -30 | -177.6 | -73.3 | -36.6 | 0 | 0 | 0 | 113.6 | K117 | K117-D120 PolarHBondContact NZ-O 2.96Š|
| 121 | E | 71 | Confident | 82.2 | Confident | 128 Ų | 128 | 47.2 Ų | 47.2 | 60% | 0.598 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -11.1 | 176.8 | -57.6 | -179.5 | 147.1 | 0 | 0 | 114.7 | H119 | H119-E121 IonicContact CE1-OE2 3.89Å; H119-E121 IonicContact ND1-OE2 2.68Å; H119-E121 PolarHBondContact O-N 3.5Å |
| 122 | L | 75.9 | Confident | 82.2 | Confident | 20 Ų | 20 | 47.2 Ų | 47.2 | 11% | 0.105 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -99.5 | 150.3 | -178.9 | -70.6 | 179.9 | 0 | 0 | 0 | 112.3 | K117 I118 H119 Y156 I202 | K117-L122 PolarHBondContact NZ-O 3.04Å; I118-L122 HydrophobicContact CB-CD1 3.84Å; I118-L122 HydrophobicContact CG2-CD1 3.79Å; H119-L122 HydrophobicContact CB-CB 4.44Å; H119-L122 HydrophobicContact CB-CD1 4.16Å; H119-L122 HydrophobicContact CB-CG 4.19Å; H119-L122 PolarHBondContact O-N 3.37Å; H119-L122 VanDerWaalsContact O-N 3.09Å; L122-Y156 HydrophobicContact CD1-CE1 4.12Å; L122-Y156 HydrophobicContact CD2-CE1 4.25Å; L122-I202 HydrophobicContact CD1-CD1 3.71Å; L122-I202 HydrophobicContact CD2-CD1 3.72Å; L122-I202 HydrophobicContact CG-CD1 3.47Å; L122-I202 VanDerWaalsContact CG-CD1 3.47Å |
| 123 | D | 82.8 | Confident | 82.7 | Confident | 53 Ų | 53 | 47.7 Ų | 47.7 | 28% | 0.283 | 23% | 0.234 | S | C | . | . | P | Polyproline II helix | trans | -54.3 | 156.5 | 167.6 | -60.9 | -19.7 | 0 | 0 | 0 | 111.8 | A125 S154 Y156 N183 Y185 | D123-A125 PolarHBondContact O-N 2.71Å; D123-S154 WeakPolarHBondContact CB-OG 3.48Å; D123-S154 PolarHBondContact OD2-OG 3.06Å; D123-Y156 PolarHBondContact N-OH 3.04Å; D123-Y156 PolarHBondContact O-OH 3.08Å; D123-N183 PolarHBondContact OD2-ND2 2.97Å; D123-Y185 PolarHBondContact OD2-OH 2.93Å |
| 124 | F | 88.1 | Confident | 83.3 | Confident | 95 Ų | 95 | 45.2 Ų | 45.2 | 42% | 0.417 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 131.4 | 167 | -70.2 | -94.9 | 0 | 0 | 0 | 110 | G114 K117 G153 S154 | G114-F124 WeakPolarHBondContact O-CB 3.47Å; K117-F124 HydrophobicContact CB-CD1 3.9Å; K117-F124 HydrophobicContact CB-CE1 3.8Å; K117-F124 HydrophobicContact CD-CD1 4.12Å; K117-F124 HydrophobicContact CD-CD2 4.29Å; K117-F124 HydrophobicContact CD-CE1 3.99Å; K117-F124 HydrophobicContact CD-CE2 4.15Å; K117-F124 HydrophobicContact CD-CG 4.27Å; K117-F124 HydrophobicContact CD-CZ 4Å; K117-F124 HydrophobicContact CG-CE1 4.24Å; F124-G153 CarbonylContact O-C 3.59Å; F124-G153 WeakPolarHBondContact O-CA 3.41Å; F124-S154 PolarHBondContact O-N 3.3Å |
| 125 | A | 89 | Confident | 83.9 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 128.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | G115 Y116 I118 D123 I128 S154 Y156 | G115-A125 CarbonylContact C-O 3.59Å; G115-A125 WeakPolarHBondContact CA-O 3.38Å; Y116-A125 PolarHBondContact N-O 2.84Å; Y116-A125 WeakPolarHBondContact O-CB 3.45Å; Y116-A125 PolarHBondContact O-N 2.76Å; I118-A125 HydrophobicContact CD1-CB 4Å; I118-A125 HydrophobicContact CG1-CB 4.22Å; D123-A125 PolarHBondContact O-N 2.71Å; A125-I128 HydrophobicContact CB-CD1 3.82Å; A125-I128 HydrophobicContact CB-CG1 3.61Å; A125-S154 CarbonylContact C-O 3.58Å; A125-S154 WeakPolarHBondContact CA-O 3.44Å; A125-Y156 HydrophobicContact CB-CD2 3.51Å; A125-Y156 HydrophobicContact CB-CE2 3.63Å |
| 126 | A | 93.5 | Very high | 83.8 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | -31.4 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y90 L91 I109 A111 I150 R152 S154 | Y90-A126 WeakPolarHBondContact CA-O 3.09Å; L91-A126 PolarHBondContact N-O 2.87Å; I109-A126 HydrophobicContact CG2-CB 4.23Å; A111-A126 HydrophobicContact CB-CB 4Å; A126-I150 HydrophobicContact CB-CG2 3.48Å; A126-I150 VanDerWaalsContact CB-CG2 3.48Å; A126-R152 VanDerWaalsContact CB-O 3.27Å; A126-R152 WeakPolarHBondContact CB-O 3.08Å; A126-S154 PolarHBondContact N-O 2.04Å |
| 127 | L | 94.9 | Very high | 83.8 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 126.7 | 178.5 | 174.1 | 59 | 0 | 0 | 0 | 110.2 | L91 I129 L144 V155 Y156 W172 | L91-L127 HydrophobicContact CB-CD1 3.99Å; L91-L127 HydrophobicContact CD2-CD1 3.78Å; L91-L127 HydrophobicContact CG-CD1 3.67Å; L91-L127 CarbonylContact O-C 3.44Å; L91-L127 VanDerWaalsContact O-CA 3.28Å; L91-L127 WeakPolarHBondContact O-CA 3.47Å; L127-I129 HydrophobicContact CD1-CD1 4.24Å; L127-I129 HydrophobicContact CD1-CG1 3.93Å; L127-I129 HydrophobicContact CG-CG1 4.29Å; L127-L144 HydrophobicContact CD2-CD1 4.31Å; L127-V155 HydrophobicContact CB-CG1 4.11Å; L127-V155 HydrophobicContact CB-CG2 4.15Å; L127-V155 HydrophobicContact CD2-CG1 3.95Å; L127-V155 HydrophobicContact CG-CG1 4.14Å; L127-V155 WeakPolarHBondContact O-CA 3.24Å; L127-Y156 PolarHBondContact O-N 2.78Å; L127-W172 HydrophobicContact CD2-CH2 4.04Å; L127-W172 HydrophobicContact CD2-CZ3 4.14Å |
| 128 | I | 92.6 | Very high | 84.2 | Confident | 6 Ų | 6 | 51.9 Ų | 51.9 | 3% | 0.031 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 129.6 | 172.5 | -52.4 | 177.7 | 0 | 0 | 0 | 109.2 | L91 I92 I93 Y116 I118 A125 Y156 Y158 | L91-I128 PolarHBondContact O-N 3.34Å; I92-I128 CarbonylContact C-O 3.6Å; I92-I128 WeakPolarHBondContact CA-O 3.03Å; I92-I128 HydrophobicContact CD1-CD1 4.12Å; I92-I128 HydrophobicContact CG1-CB 4.21Å; I92-I128 HydrophobicContact CG1-CD1 4.14Å; I92-I128 HydrophobicContact CG1-CG1 4.34Å; I92-I128 HydrophobicContact CG2-CB 4.39Å; I93-I128 PolarHBondContact N-O 2.64Å; Y116-I128 HydrophobicContact CD1-CD1 3.64Å; Y116-I128 HydrophobicContact CE1-CD1 4.38Å; Y116-I128 HydrophobicContact CG-CD1 4.23Å; I118-I128 HydrophobicContact CD1-CD1 3.72Å; I118-I128 HydrophobicContact CD1-CG1 4.14Å; I118-I128 HydrophobicContact CG1-CD1 3.72Å; A125-I128 HydrophobicContact CB-CD1 3.82Å; A125-I128 HydrophobicContact CB-CG1 3.61Å; I128-Y156 CarbonylContact C-O 3.46Å; I128-Y156 WeakPolarHBondContact CA-O 3.13Å; I128-Y158 HydrophobicContact CG2-CE1 4.44Å |
| 129 | I | 93 | Very high | 85 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 112.9 | 170.7 | -49.6 | -176.3 | 0 | 0 | 0 | 108.6 | I93 L127 N132 Y156 I157 Y158 N160 L163 L166 | I93-I129 HydrophobicContact CB-CG1 4.26Å; I93-I129 HydrophobicContact CB-CG2 4.27Å; I93-I129 HydrophobicContact CD1-CD1 4.35Å; I93-I129 HydrophobicContact CD1-CG1 4.42Å; I93-I129 HydrophobicContact CG2-CG2 4.47Å; I93-I129 VanDerWaalsContact O-CA 3.3Å; I93-I129 WeakPolarHBondContact O-CA 2.94Å; L127-I129 HydrophobicContact CD1-CD1 4.24Å; L127-I129 HydrophobicContact CD1-CG1 3.93Å; L127-I129 HydrophobicContact CG-CG1 4.29Å; I129-N132 WeakPolarHBondContact CG2-ND2 3.24Å; I129-Y156 PolarHBondContact N-O 3.19Å; I129-I157 HydrophobicContact CB-CG1 4.19Å; I129-I157 HydrophobicContact CB-CG2 4.31Å; I129-I157 HydrophobicContact CD1-CD1 4.04Å; I129-I157 HydrophobicContact CD1-CG1 4.19Å; I129-I157 HydrophobicContact CG1-CG1 4.19Å; I129-Y158 PolarHBondContact O-N 3.24Å; I129-Y158 VanDerWaalsContact O-N 3.16Å; I129-Y158 VanDerWaalsContact O-O 3.09Å; I129-N160 PolarHBondContact O-ND2 3.01Å; I129-L163 HydrophobicContact CG2-CD2 4.06Å; I129-L166 HydrophobicContact CD1-CD1 4.05Å |
| 130 | R | 89.6 | Confident | 86 | Confident | 43 Ų | 43 | 50.5 Ų | 50.5 | 16% | 0.162 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 146.8 | -174.9 | -161.9 | -150.8 | 171.5 | 164.3 | -0.7 | 114.5 | I93 M94 N132 Y158 D159 N160 L204 | I93-R130 PolarHBondContact O-N 2.82Å; M94-R130 WeakPolarHBondContact CA-O 3.36Å; M94-R130 WeakPolarHBondContact CB-O 3.29Å; R130-N132 VanDerWaalsContact C-N 3.33Å; R130-N132 PolarHBondContact N-ND2 2.87Å; R130-N132 PolarHBondContact O-N 2.98Å; R130-N132 PolarHBondContact O-ND2 2.97Å; R130-Y158 VanDerWaalsContact CA-O 3.3Å; R130-Y158 WeakPolarHBondContact CA-O 3.41Å; R130-Y158 HydrophobicContact CB-CD1 4.37Å; R130-Y158 HydrophobicContact CB-CE1 4.08Å; R130-Y158 HydrophobicContact CG-CD1 4.2Å; R130-Y158 HydrophobicContact CG-CD2 3.97Å; R130-Y158 HydrophobicContact CG-CE1 3.95Å; R130-Y158 HydrophobicContact CG-CE2 3.75Å; R130-Y158 HydrophobicContact CG-CG 4.21Å; R130-D159 HydrophobicContact CG-CB 3.74Å; R130-D159 IonicContact CZ-OD2 3.61Å; R130-D159 IonicContact NE-OD2 2.81Å; R130-D159 PolarHBondContact NE-OD2 2.88Å; R130-D159 IonicContact NH2-OD2 3.4Å; R130-D159 PolarHBondContact NH2-OD2 3.4Å; R130-N160 WeakPolarHBondContact CA-OD1 3.49Å; R130-N160 PolarHBondContact N-OD1 2.92Å; R130-L204 PolarHBondContact NH1-O 3.43Å; R130-L204 PolarHBondContact NH2-O 2.83Å |
| 131 | K | 87.2 | Confident | 87.2 | Confident | 52 Ų | 52 | 46.3 Ų | 46.3 | 23% | 0.226 | 23% | 0.233 | C | C | . | . | trans | 57.1 | 37.8 | 174.2 | -70.8 | -175.1 | 171.2 | -174.5 | 0 | 113.7 | H95 Y133 D159 N160 E208 | H95-K131 WeakPolarHBondContact CA-O 3.34Å; H95-K131 PolarHBondContact N-O 2.03Å; H95-K131 VanDerWaalsContact N-O 3.1Å; H95-K131 WeakPolarHBondContact NE2-CD 3.44Å; K131-Y133 VanDerWaalsContact C-N 3.33Å; K131-Y133 HydrophobicContact CB-CE1 4.46Å; K131-Y133 PolarHBondContact O-N 3.01Å; K131-Y133 VanDerWaalsContact O-N 3.11Å; K131-D159 VanDerWaalsContact CA-O 3.23Å; K131-D159 WeakPolarHBondContact CA-O 3.38Å; K131-D159 WeakPolarHBondContact CG-OD2 3.46Å; K131-D159 PolarHBondContact N-O 3.41Å; K131-N160 PolarHBondContact N-OD1 2.91Å; K131-E208 IonicContact NZ-OE2 2.99Å | ||
| 132 | N | 90.5 | Very high | 88.2 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.205 | C | C | . | . | trans | -89 | 68.4 | -178.2 | -67.4 | -73.4 | 0 | 0 | 0 | 113 | I93 M94 H95 S96 I129 R130 L139 N160 | I93-N132 PolarHBondContact O-ND2 3.02Å; M94-N132 WeakPolarHBondContact CA-OD1 3.47Å; M94-N132 PolarHBondContact N-OD1 3.47Å; M94-N132 PolarHBondContact O-OD1 2.73Å; H95-N132 PolarHBondContact N-OD1 3.34Å; S96-N132 WeakPolarHBondContact CB-OD1 3.45Å; S96-N132 PolarHBondContact N-OD1 3.39Å; S96-N132 CarbonylContact O-C 3.59Å; S96-N132 WeakPolarHBondContact O-CA 3.09Å; S96-N132 WeakPolarHBondContact O-CB 3.07Å; I129-N132 WeakPolarHBondContact CG2-ND2 3.24Å; R130-N132 VanDerWaalsContact C-N 3.33Å; R130-N132 PolarHBondContact N-ND2 2.87Å; R130-N132 PolarHBondContact O-N 2.98Å; R130-N132 PolarHBondContact O-ND2 2.97Å; N132-L139 HydrophobicContact CB-CB 3.58Å; N132-L139 HydrophobicContact CB-CD2 3.54Å; N132-L139 HydrophobicContact CB-CG 4.22Å; N132-L139 PolarHBondContact O-N 2.94Å; N132-N160 WeakPolarHBondContact CB-OD1 3.24Å; N132-N160 PolarHBondContact N-OD1 2.03Å; N132-N160 PolarHBondContact ND2-OD1 2.95Å | ||
| 133 | Y | 88.2 | Confident | 89 | Confident | 67 Ų | 67 | 40.5 Ų | 40.5 | 26% | 0.263 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 154.1 | 175.1 | 56.4 | -87.8 | 0 | 0 | 0 | 111 | S96 K131 E137 D159 P161 P216 | S96-Y133 PolarHBondContact O-N 2.86Å; K131-Y133 VanDerWaalsContact C-N 3.33Å; K131-Y133 HydrophobicContact CB-CE1 4.46Å; K131-Y133 PolarHBondContact O-N 3.01Å; K131-Y133 VanDerWaalsContact O-N 3.11Å; Y133-E137 CarbonylContact C-O 3.41Å; Y133-E137 VanDerWaalsContact CA-O 3.25Å; Y133-E137 WeakPolarHBondContact CA-O 3.44Å; Y133-E137 WeakPolarHBondContact CB-O 3.27Å; Y133-D159 WeakPolarHBondContact CE1-OD1 3.41Å; Y133-D159 PolarHBondContact OH-OD1 2.7Å; Y133-P161 HydrophobicContact CD1-CG 4.11Å; Y133-P161 HydrophobicContact CG-CG 4.44Å; Y133-P216 HydrophobicContact CD2-CG 4.16Å; Y133-P216 HydrophobicContact CE2-CG 4.22Å |
| 134 | K | 83.3 | Confident | 89.5 | Confident | 80 Ų | 80 | 38 Ų | 38 | 35% | 0.348 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.8 | 140.4 | 171.6 | -174 | -174.6 | 174.6 | -163.7 | 0 | 109.9 | Y68 N97 G136 E137 | Y68-K134 HydrophobicContact CD1-CB 4.29Å; Y68-K134 HydrophobicContact CD1-CD 3.7Å; Y68-K134 HydrophobicContact CE1-CB 4.05Å; Y68-K134 HydrophobicContact CE1-CD 3.46Å; Y68-K134 VanDerWaalsContact CE1-CD 3.46Å; Y68-K134 HydrophobicContact CE1-CG 4.32Å; Y68-K134 HydrophobicContact CG-CD 4.42Å; N97-K134 HydrophobicContact CB-CB 4.05Å; N97-K134 PolarHBondContact ND2-O 2.85Å; K134-G136 VanDerWaalsContact C-N 3.27Å; K134-G136 PolarHBondContact O-N 2.94Å; K134-E137 PolarHBondContact N-O 2.9Å; K134-E137 PolarHBondContact O-N 2.9Å |
| 135 | D | 81.6 | Confident | 89.6 | Confident | 135 Ų | 135 | 36.1 Ų | 36.1 | 72% | 0.722 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.8 | 38 | 174.6 | -52.2 | -29.3 | 0 | 0 | 0 | 113.7 | E137 | D135-E137 PolarHBondContact O-N 3.01Š|
| 136 | G | 80.4 | Confident | 89.7 | Confident | 63 Ų | 63 | 38.3 Ų | 38.3 | 65% | 0.649 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 77.2 | -12.8 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115 | K134 | K134-G136 VanDerWaalsContact C-N 3.27Å; K134-G136 PolarHBondContact O-N 2.94Å |
| 137 | E | 86.1 | Confident | 89.7 | Confident | 65 Ų | 65 | 38.4 Ų | 38.4 | 30% | 0.304 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 148 | 174.6 | -50.9 | -152 | 117.5 | 0 | 0 | 111.5 | R69 N97 Y133 K134 D135 | R69-E137 VanDerWaalsContact CD-OE2 3.31Å; R69-E137 WeakPolarHBondContact CD-OE2 3.43Å; R69-E137 VanDerWaalsContact CZ-CD 3.47Å; R69-E137 IonicContact CZ-OE1 2.82Å; R69-E137 IonicContact CZ-OE2 3.15Å; R69-E137 IonicContact NE-OE2 3.46Å; R69-E137 PolarHBondContact NE-OE2 3.47Å; R69-E137 IonicContact NH1-OE1 2.69Å; R69-E137 PolarHBondContact NH1-OE1 2.9Å; R69-E137 IonicContact NH1-OE2 2.82Å; R69-E137 PolarHBondContact NH1-OE2 2.9Å; R69-E137 IonicContact NH2-OE1 2.75Å; R69-E137 PolarHBondContact NH2-OE1 2.03Å; R69-E137 IonicContact NH2-OE2 2.73Å; N97-E137 HydrophobicContact CB-CB 4.18Å; Y133-E137 CarbonylContact C-O 3.41Å; Y133-E137 VanDerWaalsContact CA-O 3.25Å; Y133-E137 WeakPolarHBondContact CA-O 3.44Å; Y133-E137 WeakPolarHBondContact CB-O 3.27Å; K134-E137 PolarHBondContact N-O 2.9Å; K134-E137 PolarHBondContact O-N 2.9Å; D135-E137 PolarHBondContact O-N 3.01Å |
| 138 | T | 90.4 | Very high | 89.5 | Confident | 34 Ų | 34 | 41.1 Ų | 41.1 | 21% | 0.209 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 147.4 | -168.2 | 55.7 | 0 | 0 | 0 | 0 | 111.9 | K140 P161 | T138-K140 PolarHBondContact O-N 3.12Å; T138-P161 HydrophobicContact CG2-CG 4.21Å |
| 139 | L | 92.2 | Very high | 89.4 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | trans | -70.3 | 116.7 | 171.9 | 176.8 | 62.2 | 0 | 0 | 0 | 110.7 | I93 V98 I101 N132 H141 V142 G162 L163 | I93-L139 HydrophobicContact CG2-CD2 4.1Å; V98-L139 HydrophobicContact CG2-CD1 4.15Å; V98-L139 WeakPolarHBondContact O-CA 3.45Å; V98-L139 WeakPolarHBondContact O-CD1 3.39Å; I101-L139 HydrophobicContact CD1-CD1 3.95Å; I101-L139 HydrophobicContact CD1-CD2 3.94Å; I101-L139 HydrophobicContact CG1-CD1 3.93Å; N132-L139 HydrophobicContact CB-CB 3.58Å; N132-L139 HydrophobicContact CB-CD2 3.54Å; N132-L139 HydrophobicContact CB-CG 4.22Å; N132-L139 PolarHBondContact O-N 2.94Å; L139-H141 WeakPolarHBondContact CD1-O 3.01Å; L139-V142 HydrophobicContact CD1-CG2 4.23Å; L139-V142 HydrophobicContact CD2-CG2 3.71Å; L139-V142 HydrophobicContact CG-CG2 4.17Å; L139-G162 CarbonylContact O-C 3.56Å; L139-L163 HydrophobicContact CG-CD1 4.4Å; L139-L163 VanDerWaalsContact O-CA 3.32Å; L139-L163 WeakPolarHBondContact O-CA 3.47Å; L139-L163 PolarHBondContact O-N 2.77Å | ||
| 140 | K | 89.3 | Confident | 89.4 | Confident | 83 Ų | 83 | 40.8 Ų | 40.8 | 36% | 0.361 | 21% | 0.208 | S | C | . | . | trans | -93.4 | -36.2 | -173.5 | -66.1 | 167.6 | -170.2 | 161.4 | 0 | 112.9 | N99 T138 G162 Q164 | N99-K140 PolarHBondContact O-N 3.2Å; N99-K140 WeakPolarHBondContact OD1-CD 3.39Å; N99-K140 WeakPolarHBondContact OD1-CE 3.08Å; N99-K140 PolarHBondContact OD1-NZ 2.87Å; T138-K140 PolarHBondContact O-N 3.12Å; K140-G162 WeakPolarHBondContact CA-O 3.42Å; K140-Q164 PolarHBondContact O-N 3.44Å | ||
| 141 | H | 91 | Very high | 89.5 | Confident | 48 Ų | 48 | 40.1 Ų | 40.1 | 22% | 0.222 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 144.6 | -175.7 | -171.4 | 61.7 | 0 | 0 | 0 | 112 | N99 N100 I101 L139 W241 | N99-H141 PolarHBondContact O-N 2.9Å; N99-H141 VanDerWaalsContact O-N 3.1Å; N100-H141 WeakPolarHBondContact CA-O 2.99Å; N100-H141 PolarHBondContact OD1-CD2 2.81Å; N100-H141 PolarHBondContact OD1-O 3.45Å; I101-H141 PolarHBondContact N-O 3.05Å; I101-H141 VanDerWaalsContact N-O 3.12Å; L139-H141 WeakPolarHBondContact CD1-O 3.01Å; H141-W241 PolarHBondContact CE1-O 3.39Å; H141-W241 VanDerWaalsContact CE1-O 3.3Å |
| 142 | V | 92.5 | Very high | 89.7 | Confident | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.006 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 113 | 166.4 | -178.5 | 0 | 0 | 0 | 0 | 105.7 | I93 I101 L139 L144 L163 L166 | I93-V142 HydrophobicContact CD1-CG1 3.67Å; I93-V142 HydrophobicContact CD1-CG2 4.27Å; I101-V142 HydrophobicContact CB-CG1 4.16Å; I101-V142 HydrophobicContact CB-CG2 4.24Å; I101-V142 HydrophobicContact CD1-CG2 4.42Å; I101-V142 HydrophobicContact CG2-CG1 4.23Å; L139-V142 HydrophobicContact CD1-CG2 4.23Å; L139-V142 HydrophobicContact CD2-CG2 3.71Å; L139-V142 HydrophobicContact CG-CG2 4.17Å; V142-L144 HydrophobicContact CG1-CD1 4.35Å; V142-L144 HydrophobicContact CG1-CG 4.14Å; V142-L144 PolarHBondContact O-N 2.76Å; V142-L163 HydrophobicContact CG2-CD1 4.14Å; V142-L166 HydrophobicContact CB-CD1 3.91Å |
| 143 | D | 91.8 | Very high | 89.6 | Confident | 26 Ų | 26 | 44.1 Ų | 44.1 | 14% | 0.139 | 23% | 0.226 | C | C | . | . | trans | -78.7 | 111.9 | -175.4 | -176.4 | 5.8 | 0 | 0 | 0 | 110.4 | I101 L103 S104 H145 | I101-D143 PolarHBondContact O-N 3.47Å; L103-D143 CarbonylContact C-O 3.54Å; L103-D143 VanDerWaalsContact CA-O 3.26Å; L103-D143 WeakPolarHBondContact CA-O 3.48Å; L103-D143 WeakPolarHBondContact CB-O 3.43Å; L103-D143 PolarHBondContact N-O 2.93Å; S104-D143 WeakPolarHBondContact CA-OD2 3.45Å; S104-D143 WeakPolarHBondContact CB-OD2 3.28Å; S104-D143 PolarHBondContact N-O 2.76Å; D143-H145 IonicContact OD1-CE1 3.88Å; D143-H145 IonicContact OD1-CG 2.7Å; D143-H145 PolarHBondContact OD1-N 3.05Å; D143-H145 VanDerWaalsContact OD1-N 3.14Å; D143-H145 IonicContact OD1-ND1 3.15Å; D143-H145 PolarHBondContact OD1-ND1 2.72Å; D143-H145 IonicContact OD2-CE1 3.27Å; D143-H145 IonicContact OD2-ND1 3.25Å; D143-H145 PolarHBondContact OD2-ND1 3.17Å | ||
| 144 | L | 93.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.213 | C | C | . | . | trans | -126.9 | 21.5 | 178.8 | -66.1 | 173.8 | 0 | 0 | 0 | 111.8 | L103 L106 L127 V142 N146 L147 L166 W241 | L103-L144 HydrophobicContact CB-CD2 3.86Å; L103-L144 HydrophobicContact CD1-CD2 4.2Å; L106-L144 HydrophobicContact CD2-CD2 3.97Å; L127-L144 HydrophobicContact CD2-CD1 4.31Å; V142-L144 HydrophobicContact CG1-CD1 4.35Å; V142-L144 HydrophobicContact CG1-CG 4.14Å; V142-L144 PolarHBondContact O-N 2.76Å; L144-N146 PolarHBondContact O-N 2.73Å; L144-L147 HydrophobicContact CB-CB 4.35Å; L144-L147 VanDerWaalsContact O-CB 3.24Å; L144-L147 WeakPolarHBondContact O-CB 3.38Å; L144-L147 PolarHBondContact O-N 2.99Å; L144-L166 HydrophobicContact CD1-CD1 4.18Å; L144-L166 HydrophobicContact CD1-CD2 4.33Å; L144-W241 HydrophobicContact CB-CE3 3.89Å; L144-W241 HydrophobicContact CB-CH2 4.33Å; L144-W241 HydrophobicContact CB-CZ3 3.64Å | ||
| 145 | H | 90.1 | Very high | 90.2 | Very high | 55 Ų | 55 | 37.1 Ų | 37.1 | 26% | 0.255 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -23.4 | -166.7 | 72.6 | -90.8 | 0 | 0 | 0 | 115.4 | S104 D143 K148 W241 | S104-H145 PolarHBondContact O-CE1 3.38Å; D143-H145 IonicContact OD1-CE1 3.88Å; D143-H145 IonicContact OD1-CG 2.7Å; D143-H145 PolarHBondContact OD1-N 3.05Å; D143-H145 VanDerWaalsContact OD1-N 3.14Å; D143-H145 IonicContact OD1-ND1 3.15Å; D143-H145 PolarHBondContact OD1-ND1 2.72Å; D143-H145 IonicContact OD2-CE1 3.27Å; D143-H145 IonicContact OD2-ND1 3.25Å; D143-H145 PolarHBondContact OD2-ND1 3.17Å; H145-K148 PolarHBondContact O-NZ 2.8Å; H145-W241 HydrophobicContact CB-CB 3.96Å; H145-W241 HydrophobicContact CB-CG 3.82Å; H145-W241 PolarHBondContact O-NE1 2.99Å |
| 146 | N | 91 | Very high | 90.7 | Very high | 47 Ų | 47 | 30.9 Ų | 30.9 | 25% | 0.251 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -2.6 | 174.7 | -74.3 | -49.5 | 0 | 0 | 0 | 115.6 | S104 L106 R107 L144 K148 | S104-N146 WeakPolarHBondContact O-CB 3.45Å; S104-N146 PolarHBondContact O-ND2 2.92Å; L106-N146 CarbonylContact O-C 3.53Å; R107-N146 WeakPolarHBondContact CA-O 3.48Å; L144-N146 PolarHBondContact O-N 2.73Å; N146-K148 WeakPolarHBondContact O-CD 3.5Å; N146-K148 VanDerWaalsContact O-CE 3.23Å; N146-K148 WeakPolarHBondContact O-CE 3.41Å; N146-K148 WeakPolarHBondContact O-CG 3.23Å; N146-K148 PolarHBondContact O-N 2.88Å |
| 147 | L | 93.7 | Very high | 91.2 | Very high | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.005 | 13% | 0.133 | C | C | . | . | trans | -65.9 | 117.1 | 177.4 | -175.8 | 64.4 | 0 | 0 | 0 | 109.8 | L106 I109 L144 I150 L175 W241 | L106-L147 HydrophobicContact CG-CD1 4.45Å; L106-L147 WeakPolarHBondContact O-CA 3.05Å; L106-L147 PolarHBondContact O-N 2.03Å; I109-L147 HydrophobicContact CD1-CD1 4.34Å; I109-L147 HydrophobicContact CG1-CD1 4.13Å; L144-L147 HydrophobicContact CB-CB 4.35Å; L144-L147 VanDerWaalsContact O-CB 3.24Å; L144-L147 WeakPolarHBondContact O-CB 3.38Å; L144-L147 PolarHBondContact O-N 2.99Å; L147-I150 HydrophobicContact CD1-CG1 4.5Å; L147-I150 HydrophobicContact CD2-CD1 4.29Å; L147-I150 HydrophobicContact CD2-CG1 4.41Å; L147-L175 HydrophobicContact CD2-CD1 4.4Å; L147-L175 WeakPolarHBondContact O-CD2 3.41Å; L147-W241 HydrophobicContact CB-CH2 4.14Å; L147-W241 HydrophobicContact CB-CZ2 4.47Å; L147-W241 HydrophobicContact CD2-CH2 4.36Å | ||
| 148 | K | 90.4 | Very high | 91.2 | Very high | 57 Ų | 57 | 25.8 Ų | 25.8 | 25% | 0.248 | 12% | 0.121 | C | C | . | . | trans | -117.9 | -18.2 | -179.1 | -49.5 | -48.3 | 170.1 | -162.7 | 0 | 114 | R107 H145 N146 G278 V289 | R107-K148 PolarHBondContact O-N 3.19Å; H145-K148 PolarHBondContact O-NZ 2.8Å; N146-K148 WeakPolarHBondContact O-CD 3.5Å; N146-K148 VanDerWaalsContact O-CE 3.23Å; N146-K148 WeakPolarHBondContact O-CE 3.41Å; N146-K148 WeakPolarHBondContact O-CG 3.23Å; N146-K148 PolarHBondContact O-N 2.88Å; K148-G278 WeakPolarHBondContact CB-O 3.47Å; K148-V289 HydrophobicContact CG-CG1 3.93Å | ||
| 149 | S | 92.1 | Very high | 91 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 138 | -178 | -176.9 | 0 | 0 | 0 | 0 | 112.8 | R107 V108 I109 L175 E177 | R107-S149 PolarHBondContact O-N 3.4Å; V108-S149 WeakPolarHBondContact CA-O 3.49Å; I109-S149 PolarHBondContact N-O 2.03Å; I109-S149 VanDerWaalsContact N-O 3.15Å; S149-L175 CarbonylContact C-O 3.52Å; S149-L175 WeakPolarHBondContact CA-O 3.2Å; S149-E177 WeakPolarHBondContact CB-OE1 3.49Å; S149-E177 PolarHBondContact OG-OE1 3.39Å |
| 150 | I | 93.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 106.4 | 163.6 | -57.6 | 178.4 | 0 | 0 | 0 | 106.1 | I109 A126 L147 R152 V155 W172 L175 F176 E177 Q182 | I109-I150 CarbonylContact O-C 3.44Å; I109-I150 VanDerWaalsContact O-CA 3.3Å; I109-I150 WeakPolarHBondContact O-CA 3.07Å; A126-I150 HydrophobicContact CB-CG2 3.48Å; A126-I150 VanDerWaalsContact CB-CG2 3.48Å; L147-I150 HydrophobicContact CD1-CG1 4.5Å; L147-I150 HydrophobicContact CD2-CD1 4.29Å; L147-I150 HydrophobicContact CD2-CG1 4.41Å; I150-R152 WeakPolarHBondContact CG2-O 3.28Å; I150-V155 HydrophobicContact CD1-CG2 3.64Å; I150-W172 HydrophobicContact CD1-CZ3 4.39Å; I150-L175 HydrophobicContact CG1-CB 4.37Å; I150-L175 PolarHBondContact N-O 2.87Å; I150-F176 HydrophobicContact CB-CD1 4.32Å; I150-F176 HydrophobicContact CD1-CE1 4.29Å; I150-E177 PolarHBondContact O-N 2.72Å; I150-Q182 PolarHBondContact O-NE2 2.84Å; I150-Q182 PolarHBondContact O-OE1 2.92Å |
| 151 | V | 91.3 | Very high | 90.4 | Very high | 29 Ų | 29 | 27.1 Ų | 27.1 | 18% | 0.176 | 14% | 0.137 | C | C | . | . | trans | -77 | -34.8 | -163.3 | -171.6 | 0 | 0 | 0 | 0 | 113.1 | V108 I109 R110 E177 L277 | V108-V151 HydrophobicContact CG1-CG2 3.96Å; I109-V151 PolarHBondContact O-N 2.87Å; R110-V151 HydrophobicContact CB-CB 4.47Å; R110-V151 HydrophobicContact CB-CG2 4.33Å; R110-V151 HydrophobicContact CG-CG2 4Å; V151-E177 HydrophobicContact CB-CG 4.49Å; V151-E177 HydrophobicContact CG1-CG 4.42Å; V151-L277 HydrophobicContact CG2-CD1 4.28Å; V151-L277 HydrophobicContact CG2-CD2 3.75Å | ||
| 152 | R | 90.9 | Very high | 90.2 | Very high | 126 Ų | 126 | 25.7 Ų | 25.7 | 48% | 0.475 | 13% | 0.134 | S | C | . | . | S | Bend | trans | -142.3 | 162.5 | 174.1 | -66.3 | -174.2 | 175.6 | 101.7 | -1.1 | 109.1 | R110 A111 A126 I150 Q182 | R110-R152 PolarHBondContact O-N 3.46Å; A111-R152 HydrophobicContact CB-CB 4.17Å; A111-R152 WeakPolarHBondContact CB-O 3.47Å; A126-R152 VanDerWaalsContact CB-O 3.27Å; A126-R152 WeakPolarHBondContact CB-O 3.08Å; I150-R152 WeakPolarHBondContact CG2-O 3.28Å; R152-Q182 VanDerWaalsContact C-NE2 3.33Å |
| 153 | G | 89.2 | Confident | 89.9 | Confident | 10 Ų | 10 | 26.4 Ų | 26.4 | 10% | 0.103 | 14% | 0.138 | C | C | . | . | S | Bend | trans | 79.1 | 153.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | G114 F124 Q182 | G114-G153 WeakPolarHBondContact O-CA 3.28Å; F124-G153 CarbonylContact O-C 3.59Å; F124-G153 WeakPolarHBondContact O-CA 3.41Å; G153-Q182 PolarHBondContact O-NE2 2.84Å |
| 154 | S | 91.2 | Very high | 89.8 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 167.9 | -176.4 | -66.3 | 0 | 0 | 0 | 0 | 112.4 | D123 F124 A125 A126 N183 | D123-S154 WeakPolarHBondContact CB-OG 3.48Å; D123-S154 PolarHBondContact OD2-OG 3.06Å; F124-S154 PolarHBondContact O-N 3.3Å; A125-S154 CarbonylContact C-O 3.58Å; A125-S154 WeakPolarHBondContact CA-O 3.44Å; A126-S154 PolarHBondContact N-O 2.04Å; S154-N183 CarbonylContact C-O 3.5Å; S154-N183 WeakPolarHBondContact CA-O 3.04Å; S154-N183 VanDerWaalsContact CB-O 3.3Å; S154-N183 WeakPolarHBondContact CB-O 3.05Å; S154-N183 PolarHBondContact OG-N 3.36Å |
| 155 | V | 92.5 | Very high | 89.5 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 131.7 | -176.9 | 177.1 | 0 | 0 | 0 | 0 | 110.8 | L127 I150 I157 W172 F176 N183 F184 Y185 | L127-V155 HydrophobicContact CB-CG1 4.11Å; L127-V155 HydrophobicContact CB-CG2 4.15Å; L127-V155 HydrophobicContact CD2-CG1 3.95Å; L127-V155 HydrophobicContact CG-CG1 4.14Å; L127-V155 WeakPolarHBondContact O-CA 3.24Å; I150-V155 HydrophobicContact CD1-CG2 3.64Å; V155-I157 HydrophobicContact CG1-CD1 4.16Å; V155-I157 HydrophobicContact CG1-CG1 4.08Å; V155-W172 HydrophobicContact CB-CE3 4.42Å; V155-W172 HydrophobicContact CG1-CD2 4.48Å; V155-W172 HydrophobicContact CG1-CE3 4.09Å; V155-W172 HydrophobicContact CG1-CH2 4.08Å; V155-W172 HydrophobicContact CG1-CZ2 4.45Å; V155-W172 HydrophobicContact CG1-CZ3 3.88Å; V155-W172 HydrophobicContact CG2-CE3 4.12Å; V155-W172 HydrophobicContact CG2-CZ3 4.23Å; V155-F176 HydrophobicContact CG2-CE1 3.7Å; V155-F176 HydrophobicContact CG2-CZ 4.15Å; V155-N183 PolarHBondContact N-O 2.82Å; V155-F184 HydrophobicContact CB-CD2 4.03Å; V155-F184 HydrophobicContact CG1-CD2 3.82Å; V155-F184 HydrophobicContact CG1-CE2 4.18Å; V155-F184 WeakPolarHBondContact O-CA 3.34Å; V155-Y185 PolarHBondContact O-N 2.85Å |
| 156 | Y | 91.4 | Very high | 89.3 | Confident | 4 Ų | 4 | 28.4 Ų | 28.4 | 2% | 0.016 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 112.5 | -176.6 | -65.8 | -98.7 | 0 | 0 | 0 | 110.7 | I118 L122 D123 A125 L127 I128 I129 Y185 | I118-Y156 HydrophobicContact CD1-CD1 3.81Å; I118-Y156 HydrophobicContact CD1-CD2 3.71Å; I118-Y156 HydrophobicContact CD1-CE1 4.05Å; I118-Y156 HydrophobicContact CD1-CE2 3.94Å; I118-Y156 HydrophobicContact CD1-CG 3.65Å; L122-Y156 HydrophobicContact CD1-CE1 4.12Å; L122-Y156 HydrophobicContact CD2-CE1 4.25Å; D123-Y156 PolarHBondContact N-OH 3.04Å; D123-Y156 PolarHBondContact O-OH 3.08Å; A125-Y156 HydrophobicContact CB-CD2 3.51Å; A125-Y156 HydrophobicContact CB-CE2 3.63Å; L127-Y156 PolarHBondContact O-N 2.78Å; I128-Y156 CarbonylContact C-O 3.46Å; I128-Y156 WeakPolarHBondContact CA-O 3.13Å; I129-Y156 PolarHBondContact N-O 3.19Å; Y156-Y185 AromaticContact CD1-CD2 3.68Å; Y156-Y185 HydrophobicContact CD1-CD2 3.68Å; Y156-Y185 AromaticContact CD1-CG 3.87Å; Y156-Y185 HydrophobicContact CD1-CG 3.87Å; Y156-Y185 HydrophobicContact CD2-CD2 4.33Å; Y156-Y185 HydrophobicContact CE1-CD1 4.4Å; Y156-Y185 AromaticContact CE1-CD2 3.19Å; Y156-Y185 HydrophobicContact CE1-CD2 3.19Å; Y156-Y185 AromaticContact CE1-CE2 3.7Å; Y156-Y185 HydrophobicContact CE1-CE2 3.7Å; Y156-Y185 AromaticContact CE1-CG 3.6Å; Y156-Y185 HydrophobicContact CE1-CG 3.6Å; Y156-Y185 AromaticContact CE2-CD2 3.93Å; Y156-Y185 HydrophobicContact CE2-CD2 3.93Å; Y156-Y185 HydrophobicContact CE2-CE2 4.19Å; Y156-Y185 HydrophobicContact CG-CD2 4.21Å; Y156-Y185 AromaticContact CZ-CD2 3.33Å; Y156-Y185 AromaticContact CZ-CE2 3.46Å; Y156-Y185 VanDerWaalsContact CZ-CE2 3.46Å; Y156-Y185 WeakPolarHBondContact OH-CE2 3.42Å |
| 157 | I | 90.9 | Very high | 88.9 | Confident | 4 Ų | 4 | 27.8 Ų | 27.8 | 2% | 0.021 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 100.6 | 178.9 | -57.1 | -179.6 | 0 | 0 | 0 | 109.7 | I129 V155 L163 L166 P167 W172 F184 Y185 S186 | I129-I157 HydrophobicContact CB-CG1 4.19Å; I129-I157 HydrophobicContact CB-CG2 4.31Å; I129-I157 HydrophobicContact CD1-CD1 4.04Å; I129-I157 HydrophobicContact CD1-CG1 4.19Å; I129-I157 HydrophobicContact CG1-CG1 4.19Å; V155-I157 HydrophobicContact CG1-CD1 4.16Å; V155-I157 HydrophobicContact CG1-CG1 4.08Å; I157-L163 HydrophobicContact CG2-CD2 3.86Å; I157-L166 HydrophobicContact CD1-CB 4.26Å; I157-P167 HydrophobicContact CG2-CG 4.13Å; I157-W172 HydrophobicContact CD1-CH2 3.85Å; I157-W172 HydrophobicContact CD1-CZ2 3.54Å; I157-F184 HydrophobicContact CB-CE2 4.15Å; I157-F184 HydrophobicContact CD1-CE2 4.09Å; I157-F184 HydrophobicContact CG1-CE2 4.13Å; I157-Y185 PolarHBondContact N-O 3.11Å; I157-S186 WeakPolarHBondContact O-CA 3.32Å |
| 158 | Y | 86 | Confident | 88.3 | Confident | 16 Ų | 16 | 31.5 Ų | 31.5 | 6% | 0.063 | 16% | 0.164 | C | C | . | . | trans | -148.3 | 153.6 | -171.5 | 66.7 | -69 | 0 | 0 | 0 | 109.9 | I128 I129 R130 N160 I190 L204 | I128-Y158 HydrophobicContact CG2-CE1 4.44Å; I129-Y158 PolarHBondContact O-N 3.24Å; I129-Y158 VanDerWaalsContact O-N 3.16Å; I129-Y158 VanDerWaalsContact O-O 3.09Å; R130-Y158 VanDerWaalsContact CA-O 3.3Å; R130-Y158 WeakPolarHBondContact CA-O 3.41Å; R130-Y158 HydrophobicContact CB-CD1 4.37Å; R130-Y158 HydrophobicContact CB-CE1 4.08Å; R130-Y158 HydrophobicContact CG-CD1 4.2Å; R130-Y158 HydrophobicContact CG-CD2 3.97Å; R130-Y158 HydrophobicContact CG-CE1 3.95Å; R130-Y158 HydrophobicContact CG-CE2 3.75Å; R130-Y158 HydrophobicContact CG-CG 4.21Å; Y158-N160 PolarHBondContact O-ND2 3.03Å; Y158-I190 HydrophobicContact CD1-CD1 4.3Å; Y158-I190 HydrophobicContact CD2-CD1 3.81Å; Y158-I190 HydrophobicContact CE2-CD1 4.3Å; Y158-I190 HydrophobicContact CG-CD1 3.79Å; Y158-L204 HydrophobicContact CE2-CD1 3.97Å | ||
| 159 | D | 85.6 | Confident | 88.2 | Confident | 32 Ų | 32 | 29.3 Ų | 29.3 | 17% | 0.171 | 16% | 0.156 | C | C | . | . | S | Bend | trans | 65.3 | 47 | 171.4 | -168.7 | 7.5 | 0 | 0 | 0 | 112 | R130 K131 Y133 H187 | R130-D159 HydrophobicContact CG-CB 3.74Å; R130-D159 IonicContact CZ-OD2 3.61Å; R130-D159 IonicContact NE-OD2 2.81Å; R130-D159 PolarHBondContact NE-OD2 2.88Å; R130-D159 IonicContact NH2-OD2 3.4Å; R130-D159 PolarHBondContact NH2-OD2 3.4Å; K131-D159 VanDerWaalsContact CA-O 3.23Å; K131-D159 WeakPolarHBondContact CA-O 3.38Å; K131-D159 WeakPolarHBondContact CG-OD2 3.46Å; K131-D159 PolarHBondContact N-O 3.41Å; Y133-D159 WeakPolarHBondContact CE1-OD1 3.41Å; Y133-D159 PolarHBondContact OH-OD1 2.7Å; D159-H187 PolarHBondContact N-CD2 2.92Å; D159-H187 VanDerWaalsContact N-CD2 3.26Å |
| 160 | N | 86.8 | Confident | 88.1 | Confident | 20 Ų | 20 | 29.8 Ų | 29.8 | 11% | 0.107 | 16% | 0.159 | C | C | . | . | trans | -139.8 | 81 | 177.6 | -49.3 | -77 | 0 | 0 | 0 | 110.8 | I129 R130 K131 N132 Y158 G162 L163 | I129-N160 PolarHBondContact O-ND2 3.01Å; R130-N160 WeakPolarHBondContact CA-OD1 3.49Å; R130-N160 PolarHBondContact N-OD1 2.92Å; K131-N160 PolarHBondContact N-OD1 2.91Å; N132-N160 WeakPolarHBondContact CB-OD1 3.24Å; N132-N160 PolarHBondContact N-OD1 2.03Å; N132-N160 PolarHBondContact ND2-OD1 2.95Å; Y158-N160 PolarHBondContact O-ND2 3.03Å; N160-G162 VanDerWaalsContact C-N 3.29Å; N160-G162 PolarHBondContact O-N 3.19Å; N160-L163 HydrophobicContact CB-CB 3.84Å; N160-L163 HydrophobicContact CB-CD2 4.2Å; N160-L163 PolarHBondContact O-N 2.92Å | ||
| 161 | P | 83.7 | Confident | 88 | Confident | 94 Ų | 94 | 31.4 Ų | 31.4 | 61% | 0.61 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -23.5 | -167.4 | 23.9 | -33.4 | 0 | 0 | 0 | 115.1 | Y133 T138 | Y133-P161 HydrophobicContact CD1-CG 4.11Å; Y133-P161 HydrophobicContact CG-CG 4.44Å; T138-P161 HydrophobicContact CG2-CG 4.21Å |
| 162 | G | 85.3 | Confident | 87.9 | Confident | 17 Ų | 17 | 30.5 Ų | 30.5 | 18% | 0.175 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -11 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | L139 K140 N160 Q164 | L139-G162 CarbonylContact O-C 3.56Å; K140-G162 WeakPolarHBondContact CA-O 3.42Å; N160-G162 VanDerWaalsContact C-N 3.29Å; N160-G162 PolarHBondContact O-N 3.19Å; G162-Q164 PolarHBondContact O-N 3.35Å |
| 163 | L | 87.9 | Confident | 87.8 | Confident | 17 Ų | 17 | 27.5 Ų | 27.5 | 9% | 0.089 | 16% | 0.155 | C | C | . | . | trans | -78.1 | 116.9 | -162.8 | -176.3 | 65.4 | 0 | 0 | 0 | 112.6 | I129 L139 V142 I157 N160 P167 | I129-L163 HydrophobicContact CG2-CD2 4.06Å; L139-L163 HydrophobicContact CG-CD1 4.4Å; L139-L163 VanDerWaalsContact O-CA 3.32Å; L139-L163 WeakPolarHBondContact O-CA 3.47Å; L139-L163 PolarHBondContact O-N 2.77Å; V142-L163 HydrophobicContact CG2-CD1 4.14Å; I157-L163 HydrophobicContact CG2-CD2 3.86Å; N160-L163 HydrophobicContact CB-CB 3.84Å; N160-L163 HydrophobicContact CB-CD2 4.2Å; N160-L163 PolarHBondContact O-N 2.92Å; L163-P167 HydrophobicContact CD2-CG 4.44Å | ||
| 164 | Q | 88 | Confident | 87.8 | Confident | 93 Ų | 93 | 27.4 Ų | 27.4 | 44% | 0.435 | 15% | 0.152 | S | C | . | . | trans | -93.9 | 158.2 | -176.7 | -54.4 | -176.3 | 8.3 | 0 | 0 | 112.3 | K140 G162 L166 | K140-Q164 PolarHBondContact O-N 3.44Å; G162-Q164 PolarHBondContact O-N 3.35Å; Q164-L166 VanDerWaalsContact C-N 3.27Å; Q164-L166 PolarHBondContact O-N 2.82Å | ||
| 165 | Y | 87.4 | Confident | 87.8 | Confident | 28 Ų | 28 | 27.6 Ų | 27.6 | 11% | 0.11 | 15% | 0.153 | C | C | . | . | S | Bend | trans | 63.8 | -58.8 | 176.1 | -54.3 | -88.9 | 0 | 0 | 0 | 116.7 | P167 D168 S169 S225 W241 G242 P243 | Y165-P167 VanDerWaalsContact C-CD 3.5Å; Y165-D168 PolarHBondContact O-N 2.8Å; Y165-S169 VanDerWaalsContact C-OG 3.28Å; Y165-S169 VanDerWaalsContact CA-OG 3.23Å; Y165-S169 WeakPolarHBondContact CA-OG 3.29Å; Y165-S169 PolarHBondContact O-N 3.18Å; Y165-S169 PolarHBondContact O-OG 3.14Å; Y165-S225 WeakPolarHBondContact CA-OG 3.44Å; Y165-S225 PolarHBondContact N-OG 2.92Å; Y165-S225 VanDerWaalsContact N-OG 3.12Å; Y165-W241 VanDerWaalsContact CB-O 3.28Å; Y165-W241 WeakPolarHBondContact CB-O 3.43Å; Y165-G242 VanDerWaalsContact CE1-C 3.49Å; Y165-P243 WeakPolarHBondContact OH-CB 3.49Å |
| 166 | L | 87.7 | Confident | 87.8 | Confident | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | -41.6 | -171 | -71.7 | -178.8 | 0 | 0 | 0 | 115.7 | I129 V142 L144 I157 Q164 I170 W172 W241 | I129-L166 HydrophobicContact CD1-CD1 4.05Å; V142-L166 HydrophobicContact CB-CD1 3.91Å; L144-L166 HydrophobicContact CD1-CD1 4.18Å; L144-L166 HydrophobicContact CD1-CD2 4.33Å; I157-L166 HydrophobicContact CD1-CB 4.26Å; Q164-L166 VanDerWaalsContact C-N 3.27Å; Q164-L166 PolarHBondContact O-N 2.82Å; L166-I170 HydrophobicContact CD2-CG1 4.09Å; L166-W172 HydrophobicContact CD2-CH2 4.45Å; L166-W172 HydrophobicContact CD2-CZ2 4.4Å; L166-W172 PolarHBondContact O-NE1 2.84Å; L166-W241 HydrophobicContact CD2-CE3 3.58Å; L166-W241 HydrophobicContact CD2-CZ3 3.63Å |
| 167 | P | 82.2 | Confident | 87.7 | Confident | 34 Ų | 34 | 29.9 Ų | 29.9 | 22% | 0.221 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -31.7 | -175 | -19.8 | 33.4 | 0 | 0 | 0 | 114.9 | I157 L163 Y165 | I157-P167 HydrophobicContact CG2-CG 4.13Å; L163-P167 HydrophobicContact CD2-CG 4.44Å; Y165-P167 VanDerWaalsContact C-CD 3.5Å |
| 168 | D | 81.2 | Confident | 87.3 | Confident | 80 Ų | 80 | 31.5 Ų | 31.5 | 43% | 0.428 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -125.2 | -8.7 | -165.6 | -87.2 | -57.1 | 0 | 0 | 0 | 114.5 | Y165 K188 | Y165-D168 PolarHBondContact O-N 2.8Å; D168-K188 IonicContact OD1-NZ 3.16Å; D168-K188 PolarHBondContact OD1-NZ 3.26Å; D168-K188 IonicContact OD2-NZ 3.09Å |
| 169 | S | 87.8 | Confident | 86.9 | Confident | 10 Ų | 10 | 34.3 Ų | 34.3 | 7% | 0.07 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -126.7 | 12.8 | -173.8 | 65.4 | 0 | 0 | 0 | 0 | 116.5 | Y165 Y239 C240 | Y165-S169 VanDerWaalsContact C-OG 3.28Å; Y165-S169 VanDerWaalsContact CA-OG 3.23Å; Y165-S169 WeakPolarHBondContact CA-OG 3.29Å; Y165-S169 PolarHBondContact O-N 3.18Å; Y165-S169 PolarHBondContact O-OG 3.14Å; S169-Y239 CarbonylContact O-C 3.55Å; S169-Y239 VanDerWaalsContact O-CA 3.24Å; S169-Y239 WeakPolarHBondContact O-CA 3.37Å; S169-Y239 WeakPolarHBondContact O-CB 3.41Å; S169-Y239 WeakPolarHBondContact O-CD1 3.46Å; S169-C240 PolarHBondContact O-N 2.71Å; S169-C240 PolarHBondContact OG-O 3.08Å |
| 170 | I | 89.7 | Confident | 86.4 | Confident | 11 Ų | 11 | 36.7 Ų | 36.7 | 6% | 0.056 | 23% | 0.226 | C | C | . | . | trans | -108.6 | 134.7 | 173.6 | -60.7 | -60.8 | 0 | 0 | 0 | 111.5 | L166 W172 L175 C240 W241 | L166-I170 HydrophobicContact CD2-CG1 4.09Å; I170-W172 HydrophobicContact CB-CD2 4.4Å; I170-W172 HydrophobicContact CB-CZ2 4.2Å; I170-W172 HydrophobicContact CG1-CZ2 4.46Å; I170-W172 HydrophobicContact CG2-CD2 3.79Å; I170-W172 HydrophobicContact CG2-CE3 4.27Å; I170-W172 HydrophobicContact CG2-CG 4.04Å; I170-W172 HydrophobicContact CG2-CZ2 4.14Å; I170-W172 PolarHBondContact O-N 2.75Å; I170-L175 HydrophobicContact CG2-CD1 4.28Å; I170-C240 WeakPolarHBondContact CD1-O 3.5Å; I170-W241 HydrophobicContact CD1-CB 4.49Å; I170-W241 HydrophobicContact CD1-CD2 3.38Å; I170-W241 HydrophobicContact CD1-CE3 3.36Å; I170-W241 HydrophobicContact CD1-CG 3.9Å; I170-W241 HydrophobicContact CD1-CH2 4.15Å; I170-W241 HydrophobicContact CD1-CZ2 4.17Å; I170-W241 HydrophobicContact CD1-CZ3 3.75Å; I170-W241 HydrophobicContact CG1-CD2 4.45Å; I170-W241 HydrophobicContact CG1-CE3 3.97Å; I170-W241 HydrophobicContact CG1-CZ3 4Å; I170-W241 HydrophobicContact CG2-CH2 4.15Å; I170-W241 HydrophobicContact CG2-CZ3 4.36Å | ||
| 171 | H | 90.4 | Very high | 86.1 | Confident | 33 Ų | 33 | 42.6 Ų | 42.6 | 15% | 0.153 | 25% | 0.253 | C | S | . | . | trans | -85.6 | 81.9 | 170.3 | -169.3 | -115.4 | 0 | 0 | 0 | 109.4 | T173 E174 Y239 Q249 | H171-T173 VanDerWaalsContact C-N 3.31Å; H171-T173 PolarHBondContact CE1-OG1 3.16Å; H171-T173 VanDerWaalsContact CE1-OG1 3.32Å; H171-T173 PolarHBondContact NE2-OG1 3.06Å; H171-T173 PolarHBondContact O-N 2.9Å; H171-E174 WeakPolarHBondContact O-CB 3.38Å; H171-E174 PolarHBondContact O-N 2.91Å; H171-Y239 HydrophobicContact CB-CD1 3.75Å; H171-Y239 HydrophobicContact CB-CD2 4.05Å; H171-Y239 HydrophobicContact CB-CE1 3.85Å; H171-Y239 HydrophobicContact CB-CE2 4.14Å; H171-Y239 HydrophobicContact CB-CG 3.84Å; H171-Y239 AromaticContact CD2-CZ 3.86Å; H171-Q249 PolarHBondContact O-NE2 3Å | ||
| 172 | W | 90.6 | Very high | 86.4 | Confident | 11 Ų | 11 | 38.3 Ų | 38.3 | 4% | 0.042 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -60 | -33.9 | -171.9 | -70.7 | 99.9 | 0 | 0 | 0 | 114.5 | L127 I150 V155 I157 L166 I170 E174 L175 F176 F184 | L127-W172 HydrophobicContact CD2-CH2 4.04Å; L127-W172 HydrophobicContact CD2-CZ3 4.14Å; I150-W172 HydrophobicContact CD1-CZ3 4.39Å; V155-W172 HydrophobicContact CB-CE3 4.42Å; V155-W172 HydrophobicContact CG1-CD2 4.48Å; V155-W172 HydrophobicContact CG1-CE3 4.09Å; V155-W172 HydrophobicContact CG1-CH2 4.08Å; V155-W172 HydrophobicContact CG1-CZ2 4.45Å; V155-W172 HydrophobicContact CG1-CZ3 3.88Å; V155-W172 HydrophobicContact CG2-CE3 4.12Å; V155-W172 HydrophobicContact CG2-CZ3 4.23Å; I157-W172 HydrophobicContact CD1-CH2 3.85Å; I157-W172 HydrophobicContact CD1-CZ2 3.54Å; L166-W172 HydrophobicContact CD2-CH2 4.45Å; L166-W172 HydrophobicContact CD2-CZ2 4.4Å; L166-W172 PolarHBondContact O-NE1 2.84Å; I170-W172 HydrophobicContact CB-CD2 4.4Å; I170-W172 HydrophobicContact CB-CZ2 4.2Å; I170-W172 HydrophobicContact CG1-CZ2 4.46Å; I170-W172 HydrophobicContact CG2-CD2 3.79Å; I170-W172 HydrophobicContact CG2-CE3 4.27Å; I170-W172 HydrophobicContact CG2-CG 4.04Å; I170-W172 HydrophobicContact CG2-CZ2 4.14Å; I170-W172 PolarHBondContact O-N 2.75Å; W172-E174 PolarHBondContact O-N 3.47Å; W172-L175 HydrophobicContact CE3-CD1 3.82Å; W172-L175 HydrophobicContact CZ3-CD1 4.07Å; W172-L175 WeakPolarHBondContact O-CB 3.43Å; W172-L175 PolarHBondContact O-N 3.26Å; W172-F176 HydrophobicContact CB-CE1 4.41Å; W172-F176 HydrophobicContact CB-CE2 4.48Å; W172-F176 HydrophobicContact CB-CZ 3.98Å; W172-F176 PolarHBondContact O-N 3.04Å; W172-F184 HydrophobicContact CB-CB 4.11Å; W172-F184 HydrophobicContact CB-CG 4.33Å; W172-F184 AromaticContact CD1-CD1 3.51Å; W172-F184 AromaticContact CD1-CD2 3.82Å; W172-F184 AromaticContact CD1-CE1 3.68Å; W172-F184 AromaticContact CD1-CE2 3.99Å; W172-F184 AromaticContact CD1-CG 3.57Å; W172-F184 AromaticContact CD1-CZ 3.92Å; W172-F184 HydrophobicContact CD2-CD2 4.13Å; W172-F184 HydrophobicContact CD2-CE2 4.43Å; W172-F184 HydrophobicContact CD2-CG 4.44Å; W172-F184 AromaticContact CE2-CE2 3.86Å; W172-F184 HydrophobicContact CG-CB 4.17Å; W172-F184 HydrophobicContact CG-CD1 4.22Å; W172-F184 HydrophobicContact CG-CD2 4.03Å; W172-F184 AromaticContact CG-CG 3.86Å; W172-F184 HydrophobicContact CG-CG 3.86Å; W172-F184 HydrophobicContact CZ2-CE2 4.33Å; W172-F184 AromaticContact NE1-CD1 3.96Å; W172-F184 AromaticContact NE1-CD2 3.79Å; W172-F184 AromaticContact NE1-CE1 3.7Å; W172-F184 AromaticContact NE1-CE2 3.53Å; W172-F184 AromaticContact NE1-CZ 3.47Å |
| 173 | T | 89 | Confident | 86.5 | Confident | 62 Ų | 62 | 41 Ų | 41 | 38% | 0.38 | 24% | 0.235 | S | C | . | . | G | 310 helix | trans | -67.3 | -13 | 179.3 | 51.6 | 0 | 0 | 0 | 0 | 114.5 | H171 L175 F176 V179 K253 | H171-T173 VanDerWaalsContact C-N 3.31Å; H171-T173 PolarHBondContact CE1-OG1 3.16Å; H171-T173 VanDerWaalsContact CE1-OG1 3.32Å; H171-T173 PolarHBondContact NE2-OG1 3.06Å; H171-T173 PolarHBondContact O-N 2.9Å; T173-L175 VanDerWaalsContact C-N 3.31Å; T173-F176 HydrophobicContact CG2-CD2 4.44Å; T173-V179 HydrophobicContact CG2-CG1 4.24Å; T173-K253 PolarHBondContact O-NZ 3.38Å |
| 174 | E | 88.6 | Confident | 86.5 | Confident | 8 Ų | 8 | 42.6 Ų | 42.6 | 4% | 0.037 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -70.7 | -28.8 | 168.5 | -178.5 | 60.4 | -151.7 | 0 | 0 | 112.1 | H171 W172 S252 K253 R261 | H171-E174 WeakPolarHBondContact O-CB 3.38Å; H171-E174 PolarHBondContact O-N 2.91Å; W172-E174 PolarHBondContact O-N 3.47Å; E174-S252 WeakPolarHBondContact OE1-CA 3.38Å; E174-S252 PolarHBondContact OE1-N 3.38Å; E174-S252 PolarHBondContact OE1-OG 3.09Å; E174-K253 VanDerWaalsContact O-CE 3.25Å; E174-K253 WeakPolarHBondContact O-CE 3.49Å; E174-K253 PolarHBondContact OE1-N 2.89Å; E174-R261 PolarHBondContact O-NH1 3.43Å |
| 175 | L | 91.7 | Very high | 86.4 | Confident | 4 Ų | 4 | 40.8 Ų | 40.8 | 2% | 0.021 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | -36.3 | -173.9 | -55.2 | 172.6 | 0 | 0 | 0 | 112.3 | L147 S149 I150 I170 W172 T173 W241 | L147-L175 HydrophobicContact CD2-CD1 4.4Å; L147-L175 WeakPolarHBondContact O-CD2 3.41Å; S149-L175 CarbonylContact C-O 3.52Å; S149-L175 WeakPolarHBondContact CA-O 3.2Å; I150-L175 HydrophobicContact CG1-CB 4.37Å; I150-L175 PolarHBondContact N-O 2.87Å; I170-L175 HydrophobicContact CG2-CD1 4.28Å; W172-L175 HydrophobicContact CE3-CD1 3.82Å; W172-L175 HydrophobicContact CZ3-CD1 4.07Å; W172-L175 WeakPolarHBondContact O-CB 3.43Å; W172-L175 PolarHBondContact O-N 3.26Å; T173-L175 VanDerWaalsContact C-N 3.31Å; L175-W241 HydrophobicContact CD1-CH2 3.88Å; L175-W241 HydrophobicContact CD1-CZ2 4.36Å |
| 176 | F | 92 | Very high | 85.8 | Confident | 2 Ų | 2 | 40.4 Ų | 40.4 | 1% | 0.009 | 23% | 0.233 | C | C | . | . | B | Isolated β-bridge | trans | -63.7 | 131.9 | 179 | -57.3 | -17.2 | 0 | 0 | 0 | 111 | I150 V155 W172 T173 V179 Q182 N183 F184 K253 | I150-F176 HydrophobicContact CB-CD1 4.32Å; I150-F176 HydrophobicContact CD1-CE1 4.29Å; V155-F176 HydrophobicContact CG2-CE1 3.7Å; V155-F176 HydrophobicContact CG2-CZ 4.15Å; W172-F176 HydrophobicContact CB-CE1 4.41Å; W172-F176 HydrophobicContact CB-CE2 4.48Å; W172-F176 HydrophobicContact CB-CZ 3.98Å; W172-F176 PolarHBondContact O-N 3.04Å; T173-F176 HydrophobicContact CG2-CD2 4.44Å; F176-V179 HydrophobicContact CB-CG2 4.47Å; F176-Q182 HydrophobicContact CB-CB 3.91Å; F176-Q182 HydrophobicContact CB-CG 4.43Å; F176-Q182 HydrophobicContact CD1-CB 4.13Å; F176-Q182 HydrophobicContact CD2-CB 3.62Å; F176-Q182 WeakPolarHBondContact CD2-O 3.32Å; F176-Q182 HydrophobicContact CE2-CB 4.13Å; F176-Q182 VanDerWaalsContact CE2-O 3.24Å; F176-Q182 WeakPolarHBondContact CE2-O 3.09Å; F176-Q182 HydrophobicContact CG-CB 3.62Å; F176-N183 WeakPolarHBondContact CZ-O 3.07Å; F176-F184 HydrophobicContact CZ-CB 4.24Å; F176-K253 WeakPolarHBondContact O-CE 3.22Å; F176-K253 PolarHBondContact O-NZ 2.82Å |
| 177 | E | 88.8 | Confident | 84.5 | Confident | 50 Ų | 50 | 44.3 Ų | 44.3 | 23% | 0.234 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -76.8 | -46.9 | 170.7 | -59.5 | -59.7 | 158.7 | 0 | 0 | 110.3 | S149 I150 V151 V179 Q182 R261 L277 | S149-E177 WeakPolarHBondContact CB-OE1 3.49Å; S149-E177 PolarHBondContact OG-OE1 3.39Å; I150-E177 PolarHBondContact O-N 2.72Å; V151-E177 HydrophobicContact CB-CG 4.49Å; V151-E177 HydrophobicContact CG1-CG 4.42Å; E177-V179 PolarHBondContact O-N 2.89Å; E177-Q182 VanDerWaalsContact N-OE1 3.08Å; E177-R261 IonicContact OE1-CZ 2.78Å; E177-R261 IonicContact OE1-NH2 2.73Å; E177-R261 PolarHBondContact OE1-NH2 2.71Å; E177-R261 IonicContact OE2-CZ 3.52Å; E177-R261 IonicContact OE2-NE 2.7Å; E177-R261 IonicContact OE2-NH2 2.68Å; E177-R261 PolarHBondContact OE2-NH2 3.24Å; E177-L277 HydrophobicContact CG-CD1 4.02Å; E177-L277 VanDerWaalsContact OE1-CD1 3.26Å; E177-L277 WeakPolarHBondContact OE1-CD1 3.42Å |
| 178 | S | 83.7 | Confident | 83 | Confident | 39 Ų | 39 | 49.3 Ų | 49.3 | 27% | 0.273 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -93.6 | 80.8 | 175.6 | -74.1 | 0 | 0 | 0 | 0 | 111.7 | G180 E181 Q182 | S178-G180 PolarHBondContact O-N 3.46Å; S178-E181 WeakPolarHBondContact CB-OE2 3.35Å; S178-E181 PolarHBondContact O-N 3.36Å; S178-E181 PolarHBondContact OG-OE2 2.72Å; S178-Q182 WeakPolarHBondContact O-CB 3.47Å; S178-Q182 WeakPolarHBondContact O-CG 3.35Å; S178-Q182 PolarHBondContact O-N 3.34Å; S178-Q182 VanDerWaalsContact O-N 3.15Å |
| 179 | V | 77.2 | Confident | 81.4 | Confident | 75 Ų | 75 | 50.3 Ų | 50.3 | 46% | 0.455 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -16.6 | -177 | -171.8 | 0 | 0 | 0 | 0 | 113.8 | T173 F176 E177 | T173-V179 HydrophobicContact CG2-CG1 4.24Å; F176-V179 HydrophobicContact CB-CG2 4.47Å; E177-V179 PolarHBondContact O-N 2.89Å |
| 180 | G | 74.6 | Confident | 79.6 | Confident | 82 Ų | 82 | 52.8 Ų | 52.8 | 85% | 0.845 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | -6.6 | 173 | 0 | 0 | 0 | 0 | 0 | 115.4 | S178 | S178-G180 PolarHBondContact O-N 3.46Š|
| 181 | E | 81.6 | Confident | 77 | Confident | 143 Ų | 143 | 58.6 Ų | 58.6 | 67% | 0.668 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122 | -0 | -175.4 | -49.8 | 176.7 | 141.7 | 0 | 0 | 112.3 | S178 | S178-E181 WeakPolarHBondContact CB-OE2 3.35Å; S178-E181 PolarHBondContact O-N 3.36Å; S178-E181 PolarHBondContact OG-OE2 2.72Å |
| 182 | Q | 88.7 | Confident | 74.2 | Confident | 4 Ų | 4 | 60 Ų | 60 | 2% | 0.019 | 32% | 0.323 | C | S | . | . | trans | -134 | 127.4 | -173.3 | -61.3 | -179.8 | -95.8 | 0 | 0 | 110.4 | I150 R152 G153 F176 E177 S178 | I150-Q182 PolarHBondContact O-NE2 2.84Å; I150-Q182 PolarHBondContact O-OE1 2.92Å; R152-Q182 VanDerWaalsContact C-NE2 3.33Å; G153-Q182 PolarHBondContact O-NE2 2.84Å; F176-Q182 HydrophobicContact CB-CB 3.91Å; F176-Q182 HydrophobicContact CB-CG 4.43Å; F176-Q182 HydrophobicContact CD1-CB 4.13Å; F176-Q182 HydrophobicContact CD2-CB 3.62Å; F176-Q182 WeakPolarHBondContact CD2-O 3.32Å; F176-Q182 HydrophobicContact CE2-CB 4.13Å; F176-Q182 VanDerWaalsContact CE2-O 3.24Å; F176-Q182 WeakPolarHBondContact CE2-O 3.09Å; F176-Q182 HydrophobicContact CG-CB 3.62Å; E177-Q182 VanDerWaalsContact N-OE1 3.08Å; S178-Q182 WeakPolarHBondContact O-CB 3.47Å; S178-Q182 WeakPolarHBondContact O-CG 3.35Å; S178-Q182 PolarHBondContact O-N 3.34Å; S178-Q182 VanDerWaalsContact O-N 3.15Å | ||
| 183 | N | 87.5 | Confident | 71.4 | Confident | 73 Ų | 73 | 67.1 Ų | 67.1 | 39% | 0.39 | 36% | 0.362 | S | S | . | . | trans | -119.2 | 162.5 | -174.3 | -71 | -61.8 | 0 | 0 | 0 | 112.3 | D123 S154 V155 F176 Y185 | D123-N183 PolarHBondContact OD2-ND2 2.97Å; S154-N183 CarbonylContact C-O 3.5Å; S154-N183 WeakPolarHBondContact CA-O 3.04Å; S154-N183 VanDerWaalsContact CB-O 3.3Å; S154-N183 WeakPolarHBondContact CB-O 3.05Å; S154-N183 PolarHBondContact OG-N 3.36Å; V155-N183 PolarHBondContact N-O 2.82Å; F176-N183 WeakPolarHBondContact CZ-O 3.07Å; N183-Y185 HydrophobicContact CB-CD2 4.27Å; N183-Y185 HydrophobicContact CB-CE2 3.48Å; N183-Y185 VanDerWaalsContact CB-CE2 3.48Å | ||
| 184 | F | 88.3 | Confident | 68.6 | Low | 52 Ų | 52 | 69.1 Ų | 69.1 | 23% | 0.228 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 121.9 | 170.3 | 170.4 | -117.9 | 0 | 0 | 0 | 110.6 | V155 I157 W172 F176 | V155-F184 HydrophobicContact CB-CD2 4.03Å; V155-F184 HydrophobicContact CG1-CD2 3.82Å; V155-F184 HydrophobicContact CG1-CE2 4.18Å; V155-F184 WeakPolarHBondContact O-CA 3.34Å; I157-F184 HydrophobicContact CB-CE2 4.15Å; I157-F184 HydrophobicContact CD1-CE2 4.09Å; I157-F184 HydrophobicContact CG1-CE2 4.13Å; W172-F184 HydrophobicContact CB-CB 4.11Å; W172-F184 HydrophobicContact CB-CG 4.33Å; W172-F184 AromaticContact CD1-CD1 3.51Å; W172-F184 AromaticContact CD1-CD2 3.82Å; W172-F184 AromaticContact CD1-CE1 3.68Å; W172-F184 AromaticContact CD1-CE2 3.99Å; W172-F184 AromaticContact CD1-CG 3.57Å; W172-F184 AromaticContact CD1-CZ 3.92Å; W172-F184 HydrophobicContact CD2-CD2 4.13Å; W172-F184 HydrophobicContact CD2-CE2 4.43Å; W172-F184 HydrophobicContact CD2-CG 4.44Å; W172-F184 AromaticContact CE2-CE2 3.86Å; W172-F184 HydrophobicContact CG-CB 4.17Å; W172-F184 HydrophobicContact CG-CD1 4.22Å; W172-F184 HydrophobicContact CG-CD2 4.03Å; W172-F184 AromaticContact CG-CG 3.86Å; W172-F184 HydrophobicContact CG-CG 3.86Å; W172-F184 HydrophobicContact CZ2-CE2 4.33Å; W172-F184 AromaticContact NE1-CD1 3.96Å; W172-F184 AromaticContact NE1-CD2 3.79Å; W172-F184 AromaticContact NE1-CE1 3.7Å; W172-F184 AromaticContact NE1-CE2 3.53Å; W172-F184 AromaticContact NE1-CZ 3.47Å; F176-F184 HydrophobicContact CZ-CB 4.24Å |
| 185 | Y | 85.2 | Confident | 65.9 | Low | 54 Ų | 54 | 79.5 Ų | 79.5 | 21% | 0.212 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 128.9 | -179.7 | -59.6 | -86 | 0 | 0 | 0 | 110.6 | D123 V155 Y156 I157 N183 L189 | D123-Y185 PolarHBondContact OD2-OH 2.93Å; V155-Y185 PolarHBondContact O-N 2.85Å; Y156-Y185 AromaticContact CD1-CD2 3.68Å; Y156-Y185 HydrophobicContact CD1-CD2 3.68Å; Y156-Y185 AromaticContact CD1-CG 3.87Å; Y156-Y185 HydrophobicContact CD1-CG 3.87Å; Y156-Y185 HydrophobicContact CD2-CD2 4.33Å; Y156-Y185 HydrophobicContact CE1-CD1 4.4Å; Y156-Y185 AromaticContact CE1-CD2 3.19Å; Y156-Y185 HydrophobicContact CE1-CD2 3.19Å; Y156-Y185 AromaticContact CE1-CE2 3.7Å; Y156-Y185 HydrophobicContact CE1-CE2 3.7Å; Y156-Y185 AromaticContact CE1-CG 3.6Å; Y156-Y185 HydrophobicContact CE1-CG 3.6Å; Y156-Y185 AromaticContact CE2-CD2 3.93Å; Y156-Y185 HydrophobicContact CE2-CD2 3.93Å; Y156-Y185 HydrophobicContact CE2-CE2 4.19Å; Y156-Y185 HydrophobicContact CG-CD2 4.21Å; Y156-Y185 AromaticContact CZ-CD2 3.33Å; Y156-Y185 AromaticContact CZ-CE2 3.46Å; Y156-Y185 VanDerWaalsContact CZ-CE2 3.46Å; Y156-Y185 WeakPolarHBondContact OH-CE2 3.42Å; I157-Y185 PolarHBondContact N-O 3.11Å; N183-Y185 HydrophobicContact CB-CD2 4.27Å; N183-Y185 HydrophobicContact CB-CE2 3.48Å; N183-Y185 VanDerWaalsContact CB-CE2 3.48Å; Y185-L189 HydrophobicContact CD1-CD1 4.49Å |
| 186 | S | 75.5 | Confident | 63 | Low | 20 Ų | 20 | 83 Ų | 83 | 14% | 0.14 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 170 | 176.7 | 69.6 | 0 | 0 | 0 | 0 | 111.5 | I157 K188 L189 | I157-S186 WeakPolarHBondContact O-CA 3.32Å; S186-K188 PolarHBondContact O-N 2.83Å; S186-L189 PolarHBondContact O-N 3.28Å |
| 187 | H | 61.2 | Low | 60.2 | Low | 84 Ų | 84 | 91.6 Ų | 91.6 | 39% | 0.389 | 50% | 0.497 | S | S | . | . | G | 310 helix | trans | -51.7 | -26.5 | -175.9 | -145.3 | -109.4 | 0 | 0 | 0 | 115.1 | D159 L189 I190 Q191 | D159-H187 PolarHBondContact N-CD2 2.92Å; D159-H187 VanDerWaalsContact N-CD2 3.26Å; H187-L189 PolarHBondContact O-N 3.12Å; H187-I190 PolarHBondContact O-N 2.9Å; H187-Q191 PolarHBondContact CE1-NE2 3.36Å |
| 188 | K | 49.8 | Very low | 57.5 | Low | 139 Ų | 139 | 99.3 Ų | 99.3 | 60% | 0.604 | 53% | 0.529 | S | S | * | . | G | 310 helix | trans | -68.3 | -9.8 | 178.3 | -68.3 | 166 | -174 | 150.8 | 0 | 114.4 | D168 S186 | D168-K188 IonicContact OD1-NZ 3.16Å; D168-K188 PolarHBondContact OD1-NZ 3.26Å; D168-K188 IonicContact OD2-NZ 3.09Å; S186-K188 PolarHBondContact O-N 2.83Å |
| 189 | L | 48.7 | Very low | 55.2 | Low | 100 Ų | 100 | 101.7 Ų | 101.7 | 52% | 0.524 | 54% | 0.539 | S | S | . | . | G | 310 helix | trans | -113.3 | -5.3 | -179.2 | -71.1 | 169 | 0 | 0 | 0 | 114 | Y185 S186 H187 | Y185-L189 HydrophobicContact CD1-CD1 4.49Å; S186-L189 PolarHBondContact O-N 3.28Å; H187-L189 PolarHBondContact O-N 3.12Å |
| 190 | I | 49.4 | Very low | 53.5 | Low | 62 Ų | 62 | 103 Ų | 103 | 32% | 0.318 | 54% | 0.543 | S | S | . | . | S | Bend | trans | -111.4 | 11.9 | -175.6 | -45 | -179.3 | 0 | 0 | 0 | 110.6 | Y158 H187 | Y158-I190 HydrophobicContact CD1-CD1 4.3Å; Y158-I190 HydrophobicContact CD2-CD1 3.81Å; Y158-I190 HydrophobicContact CE2-CD1 4.3Å; Y158-I190 HydrophobicContact CG-CD1 3.79Å; H187-I190 PolarHBondContact O-N 2.9Å |
| 191 | Q | 35.2 | Very low | 51.5 | Low | 134 Ų | 134 | 104.4 Ų | 104.4 | 63% | 0.626 | 54% | 0.535 | S | S | * | . | trans | -123.2 | 114.9 | 173.7 | -69.3 | -173.4 | -34.4 | 0 | 0 | 110.2 | H187 | H187-Q191 PolarHBondContact CE1-NE2 3.36Š| ||
| 192 | T | 32.2 | Very low | 49.7 | Very low | 61 Ų | 61 | 99 Ų | 99 | 37% | 0.374 | 51% | 0.51 | S | S | . | . | trans | -133.3 | 103.6 | 162.4 | 40.1 | 0 | 0 | 0 | 0 | 111.5 | N199 T201 | T192-N199 HydrophobicContact CG2-CB 3.57Å; T192-N199 WeakPolarHBondContact CG2-ND2 3.36Å; T192-T201 VanDerWaalsContact OG1-CG2 3.24Å; T192-T201 WeakPolarHBondContact OG1-CG2 3.25Å | ||
| 193 | N | 30.2 | Very low | 47.4 | Very low | 161 Ų | 161 | 103.2 Ų | 103.2 | 86% | 0.861 | 53% | 0.533 | S | S | * | . | trans | -70 | 147 | 158 | -75.3 | -41.4 | 0 | 0 | 0 | 110.1 | ||||
| 194 | S | 31.7 | Very low | 45.3 | Very low | 104 Ų | 104 | 101.9 Ų | 101.9 | 73% | 0.727 | 53% | 0.526 | S | S | * | . | S | Bend | trans | 39.4 | 117.4 | 145.3 | -138.7 | 0 | 0 | 0 | 0 | 119.4 | ||
| 195 | Y | 32 | Very low | 43.1 | Very low | 227 Ų | 227 | 106.6 Ų | 106.6 | 89% | 0.89 | 55% | 0.548 | S | S | * | . | S | Bend | trans | 63.6 | 92.1 | 168.5 | -74.8 | -97.8 | 0 | 0 | 0 | 117.4 | ||
| 196 | G | 30.1 | Very low | 40.7 | Very low | 78 Ų | 78 | 110.3 Ų | 110.3 | 80% | 0.804 | 57% | 0.571 | S | S | * | * | 99.4 | 33.2 | 117 | 0 | 0 | 0 | 0 | 0 | 120 | |||||
| 197 | E | 33.7 | Very low | 38.8 | Very low | 182 Ų | 182 | 117.4 Ų | 117.4 | 85% | 0.85 | 60% | 0.596 | S | S | * | * | trans | -146.4 | 160.3 | 159.6 | -121.9 | 167.6 | -153.5 | 0 | 0 | 112.3 | N199 | E197-N199 PolarHBondContact O-N 2.77Š| ||
| 198 | K | 32 | Very low | 37.6 | Very low | 211 Ų | 211 | 119.1 Ų | 119.1 | 92% | 0.917 | 60% | 0.604 | S | S | * | * | trans | -77.6 | 76.9 | -168.5 | -74 | -172.1 | 175 | -175.3 | 0 | 113.5 | ||||
| 199 | N | 34.9 | Very low | 36.7 | Very low | 90 Ų | 90 | 121.8 Ų | 121.8 | 48% | 0.481 | 62% | 0.618 | S | S | . | * | trans | -107.8 | 146.4 | 166.4 | -69.1 | -27.2 | 0 | 0 | 0 | 110.8 | T192 E197 T201 | T192-N199 HydrophobicContact CG2-CB 3.57Å; T192-N199 WeakPolarHBondContact CG2-ND2 3.36Å; E197-N199 PolarHBondContact O-N 2.77Å; N199-T201 PolarHBondContact O-N 3.22Å; N199-T201 VanDerWaalsContact O-N 3.16Å | ||
| 200 | I | 40.4 | Very low | 36.1 | Very low | 103 Ų | 103 | 121 Ų | 121 | 53% | 0.528 | 61% | 0.614 | S | S | . | * | trans | -82 | 97.4 | -173.3 | -44.5 | 178.3 | 0 | 0 | 0 | 109.9 | I202 | I200-I202 VanDerWaalsContact C-N 3.31Å; I200-I202 HydrophobicContact CG2-CD1 4.05Å; I200-I202 HydrophobicContact CG2-CG1 3.57Å; I200-I202 PolarHBondContact O-N 3.01Å | ||
| 201 | T | 34.6 | Very low | 35.4 | Very low | 110 Ų | 110 | 123.6 Ų | 123.6 | 68% | 0.675 | 64% | 0.636 | S | S | * | * | trans | -75.9 | 78.9 | 171.9 | 49.6 | 0 | 0 | 0 | 0 | 111 | T192 N199 D203 | T192-T201 VanDerWaalsContact OG1-CG2 3.24Å; T192-T201 WeakPolarHBondContact OG1-CG2 3.25Å; N199-T201 PolarHBondContact O-N 3.22Å; N199-T201 VanDerWaalsContact O-N 3.16Å; T201-D203 PolarHBondContact O-N 2.87Å | ||
| 202 | I | 42.2 | Very low | 35.8 | Very low | 31 Ų | 31 | 124.8 Ų | 124.8 | 16% | 0.159 | 64% | 0.641 | C | S | . | * | trans | -82.4 | 109.7 | 167.3 | -48.1 | -177.1 | 0 | 0 | 0 | 108 | H119 L122 I200 L204 | H119-I202 HydrophobicContact CB-CD1 4.2Å; L122-I202 HydrophobicContact CD1-CD1 3.71Å; L122-I202 HydrophobicContact CD2-CD1 3.72Å; L122-I202 HydrophobicContact CG-CD1 3.47Å; L122-I202 VanDerWaalsContact CG-CD1 3.47Å; I200-I202 VanDerWaalsContact C-N 3.31Å; I200-I202 HydrophobicContact CG2-CD1 4.05Å; I200-I202 HydrophobicContact CG2-CG1 3.57Å; I200-I202 PolarHBondContact O-N 3.01Å; I202-L204 VanDerWaalsContact C-N 3.28Å; I202-L204 HydrophobicContact CB-CG 4.25Å; I202-L204 HydrophobicContact CG2-CD2 3.76Å; I202-L204 HydrophobicContact CG2-CG 3.8Å; I202-L204 PolarHBondContact O-N 2.98Å | ||
| 203 | D | 39.9 | Very low | 36.2 | Very low | 91 Ų | 91 | 127.1 Ų | 127.1 | 49% | 0.487 | 65% | 0.651 | S | S | . | * | trans | -72.4 | 85.4 | 172.6 | -174.1 | -4.4 | 0 | 0 | 0 | 110.6 | T201 Q205 L206 | T201-D203 PolarHBondContact O-N 2.87Å; D203-Q205 PolarHBondContact O-N 3.28Å; D203-Q205 VanDerWaalsContact O-N 3.14Å; D203-Q205 VanDerWaalsContact OD1-CB 3.25Å; D203-Q205 WeakPolarHBondContact OD1-CB 3.34Å; D203-Q205 PolarHBondContact OD1-N 3.34Å; D203-L206 HydrophobicContact CB-CD1 4.19Å | ||
| 204 | L | 44.8 | Very low | 36.8 | Very low | 46 Ų | 46 | 127.3 Ų | 127.3 | 24% | 0.241 | 65% | 0.65 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -80.1 | 28 | 175.5 | -66.4 | 171.8 | 0 | 0 | 0 | 112.9 | R130 Y158 I202 | R130-L204 PolarHBondContact NH1-O 3.43Å; R130-L204 PolarHBondContact NH2-O 2.83Å; Y158-L204 HydrophobicContact CE2-CD1 3.97Å; I202-L204 VanDerWaalsContact C-N 3.28Å; I202-L204 HydrophobicContact CB-CG 4.25Å; I202-L204 HydrophobicContact CG2-CD2 3.76Å; I202-L204 HydrophobicContact CG2-CG 3.8Å; I202-L204 PolarHBondContact O-N 2.98Å |
| 205 | Q | 42 | Very low | 37.1 | Very low | 150 Ų | 150 | 130.2 Ų | 130.2 | 70% | 0.701 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.5 | -12.2 | 169.3 | -51.8 | -169.3 | -48.7 | 0 | 0 | 113.5 | D203 Y207 | D203-Q205 PolarHBondContact O-N 3.28Å; D203-Q205 VanDerWaalsContact O-N 3.14Å; D203-Q205 VanDerWaalsContact OD1-CB 3.25Å; D203-Q205 WeakPolarHBondContact OD1-CB 3.34Å; D203-Q205 PolarHBondContact OD1-N 3.34Å; Q205-Y207 PolarHBondContact O-N 2.93Å |
| 206 | L | 35.2 | Very low | 37.4 | Very low | 133 Ų | 133 | 122.4 Ų | 122.4 | 70% | 0.696 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -70.4 | 2.9 | -173.9 | -89.1 | 164.4 | 0 | 0 | 0 | 116.7 | D203 | D203-L206 HydrophobicContact CB-CD1 4.19Š|
| 207 | Y | 35.2 | Very low | 37.6 | Very low | 169 Ų | 169 | 126.9 Ų | 126.9 | 66% | 0.663 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -133.3 | 145 | 166.1 | -79.7 | -94 | 0 | 0 | 0 | 109.8 | Q205 | Q205-Y207 PolarHBondContact O-N 2.93Š|
| 208 | E | 34.8 | Very low | 37.7 | Very low | 119 Ų | 119 | 124.4 Ų | 124.4 | 56% | 0.556 | 63% | 0.629 | S | S | * | * | trans | 75.8 | 54.3 | -172.2 | -53.9 | -166.3 | 119.8 | 0 | 0 | 117.4 | H95 K131 N210 | H95-E208 IonicContact CE1-OE2 3.55Å; K131-E208 IonicContact NZ-OE2 2.99Å; E208-N210 PolarHBondContact O-N 3.13Å | ||
| 209 | H | 32.3 | Very low | 37.9 | Very low | 196 Ų | 196 | 121 Ų | 121 | 91% | 0.907 | 63% | 0.625 | S | S | * | * | trans | -74.6 | 109.5 | 152.3 | -104.4 | -48.5 | 0 | 0 | 0 | 110.3 | ||||
| 210 | N | 36.3 | Very low | 37.8 | Very low | 82 Ų | 82 | 121.5 Ų | 121.5 | 44% | 0.439 | 64% | 0.637 | S | S | . | * | trans | -125.3 | 115 | 169.3 | -177.2 | 46.6 | 0 | 0 | 0 | 108.7 | E208 H212 D213 | E208-N210 PolarHBondContact O-N 3.13Å; N210-H212 PolarHBondContact O-N 3.11Å; N210-D213 PolarHBondContact ND2-OD2 3.44Å; N210-D213 VanDerWaalsContact ND2-OD2 3.12Å | ||
| 211 | P | 34.8 | Very low | 37.6 | Very low | 118 Ų | 118 | 120.8 Ų | 120.8 | 77% | 0.766 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | 20 | -164.4 | -22.8 | 35.3 | 0 | 0 | 0 | 118.3 | ||
| 212 | H | 43.1 | Very low | 38 | Very low | 159 Ų | 159 | 120.3 Ų | 120.3 | 74% | 0.736 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.3 | -5.6 | -168.7 | -74.1 | -54.2 | 0 | 0 | 0 | 116.3 | N210 I214 | N210-H212 PolarHBondContact O-N 3.11Å; H212-I214 PolarHBondContact O-N 3.49Å |
| 213 | D | 41.2 | Very low | 38.4 | Very low | 110 Ų | 110 | 125.2 Ų | 125.2 | 59% | 0.588 | 68% | 0.678 | S | S | * | * | trans | -82.8 | 101.6 | 175.7 | -65.1 | -64.5 | 0 | 0 | 0 | 109.3 | N210 E215 | N210-D213 PolarHBondContact ND2-OD2 3.44Å; N210-D213 VanDerWaalsContact ND2-OD2 3.12Å; D213-E215 PolarHBondContact O-N 3.05Å | ||
| 214 | I | 41.8 | Very low | 39.2 | Very low | 164 Ų | 164 | 128.9 Ų | 128.9 | 84% | 0.841 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 120.1 | -178.8 | -59.6 | 175.2 | 0 | 0 | 0 | 109.6 | H212 | H212-I214 PolarHBondContact O-N 3.49Š|
| 215 | E | 37.7 | Very low | 40.4 | Very low | 165 Ų | 165 | 128 Ų | 128 | 77% | 0.771 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 128.4 | 174.3 | -66.8 | -169.3 | 133.2 | 0 | 0 | 111 | D213 | D213-E215 PolarHBondContact O-N 3.05Š|
| 216 | P | 38.4 | Very low | 42.1 | Very low | 63 Ų | 63 | 125.4 Ų | 125.4 | 41% | 0.409 | 69% | 0.686 | S | S | . | * | P | Polyproline II helix | trans | -70.6 | 137.2 | 168.9 | 29.7 | -32.6 | 0 | 0 | 0 | 109.9 | Y133 | Y133-P216 HydrophobicContact CD2-CG 4.16Å; Y133-P216 HydrophobicContact CE2-CG 4.22Å |
| 217 | E | 35.4 | Very low | 44.5 | Very low | 172 Ų | 172 | 120 Ų | 120 | 80% | 0.804 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 149.1 | 178.3 | -75.8 | -165.7 | 145.3 | 0 | 0 | 112.5 | V219 | E217-V219 PolarHBondContact O-N 3.31Š|
| 218 | P | 35.3 | Very low | 47 | Very low | 130 Ų | 130 | 113 Ų | 113 | 84% | 0.844 | 64% | 0.635 | S | S | * | * | trans | -69.2 | 88.2 | -172.3 | 28 | -36.3 | 0 | 0 | 0 | 112.6 | S220 | P218-S220 PolarHBondContact O-N 3.34Š| ||
| 219 | V | 35 | Very low | 49.4 | Very low | 139 Ų | 139 | 117.5 Ų | 117.5 | 84% | 0.842 | 65% | 0.652 | S | S | * | * | trans | -60.3 | 122.7 | 177.1 | -177.8 | 0 | 0 | 0 | 0 | 110.6 | E217 | E217-V219 PolarHBondContact O-N 3.31Š| ||
| 220 | S | 33.1 | Very low | 52.1 | Low | 102 Ų | 102 | 114.5 Ų | 114.5 | 71% | 0.713 | 64% | 0.642 | S | S | * | * | trans | -63.2 | 138.6 | -171.1 | 59.4 | 0 | 0 | 0 | 0 | 114.8 | P218 | P218-S220 PolarHBondContact O-N 3.34Š| ||
| 221 | A | 35.8 | Very low | 54.5 | Low | 88 Ų | 88 | 111 Ų | 111 | 73% | 0.727 | 62% | 0.624 | S | S | * | * | trans | 56.4 | 110.2 | 155.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | V223 | A221-V223 PolarHBondContact O-N 3.38Š| ||
| 222 | S | 44.2 | Very low | 56.8 | Low | 99 Ų | 99 | 106.9 Ų | 106.9 | 69% | 0.692 | 60% | 0.598 | S | S | * | * | trans | -61.7 | 108.3 | 172.8 | 50.4 | 0 | 0 | 0 | 0 | 112.2 | K224 | S222-K224 PolarHBondContact O-N 3.26Å; S222-K224 VanDerWaalsContact O-N 3.09Å | ||
| 223 | V | 50.5 | Low | 58.6 | Low | 135 Ų | 135 | 106.7 Ų | 106.7 | 82% | 0.818 | 59% | 0.594 | S | S | * | * | trans | -65 | 109.1 | 169.6 | 178.9 | 0 | 0 | 0 | 0 | 108.1 | A221 S225 | A221-V223 PolarHBondContact O-N 3.38Å; V223-S225 PolarHBondContact O-N 3.19Å | ||
| 224 | K | 56.3 | Low | 60.3 | Low | 168 Ų | 168 | 101.7 Ų | 101.7 | 73% | 0.73 | 57% | 0.568 | S | S | * | * | trans | -58.7 | 108.1 | 175.5 | -83.2 | -169.6 | 172.2 | -173.9 | 0 | 110.2 | S222 S226 | S222-K224 PolarHBondContact O-N 3.26Å; S222-K224 VanDerWaalsContact O-N 3.09Å; K224-S226 PolarHBondContact O-N 3.09Å; K224-S226 VanDerWaalsContact O-N 3.14Å | ||
| 225 | S | 69.4 | Low | 61.9 | Low | 26 Ų | 26 | 99.5 Ų | 99.5 | 18% | 0.182 | 56% | 0.558 | C | S | . | * | trans | -64.5 | 108.2 | 177 | 54.2 | 0 | 0 | 0 | 0 | 110.5 | Y165 V223 | Y165-S225 WeakPolarHBondContact CA-OG 3.44Å; Y165-S225 PolarHBondContact N-OG 2.92Å; Y165-S225 VanDerWaalsContact N-OG 3.12Å; V223-S225 PolarHBondContact O-N 3.19Å | ||
| 226 | S | 79.3 | Confident | 63.9 | Low | 97 Ų | 97 | 98.2 Ų | 98.2 | 68% | 0.678 | 56% | 0.556 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 125.1 | -172.4 | 60.1 | 0 | 0 | 0 | 0 | 112.8 | K224 | K224-S226 PolarHBondContact O-N 3.09Å; K224-S226 VanDerWaalsContact O-N 3.14Å |
| 227 | C | 85.2 | Confident | 66.1 | Low | 20 Ų | 20 | 99.6 Ų | 99.6 | 14% | 0.135 | 56% | 0.56 | C | S | . | * | P | Polyproline II helix | trans | -63.6 | 157.1 | 172.3 | -60.6 | 0 | 0 | 0 | 0 | 113.3 | K229 C240 | C227-K229 PolarHBondContact O-N 2.99Å; C227-C240 WeakPolarHBondContact CA-SG 3.45Å; C227-C240 HydrophobicContact CB-CB 3.69Å; C227-C240 WeakPolarHBondContact CB-SG 3.48Å; C227-C240 WeakPolarHBondContact SG-CB 3.19Å; C227-C240 PolarHBondContact SG-N 2.79Å; C227-C240 VanDerWaalsContact SG-N 3.4Å; C227-C240 CovalentContact SG-SG 2.03Å; C227-C240 PolarHBondContact SG-SG 3.2Å |
| 228 | S | 87.3 | Confident | 68.6 | Low | 21 Ų | 21 | 94 Ų | 94 | 15% | 0.147 | 54% | 0.538 | C | S | . | . | P | Polyproline II helix | trans | -57.1 | 137.3 | 170.5 | -177.6 | 0 | 0 | 0 | 0 | 111.9 | L230 C231 | S228-L230 PolarHBondContact O-N 3.29Å; S228-L230 PolarHBondContact OG-N 3.17Å; S228-C231 WeakPolarHBondContact O-CB 3.04Å; S228-C231 PolarHBondContact O-N 2.66Å; S228-C231 PolarHBondContact O-SG 2.87Å; S228-C231 VanDerWaalsContact O-SG 3.41Å |
| 229 | K | 85.4 | Confident | 71.2 | Confident | 213 Ų | 213 | 89.4 Ų | 89.4 | 93% | 0.926 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -10.1 | 174.1 | -65.6 | -179.3 | -179.7 | 176.4 | 0 | 113.5 | C227 | C227-K229 PolarHBondContact O-N 2.99Š|
| 230 | L | 88.3 | Confident | 73.9 | Confident | 133 Ų | 133 | 82.8 Ų | 82.8 | 70% | 0.696 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87 | -9.4 | 174.9 | -68.3 | 168.6 | 0 | 0 | 0 | 113.3 | S228 P245 | S228-L230 PolarHBondContact O-N 3.29Å; S228-L230 PolarHBondContact OG-N 3.17Å; L230-P245 HydrophobicContact CB-CB 4.3Å; L230-P245 HydrophobicContact CB-CG 4.45Å; L230-P245 HydrophobicContact CD1-CB 4.13Å; L230-P245 HydrophobicContact CD1-CG 3.7Å |
| 231 | C | 87.8 | Confident | 76.6 | Confident | 8 Ų | 8 | 78.3 Ų | 78.3 | 5% | 0.054 | 43% | 0.431 | C | S | . | . | S | Bend | trans | -68.5 | 142.2 | 177.6 | -61.2 | 0 | 0 | 0 | 0 | 112 | S228 C248 | S228-C231 WeakPolarHBondContact O-CB 3.04Å; S228-C231 PolarHBondContact O-N 2.66Å; S228-C231 PolarHBondContact O-SG 2.87Å; S228-C231 VanDerWaalsContact O-SG 3.41Å; C231-C248 WeakPolarHBondContact CA-SG 3.47Å; C231-C248 HydrophobicContact CB-CB 3.66Å; C231-C248 WeakPolarHBondContact CB-SG 3.18Å; C231-C248 VanDerWaalsContact SG-CA 3.54Å; C231-C248 WeakPolarHBondContact SG-CB 3.27Å; C231-C248 CovalentContact SG-SG 2.04Å; C231-C248 PolarHBondContact SG-SG 2.83Å |
| 232 | P | 83.4 | Confident | 79 | Confident | 33 Ų | 33 | 74.1 Ų | 74.1 | 21% | 0.214 | 40% | 0.397 | C | S | . | . | P | Polyproline II helix | trans | -64 | 143.5 | 176.8 | 28.5 | -34.7 | 0 | 0 | 0 | 110.9 | Y250 | P232-Y250 HydrophobicContact CG-CD1 4.01Å; P232-Y250 HydrophobicContact CG-CE1 4.07Å |
| 233 | K | 80.9 | Confident | 81.1 | Confident | 154 Ų | 154 | 73.3 Ų | 73.3 | 67% | 0.67 | 39% | 0.389 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 125 | 170.6 | -73 | -174.2 | 174.1 | -171.3 | 0 | 110.5 | N237 T238 | K233-N237 CarbonylContact C-O 3.59Å; K233-N237 VanDerWaalsContact CA-O 3.27Å; K233-N237 WeakPolarHBondContact CA-O 3.28Å; K233-T238 HydrophobicContact CG-CG2 4.07Å |
| 234 | I | 76.7 | Confident | 82.7 | Confident | 6 Ų | 6 | 69.1 Ų | 69.1 | 3% | 0.031 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 120 | 172.3 | -58.4 | 166 | 0 | 0 | 0 | 105.7 | N236 N237 Y239 Q251 | I234-N236 VanDerWaalsContact C-N 3.28Å; I234-N236 PolarHBondContact O-N 3.02Å; I234-N237 PolarHBondContact N-O 3.27Å; I234-N237 PolarHBondContact O-N 3.09Å; I234-N237 VanDerWaalsContact O-O 3.08Å; I234-Y239 HydrophobicContact CB-CD2 3.94Å; I234-Y239 HydrophobicContact CB-CE2 3.96Å; I234-Y239 HydrophobicContact CD1-CD2 4.14Å; I234-Y239 HydrophobicContact CG1-CD2 4.5Å; I234-Y239 HydrophobicContact CG2-CE2 4.33Å; I234-Q251 HydrophobicContact CD1-CG 3.6Å; I234-Q251 HydrophobicContact CG1-CG 3.84Å; I234-Q251 HydrophobicContact CG2-CG 4.18Å |
| 235 | N | 74.9 | Confident | 84.1 | Confident | 118 Ų | 118 | 63.9 Ų | 63.9 | 63% | 0.631 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48 | 48.7 | -176.7 | -59.3 | -17.8 | 0 | 0 | 0 | 112.9 | N237 | N235-N237 PolarHBondContact O-N 2.84Š|
| 236 | N | 79.4 | Confident | 84.9 | Confident | 138 Ų | 138 | 66.4 Ų | 66.4 | 74% | 0.738 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.6 | -15.4 | -173 | -70.2 | -31.6 | 0 | 0 | 0 | 117.8 | I234 | I234-N236 VanDerWaalsContact C-N 3.28Å; I234-N236 PolarHBondContact O-N 3.02Å |
| 237 | N | 84.1 | Confident | 85.3 | Confident | 92 Ų | 92 | 63.3 Ų | 63.3 | 49% | 0.492 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 157.5 | 178.3 | -68.2 | -31.1 | 0 | 0 | 0 | 112.3 | K233 I234 N235 Y239 | K233-N237 CarbonylContact C-O 3.59Å; K233-N237 VanDerWaalsContact CA-O 3.27Å; K233-N237 WeakPolarHBondContact CA-O 3.28Å; I234-N237 PolarHBondContact N-O 3.27Å; I234-N237 PolarHBondContact O-N 3.09Å; I234-N237 VanDerWaalsContact O-O 3.08Å; N235-N237 PolarHBondContact O-N 2.84Å; N237-Y239 HydrophobicContact CB-CD2 4.37Å; N237-Y239 HydrophobicContact CB-CE2 3.58Å; N237-Y239 PolarHBondContact ND2-OH 2.82Å |
| 238 | T | 88 | Confident | 85.5 | Confident | 54 Ų | 54 | 62.6 Ų | 62.6 | 33% | 0.331 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 132.5 | 170.5 | 51 | 0 | 0 | 0 | 0 | 109.8 | K233 | K233-T238 HydrophobicContact CG-CG2 4.07Å |
| 239 | Y | 90.6 | Very high | 85.6 | Confident | 34 Ų | 34 | 62 Ų | 62 | 13% | 0.133 | 33% | 0.333 | C | S | . | . | trans | -120.9 | 143.1 | -178.3 | -61 | -86.7 | 0 | 0 | 0 | 111 | S169 H171 I234 N237 Q249 | S169-Y239 CarbonylContact O-C 3.55Å; S169-Y239 VanDerWaalsContact O-CA 3.24Å; S169-Y239 WeakPolarHBondContact O-CA 3.37Å; S169-Y239 WeakPolarHBondContact O-CB 3.41Å; S169-Y239 WeakPolarHBondContact O-CD1 3.46Å; H171-Y239 HydrophobicContact CB-CD1 3.75Å; H171-Y239 HydrophobicContact CB-CD2 4.05Å; H171-Y239 HydrophobicContact CB-CE1 3.85Å; H171-Y239 HydrophobicContact CB-CE2 4.14Å; H171-Y239 HydrophobicContact CB-CG 3.84Å; H171-Y239 AromaticContact CD2-CZ 3.86Å; I234-Y239 HydrophobicContact CB-CD2 3.94Å; I234-Y239 HydrophobicContact CB-CE2 3.96Å; I234-Y239 HydrophobicContact CD1-CD2 4.14Å; I234-Y239 HydrophobicContact CG1-CD2 4.5Å; I234-Y239 HydrophobicContact CG2-CE2 4.33Å; N237-Y239 HydrophobicContact CB-CD2 4.37Å; N237-Y239 HydrophobicContact CB-CE2 3.58Å; N237-Y239 PolarHBondContact ND2-OH 2.82Å; Y239-Q249 PolarHBondContact O-N 2.82Å | ||
| 240 | C | 91.8 | Very high | 85.6 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 31% | 0.313 | C | S | . | . | B | Isolated β-bridge | trans | -160.8 | 153 | -173.8 | 62.7 | 0 | 0 | 0 | 0 | 112.4 | S169 I170 C227 G242 D247 | S169-C240 PolarHBondContact O-N 2.71Å; S169-C240 PolarHBondContact OG-O 3.08Å; I170-C240 WeakPolarHBondContact CD1-O 3.5Å; C227-C240 WeakPolarHBondContact CA-SG 3.45Å; C227-C240 HydrophobicContact CB-CB 3.69Å; C227-C240 WeakPolarHBondContact CB-SG 3.48Å; C227-C240 WeakPolarHBondContact SG-CB 3.19Å; C227-C240 PolarHBondContact SG-N 2.79Å; C227-C240 VanDerWaalsContact SG-N 3.4Å; C227-C240 CovalentContact SG-SG 2.03Å; C227-C240 PolarHBondContact SG-SG 3.2Å; C240-G242 WeakPolarHBondContact CB-O 3.44Å; C240-G242 PolarHBondContact SG-O 2.81Å; C240-G242 VanDerWaalsContact SG-O 3.36Å; C240-D247 CarbonylContact C-O 3.6Å; C240-D247 VanDerWaalsContact CA-O 3.28Å; C240-D247 WeakPolarHBondContact CA-O 3.07Å |
| 241 | W | 89.9 | Confident | 85.2 | Confident | 7 Ų | 7 | 55.9 Ų | 55.9 | 3% | 0.027 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -85.6 | -19.8 | 171.1 | -54.3 | 96.9 | 0 | 0 | 0 | 112.4 | H141 L144 H145 L147 Y165 L166 I170 L175 D247 | H141-W241 PolarHBondContact CE1-O 3.39Å; H141-W241 VanDerWaalsContact CE1-O 3.3Å; L144-W241 HydrophobicContact CB-CE3 3.89Å; L144-W241 HydrophobicContact CB-CH2 4.33Å; L144-W241 HydrophobicContact CB-CZ3 3.64Å; H145-W241 HydrophobicContact CB-CB 3.96Å; H145-W241 HydrophobicContact CB-CG 3.82Å; H145-W241 PolarHBondContact O-NE1 2.99Å; L147-W241 HydrophobicContact CB-CH2 4.14Å; L147-W241 HydrophobicContact CB-CZ2 4.47Å; L147-W241 HydrophobicContact CD2-CH2 4.36Å; Y165-W241 VanDerWaalsContact CB-O 3.28Å; Y165-W241 WeakPolarHBondContact CB-O 3.43Å; L166-W241 HydrophobicContact CD2-CE3 3.58Å; L166-W241 HydrophobicContact CD2-CZ3 3.63Å; I170-W241 HydrophobicContact CD1-CB 4.49Å; I170-W241 HydrophobicContact CD1-CD2 3.38Å; I170-W241 HydrophobicContact CD1-CE3 3.36Å; I170-W241 HydrophobicContact CD1-CG 3.9Å; I170-W241 HydrophobicContact CD1-CH2 4.15Å; I170-W241 HydrophobicContact CD1-CZ2 4.17Å; I170-W241 HydrophobicContact CD1-CZ3 3.75Å; I170-W241 HydrophobicContact CG1-CD2 4.45Å; I170-W241 HydrophobicContact CG1-CE3 3.97Å; I170-W241 HydrophobicContact CG1-CZ3 4Å; I170-W241 HydrophobicContact CG2-CH2 4.15Å; I170-W241 HydrophobicContact CG2-CZ3 4.36Å; L175-W241 HydrophobicContact CD1-CH2 3.88Å; L175-W241 HydrophobicContact CD1-CZ2 4.36Å; W241-D247 HydrophobicContact CB-CB 4.4Å; W241-D247 VanDerWaalsContact CD1-O 3.28Å; W241-D247 PolarHBondContact N-O 3.17Å |
| 242 | G | 86.7 | Confident | 85 | Confident | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.01 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -166.1 | -174.6 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113 | Y165 C240 D247 | Y165-G242 VanDerWaalsContact CE1-C 3.49Å; C240-G242 WeakPolarHBondContact CB-O 3.44Å; C240-G242 PolarHBondContact SG-O 2.81Å; C240-G242 VanDerWaalsContact SG-O 3.36Å; G242-D247 VanDerWaalsContact CA-OD2 3.3Å; G242-D247 WeakPolarHBondContact CA-OD2 3.34Å |
| 243 | P | 86.5 | Confident | 85 | Confident | 81 Ų | 81 | 56.7 Ų | 56.7 | 53% | 0.526 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -79.3 | -19.2 | -173.3 | 30.7 | -34 | 0 | 0 | 0 | 114.8 | Y165 D247 | Y165-P243 WeakPolarHBondContact OH-CB 3.49Å; P243-D247 WeakPolarHBondContact CD-OD2 3.02Å |
| 244 | S | 86 | Confident | 85 | Confident | 47 Ų | 47 | 50.9 Ų | 50.9 | 33% | 0.329 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -83.7 | 153 | -172.2 | 174 | 0 | 0 | 0 | 0 | 112.1 | S246 D247 | S244-S246 VanDerWaalsContact CB-OG 3.25Å; S244-S246 WeakPolarHBondContact CB-OG 3.47Å; S244-S246 PolarHBondContact O-N 2.9Å; S244-S246 VanDerWaalsContact O-N 3.16Å; S244-S246 PolarHBondContact OG-N 3.34Å; S244-S246 PolarHBondContact OG-OG 2.77Å; S244-D247 WeakPolarHBondContact CA-OD2 3.33Å; S244-D247 VanDerWaalsContact CB-OD2 3.26Å; S244-D247 WeakPolarHBondContact CB-OD2 3.36Å; S244-D247 PolarHBondContact N-OD2 2.04Å; S244-D247 WeakPolarHBondContact O-CB 3.42Å; S244-D247 PolarHBondContact O-N 2.91Å |
| 245 | P | 85.2 | Confident | 84.6 | Confident | 58 Ų | 58 | 59.2 Ų | 59.2 | 38% | 0.377 | 32% | 0.317 | S | S | . | . | G | 310 helix | trans | -59.2 | -19.3 | 171 | -22.7 | 34.3 | 0 | 0 | 0 | 114.6 | L230 D247 C248 | L230-P245 HydrophobicContact CB-CB 4.3Å; L230-P245 HydrophobicContact CB-CG 4.45Å; L230-P245 HydrophobicContact CD1-CB 4.13Å; L230-P245 HydrophobicContact CD1-CG 3.7Å; P245-D247 VanDerWaalsContact C-N 3.26Å; P245-C248 PolarHBondContact O-SG 3.38Å |
| 246 | S | 86 | Confident | 84.2 | Confident | 79 Ų | 79 | 57.7 Ų | 57.7 | 55% | 0.552 | 31% | 0.31 | S | S | * | . | G | 310 helix | trans | -66 | -28.3 | 169.3 | 44.2 | 0 | 0 | 0 | 0 | 113 | S244 C248 | S244-S246 VanDerWaalsContact CB-OG 3.25Å; S244-S246 WeakPolarHBondContact CB-OG 3.47Å; S244-S246 PolarHBondContact O-N 2.9Å; S244-S246 VanDerWaalsContact O-N 3.16Å; S244-S246 PolarHBondContact OG-N 3.34Å; S244-S246 PolarHBondContact OG-OG 2.77Å; S246-C248 VanDerWaalsContact C-N 3.35Å |
| 247 | D | 87.1 | Confident | 83.5 | Confident | 32 Ų | 32 | 59.7 Ų | 59.7 | 17% | 0.171 | 32% | 0.319 | C | S | . | . | G | 310 helix | trans | -95.5 | 4.1 | -164.7 | -39.4 | -18.7 | 0 | 0 | 0 | 111.6 | C240 W241 G242 P243 S244 P245 | C240-D247 CarbonylContact C-O 3.6Å; C240-D247 VanDerWaalsContact CA-O 3.28Å; C240-D247 WeakPolarHBondContact CA-O 3.07Å; W241-D247 HydrophobicContact CB-CB 4.4Å; W241-D247 VanDerWaalsContact CD1-O 3.28Å; W241-D247 PolarHBondContact N-O 3.17Å; G242-D247 VanDerWaalsContact CA-OD2 3.3Å; G242-D247 WeakPolarHBondContact CA-OD2 3.34Å; P243-D247 WeakPolarHBondContact CD-OD2 3.02Å; S244-D247 WeakPolarHBondContact CA-OD2 3.33Å; S244-D247 VanDerWaalsContact CB-OD2 3.26Å; S244-D247 WeakPolarHBondContact CB-OD2 3.36Å; S244-D247 PolarHBondContact N-OD2 2.04Å; S244-D247 WeakPolarHBondContact O-CB 3.42Å; S244-D247 PolarHBondContact O-N 2.91Å; P245-D247 VanDerWaalsContact C-N 3.26Å |
| 248 | C | 90.1 | Very high | 82.7 | Confident | 6 Ų | 6 | 62.7 Ų | 62.7 | 4% | 0.041 | 34% | 0.335 | C | S | . | . | B | Isolated β-bridge | trans | -64.6 | 137.1 | 179.1 | -60.4 | 0 | 0 | 0 | 0 | 111.5 | C231 P245 S246 Y250 | C231-C248 WeakPolarHBondContact CA-SG 3.47Å; C231-C248 HydrophobicContact CB-CB 3.66Å; C231-C248 WeakPolarHBondContact CB-SG 3.18Å; C231-C248 VanDerWaalsContact SG-CA 3.54Å; C231-C248 WeakPolarHBondContact SG-CB 3.27Å; C231-C248 CovalentContact SG-SG 2.04Å; C231-C248 PolarHBondContact SG-SG 2.83Å; P245-C248 PolarHBondContact O-SG 3.38Å; S246-C248 VanDerWaalsContact C-N 3.35Å; C248-Y250 HydrophobicContact CB-CE2 3.9Å; C248-Y250 WeakPolarHBondContact O-CD2 3.28Å; C248-Y250 VanDerWaalsContact O-CE2 3.31Å; C248-Y250 WeakPolarHBondContact O-CE2 3.39Å |
| 249 | Q | 89.5 | Confident | 82 | Confident | 8 Ų | 8 | 61.2 Ų | 61.2 | 4% | 0.037 | 33% | 0.326 | C | S | . | . | trans | -79.1 | 128.8 | 171.9 | -164.6 | -176.2 | 2.2 | 0 | 0 | 109.6 | H171 Y239 | H171-Q249 PolarHBondContact O-NE2 3Å; Y239-Q249 PolarHBondContact O-N 2.82Å | ||
| 250 | Y | 85 | Confident | 81.5 | Confident | 132 Ų | 132 | 65.4 Ų | 65.4 | 52% | 0.518 | 35% | 0.351 | S | S | . | . | trans | -109.4 | 142.1 | 177.2 | -66.7 | -91.1 | 0 | 0 | 0 | 110 | P232 C248 | P232-Y250 HydrophobicContact CG-CD1 4.01Å; P232-Y250 HydrophobicContact CG-CE1 4.07Å; C248-Y250 HydrophobicContact CB-CE2 3.9Å; C248-Y250 WeakPolarHBondContact O-CD2 3.28Å; C248-Y250 VanDerWaalsContact O-CE2 3.31Å; C248-Y250 WeakPolarHBondContact O-CE2 3.39Å | ||
| 251 | Q | 80.6 | Confident | 81.3 | Confident | 86 Ų | 86 | 65.9 Ų | 65.9 | 40% | 0.402 | 35% | 0.352 | S | S | . | . | trans | -72.9 | 145 | 171.8 | -65 | -172.1 | -82.9 | 0 | 0 | 111.4 | I234 | I234-Q251 HydrophobicContact CD1-CG 3.6Å; I234-Q251 HydrophobicContact CG1-CG 3.84Å; I234-Q251 HydrophobicContact CG2-CG 4.18Å | ||
| 252 | S | 82.9 | Confident | 81.1 | Confident | 16 Ų | 16 | 66 Ų | 66 | 11% | 0.112 | 35% | 0.354 | C | S | . | . | trans | -130.3 | -27.2 | -177.8 | 65.9 | 0 | 0 | 0 | 0 | 111.7 | E174 R261 C262 G278 | E174-S252 WeakPolarHBondContact OE1-CA 3.38Å; E174-S252 PolarHBondContact OE1-N 3.38Å; E174-S252 PolarHBondContact OE1-OG 3.09Å; S252-R261 CarbonylContact O-C 3.03Å; S252-R261 WeakPolarHBondContact O-CA 3.5Å; S252-R261 PolarHBondContact OG-NH1 2.76Å; S252-C262 PolarHBondContact O-N 3.12Å; S252-G278 WeakPolarHBondContact CB-O 3.43Å; S252-G278 PolarHBondContact OG-O 2.85Å | ||
| 253 | K | 83.4 | Confident | 81 | Confident | 42 Ų | 42 | 68.6 Ų | 68.6 | 18% | 0.183 | 37% | 0.368 | C | S | . | . | B | Isolated β-bridge | trans | -72.5 | 142.3 | 168.5 | -67.1 | -179.1 | 174.1 | 179.6 | 0 | 110.8 | T173 E174 F176 N260 R261 | T173-K253 PolarHBondContact O-NZ 3.38Å; E174-K253 VanDerWaalsContact O-CE 3.25Å; E174-K253 WeakPolarHBondContact O-CE 3.49Å; E174-K253 PolarHBondContact OE1-N 2.89Å; F176-K253 WeakPolarHBondContact O-CE 3.22Å; F176-K253 PolarHBondContact O-NZ 2.82Å; K253-N260 WeakPolarHBondContact CA-O 3.28Å; K253-R261 VanDerWaalsContact CE-NH2 3.31Å |
| 254 | C | 80.2 | Confident | 80.6 | Confident | 32 Ų | 32 | 71.6 Ų | 71.6 | 22% | 0.216 | 37% | 0.368 | C | S | . | . | trans | -93.1 | 159.1 | 174.9 | -42.5 | 0 | 0 | 0 | 0 | 111.8 | N256 C259 N260 C262 | C254-N256 VanDerWaalsContact C-N 3.34Å; C254-C259 WeakPolarHBondContact CB-O 3.23Å; C254-C259 PolarHBondContact SG-O 2.76Å; C254-N260 PolarHBondContact N-O 3.43Å; C254-C262 WeakPolarHBondContact CA-SG 3.12Å; C254-C262 HydrophobicContact CB-CB 4.45Å; C254-C262 WeakPolarHBondContact CB-SG 3.35Å; C254-C262 WeakPolarHBondContact SG-CB 3.34Å; C254-C262 PolarHBondContact SG-N 3.46Å; C254-C262 CovalentContact SG-SG 2.03Å; C254-C262 PolarHBondContact SG-SG 2.94Å | ||
| 255 | Q | 70 | Confident | 80 | Confident | 180 Ų | 180 | 72.6 Ų | 72.6 | 84% | 0.841 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -86.8 | -6.2 | 164.6 | -66.4 | 176.7 | -20.2 | 0 | 0 | 112.7 | ||
| 256 | N | 65.7 | Low | 79.2 | Confident | 87 Ų | 87 | 81.5 Ų | 81.5 | 47% | 0.465 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -95.5 | 119.2 | -178.3 | -179.9 | 1 | 0 | 0 | 0 | 110.4 | C254 L258 C259 | C254-N256 VanDerWaalsContact C-N 3.34Å; N256-L258 PolarHBondContact O-N 2.99Å; N256-L258 PolarHBondContact OD1-N 3.15Å; N256-L258 VanDerWaalsContact OD1-N 3.13Å; N256-C259 PolarHBondContact O-N 3.09Å; N256-C259 VanDerWaalsContact O-O 3.06Å |
| 257 | L | 63.5 | Low | 78.4 | Confident | 180 Ų | 180 | 84.6 Ų | 84.6 | 94% | 0.942 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -23 | -179 | -83.4 | 74.1 | 0 | 0 | 0 | 114.1 | C259 | L257-C259 PolarHBondContact O-N 3.04Š|
| 258 | L | 69 | Low | 77.7 | Confident | 155 Ų | 155 | 86.2 Ų | 86.2 | 81% | 0.812 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | -15.3 | 178.1 | -70.4 | 167 | 0 | 0 | 0 | 113.9 | N256 | N256-L258 PolarHBondContact O-N 2.99Å; N256-L258 PolarHBondContact OD1-N 3.15Å; N256-L258 VanDerWaalsContact OD1-N 3.13Å |
| 259 | C | 73 | Confident | 77 | Confident | 23 Ų | 23 | 92.9 Ų | 92.9 | 16% | 0.155 | 45% | 0.445 | C | S | . | . | trans | -142.9 | 114.6 | -174.3 | -58.3 | 0 | 0 | 0 | 0 | 110.9 | C254 N256 L257 C271 | C254-C259 WeakPolarHBondContact CB-O 3.23Å; C254-C259 PolarHBondContact SG-O 2.76Å; N256-C259 PolarHBondContact O-N 3.09Å; N256-C259 VanDerWaalsContact O-O 3.06Å; L257-C259 PolarHBondContact O-N 3.04Å; C259-C271 HydrophobicContact CB-CB 3.63Å; C259-C271 WeakPolarHBondContact CB-SG 3.39Å; C259-C271 WeakPolarHBondContact SG-CB 3.06Å; C259-C271 CovalentContact SG-SG 2.02Å; C259-C271 PolarHBondContact SG-SG 2.99Å | ||
| 260 | N | 79.2 | Confident | 76.7 | Confident | 122 Ų | 122 | 94.1 Ų | 94.1 | 65% | 0.652 | 46% | 0.455 | S | S | * | . | S | Bend | trans | -70.2 | -39.5 | -178 | -164.6 | 8.5 | 0 | 0 | 0 | 112.4 | K253 C254 | K253-N260 WeakPolarHBondContact CA-O 3.28Å; C254-N260 PolarHBondContact N-O 3.43Å |
| 261 | R | 87.5 | Confident | 76.9 | Confident | 9 Ų | 9 | 90 Ų | 90 | 3% | 0.034 | 45% | 0.445 | C | S | . | . | B | Isolated β-bridge | trans | -127.6 | 147.5 | 176.3 | -59.5 | -71.9 | 177.9 | 158.9 | -6.4 | 111.3 | E174 E177 S252 K253 C272 | E174-R261 PolarHBondContact O-NH1 3.43Å; E177-R261 IonicContact OE1-CZ 2.78Å; E177-R261 IonicContact OE1-NH2 2.73Å; E177-R261 PolarHBondContact OE1-NH2 2.71Å; E177-R261 IonicContact OE2-CZ 3.52Å; E177-R261 IonicContact OE2-NE 2.7Å; E177-R261 IonicContact OE2-NH2 2.68Å; E177-R261 PolarHBondContact OE2-NH2 3.24Å; S252-R261 CarbonylContact O-C 3.03Å; S252-R261 WeakPolarHBondContact O-CA 3.5Å; S252-R261 PolarHBondContact OG-NH1 2.76Å; K253-R261 VanDerWaalsContact CE-NH2 3.31Å; R261-C272 HydrophobicContact CB-CB 4.13Å; R261-C272 WeakPolarHBondContact O-CB 3.44Å; R261-C272 PolarHBondContact O-N 3.43Å |
| 262 | C | 86.2 | Confident | 77.4 | Confident | 9 Ų | 9 | 86.8 Ų | 86.8 | 6% | 0.061 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 157.1 | 179.4 | 39.9 | 0 | 0 | 0 | 0 | 113.1 | S252 C254 Y269 S270 | S252-C262 PolarHBondContact O-N 3.12Å; C254-C262 WeakPolarHBondContact CA-SG 3.12Å; C254-C262 HydrophobicContact CB-CB 4.45Å; C254-C262 WeakPolarHBondContact CB-SG 3.35Å; C254-C262 WeakPolarHBondContact SG-CB 3.34Å; C254-C262 PolarHBondContact SG-N 3.46Å; C254-C262 CovalentContact SG-SG 2.03Å; C254-C262 PolarHBondContact SG-SG 2.94Å; C262-Y269 HydrophobicContact CB-CD1 4.49Å; C262-S270 CarbonylContact C-O 3.48Å; C262-S270 WeakPolarHBondContact CA-O 3.4Å; C262-S270 WeakPolarHBondContact CB-O 3.07Å |
| 263 | L | 84.5 | Confident | 77.7 | Confident | 56 Ų | 56 | 89.2 Ų | 89.2 | 29% | 0.293 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 132.1 | 171.4 | 179.1 | 63.6 | 0 | 0 | 0 | 110.2 | I265 S270 T281 | L263-I265 HydrophobicContact CD2-CD1 3.93Å; L263-I265 HydrophobicContact CD2-CG1 3.9Å; L263-I265 HydrophobicContact CG-CD1 4.32Å; L263-I265 HydrophobicContact CG-CG1 3.87Å; L263-I265 PolarHBondContact O-N 2.89Å; L263-S270 PolarHBondContact N-O 3.22Å; L263-S270 PolarHBondContact O-N 3.06Å; L263-T281 VanDerWaalsContact CD2-O 3.3Å; L263-T281 WeakPolarHBondContact CD2-O 3.46Å |
| 264 | R | 78 | Confident | 78 | Confident | 144 Ų | 144 | 94 Ų | 94 | 54% | 0.543 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 101.8 | 177.4 | -164.9 | -176 | 75.2 | 160 | 3.8 | 111.3 | S268 Y269 | R264-S268 CarbonylContact C-O 3.55Å; R264-S268 WeakPolarHBondContact CA-O 3.41Å; R264-Y269 HydrophobicContact CB-CD1 4.21Å; R264-Y269 HydrophobicContact CB-CE1 4.05Å; R264-Y269 HydrophobicContact CG-CD1 4.3Å; R264-Y269 HydrophobicContact CG-CE1 3.98Å |
| 265 | I | 73.4 | Confident | 78.6 | Confident | 69 Ų | 69 | 93.2 Ų | 93.2 | 35% | 0.354 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 114.3 | -179 | -55.9 | 170.8 | 0 | 0 | 0 | 109.6 | L263 N267 S268 | L263-I265 HydrophobicContact CD2-CD1 3.93Å; L263-I265 HydrophobicContact CD2-CG1 3.9Å; L263-I265 HydrophobicContact CG-CD1 4.32Å; L263-I265 HydrophobicContact CG-CG1 3.87Å; L263-I265 PolarHBondContact O-N 2.89Å; I265-N267 VanDerWaalsContact C-N 3.35Å; I265-N267 PolarHBondContact O-N 3.14Å; I265-S268 PolarHBondContact N-O 3.11Å; I265-S268 WeakPolarHBondContact O-CA 3.2Å; I265-S268 WeakPolarHBondContact O-CB 3.03Å; I265-S268 PolarHBondContact O-N 3.08Å; I265-S268 PolarHBondContact O-OG 3.18Å |
| 266 | R | 68.4 | Low | 79.7 | Confident | 244 Ų | 244 | 85.2 Ų | 85.2 | 92% | 0.921 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.6 | 50.7 | 172.9 | -59.1 | -179.8 | -179.6 | 178.7 | 0.4 | 113.6 | S268 | R266-S268 PolarHBondContact O-N 2.84Å; R266-S268 VanDerWaalsContact O-N 3.17Å |
| 267 | N | 68.4 | Low | 80.8 | Confident | 144 Ų | 144 | 81.5 Ų | 81.5 | 77% | 0.77 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.1 | -2 | -174.2 | -64.1 | -6.8 | 0 | 0 | 0 | 117.1 | I265 | I265-N267 VanDerWaalsContact C-N 3.35Å; I265-N267 PolarHBondContact O-N 3.14Å |
| 268 | S | 72.3 | Confident | 81.9 | Confident | 66 Ų | 66 | 73 Ų | 73 | 46% | 0.462 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 157.9 | 163.2 | 72.9 | 0 | 0 | 0 | 0 | 111.2 | R264 I265 R266 | R264-S268 CarbonylContact C-O 3.55Å; R264-S268 WeakPolarHBondContact CA-O 3.41Å; I265-S268 PolarHBondContact N-O 3.11Å; I265-S268 WeakPolarHBondContact O-CA 3.2Å; I265-S268 WeakPolarHBondContact O-CB 3.03Å; I265-S268 PolarHBondContact O-N 3.08Å; I265-S268 PolarHBondContact O-OG 3.18Å; R266-S268 PolarHBondContact O-N 2.84Å; R266-S268 VanDerWaalsContact O-N 3.17Å |
| 269 | Y | 76.9 | Confident | 82.8 | Confident | 146 Ų | 146 | 65.8 Ų | 65.8 | 57% | 0.573 | 32% | 0.32 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 119.1 | 168.7 | -70.6 | -90.2 | 0 | 0 | 0 | 108.7 | C262 R264 | C262-Y269 HydrophobicContact CB-CD1 4.49Å; R264-Y269 HydrophobicContact CB-CD1 4.21Å; R264-Y269 HydrophobicContact CB-CE1 4.05Å; R264-Y269 HydrophobicContact CG-CD1 4.3Å; R264-Y269 HydrophobicContact CG-CE1 3.98Å |
| 270 | S | 83.4 | Confident | 83.6 | Confident | 34 Ų | 34 | 65.2 Ų | 65.2 | 24% | 0.238 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 129.2 | 169.6 | -176.6 | 0 | 0 | 0 | 0 | 108.8 | C262 L263 | C262-S270 CarbonylContact C-O 3.48Å; C262-S270 WeakPolarHBondContact CA-O 3.4Å; C262-S270 WeakPolarHBondContact CB-O 3.07Å; L263-S270 PolarHBondContact N-O 3.22Å; L263-S270 PolarHBondContact O-N 3.06Å |
| 271 | C | 88.4 | Confident | 84.1 | Confident | 47 Ų | 47 | 64.4 Ų | 64.4 | 32% | 0.318 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 146.9 | 176.1 | -55.4 | 0 | 0 | 0 | 0 | 111.4 | C259 | C259-C271 HydrophobicContact CB-CB 3.63Å; C259-C271 WeakPolarHBondContact CB-SG 3.39Å; C259-C271 WeakPolarHBondContact SG-CB 3.06Å; C259-C271 CovalentContact SG-SG 2.02Å; C259-C271 PolarHBondContact SG-SG 2.99Å |
| 272 | C | 90.4 | Very high | 84 | Confident | 18 Ų | 18 | 64.2 Ų | 64.2 | 12% | 0.122 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -81.9 | 162.1 | 169 | -60.5 | 0 | 0 | 0 | 0 | 110.5 | R261 C276 C280 | R261-C272 HydrophobicContact CB-CB 4.13Å; R261-C272 WeakPolarHBondContact O-CB 3.44Å; R261-C272 PolarHBondContact O-N 3.43Å; C272-C276 HydrophobicContact CB-CB 3.98Å; C272-C280 WeakPolarHBondContact CA-SG 2.9Å; C272-C280 HydrophobicContact CB-CB 3.62Å; C272-C280 WeakPolarHBondContact CB-SG 3.3Å; C272-C280 WeakPolarHBondContact SG-CB 3.46Å; C272-C280 PolarHBondContact SG-N 3Å; C272-C280 VanDerWaalsContact SG-N 3.36Å; C272-C280 CovalentContact SG-SG 2.03Å; C272-C280 PolarHBondContact SG-SG 3.04Å |
| 273 | H | 90.3 | Very high | 84.1 | Confident | 67 Ų | 67 | 67.1 Ų | 67.1 | 31% | 0.31 | 34% | 0.336 | S | S | . | . | P | Polyproline II helix | trans | -59.8 | 145.7 | 168.3 | -163.8 | -106.3 | 0 | 0 | 0 | 110.6 | Q275 C276 P283 A285 | H273-Q275 PolarHBondContact ND1-N 2.73Å; H273-Q275 PolarHBondContact O-N 3.11Å; H273-Q275 VanDerWaalsContact O-N 3.14Å; H273-C276 VanDerWaalsContact O-CB 3.23Å; H273-C276 WeakPolarHBondContact O-CB 3.23Å; H273-C276 PolarHBondContact O-N 3.47Å; H273-C276 PolarHBondContact O-SG 3.02Å; H273-P283 PolarHBondContact N-O 2.71Å; H273-A285 HydrophobicContact CB-CB 4.44Å |
| 274 | E | 90.2 | Very high | 84.4 | Confident | 142 Ų | 142 | 69.2 Ų | 69.2 | 66% | 0.664 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -25.9 | 179.5 | 46.6 | 147.8 | -119.9 | 0 | 0 | 114.1 | C276 | E274-C276 VanDerWaalsContact C-N 3.3Å; E274-C276 PolarHBondContact O-N 3.5Å |
| 275 | Q | 92.4 | Very high | 85 | Confident | 16 Ų | 16 | 63.2 Ų | 63.2 | 8% | 0.075 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | 6.4 | 175.7 | -56.1 | -60.4 | -34 | 0 | 0 | 113.6 | H273 K292 C300 | H273-Q275 PolarHBondContact ND1-N 2.73Å; H273-Q275 PolarHBondContact O-N 3.11Å; H273-Q275 VanDerWaalsContact O-N 3.14Å; Q275-K292 WeakPolarHBondContact O-CB 3.44Å; Q275-K292 PolarHBondContact O-N 3.41Å; Q275-C300 HydrophobicContact CB-CB 3.96Å; Q275-C300 WeakPolarHBondContact O-CB 3.37Å |
| 276 | C | 91.8 | Very high | 85.8 | Confident | 11 Ų | 11 | 63.2 Ų | 63.2 | 7% | 0.074 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 130.6 | 175.6 | -62.9 | 0 | 0 | 0 | 0 | 112.4 | C272 H273 E274 C288 | C272-C276 HydrophobicContact CB-CB 3.98Å; H273-C276 VanDerWaalsContact O-CB 3.23Å; H273-C276 WeakPolarHBondContact O-CB 3.23Å; H273-C276 PolarHBondContact O-N 3.47Å; H273-C276 PolarHBondContact O-SG 3.02Å; E274-C276 VanDerWaalsContact C-N 3.3Å; E274-C276 PolarHBondContact O-N 3.5Å; C276-C288 WeakPolarHBondContact CA-SG 3.09Å; C276-C288 HydrophobicContact CB-CB 3.55Å; C276-C288 WeakPolarHBondContact CB-SG 2.8Å; C276-C288 WeakPolarHBondContact SG-CA 3.37Å; C276-C288 WeakPolarHBondContact SG-CB 3.21Å; C276-C288 CovalentContact SG-SG 2.03Å; C276-C288 PolarHBondContact SG-SG 2.74Å |
| 277 | L | 89.5 | Confident | 86.9 | Confident | 9 Ų | 9 | 54.5 Ų | 54.5 | 5% | 0.047 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 137 | 174.6 | -169.7 | 66.1 | 0 | 0 | 0 | 110.3 | V108 V151 E177 G279 S290 | V108-L277 HydrophobicContact CG1-CD2 3.76Å; V108-L277 HydrophobicContact CG2-CD2 4.03Å; V151-L277 HydrophobicContact CG2-CD1 4.28Å; V151-L277 HydrophobicContact CG2-CD2 3.75Å; E177-L277 HydrophobicContact CG-CD1 4.02Å; E177-L277 VanDerWaalsContact OE1-CD1 3.26Å; E177-L277 WeakPolarHBondContact OE1-CD1 3.42Å; L277-G279 PolarHBondContact O-N 3.01Å; L277-S290 PolarHBondContact N-O 3.34Å; L277-S290 PolarHBondContact O-N 2.66Å |
| 278 | G | 86.3 | Confident | 88 | Confident | 2 Ų | 2 | 48.7 Ų | 48.7 | 2% | 0.021 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 67.3 | -16.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | K148 S252 | K148-G278 WeakPolarHBondContact CB-O 3.47Å; S252-G278 WeakPolarHBondContact CB-O 3.43Å; S252-G278 PolarHBondContact OG-O 2.85Å |
| 279 | G | 88 | Confident | 88.8 | Confident | 4 Ų | 4 | 47.1 Ų | 47.1 | 4% | 0.041 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 144 | -167.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114 | L277 V289 | L277-G279 PolarHBondContact O-N 3.01Å; G279-V289 PolarHBondContact O-N 2.78Å |
| 280 | C | 90.4 | Very high | 89.4 | Confident | 10 Ų | 10 | 41 Ų | 41 | 7% | 0.068 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 162.1 | -178.3 | 62.5 | 0 | 0 | 0 | 0 | 112.9 | C272 G282 Q287 | C272-C280 WeakPolarHBondContact CA-SG 2.9Å; C272-C280 HydrophobicContact CB-CB 3.62Å; C272-C280 WeakPolarHBondContact CB-SG 3.3Å; C272-C280 WeakPolarHBondContact SG-CB 3.46Å; C272-C280 PolarHBondContact SG-N 3Å; C272-C280 VanDerWaalsContact SG-N 3.36Å; C272-C280 CovalentContact SG-SG 2.03Å; C272-C280 PolarHBondContact SG-SG 3.04Å; C280-G282 VanDerWaalsContact CB-O 3.26Å; C280-G282 WeakPolarHBondContact CB-O 3.23Å; C280-G282 PolarHBondContact SG-O 2.97Å; C280-Q287 CarbonylContact C-O 3.54Å; C280-Q287 WeakPolarHBondContact CA-O 3.45Å; C280-Q287 VanDerWaalsContact CB-O 3.29Å; C280-Q287 WeakPolarHBondContact CB-O 3Å |
| 281 | T | 89.3 | Confident | 89.7 | Confident | 105 Ų | 105 | 39.6 Ų | 39.6 | 64% | 0.644 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -95.1 | -6.6 | 168.3 | 57.8 | 0 | 0 | 0 | 0 | 112.9 | L263 Q287 | L263-T281 VanDerWaalsContact CD2-O 3.3Å; L263-T281 WeakPolarHBondContact CD2-O 3.46Å; T281-Q287 PolarHBondContact N-O 3.09Å; T281-Q287 PolarHBondContact OG1-O 2.89Å |
| 282 | G | 86.7 | Confident | 89.7 | Confident | 5 Ų | 5 | 42 Ų | 42 | 5% | 0.052 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -178.4 | 179.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | C280 L284 Q287 | C280-G282 VanDerWaalsContact CB-O 3.26Å; C280-G282 WeakPolarHBondContact CB-O 3.23Å; C280-G282 PolarHBondContact SG-O 2.97Å; G282-L284 VanDerWaalsContact C-N 3.32Å; G282-L284 PolarHBondContact O-N 3.05Å; G282-Q287 VanDerWaalsContact CA-OE1 3.24Å |
| 283 | P | 88.1 | Confident | 89.7 | Confident | 71 Ų | 71 | 44.2 Ų | 44.2 | 46% | 0.461 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -75.8 | -10.8 | -170.1 | 31 | -37 | 0 | 0 | 0 | 115.2 | H273 | H273-P283 PolarHBondContact N-O 2.71Š|
| 284 | L | 90.8 | Very high | 89.6 | Confident | 99 Ų | 99 | 41.4 Ų | 41.4 | 52% | 0.518 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -82.5 | 153.2 | -174.2 | -58.7 | 176.4 | 0 | 0 | 0 | 113 | G282 S286 Q287 | G282-L284 VanDerWaalsContact C-N 3.32Å; G282-L284 PolarHBondContact O-N 3.05Å; L284-S286 PolarHBondContact O-N 2.88Å; L284-S286 VanDerWaalsContact O-N 3.13Å; L284-Q287 HydrophobicContact CB-CB 4.41Å; L284-Q287 HydrophobicContact CB-CG 4.05Å; L284-Q287 VanDerWaalsContact N-OE1 3.09Å; L284-Q287 WeakPolarHBondContact O-CB 3.27Å; L284-Q287 PolarHBondContact O-N 3.1Å |
| 285 | A | 89.6 | Confident | 89.6 | Confident | 19 Ų | 19 | 38 Ų | 38 | 16% | 0.157 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -20.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | H273 C288 T299 C300 | H273-A285 HydrophobicContact CB-CB 4.44Å; A285-C288 PolarHBondContact O-SG 2.69Å; A285-T299 HydrophobicContact CB-CG2 3.68Å; A285-C300 WeakPolarHBondContact O-CB 3.46Å; A285-C300 PolarHBondContact O-N 2.66Å |
| 286 | S | 91.1 | Very high | 89.5 | Confident | 69 Ų | 69 | 38.4 Ų | 38.4 | 48% | 0.483 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91 | 2.5 | 174.1 | 53.4 | 0 | 0 | 0 | 0 | 114.1 | L284 G298 | L284-S286 PolarHBondContact O-N 2.88Å; L284-S286 VanDerWaalsContact O-N 3.13Å; S286-G298 WeakPolarHBondContact CA-O 3.45Å; S286-G298 WeakPolarHBondContact CB-O 3.04Å |
| 287 | Q | 91.6 | Very high | 89.1 | Confident | 61 Ų | 61 | 42.1 Ų | 42.1 | 29% | 0.285 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -113.8 | 12.4 | -178.3 | -66.8 | 174.9 | -37 | 0 | 0 | 112.4 | C280 T281 G282 L284 | C280-Q287 CarbonylContact C-O 3.54Å; C280-Q287 WeakPolarHBondContact CA-O 3.45Å; C280-Q287 VanDerWaalsContact CB-O 3.29Å; C280-Q287 WeakPolarHBondContact CB-O 3Å; T281-Q287 PolarHBondContact N-O 3.09Å; T281-Q287 PolarHBondContact OG1-O 2.89Å; G282-Q287 VanDerWaalsContact CA-OE1 3.24Å; L284-Q287 HydrophobicContact CB-CB 4.41Å; L284-Q287 HydrophobicContact CB-CG 4.05Å; L284-Q287 VanDerWaalsContact N-OE1 3.09Å; L284-Q287 WeakPolarHBondContact O-CB 3.27Å; L284-Q287 PolarHBondContact O-N 3.1Å |
| 288 | C | 91 | Very high | 88.9 | Confident | 22 Ų | 22 | 43.2 Ų | 43.2 | 15% | 0.149 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 153.2 | 175.8 | -55.1 | 0 | 0 | 0 | 0 | 112.6 | C276 A285 S290 C300 | C276-C288 WeakPolarHBondContact CA-SG 3.09Å; C276-C288 HydrophobicContact CB-CB 3.55Å; C276-C288 WeakPolarHBondContact CB-SG 2.8Å; C276-C288 WeakPolarHBondContact SG-CA 3.37Å; C276-C288 WeakPolarHBondContact SG-CB 3.21Å; C276-C288 CovalentContact SG-SG 2.03Å; C276-C288 PolarHBondContact SG-SG 2.74Å; A285-C288 PolarHBondContact O-SG 2.69Å; C288-S290 WeakPolarHBondContact CB-O 3.14Å; C288-C300 VanDerWaalsContact CB-SG 3.54Å |
| 289 | V | 88.2 | Confident | 89.1 | Confident | 33 Ų | 33 | 45.7 Ų | 45.7 | 20% | 0.2 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | -41.7 | 175.1 | 172.8 | 0 | 0 | 0 | 0 | 111.6 | R107 K148 G279 | R107-V289 HydrophobicContact CB-CG1 4.27Å; R107-V289 WeakPolarHBondContact CD-O 3.47Å; R107-V289 HydrophobicContact CG-CG1 4.31Å; R107-V289 PolarHBondContact NH1-O 3.05Å; K148-V289 HydrophobicContact CG-CG1 3.93Å; G279-V289 PolarHBondContact O-N 2.78Å |
| 290 | S | 89.1 | Confident | 89.3 | Confident | 18 Ų | 18 | 45.9 Ų | 45.9 | 13% | 0.126 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 171.1 | 159.9 | -175.3 | 0 | 0 | 0 | 0 | 108.8 | E86 V108 L277 C288 | E86-S290 PolarHBondContact OE2-OG 2.91Å; E86-S290 VanDerWaalsContact OE2-OG 3.05Å; V108-S290 VanDerWaalsContact CG2-CB 3.43Å; L277-S290 PolarHBondContact N-O 3.34Å; L277-S290 PolarHBondContact O-N 2.66Å; C288-S290 WeakPolarHBondContact CB-O 3.14Å |
| 291 | C | 90.9 | Very high | 89.4 | Confident | 4 Ų | 4 | 46.9 Ų | 46.9 | 3% | 0.027 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 142.7 | -179.3 | -56.3 | 0 | 0 | 0 | 0 | 112 | R110 C300 | R110-C291 PolarHBondContact NH1-O 3.1Å; R110-C291 PolarHBondContact NH2-O 3.37Å; C291-C300 WeakPolarHBondContact CA-SG 3.46Å; C291-C300 HydrophobicContact CB-CB 3.53Å; C291-C300 WeakPolarHBondContact CB-SG 3.24Å; C291-C300 WeakPolarHBondContact SG-CA 3.14Å; C291-C300 WeakPolarHBondContact SG-CB 3.5Å; C291-C300 CovalentContact SG-SG 2.03Å; C291-C300 PolarHBondContact SG-SG 3Å |
| 292 | K | 89.1 | Confident | 89.3 | Confident | 97 Ų | 97 | 43.5 Ų | 43.5 | 42% | 0.422 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -66.8 | -65 | 175.6 | -170.4 | -165.7 | 172.4 | -130.4 | 0 | 110.5 | R110 Q275 | R110-K292 PolarHBondContact NH1-O 2.83Å; Q275-K292 WeakPolarHBondContact O-CB 3.44Å; Q275-K292 PolarHBondContact O-N 3.41Å |
| 293 | E | 88.6 | Confident | 89.5 | Confident | 64 Ų | 64 | 47.3 Ų | 47.3 | 30% | 0.299 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -91.6 | -79.7 | 178 | -47.6 | -54.5 | 152.5 | 0 | 0 | 111.4 | ||
| 294 | Y | 89.7 | Confident | 89.6 | Confident | 8 Ų | 8 | 44.3 Ų | 44.3 | 3% | 0.031 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 143.2 | -175 | -60.8 | -91.5 | 0 | 0 | 0 | 114.4 | C300 V301 A302 C304 R324 G326 N327 A1734 S1735 | Y294-C300 WeakPolarHBondContact O-CA 3.34Å; Y294-V301 PolarHBondContact N-O 3Å; Y294-V301 PolarHBondContact O-N 2.96Å; Y294-A302 VanDerWaalsContact CD2-O 3.26Å; Y294-A302 WeakPolarHBondContact CD2-O 3.35Å; Y294-A302 WeakPolarHBondContact CE2-O 3.18Å; Y294-C304 VanDerWaalsContact CD1-SG 3.56Å; Y294-R324 HydrophobicContact CE1-CB 4.4Å; Y294-R324 HydrophobicContact CE1-CG 4.12Å; Y294-G326 WeakPolarHBondContact CE1-O 3.22Å; Y294-N327 CarbonylContact C-O 3.47Å; Y294-N327 VanDerWaalsContact CA-O 3.32Å; Y294-N327 WeakPolarHBondContact CA-O 3.48Å; Y294-A1734 WeakPolarHBondContact OH-CB 3.45Å; Y294-S1735 PolarHBondContact OH-OG 3.02Å |
| 295 | Y | 89.4 | Confident | 89.5 | Confident | 70 Ų | 70 | 41 Ų | 41 | 28% | 0.275 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 120.3 | 166.1 | 176.9 | -85.9 | 0 | 0 | 0 | 110.5 | V25 G298 N327 L328 C329 | V25-Y295 HydrophobicContact CG2-CD1 4.35Å; V25-Y295 HydrophobicContact CG2-CE1 3.71Å; Y295-G298 PolarHBondContact OH-N 3.26Å; Y295-N327 PolarHBondContact N-O 2.91Å; Y295-L328 HydrophobicContact CD1-CD2 4.28Å; Y295-L328 HydrophobicContact CG-CD2 4.48Å; Y295-C329 PolarHBondContact O-N 3.41Å |
| 296 | N | 89.8 | Confident | 89.2 | Confident | 26 Ų | 26 | 43.3 Ų | 43.3 | 14% | 0.139 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 98 | 176.2 | -176.8 | 11.3 | 0 | 0 | 0 | 110 | G298 T299 V301 K322 C329 | N296-G298 VanDerWaalsContact C-N 3.29Å; N296-G298 PolarHBondContact O-N 3.25Å; N296-G298 VanDerWaalsContact O-N 3.11Å; N296-T299 PolarHBondContact N-O 3.39Å; N296-T299 PolarHBondContact O-N 2.93Å; N296-V301 HydrophobicContact CB-CG1 4.22Å; N296-V301 HydrophobicContact CB-CG2 3.69Å; N296-K322 WeakPolarHBondContact OD1-CD 3.28Å; N296-K322 PolarHBondContact OD1-NZ 3.38Å; N296-C329 HydrophobicContact CB-CB 4.02Å |
| 297 | S | 84.4 | Confident | 88.7 | Confident | 88 Ų | 88 | 47.5 Ų | 47.5 | 62% | 0.615 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.4 | 45.6 | 172.7 | -60.2 | 0 | 0 | 0 | 0 | 114.6 | K322 | S297-K322 PolarHBondContact OG-NZ 2.95Š|
| 298 | G | 84.3 | Confident | 88.1 | Confident | 32 Ų | 32 | 47.7 Ų | 47.7 | 33% | 0.33 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.7 | -0.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | S286 Y295 N296 | S286-G298 WeakPolarHBondContact CA-O 3.45Å; S286-G298 WeakPolarHBondContact CB-O 3.04Å; Y295-G298 PolarHBondContact OH-N 3.26Å; N296-G298 VanDerWaalsContact C-N 3.29Å; N296-G298 PolarHBondContact O-N 3.25Å; N296-G298 VanDerWaalsContact O-N 3.11Å |
| 299 | T | 90.5 | Very high | 87.5 | Confident | 55 Ų | 55 | 50 Ų | 50 | 34% | 0.337 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 135.2 | 176.2 | -54.9 | 0 | 0 | 0 | 0 | 111 | A285 N296 V301 | A285-T299 HydrophobicContact CB-CG2 3.68Å; N296-T299 PolarHBondContact N-O 3.39Å; N296-T299 PolarHBondContact O-N 2.93Å; T299-V301 HydrophobicContact CG2-CG1 4.29Å |
| 300 | C | 92.6 | Very high | 86.9 | Confident | 8 Ų | 8 | 54.8 Ų | 54.8 | 5% | 0.054 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 122 | 176.2 | -60 | 0 | 0 | 0 | 0 | 111.5 | Q275 A285 C288 C291 Y294 | Q275-C300 HydrophobicContact CB-CB 3.96Å; Q275-C300 WeakPolarHBondContact O-CB 3.37Å; A285-C300 WeakPolarHBondContact O-CB 3.46Å; A285-C300 PolarHBondContact O-N 2.66Å; C288-C300 VanDerWaalsContact CB-SG 3.54Å; C291-C300 WeakPolarHBondContact CA-SG 3.46Å; C291-C300 HydrophobicContact CB-CB 3.53Å; C291-C300 WeakPolarHBondContact CB-SG 3.24Å; C291-C300 WeakPolarHBondContact SG-CA 3.14Å; C291-C300 WeakPolarHBondContact SG-CB 3.5Å; C291-C300 CovalentContact SG-SG 2.03Å; C291-C300 PolarHBondContact SG-SG 3Å; Y294-C300 WeakPolarHBondContact O-CA 3.34Å |
| 301 | V | 92 | Very high | 86 | Confident | 31 Ų | 31 | 58.8 Ų | 58.8 | 19% | 0.188 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 148.7 | -173.7 | -61.9 | 0 | 0 | 0 | 0 | 110.9 | Y294 N296 T299 H303 | Y294-V301 PolarHBondContact N-O 3Å; Y294-V301 PolarHBondContact O-N 2.96Å; N296-V301 HydrophobicContact CB-CG1 4.22Å; N296-V301 HydrophobicContact CB-CG2 3.69Å; T299-V301 HydrophobicContact CG2-CG1 4.29Å; V301-H303 VanDerWaalsContact C-N 3.28Å; V301-H303 WeakPolarHBondContact CG2-O 3.17Å; V301-H303 PolarHBondContact O-N 3.3Å |
| 302 | A | 89 | Confident | 85 | Confident | 33 Ų | 33 | 64.7 Ų | 64.7 | 27% | 0.273 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -65.6 | -33 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y294 | Y294-A302 VanDerWaalsContact CD2-O 3.26Å; Y294-A302 WeakPolarHBondContact CD2-O 3.35Å; Y294-A302 WeakPolarHBondContact CE2-O 3.18Å |
| 303 | H | 88.9 | Confident | 83.8 | Confident | 85 Ų | 85 | 63.5 Ų | 63.5 | 39% | 0.394 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -144.2 | 145.1 | -177.9 | -53.7 | 104.2 | 0 | 0 | 0 | 110.6 | V301 S1732 | V301-H303 VanDerWaalsContact C-N 3.28Å; V301-H303 WeakPolarHBondContact CG2-O 3.17Å; V301-H303 PolarHBondContact O-N 3.3Å; H303-S1732 WeakPolarHBondContact CE1-CB 3.08Å; H303-S1732 PolarHBondContact CE1-OG 2.76Å; H303-S1732 VanDerWaalsContact CE1-OG 3.3Å; H303-S1732 PolarHBondContact ND1-OG 3.25Å; H303-S1732 WeakPolarHBondContact NE2-CB 3.2Å; H303-S1732 PolarHBondContact NE2-OG 3.44Å |
| 304 | C | 90.3 | Very high | 82.2 | Confident | 9 Ų | 9 | 67.6 Ų | 67.6 | 6% | 0.061 | 37% | 0.374 | C | S | . | . | trans | -69.3 | 151.8 | 169.3 | -62.2 | 0 | 0 | 0 | 0 | 111 | Y294 S306 R324 C329 | Y294-C304 VanDerWaalsContact CD1-SG 3.56Å; C304-S306 PolarHBondContact O-N 2.91Å; C304-S306 VanDerWaalsContact O-N 3.1Å; C304-R324 HydrophobicContact CB-CG 3.87Å; C304-C329 WeakPolarHBondContact CA-SG 3.41Å; C304-C329 HydrophobicContact CB-CB 3.78Å; C304-C329 WeakPolarHBondContact CB-SG 3.42Å; C304-C329 WeakPolarHBondContact SG-CA 3.33Å; C304-C329 WeakPolarHBondContact SG-CB 3.26Å; C304-C329 CovalentContact SG-SG 2.03Å; C304-C329 PolarHBondContact SG-SG 2.67Å | ||
| 305 | P | 88.6 | Confident | 81 | Confident | 28 Ų | 28 | 73.1 Ų | 73.1 | 18% | 0.182 | 40% | 0.404 | C | S | . | . | trans | -57.4 | 115.3 | 178.6 | -25.3 | 33.9 | 0 | 0 | 0 | 112.5 | E320 F321 K322 | P305-E320 HydrophobicContact CB-CB 4.49Å; P305-E320 WeakPolarHBondContact CB-O 3.27Å; P305-F321 WeakPolarHBondContact O-CD2 3.42Å; P305-K322 PolarHBondContact O-N 2.9Å | ||
| 306 | S | 84.7 | Confident | 80.2 | Confident | 69 Ų | 69 | 73 Ų | 73 | 48% | 0.483 | 41% | 0.407 | S | S | . | . | trans | -62.6 | 155.8 | -178.4 | -53 | 0 | 0 | 0 | 0 | 112.9 | C304 T308 N318 | C304-S306 PolarHBondContact O-N 2.91Å; C304-S306 VanDerWaalsContact O-N 3.1Å; S306-T308 PolarHBondContact O-N 2.9Å; S306-N318 WeakPolarHBondContact O-CB 3.5Å; S306-N318 PolarHBondContact O-ND2 2.72Å | ||
| 307 | R | 80.6 | Confident | 79.5 | Confident | 156 Ų | 156 | 76 Ų | 76 | 59% | 0.589 | 43% | 0.431 | S | S | * | . | S | Bend | trans | -64.1 | -24.9 | -178.1 | -162.9 | 174.5 | -169.5 | -96.4 | 0.2 | 114.1 | N318 F321 | R307-N318 PolarHBondContact O-N 2.94Å; R307-F321 HydrophobicContact CB-CD2 3.7Å; R307-F321 HydrophobicContact CB-CE2 3.74Å; R307-F321 HydrophobicContact CB-CG 4.18Å; R307-F321 HydrophobicContact CB-CZ 4.23Å; R307-F321 HydrophobicContact CG-CD1 4.17Å; R307-F321 HydrophobicContact CG-CD2 4.12Å; R307-F321 HydrophobicContact CG-CE1 4.19Å; R307-F321 HydrophobicContact CG-CE2 4.14Å; R307-F321 HydrophobicContact CG-CG 4.13Å; R307-F321 HydrophobicContact CG-CZ 4.17Å |
| 308 | T | 79.2 | Confident | 79.5 | Confident | 66 Ų | 66 | 72.7 Ų | 72.7 | 41% | 0.405 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 149.4 | 173.4 | 48.1 | 0 | 0 | 0 | 0 | 110.5 | S306 L315 I316 | S306-T308 PolarHBondContact O-N 2.9Å; T308-L315 HydrophobicContact CG2-CB 4.45Å; T308-I316 CarbonylContact C-O 3.6Å; T308-I316 WeakPolarHBondContact CA-O 3.46Å; T308-I316 WeakPolarHBondContact CB-O 3Å |
| 309 | I | 78.6 | Confident | 79.2 | Confident | 69 Ų | 69 | 76.6 Ų | 76.6 | 35% | 0.354 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 149.1 | 168.8 | 50.3 | 176.1 | 0 | 0 | 0 | 109 | H311 I316 N318 | I309-H311 PolarHBondContact O-N 2.62Å; I309-I316 HydrophobicContact CD1-CD1 4.15Å; I309-I316 HydrophobicContact CD1-CG1 4.22Å; I309-I316 HydrophobicContact CG1-CD1 4.14Å; I309-I316 HydrophobicContact CG1-CG1 3.65Å; I309-I316 PolarHBondContact N-O 3.36Å; I309-I316 PolarHBondContact O-N 2.81Å; I309-N318 HydrophobicContact CG1-CB 4.22Å; I309-N318 HydrophobicContact CG2-CB 4Å |
| 310 | I | 74.7 | Confident | 78.9 | Confident | 135 Ų | 135 | 79.9 Ų | 79.9 | 69% | 0.692 | 44% | 0.437 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 111.1 | 174.7 | -58.5 | 172.8 | 0 | 0 | 0 | 107.4 | K314 L315 | I310-K314 WeakPolarHBondContact CA-O 3.09Å; I310-L315 HydrophobicContact CG1-CD2 3.83Å |
| 311 | H | 71 | Confident | 78.6 | Confident | 102 Ų | 102 | 81.1 Ų | 81.1 | 47% | 0.472 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 123.8 | 174.3 | -167.1 | 67.9 | 0 | 0 | 0 | 108.1 | I309 G313 K314 I316 | I309-H311 PolarHBondContact O-N 2.62Å; H311-G313 PolarHBondContact O-N 3.42Å; H311-K314 PolarHBondContact N-O 3.18Å; H311-K314 PolarHBondContact O-N 2.89Å; H311-K314 VanDerWaalsContact O-O 3.1Å; H311-I316 HydrophobicContact CB-CD1 3.5Å; H311-I316 HydrophobicContact CB-CG1 3.8Å; H311-I316 HydrophobicContact CB-CG2 4.37Å |
| 312 | E | 68.8 | Low | 78.4 | Confident | 127 Ų | 127 | 81 Ų | 81 | 59% | 0.593 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.9 | 22.6 | -179 | -58.4 | -173.1 | 150.3 | 0 | 0 | 115.4 | K314 Q1722 | E312-K314 VanDerWaalsContact C-N 3.35Å; E312-Q1722 PolarHBondContact O-NE2 3.16Å |
| 313 | G | 64.8 | Low | 78.4 | Confident | 72 Ų | 72 | 81.8 Ų | 81.8 | 74% | 0.742 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.9 | -2.5 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | H311 | H311-G313 PolarHBondContact O-N 3.42Š|
| 314 | K | 54.8 | Low | 78.4 | Confident | 150 Ų | 150 | 80.6 Ų | 80.6 | 65% | 0.652 | 43% | 0.427 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 146.2 | 171.3 | -65.5 | 171.2 | -175.8 | 164.5 | 0 | 110.2 | I310 H311 E312 I316 | I310-K314 WeakPolarHBondContact CA-O 3.09Å; H311-K314 PolarHBondContact N-O 3.18Å; H311-K314 PolarHBondContact O-N 2.89Å; H311-K314 VanDerWaalsContact O-O 3.1Å; E312-K314 VanDerWaalsContact C-N 3.35Å; K314-I316 HydrophobicContact CB-CG2 4.46Å; K314-I316 PolarHBondContact O-N 2.97Å |
| 315 | L | 64.8 | Low | 78 | Confident | 125 Ų | 125 | 80.6 Ų | 80.6 | 65% | 0.654 | 43% | 0.426 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 102.8 | 167.1 | -72.5 | 168.7 | 0 | 0 | 0 | 108.6 | T308 I310 | T308-L315 HydrophobicContact CG2-CB 4.45Å; I310-L315 HydrophobicContact CG1-CD2 3.83Å |
| 316 | I | 72 | Confident | 77.5 | Confident | 67 Ų | 67 | 81.4 Ų | 81.4 | 34% | 0.344 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 154.1 | 172.7 | 67.8 | 169.7 | 0 | 0 | 0 | 110.1 | T308 I309 H311 K314 N318 | T308-I316 CarbonylContact C-O 3.6Å; T308-I316 WeakPolarHBondContact CA-O 3.46Å; T308-I316 WeakPolarHBondContact CB-O 3Å; I309-I316 HydrophobicContact CD1-CD1 4.15Å; I309-I316 HydrophobicContact CD1-CG1 4.22Å; I309-I316 HydrophobicContact CG1-CD1 4.14Å; I309-I316 HydrophobicContact CG1-CG1 3.65Å; I309-I316 PolarHBondContact N-O 3.36Å; I309-I316 PolarHBondContact O-N 2.81Å; H311-I316 HydrophobicContact CB-CD1 3.5Å; H311-I316 HydrophobicContact CB-CG1 3.8Å; H311-I316 HydrophobicContact CB-CG2 4.37Å; K314-I316 HydrophobicContact CB-CG2 4.46Å; K314-I316 PolarHBondContact O-N 2.97Å; I316-N318 PolarHBondContact O-N 2.68Å |
| 317 | S | 75.9 | Confident | 77.4 | Confident | 90 Ų | 90 | 79 Ų | 79 | 63% | 0.629 | 42% | 0.421 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 130.8 | 173.6 | -168 | 0 | 0 | 0 | 0 | 109.7 | P319 | S317-P319 WeakPolarHBondContact O-CD 3.42Å |
| 318 | N | 82.7 | Confident | 77.7 | Confident | 17 Ų | 17 | 71.8 Ų | 71.8 | 9% | 0.091 | 39% | 0.394 | C | S | . | . | P | Polyproline II helix | trans | -81 | 120.3 | 178.4 | -176.8 | 11.2 | 0 | 0 | 0 | 110.1 | S306 R307 I309 I316 E320 F321 | S306-N318 WeakPolarHBondContact O-CB 3.5Å; S306-N318 PolarHBondContact O-ND2 2.72Å; R307-N318 PolarHBondContact O-N 2.94Å; I309-N318 HydrophobicContact CG1-CB 4.22Å; I309-N318 HydrophobicContact CG2-CB 4Å; I316-N318 PolarHBondContact O-N 2.68Å; N318-E320 VanDerWaalsContact C-N 3.26Å; N318-E320 PolarHBondContact O-N 2.79Å; N318-E320 PolarHBondContact OD1-N 2.85Å; N318-F321 HydrophobicContact CB-CB 4.36Å; N318-F321 VanDerWaalsContact O-CB 3.31Å; N318-F321 WeakPolarHBondContact O-CB 3.43Å; N318-F321 PolarHBondContact O-N 3.15Å |
| 319 | P | 79.6 | Confident | 78.2 | Confident | 115 Ų | 115 | 69 Ų | 69 | 75% | 0.747 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -26.3 | 175.1 | 28.3 | -34.5 | 0 | 0 | 0 | 112.6 | S317 F321 | S317-P319 WeakPolarHBondContact O-CD 3.42Å; P319-F321 VanDerWaalsContact C-N 3.26Å; P319-F321 PolarHBondContact O-N 2.89Å |
| 320 | E | 82.9 | Confident | 78.5 | Confident | 124 Ų | 124 | 67.7 Ų | 67.7 | 58% | 0.579 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | 7.9 | 178.5 | -70 | -62.8 | 136 | 0 | 0 | 113.6 | P305 N318 K322 | P305-E320 HydrophobicContact CB-CB 4.49Å; P305-E320 WeakPolarHBondContact CB-O 3.27Å; N318-E320 VanDerWaalsContact C-N 3.26Å; N318-E320 PolarHBondContact O-N 2.79Å; N318-E320 PolarHBondContact OD1-N 2.85Å; E320-K322 PolarHBondContact O-N 3.5Å |
| 321 | F | 86.9 | Confident | 78.9 | Confident | 34 Ų | 34 | 65.6 Ų | 65.6 | 15% | 0.149 | 37% | 0.368 | C | S | . | . | trans | -52.2 | 133.2 | -178.1 | 166.7 | -119.5 | 0 | 0 | 0 | 112.9 | P305 R307 N318 P319 Y323 D342 | P305-F321 WeakPolarHBondContact O-CD2 3.42Å; R307-F321 HydrophobicContact CB-CD2 3.7Å; R307-F321 HydrophobicContact CB-CE2 3.74Å; R307-F321 HydrophobicContact CB-CG 4.18Å; R307-F321 HydrophobicContact CB-CZ 4.23Å; R307-F321 HydrophobicContact CG-CD1 4.17Å; R307-F321 HydrophobicContact CG-CD2 4.12Å; R307-F321 HydrophobicContact CG-CE1 4.19Å; R307-F321 HydrophobicContact CG-CE2 4.14Å; R307-F321 HydrophobicContact CG-CG 4.13Å; R307-F321 HydrophobicContact CG-CZ 4.17Å; N318-F321 HydrophobicContact CB-CB 4.36Å; N318-F321 VanDerWaalsContact O-CB 3.31Å; N318-F321 WeakPolarHBondContact O-CB 3.43Å; N318-F321 PolarHBondContact O-N 3.15Å; P319-F321 VanDerWaalsContact C-N 3.26Å; P319-F321 PolarHBondContact O-N 2.89Å; F321-Y323 HydrophobicContact CE1-CD1 4.16Å; F321-Y323 HydrophobicContact CE1-CD2 4.43Å; F321-Y323 AromaticContact CE1-CE1 3.66Å; F321-Y323 HydrophobicContact CE1-CE1 3.66Å; F321-Y323 AromaticContact CE1-CE2 3.97Å; F321-Y323 HydrophobicContact CE1-CE2 3.97Å; F321-Y323 AromaticContact CE1-CZ 3.57Å; F321-Y323 AromaticContact CZ-CD1 3.71Å; F321-Y323 HydrophobicContact CZ-CD1 3.71Å; F321-Y323 AromaticContact CZ-CE1 3.56Å; F321-Y323 HydrophobicContact CZ-CE1 3.56Å; F321-Y323 HydrophobicContact CZ-CE2 4.47Å; F321-Y323 HydrophobicContact CZ-CG 4.23Å; F321-Y323 AromaticContact CZ-CZ 3.99Å; F321-D342 HydrophobicContact CE2-CB 3.89Å; F321-D342 HydrophobicContact CZ-CB 4.29Å | ||
| 322 | K | 88.4 | Confident | 79.4 | Confident | 28 Ų | 28 | 65.8 Ų | 65.8 | 12% | 0.122 | 38% | 0.377 | C | S | . | . | trans | -135.9 | 139.7 | 174.5 | -67.1 | -179.8 | -169 | 173.5 | 0 | 111.6 | N296 S297 P305 E320 C329 L330 | N296-K322 WeakPolarHBondContact OD1-CD 3.28Å; N296-K322 PolarHBondContact OD1-NZ 3.38Å; S297-K322 PolarHBondContact OG-NZ 2.95Å; P305-K322 PolarHBondContact O-N 2.9Å; E320-K322 PolarHBondContact O-N 3.5Å; K322-C329 HydrophobicContact CB-CB 4.04Å; K322-C329 HydrophobicContact CD-CB 4.09Å; K322-L330 CarbonylContact C-O 3.47Å; K322-L330 VanDerWaalsContact CA-O 3.31Å; K322-L330 WeakPolarHBondContact CA-O 3.39Å; K322-L330 WeakPolarHBondContact CB-O 3.18Å | ||
| 323 | Y | 88 | Confident | 79.8 | Confident | 50 Ų | 50 | 60.5 Ų | 60.5 | 20% | 0.196 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 150.3 | 173.2 | -58.1 | -82.1 | 0 | 0 | 0 | 111.8 | F321 C329 L330 V339 D342 C344 | F321-Y323 HydrophobicContact CE1-CD1 4.16Å; F321-Y323 HydrophobicContact CE1-CD2 4.43Å; F321-Y323 AromaticContact CE1-CE1 3.66Å; F321-Y323 HydrophobicContact CE1-CE1 3.66Å; F321-Y323 AromaticContact CE1-CE2 3.97Å; F321-Y323 HydrophobicContact CE1-CE2 3.97Å; F321-Y323 AromaticContact CE1-CZ 3.57Å; F321-Y323 AromaticContact CZ-CD1 3.71Å; F321-Y323 HydrophobicContact CZ-CD1 3.71Å; F321-Y323 AromaticContact CZ-CE1 3.56Å; F321-Y323 HydrophobicContact CZ-CE1 3.56Å; F321-Y323 HydrophobicContact CZ-CE2 4.47Å; F321-Y323 HydrophobicContact CZ-CG 4.23Å; F321-Y323 AromaticContact CZ-CZ 3.99Å; Y323-C329 CarbonylContact O-C 3.59Å; Y323-C329 WeakPolarHBondContact O-CA 3.43Å; Y323-L330 PolarHBondContact N-O 3.01Å; Y323-L330 PolarHBondContact O-N 3.32Å; Y323-V339 HydrophobicContact CD1-CG1 4.11Å; Y323-V339 HydrophobicContact CD1-CG2 4.47Å; Y323-V339 HydrophobicContact CE1-CB 4.36Å; Y323-V339 HydrophobicContact CE1-CG1 3.44Å; Y323-V339 VanDerWaalsContact CE1-CG1 3.44Å; Y323-V339 HydrophobicContact CE1-CG2 3.97Å; Y323-D342 CarbonylContact C-O 3.51Å; Y323-D342 VanDerWaalsContact CA-O 3.28Å; Y323-D342 WeakPolarHBondContact CA-O 3.27Å; Y323-C344 VanDerWaalsContact CB-SG 3.57Å |
| 324 | R | 88.5 | Confident | 80 | Confident | 60 Ų | 60 | 59.5 Ų | 59.5 | 23% | 0.226 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 126.4 | 174.7 | -65.1 | -175.5 | -73.1 | 120.5 | -0.2 | 110.6 | Y294 C304 D342 V343 C344 | Y294-R324 HydrophobicContact CE1-CB 4.4Å; Y294-R324 HydrophobicContact CE1-CG 4.12Å; C304-R324 HydrophobicContact CB-CG 3.87Å; R324-D342 IonicContact CZ-OD1 3.53Å; R324-D342 IonicContact CZ-OD2 3.66Å; R324-D342 VanDerWaalsContact CZ-OD2 3.28Å; R324-D342 PolarHBondContact N-O 3.4Å; R324-D342 IonicContact NE-OD1 3.85Å; R324-D342 IonicContact NE-OD2 3.8Å; R324-D342 PolarHBondContact NE-OD2 3.02Å; R324-D342 IonicContact NH2-OD1 3.3Å; R324-D342 PolarHBondContact NH2-OD1 2.74Å; R324-D342 IonicContact NH2-OD2 3.77Å; R324-D342 PolarHBondContact NH2-OD2 2.88Å; R324-V343 VanDerWaalsContact NH2-CG2 3.25Å; R324-C344 PolarHBondContact O-N 3.43Å |
| 325 | L | 82.8 | Confident | 80.3 | Confident | 8 Ų | 8 | 58.7 Ų | 58.7 | 4% | 0.042 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 101.3 | 169.7 | -179.3 | 57.5 | 0 | 0 | 0 | 109.3 | F29 N327 L328 L330 P334 F337 C344 | F29-L325 HydrophobicContact CE1-CD1 4.41Å; F29-L325 HydrophobicContact CZ-CD1 4.09Å; F29-L325 HydrophobicContact CZ-CD2 3.93Å; F29-L325 HydrophobicContact CZ-CG 4.25Å; L325-N327 PolarHBondContact O-N 3.32Å; L325-N327 VanDerWaalsContact O-N 3.14Å; L325-L328 PolarHBondContact N-O 3.07Å; L325-L328 WeakPolarHBondContact O-CB 3.29Å; L325-L328 PolarHBondContact O-N 3.49Å; L325-L328 VanDerWaalsContact O-N 3.1Å; L325-L330 HydrophobicContact CB-CD1 3.73Å; L325-L330 HydrophobicContact CB-CG 4.37Å; L325-L330 HydrophobicContact CD2-CD1 3.55Å; L325-L330 HydrophobicContact CG-CD1 4.28Å; L325-P334 HydrophobicContact CD2-CG 3.83Å; L325-F337 HydrophobicContact CD1-CD1 3.89Å; L325-F337 HydrophobicContact CD1-CE1 3.62Å; L325-F337 HydrophobicContact CD1-CZ 4.3Å; L325-C344 HydrophobicContact CB-CB 4.02Å; L325-C344 HydrophobicContact CD1-CB 3.86Å; L325-C344 HydrophobicContact CG-CB 4.33Å |
| 326 | G | 77.3 | Confident | 79.9 | Confident | 45 Ų | 45 | 55.9 Ų | 55.9 | 46% | 0.464 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.1 | -117.5 | -169.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y294 | Y294-G326 WeakPolarHBondContact CE1-O 3.22Š|
| 327 | N | 83.1 | Confident | 79.6 | Confident | 19 Ų | 19 | 54 Ų | 54 | 10% | 0.102 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | 15.3 | -177 | -32.8 | -48.1 | 0 | 0 | 0 | 112.5 | E86 R110 Y294 Y295 L325 | E86-N327 PolarHBondContact OE1-ND2 2.74Å; R110-N327 VanDerWaalsContact CD-ND2 3.34Å; R110-N327 WeakPolarHBondContact CD-ND2 3.41Å; R110-N327 PolarHBondContact NE-ND2 2.78Å; Y294-N327 CarbonylContact C-O 3.47Å; Y294-N327 VanDerWaalsContact CA-O 3.32Å; Y294-N327 WeakPolarHBondContact CA-O 3.48Å; Y295-N327 PolarHBondContact N-O 2.91Å; L325-N327 PolarHBondContact O-N 3.32Å; L325-N327 VanDerWaalsContact O-N 3.14Å |
| 328 | L | 86.9 | Confident | 79.4 | Confident | 4 Ų | 4 | 51.1 Ų | 51.1 | 2% | 0.021 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 140.3 | -169.8 | -54.9 | 174.8 | 0 | 0 | 0 | 112.1 | V25 V27 Y295 L325 L330 | V25-L328 HydrophobicContact CG1-CD1 4.05Å; V25-L328 HydrophobicContact CG1-CD2 4.24Å; V27-L328 HydrophobicContact CG2-CD1 3.4Å; V27-L328 VanDerWaalsContact CG2-CD1 3.4Å; Y295-L328 HydrophobicContact CD1-CD2 4.28Å; Y295-L328 HydrophobicContact CG-CD2 4.48Å; L325-L328 PolarHBondContact N-O 3.07Å; L325-L328 WeakPolarHBondContact O-CB 3.29Å; L325-L328 PolarHBondContact O-N 3.49Å; L325-L328 VanDerWaalsContact O-N 3.1Å; L328-L330 HydrophobicContact CB-CD2 4.27Å |
| 329 | C | 90.2 | Very high | 79.3 | Confident | 9 Ų | 9 | 51.6 Ų | 51.6 | 6% | 0.061 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 114.3 | 169.5 | -48.8 | 0 | 0 | 0 | 0 | 110.5 | Y295 N296 C304 K322 Y323 | Y295-C329 PolarHBondContact O-N 3.41Å; N296-C329 HydrophobicContact CB-CB 4.02Å; C304-C329 WeakPolarHBondContact CA-SG 3.41Å; C304-C329 HydrophobicContact CB-CB 3.78Å; C304-C329 WeakPolarHBondContact CB-SG 3.42Å; C304-C329 WeakPolarHBondContact SG-CA 3.33Å; C304-C329 WeakPolarHBondContact SG-CB 3.26Å; C304-C329 CovalentContact SG-SG 2.03Å; C304-C329 PolarHBondContact SG-SG 2.67Å; K322-C329 HydrophobicContact CB-CB 4.04Å; K322-C329 HydrophobicContact CD-CB 4.09Å; Y323-C329 CarbonylContact O-C 3.59Å; Y323-C329 WeakPolarHBondContact O-CA 3.43Å |
| 330 | L | 85 | Confident | 79.2 | Confident | 41 Ų | 41 | 47.9 Ų | 47.9 | 22% | 0.215 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 140.4 | -176 | -55.9 | -177.6 | 0 | 0 | 0 | 111.8 | K322 Y323 L325 L328 V332 P334 | K322-L330 CarbonylContact C-O 3.47Å; K322-L330 VanDerWaalsContact CA-O 3.31Å; K322-L330 WeakPolarHBondContact CA-O 3.39Å; K322-L330 WeakPolarHBondContact CB-O 3.18Å; Y323-L330 PolarHBondContact N-O 3.01Å; Y323-L330 PolarHBondContact O-N 3.32Å; L325-L330 HydrophobicContact CB-CD1 3.73Å; L325-L330 HydrophobicContact CB-CG 4.37Å; L325-L330 HydrophobicContact CD2-CD1 3.55Å; L325-L330 HydrophobicContact CG-CD1 4.28Å; L328-L330 HydrophobicContact CB-CD2 4.27Å; L330-V332 VanDerWaalsContact C-N 3.29Å; L330-V332 PolarHBondContact O-N 3.14Å; L330-P334 HydrophobicContact CD1-CG 4.26Å |
| 331 | S | 82 | Confident | 79.1 | Confident | 91 Ų | 91 | 44.8 Ų | 44.8 | 64% | 0.636 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -69.9 | -25.7 | 173.7 | 50 | 0 | 0 | 0 | 0 | 113.4 | ||
| 332 | V | 81.9 | Confident | 78.9 | Confident | 106 Ų | 106 | 45.6 Ų | 45.6 | 64% | 0.642 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -146 | 142.5 | 178 | -169 | 0 | 0 | 0 | 0 | 108.4 | L330 | L330-V332 VanDerWaalsContact C-N 3.29Å; L330-V332 PolarHBondContact O-N 3.14Å |
| 333 | C | 77.2 | Confident | 78.7 | Confident | 16 Ų | 16 | 46.2 Ų | 46.2 | 11% | 0.108 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -69.1 | 142 | 171.3 | -63.5 | 0 | 0 | 0 | 0 | 111.4 | F337 V339 C344 | C333-F337 HydrophobicContact CB-CB 4.22Å; C333-V339 HydrophobicContact CB-CG2 4.32Å; C333-C344 WeakPolarHBondContact CA-SG 3.25Å; C333-C344 HydrophobicContact CB-CB 3.78Å; C333-C344 WeakPolarHBondContact CB-SG 3.47Å; C333-C344 WeakPolarHBondContact SG-CA 3.48Å; C333-C344 WeakPolarHBondContact SG-CB 3.47Å; C333-C344 CovalentContact SG-SG 2.04Å; C333-C344 PolarHBondContact SG-SG 3.49Å |
| 334 | P | 68.7 | Low | 78.4 | Confident | 51 Ų | 51 | 44.2 Ų | 44.2 | 33% | 0.331 | 29% | 0.287 | S | S | . | . | P | Polyproline II helix | trans | -62.9 | 153.7 | 176.8 | -21.3 | 33.4 | 0 | 0 | 0 | 112.8 | L325 L330 G336 F337 | L325-P334 HydrophobicContact CD2-CG 3.83Å; L330-P334 HydrophobicContact CD1-CG 4.26Å; P334-G336 PolarHBondContact O-N 3.35Å; P334-F337 HydrophobicContact CB-CD2 4.13Å; P334-F337 HydrophobicContact CG-CD2 4.43Å; P334-F337 WeakPolarHBondContact O-CB 3.29Å; P334-F337 PolarHBondContact O-N 3.02Å |
| 335 | D | 61.1 | Low | 77.6 | Confident | 132 Ų | 132 | 42.7 Ų | 42.7 | 71% | 0.706 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | 136.4 | 172.7 | -82.4 | -55.6 | 0 | 0 | 0 | 111.7 | R358 | D335-R358 IonicContact OD1-CZ 3.78Å; D335-R358 IonicContact OD1-NE 3.72Å; D335-R358 IonicContact OD1-NH2 3.58Å; D335-R358 PolarHBondContact OD1-NH2 3.21Å; D335-R358 IonicContact OD2-NH2 2.67Å |
| 336 | G | 56.4 | Low | 76.6 | Confident | 67 Ų | 67 | 46.2 Ų | 46.2 | 69% | 0.691 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.6 | -11.5 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | P334 | P334-G336 PolarHBondContact O-N 3.35Š|
| 337 | F | 66 | Low | 76.1 | Confident | 26 Ų | 26 | 49.8 Ų | 49.8 | 11% | 0.114 | 31% | 0.311 | C | S | . | . | P | Polyproline II helix | trans | -97.8 | 144.8 | 167.9 | -70.9 | -102.4 | 0 | 0 | 0 | 110.9 | F29 L325 C333 P334 C344 V345 T346 | F29-F337 AromaticContact CD1-CZ 3.83Å; F29-F337 HydrophobicContact CD1-CZ 3.83Å; F29-F337 HydrophobicContact CD2-CE2 4Å; F29-F337 AromaticContact CD2-CZ 3.91Å; F29-F337 HydrophobicContact CD2-CZ 3.91Å; F29-F337 HydrophobicContact CE1-CE1 4.02Å; F29-F337 HydrophobicContact CE1-CE2 4.35Å; F29-F337 AromaticContact CE1-CZ 3.42Å; F29-F337 HydrophobicContact CE1-CZ 3.42Å; F29-F337 VanDerWaalsContact CE1-CZ 3.42Å; F29-F337 AromaticContact CE2-CE2 3.62Å; F29-F337 HydrophobicContact CE2-CE2 3.62Å; F29-F337 AromaticContact CE2-CZ 3.53Å; F29-F337 HydrophobicContact CE2-CZ 3.53Å; F29-F337 HydrophobicContact CG-CZ 4.08Å; F29-F337 HydrophobicContact CZ-CE1 4.03Å; F29-F337 AromaticContact CZ-CE2 3.84Å; F29-F337 HydrophobicContact CZ-CE2 3.84Å; F29-F337 AromaticContact CZ-CZ 3.28Å; F29-F337 HydrophobicContact CZ-CZ 3.28Å; L325-F337 HydrophobicContact CD1-CD1 3.89Å; L325-F337 HydrophobicContact CD1-CE1 3.62Å; L325-F337 HydrophobicContact CD1-CZ 4.3Å; C333-F337 HydrophobicContact CB-CB 4.22Å; P334-F337 HydrophobicContact CB-CD2 4.13Å; P334-F337 HydrophobicContact CG-CD2 4.43Å; P334-F337 WeakPolarHBondContact O-CB 3.29Å; P334-F337 PolarHBondContact O-N 3.02Å; F337-C344 HydrophobicContact CB-CB 4.3Å; F337-C344 HydrophobicContact CD1-CB 4.23Å; F337-V345 WeakPolarHBondContact CA-O 3.47Å; F337-T346 HydrophobicContact CD1-CG2 3.98Å; F337-T346 HydrophobicContact CE1-CG2 3.4Å; F337-T346 VanDerWaalsContact CE1-CG2 3.4Å; F337-T346 HydrophobicContact CZ-CG2 3.8Å |
| 338 | M | 72.6 | Confident | 75.2 | Confident | 30 Ų | 30 | 50.1 Ų | 50.1 | 15% | 0.148 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 149.7 | 170.1 | -70.5 | 162.5 | -74.7 | 0 | 0 | 110.2 | V345 T346 S354 G357 R358 | M338-V345 HydrophobicContact CB-CG2 4.26Å; M338-V345 PolarHBondContact N-O 3.26Å; M338-V345 WeakPolarHBondContact O-CG2 3.31Å; M338-V345 PolarHBondContact O-N 3.02Å; M338-T346 WeakPolarHBondContact CE-O 2.94Å; M338-S354 WeakPolarHBondContact SD-CB 3.38Å; M338-G357 WeakPolarHBondContact CG-O 3.25Å; M338-R358 CarbonylContact C-O 3.33Å; M338-R358 WeakPolarHBondContact CA-O 3.26Å |
| 339 | V | 79.1 | Confident | 74.4 | Confident | 27 Ų | 27 | 53.3 Ų | 53.3 | 16% | 0.164 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 121.5 | 173 | 173.8 | 0 | 0 | 0 | 0 | 109.1 | Y323 C333 R358 C360 | Y323-V339 HydrophobicContact CD1-CG1 4.11Å; Y323-V339 HydrophobicContact CD1-CG2 4.47Å; Y323-V339 HydrophobicContact CE1-CB 4.36Å; Y323-V339 HydrophobicContact CE1-CG1 3.44Å; Y323-V339 VanDerWaalsContact CE1-CG1 3.44Å; Y323-V339 HydrophobicContact CE1-CG2 3.97Å; C333-V339 HydrophobicContact CB-CG2 4.32Å; V339-R358 PolarHBondContact N-O 3.27Å; V339-C360 PolarHBondContact O-N 2.97Å |
| 340 | E | 78.5 | Confident | 73.1 | Confident | 38 Ų | 38 | 60.6 Ų | 60.6 | 18% | 0.178 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 107 | 168.5 | -174.1 | 151.1 | -119.9 | 0 | 0 | 109.6 | D342 V343 V345 S349 S352 C360 | E340-D342 PolarHBondContact O-N 2.97Å; E340-D342 VanDerWaalsContact O-N 3.11Å; E340-V343 PolarHBondContact N-O 3.19Å; E340-V343 PolarHBondContact O-N 3.38Å; E340-V345 HydrophobicContact CB-CG1 4.31Å; E340-V345 HydrophobicContact CB-CG2 3.8Å; E340-S349 PolarHBondContact OE1-N 3.42Å; E340-S349 WeakPolarHBondContact OE2-CB 3.24Å; E340-S349 PolarHBondContact OE2-N 3.39Å; E340-S349 PolarHBondContact OE2-OG 2.78Å; E340-S352 WeakPolarHBondContact OE1-CB 3.21Å; E340-S352 PolarHBondContact OE1-OG 2.78Å; E340-C360 HydrophobicContact CB-CB 3.97Å; E340-C360 HydrophobicContact CG-CB 4.15Å |
| 341 | G | 80.2 | Confident | 72.1 | Confident | 59 Ų | 59 | 60.7 Ų | 60.7 | 61% | 0.608 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.3 | -110.1 | -172.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 342 | D | 83.3 | Confident | 71.4 | Confident | 51 Ų | 51 | 57.2 Ų | 57.2 | 27% | 0.273 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.1 | 13.1 | 174.5 | 71.7 | -39.4 | 0 | 0 | 0 | 113.2 | F321 Y323 R324 E340 | F321-D342 HydrophobicContact CE2-CB 3.89Å; F321-D342 HydrophobicContact CZ-CB 4.29Å; Y323-D342 CarbonylContact C-O 3.51Å; Y323-D342 VanDerWaalsContact CA-O 3.28Å; Y323-D342 WeakPolarHBondContact CA-O 3.27Å; R324-D342 IonicContact CZ-OD1 3.53Å; R324-D342 IonicContact CZ-OD2 3.66Å; R324-D342 VanDerWaalsContact CZ-OD2 3.28Å; R324-D342 PolarHBondContact N-O 3.4Å; R324-D342 IonicContact NE-OD1 3.85Å; R324-D342 IonicContact NE-OD2 3.8Å; R324-D342 PolarHBondContact NE-OD2 3.02Å; R324-D342 IonicContact NH2-OD1 3.3Å; R324-D342 PolarHBondContact NH2-OD1 2.74Å; R324-D342 IonicContact NH2-OD2 3.77Å; R324-D342 PolarHBondContact NH2-OD2 2.88Å; E340-D342 PolarHBondContact O-N 2.97Å; E340-D342 VanDerWaalsContact O-N 3.11Å |
| 343 | V | 83.6 | Confident | 70.5 | Confident | 41 Ų | 41 | 54.9 Ų | 54.9 | 25% | 0.248 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 143.6 | -176.1 | -171 | 0 | 0 | 0 | 0 | 111.5 | R324 E340 V345 | R324-V343 VanDerWaalsContact NH2-CG2 3.25Å; E340-V343 PolarHBondContact N-O 3.19Å; E340-V343 PolarHBondContact O-N 3.38Å; V343-V345 HydrophobicContact CB-CG1 4.26Å; V343-V345 HydrophobicContact CG1-CG1 3.82Å |
| 344 | C | 82.7 | Confident | 69.8 | Low | 7 Ų | 7 | 55.4 Ų | 55.4 | 5% | 0.047 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 114.7 | 166.7 | -55.2 | 0 | 0 | 0 | 0 | 109.9 | Y323 R324 L325 C333 F337 | Y323-C344 VanDerWaalsContact CB-SG 3.57Å; R324-C344 PolarHBondContact O-N 3.43Å; L325-C344 HydrophobicContact CB-CB 4.02Å; L325-C344 HydrophobicContact CD1-CB 3.86Å; L325-C344 HydrophobicContact CG-CB 4.33Å; C333-C344 WeakPolarHBondContact CA-SG 3.25Å; C333-C344 HydrophobicContact CB-CB 3.78Å; C333-C344 WeakPolarHBondContact CB-SG 3.47Å; C333-C344 WeakPolarHBondContact SG-CA 3.48Å; C333-C344 WeakPolarHBondContact SG-CB 3.47Å; C333-C344 CovalentContact SG-SG 2.04Å; C333-C344 PolarHBondContact SG-SG 3.49Å; F337-C344 HydrophobicContact CB-CB 4.3Å; F337-C344 HydrophobicContact CD1-CB 4.23Å |
| 345 | V | 71.1 | Confident | 69.1 | Low | 28 Ų | 28 | 57.2 Ų | 57.2 | 17% | 0.17 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 152.7 | -175.6 | -62.5 | 0 | 0 | 0 | 0 | 112 | F337 M338 E340 V343 H347 | F337-V345 WeakPolarHBondContact CA-O 3.47Å; M338-V345 HydrophobicContact CB-CG2 4.26Å; M338-V345 PolarHBondContact N-O 3.26Å; M338-V345 WeakPolarHBondContact O-CG2 3.31Å; M338-V345 PolarHBondContact O-N 3.02Å; E340-V345 HydrophobicContact CB-CG1 4.31Å; E340-V345 HydrophobicContact CB-CG2 3.8Å; V343-V345 HydrophobicContact CB-CG1 4.26Å; V343-V345 HydrophobicContact CG1-CG1 3.82Å; V345-H347 WeakPolarHBondContact CB-O 3.38Å; V345-H347 WeakPolarHBondContact CG2-O 3.15Å |
| 346 | T | 62.4 | Low | 68.9 | Low | 82 Ų | 82 | 54 Ų | 54 | 50% | 0.503 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -87.3 | -14 | 175.3 | 55.8 | 0 | 0 | 0 | 0 | 113.4 | F337 M338 | F337-T346 HydrophobicContact CD1-CG2 3.98Å; F337-T346 HydrophobicContact CE1-CG2 3.4Å; F337-T346 VanDerWaalsContact CE1-CG2 3.4Å; F337-T346 HydrophobicContact CZ-CG2 3.8Å; M338-T346 WeakPolarHBondContact CE-O 2.94Å |
| 347 | H | 65.7 | Low | 68.7 | Low | 120 Ų | 120 | 53 Ų | 53 | 56% | 0.556 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -151.1 | 146.2 | 179.3 | 52.6 | -72.4 | 0 | 0 | 0 | 107.7 | V345 | V345-H347 WeakPolarHBondContact CB-O 3.38Å; V345-H347 WeakPolarHBondContact CG2-O 3.15Å |
| 348 | C | 65.5 | Low | 68.8 | Low | 27 Ų | 27 | 58.7 Ų | 58.7 | 18% | 0.182 | 36% | 0.358 | C | S | . | . | trans | -75 | 148.4 | 177.3 | -61.1 | 0 | 0 | 0 | 0 | 111.3 | S352 C360 | C348-S352 WeakPolarHBondContact CB-OG 3.2Å; C348-C360 WeakPolarHBondContact CA-SG 3.15Å; C348-C360 HydrophobicContact CB-CB 3.75Å; C348-C360 WeakPolarHBondContact CB-SG 3.05Å; C348-C360 VanDerWaalsContact SG-CA 3.57Å; C348-C360 WeakPolarHBondContact SG-CB 2.99Å; C348-C360 CovalentContact SG-SG 2.04Å; C348-C360 PolarHBondContact SG-SG 2.79Å | ||
| 349 | S | 69.3 | Low | 68.6 | Low | 70 Ų | 70 | 61 Ų | 61 | 49% | 0.49 | 37% | 0.37 | S | S | . | . | trans | -64.5 | 157.2 | 176.2 | -64 | 0 | 0 | 0 | 0 | 112.7 | E340 G351 S352 | E340-S349 PolarHBondContact OE1-N 3.42Å; E340-S349 WeakPolarHBondContact OE2-CB 3.24Å; E340-S349 PolarHBondContact OE2-N 3.39Å; E340-S349 PolarHBondContact OE2-OG 2.78Å; S349-G351 PolarHBondContact O-N 2.91Å; S349-S352 PolarHBondContact N-OG 2.94Å; S349-S352 PolarHBondContact O-N 2.76Å; S349-S352 PolarHBondContact O-OG 3.47Å | ||
| 350 | T | 62.9 | Low | 68.2 | Low | 163 Ų | 163 | 60.3 Ų | 60.3 | 100% | 1 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | 105.4 | -177.7 | -41.6 | 0 | 0 | 0 | 0 | 111.7 | ||
| 351 | G | 64.3 | Low | 67.9 | Low | 42 Ų | 42 | 62.3 Ų | 62.3 | 43% | 0.433 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 121.8 | -10.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | S349 C363 C367 | S349-G351 PolarHBondContact O-N 2.91Å; G351-C363 PolarHBondContact O-N 2.95Å; G351-C363 PolarHBondContact O-SG 2.04Å; G351-C363 VanDerWaalsContact O-SG 3.34Å; G351-C367 VanDerWaalsContact C-SG 3.52Å |
| 352 | S | 66.6 | Low | 67.4 | Low | 18 Ų | 18 | 64.7 Ų | 64.7 | 13% | 0.126 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 159.6 | 169 | 60 | 0 | 0 | 0 | 0 | 111.1 | E340 C348 S349 L361 | E340-S352 WeakPolarHBondContact OE1-CB 3.21Å; E340-S352 PolarHBondContact OE1-OG 2.78Å; C348-S352 WeakPolarHBondContact CB-OG 3.2Å; S349-S352 PolarHBondContact N-OG 2.94Å; S349-S352 PolarHBondContact O-N 2.76Å; S349-S352 PolarHBondContact O-OG 3.47Å; S352-L361 CarbonylContact C-O 3.53Å; S352-L361 WeakPolarHBondContact CA-O 2.97Å; S352-L361 WeakPolarHBondContact CB-O 3.07Å |
| 353 | M | 63.5 | Low | 66.5 | Low | 58 Ų | 58 | 63.6 Ų | 63.6 | 29% | 0.286 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 152.8 | 173.4 | 65 | 164.3 | -70.8 | 0 | 0 | 109.9 | T355 L361 P368 | M353-T355 HydrophobicContact CE-CG2 3.87Å; M353-L361 PolarHBondContact N-O 3.41Å; M353-L361 PolarHBondContact O-N 3.43Å; M353-P368 HydrophobicContact CB-CG 4.43Å; M353-P368 HydrophobicContact CE-CG 4.19Å; M353-P368 HydrophobicContact SD-CG 4.08Å |
| 354 | S | 62.8 | Low | 65.2 | Low | 27 Ų | 27 | 70.8 Ų | 70.8 | 19% | 0.189 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 132.3 | 167.8 | -167.9 | 0 | 0 | 0 | 0 | 111.4 | M338 D356 G357 R358 I359 | M338-S354 WeakPolarHBondContact SD-CB 3.38Å; S354-D356 PolarHBondContact OG-OD1 3.29Å; S354-G357 VanDerWaalsContact OG-CA 3.28Å; S354-G357 WeakPolarHBondContact OG-CA 3.35Å; S354-G357 PolarHBondContact OG-N 2.79Å; S354-R358 PolarHBondContact OG-N 3.04Å; S354-R358 VanDerWaalsContact OG-N 3.11Å; S354-I359 WeakPolarHBondContact CA-O 3.34Å; S354-I359 VanDerWaalsContact CB-O 3.27Å; S354-I359 WeakPolarHBondContact CB-O 3.37Å; S354-I359 PolarHBondContact OG-N 3.01Å; S354-I359 PolarHBondContact OG-O 2.88Å |
| 355 | T | 54 | Low | 63.6 | Low | 89 Ų | 89 | 78 Ų | 78 | 55% | 0.546 | 45% | 0.448 | S | S | . | . | S | Bend | trans | -95.8 | -21.9 | 177.3 | 53.6 | 0 | 0 | 0 | 0 | 112.4 | M353 | M353-T355 HydrophobicContact CE-CG2 3.87Š|
| 356 | D | 55.8 | Low | 62.9 | Low | 64 Ų | 64 | 83.7 Ų | 83.7 | 34% | 0.342 | 47% | 0.47 | S | S | . | . | S | Bend | trans | -117.4 | -6.9 | -175.9 | 64.6 | -16.8 | 0 | 0 | 0 | 113.2 | S354 R358 I359 | S354-D356 PolarHBondContact OG-OD1 3.29Å; D356-R358 VanDerWaalsContact C-N 3.31Å; D356-R358 PolarHBondContact OD1-N 3.36Å; D356-I359 PolarHBondContact OD1-N 3.4Å |
| 357 | G | 53.5 | Low | 62.8 | Low | 46 Ų | 46 | 82.3 Ų | 82.3 | 47% | 0.474 | 46% | 0.463 | S | S | . | . | S | Bend | trans | 77.7 | 11.2 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | M338 S354 | M338-G357 WeakPolarHBondContact CG-O 3.25Å; S354-G357 VanDerWaalsContact OG-CA 3.28Å; S354-G357 WeakPolarHBondContact OG-CA 3.35Å; S354-G357 PolarHBondContact OG-N 2.79Å |
| 358 | R | 66.7 | Low | 62.8 | Low | 145 Ų | 145 | 79.3 Ų | 79.3 | 55% | 0.547 | 45% | 0.454 | S | S | . | . | S | Bend | trans | -133.7 | -25.4 | -176.2 | -80.6 | -177.3 | 163.3 | -171.1 | -4.1 | 115.1 | D335 M338 V339 S354 D356 | D335-R358 IonicContact OD1-CZ 3.78Å; D335-R358 IonicContact OD1-NE 3.72Å; D335-R358 IonicContact OD1-NH2 3.58Å; D335-R358 PolarHBondContact OD1-NH2 3.21Å; D335-R358 IonicContact OD2-NH2 2.67Å; M338-R358 CarbonylContact C-O 3.33Å; M338-R358 WeakPolarHBondContact CA-O 3.26Å; V339-R358 PolarHBondContact N-O 3.27Å; S354-R358 PolarHBondContact OG-N 3.04Å; S354-R358 VanDerWaalsContact OG-N 3.11Å; D356-R358 VanDerWaalsContact C-N 3.31Å; D356-R358 PolarHBondContact OD1-N 3.36Å |
| 359 | I | 69.1 | Low | 63.3 | Low | 79 Ų | 79 | 82.3 Ų | 82.3 | 41% | 0.405 | 46% | 0.464 | S | S | . | . | B | Isolated β-bridge | trans | -126.9 | 129.8 | 177.2 | -55.5 | 179.6 | 0 | 0 | 0 | 109.9 | S354 D356 L361 | S354-I359 WeakPolarHBondContact CA-O 3.34Å; S354-I359 VanDerWaalsContact CB-O 3.27Å; S354-I359 WeakPolarHBondContact CB-O 3.37Å; S354-I359 PolarHBondContact OG-N 3.01Å; S354-I359 PolarHBondContact OG-O 2.88Å; D356-I359 PolarHBondContact OD1-N 3.4Å; I359-L361 HydrophobicContact CG2-CD2 3.8Å; I359-L361 HydrophobicContact CG2-CG 4.27Å |
| 360 | C | 71.4 | Confident | 63.9 | Low | 12 Ų | 12 | 81.4 Ų | 81.4 | 8% | 0.081 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 114.5 | 170.4 | -63.2 | 0 | 0 | 0 | 0 | 109.8 | V339 E340 C348 | V339-C360 PolarHBondContact O-N 2.97Å; E340-C360 HydrophobicContact CB-CB 3.97Å; E340-C360 HydrophobicContact CG-CB 4.15Å; C348-C360 WeakPolarHBondContact CA-SG 3.15Å; C348-C360 HydrophobicContact CB-CB 3.75Å; C348-C360 WeakPolarHBondContact CB-SG 3.05Å; C348-C360 VanDerWaalsContact SG-CA 3.57Å; C348-C360 WeakPolarHBondContact SG-CB 2.99Å; C348-C360 CovalentContact SG-SG 2.04Å; C348-C360 PolarHBondContact SG-SG 2.79Å |
| 361 | L | 70.9 | Confident | 65 | Low | 81 Ų | 81 | 74.3 Ų | 74.3 | 42% | 0.424 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 139.6 | 178.2 | -61.1 | 177.2 | 0 | 0 | 0 | 109.8 | S352 M353 I359 C363 | S352-L361 CarbonylContact C-O 3.53Å; S352-L361 WeakPolarHBondContact CA-O 2.97Å; S352-L361 WeakPolarHBondContact CB-O 3.07Å; M353-L361 PolarHBondContact N-O 3.41Å; M353-L361 PolarHBondContact O-N 3.43Å; I359-L361 HydrophobicContact CG2-CD2 3.8Å; I359-L361 HydrophobicContact CG2-CG 4.27Å; L361-C363 PolarHBondContact O-N 2.94Å |
| 362 | P | 70.2 | Confident | 65.9 | Low | 108 Ų | 108 | 79.6 Ų | 79.6 | 70% | 0.701 | 43% | 0.426 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -54.7 | 133.3 | 171 | -25.6 | 35.1 | 0 | 0 | 0 | 111.7 | Q364 | P362-Q364 PolarHBondContact O-N 3.48Å |
| 363 | C | 64.3 | Low | 66.4 | Low | 29 Ų | 29 | 80 Ų | 80 | 20% | 0.196 | 43% | 0.426 | C | S | . | . | trans | -68.4 | 129 | -179.4 | -52.9 | 0 | 0 | 0 | 0 | 110.5 | G351 L361 C367 | G351-C363 PolarHBondContact O-N 2.95Å; G351-C363 PolarHBondContact O-SG 2.04Å; G351-C363 VanDerWaalsContact O-SG 3.34Å; L361-C363 PolarHBondContact O-N 2.94Å; C363-C367 HydrophobicContact CB-CB 4.06Å; C363-C367 WeakPolarHBondContact CB-SG 3.15Å; C363-C367 WeakPolarHBondContact SG-CA 3.01Å; C363-C367 WeakPolarHBondContact SG-CB 3.07Å; C363-C367 CovalentContact SG-SG 2.04Å; C363-C367 PolarHBondContact SG-SG 3.01Å | ||
| 364 | Q | 55.7 | Low | 66.7 | Low | 192 Ų | 192 | 82.4 Ų | 82.4 | 90% | 0.897 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -70.1 | -34.3 | -174.8 | -71 | -176.6 | -18.9 | 0 | 0 | 114.1 | P362 | P362-Q364 PolarHBondContact O-N 3.48Š|
| 365 | D | 49.9 | Very low | 66.9 | Low | 159 Ų | 159 | 85.2 Ų | 85.2 | 85% | 0.85 | 46% | 0.457 | S | S | * | . | S | Bend | trans | -133.8 | -52.8 | 178.9 | -77.8 | -69.2 | 0 | 0 | 0 | 112.8 | ||
| 366 | K | 56.3 | Low | 67.4 | Low | 147 Ų | 147 | 83.9 Ų | 83.9 | 64% | 0.639 | 44% | 0.444 | S | S | * | . | trans | -146.6 | 130.7 | -179.2 | -65 | -180 | -177.8 | 172.5 | 0 | 109.9 | ||||
| 367 | C | 60.4 | Low | 67.7 | Low | 53 Ų | 53 | 86.6 Ų | 86.6 | 36% | 0.358 | 45% | 0.454 | S | S | . | . | trans | -74.4 | 157.6 | 172 | -58.8 | 0 | 0 | 0 | 0 | 111.8 | G351 C363 | G351-C367 VanDerWaalsContact C-SG 3.52Å; C363-C367 HydrophobicContact CB-CB 4.06Å; C363-C367 WeakPolarHBondContact CB-SG 3.15Å; C363-C367 WeakPolarHBondContact SG-CA 3.01Å; C363-C367 WeakPolarHBondContact SG-CB 3.07Å; C363-C367 CovalentContact SG-SG 2.04Å; C363-C367 PolarHBondContact SG-SG 3.01Å | ||
| 368 | P | 65.3 | Low | 68 | Low | 56 Ų | 56 | 85 Ų | 85 | 36% | 0.364 | 44% | 0.436 | S | S | . | . | trans | -56.9 | 138.1 | 162.8 | -18.7 | 31.7 | 0 | 0 | 0 | 110.4 | M353 S370 T399 | M353-P368 HydrophobicContact CB-CG 4.43Å; M353-P368 HydrophobicContact CE-CG 4.19Å; M353-P368 HydrophobicContact SD-CG 4.08Å; P368-S370 PolarHBondContact O-N 2.87Å; P368-T399 WeakPolarHBondContact CB-OG1 3.38Å | ||
| 369 | K | 76.3 | Confident | 67.7 | Low | 90 Ų | 90 | 85.1 Ų | 85.1 | 39% | 0.391 | 44% | 0.44 | S | S | . | . | trans | -72.4 | 110 | 175.5 | -171.4 | -169.5 | -179.8 | -161.6 | 0 | 108.9 | C371 Q394 I396 N397 C398 T399 I400 | K369-C371 VanDerWaalsContact CE-SG 3.52Å; K369-Q394 PolarHBondContact NZ-O 3.46Å; K369-I396 PolarHBondContact NZ-O 2.93Å; K369-N397 WeakPolarHBondContact CB-O 3.37Å; K369-C398 HydrophobicContact CD-CB 4.41Å; K369-T399 PolarHBondContact N-OG1 2.92Å; K369-T399 PolarHBondContact O-N 2.82Å; K369-T399 PolarHBondContact O-OG1 3.05Å; K369-I400 PolarHBondContact O-N 3.39Å; K369-I400 VanDerWaalsContact O-N 3.15Å | ||
| 370 | S | 80.9 | Confident | 67 | Low | 51 Ų | 51 | 83.9 Ų | 83.9 | 36% | 0.357 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 145.6 | 160.2 | -159.5 | 0 | 0 | 0 | 0 | 109.4 | P368 I400 E402 | P368-S370 PolarHBondContact O-N 2.87Å; S370-I400 CarbonylContact C-O 3.17Å; S370-I400 WeakPolarHBondContact CA-O 3.46Å; S370-E402 WeakPolarHBondContact CB-OE1 3.4Å; S370-E402 PolarHBondContact OG-OE1 3.4Å |
| 371 | C | 86 | Confident | 66.1 | Low | 15 Ų | 15 | 85.2 Ų | 85.2 | 10% | 0.101 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 138.3 | 177.4 | -39.5 | 0 | 0 | 0 | 0 | 110.2 | K369 L395 C398 I400 E402 | K369-C371 VanDerWaalsContact CE-SG 3.52Å; C371-L395 HydrophobicContact CB-CD2 3.46Å; C371-L395 VanDerWaalsContact CB-CD2 3.46Å; C371-C398 HydrophobicContact CB-CB 4.23Å; C371-C398 WeakPolarHBondContact CB-SG 3.44Å; C371-C398 WeakPolarHBondContact SG-CB 3.29Å; C371-C398 CovalentContact SG-SG 2.03Å; C371-C398 PolarHBondContact SG-SG 3.04Å; C371-I400 PolarHBondContact N-O 3.03Å; C371-E402 PolarHBondContact O-N 3.3Å |
| 372 | K | 83.7 | Confident | 65.4 | Low | 152 Ų | 152 | 90.5 Ų | 90.5 | 66% | 0.661 | 47% | 0.469 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 136.3 | 176.5 | -173.4 | 176.5 | -177.8 | 174.6 | 0 | 108.5 | E402 | K372-E402 HydrophobicContact CB-CB 3.92Å; K372-E402 HydrophobicContact CG-CB 4.12Å |
| 373 | I | 77.2 | Confident | 64.7 | Low | 28 Ų | 28 | 91.5 Ų | 91.5 | 14% | 0.144 | 46% | 0.462 | C | S | . | . | trans | -106.9 | 140.8 | 178 | -73 | 167 | 0 | 0 | 0 | 109.1 | F387 N391 L395 L401 | I373-F387 HydrophobicContact CD1-CD1 4.05Å; I373-F387 HydrophobicContact CD1-CE1 3.24Å; I373-F387 HydrophobicContact CD1-CE2 4.27Å; I373-F387 HydrophobicContact CD1-CZ 3.39Å; I373-N391 HydrophobicContact CG2-CB 4.44Å; I373-L395 HydrophobicContact CD1-CD1 4.13Å; I373-L395 HydrophobicContact CD1-CD2 3.91Å; I373-L395 HydrophobicContact CD1-CG 3.99Å; I373-L395 HydrophobicContact CG1-CD2 4.4Å; I373-L401 HydrophobicContact CD1-CD1 4.43Å | ||
| 374 | T | 69.7 | Low | 64.3 | Low | 107 Ų | 107 | 91.4 Ų | 91.4 | 66% | 0.656 | 46% | 0.459 | S | S | * | . | P | Polyproline II helix | trans | -92 | 124.9 | 174.6 | 50.3 | 0 | 0 | 0 | 0 | 109.9 | K376 | T374-K376 PolarHBondContact O-N 2.91Š|
| 375 | D | 68.1 | Low | 64.6 | Low | 87 Ų | 87 | 84 Ų | 84 | 47% | 0.465 | 43% | 0.429 | S | S | . | . | P | Polyproline II helix | trans | -59.3 | 134 | 172.4 | -51.8 | -53.6 | 0 | 0 | 0 | 110.3 | K383 S385 | D375-K383 HydrophobicContact CB-CB 3.98Å; D375-K383 HydrophobicContact CB-CD 4.48Å; D375-K383 HydrophobicContact CB-CG 4.34Å; D375-S385 WeakPolarHBondContact OD1-CA 3.14Å; D375-S385 WeakPolarHBondContact OD1-CB 3.44Å |
| 376 | K | 63.9 | Low | 65.3 | Low | 61 Ų | 61 | 77.5 Ų | 77.5 | 27% | 0.265 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 132.2 | 174.5 | -67 | -179.2 | 178.9 | 176.8 | 0 | 109.5 | T374 M384 D388 L418 | T374-K376 PolarHBondContact O-N 2.91Å; K376-M384 PolarHBondContact N-O 3.42Å; K376-M384 VanDerWaalsContact N-O 3.13Å; K376-M384 WeakPolarHBondContact O-CA 3.4Å; K376-M384 WeakPolarHBondContact O-CB 3.33Å; K376-M384 PolarHBondContact O-N 3.21Å; K376-D388 IonicContact NZ-OD1 3.68Å; K376-D388 IonicContact NZ-OD2 2.77Å; K376-D388 PolarHBondContact NZ-OD2 3.44Å; K376-L418 HydrophobicContact CB-CD2 4.06Å |
| 377 | E | 61.7 | Low | 66 | Low | 121 Ų | 121 | 70.6 Ų | 70.6 | 57% | 0.565 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 129.8 | 172.6 | -72 | 177.1 | -166.7 | 0 | 0 | 110.5 | K383 L418 | E377-K383 VanDerWaalsContact CD-CE 3.48Å; E377-K383 HydrophobicContact CG-CD 4.4Å; E377-K383 VanDerWaalsContact CG-CE 3.5Å; E377-K383 HydrophobicContact CG-CG 3.79Å; E377-K383 WeakPolarHBondContact OE1-CE 3.07Å; E377-K383 IonicContact OE1-NZ 2.66Å; E377-K383 PolarHBondContact OE1-NZ 2.84Å; E377-L418 WeakPolarHBondContact O-CD2 3.45Å |
| 378 | T | 61 | Low | 66.8 | Low | 13 Ų | 13 | 68.2 Ų | 68.2 | 8% | 0.08 | 35% | 0.347 | C | S | . | . | P | Polyproline II helix | trans | -74.1 | 164.1 | 172.9 | 60.6 | 0 | 0 | 0 | 0 | 111.6 | S380 G381 R382 M384 D417 L418 | T378-S380 PolarHBondContact O-N 3.19Å; T378-S380 VanDerWaalsContact O-N 3.07Å; T378-S380 PolarHBondContact OG1-N 3.42Å; T378-S380 PolarHBondContact OG1-OG 3.4Å; T378-G381 PolarHBondContact O-N 2.9Å; T378-G381 PolarHBondContact OG1-N 3.37Å; T378-R382 HydrophobicContact CG2-CB 4.42Å; T378-R382 PolarHBondContact N-O 3.46Å; T378-R382 WeakPolarHBondContact OG1-CB 3.47Å; T378-R382 PolarHBondContact OG1-N 2.76Å; T378-R382 PolarHBondContact OG1-O 3.48Å; T378-M384 HydrophobicContact CG2-CB 4.28Å; T378-M384 HydrophobicContact CG2-CE 3.88Å; T378-D417 HydrophobicContact CG2-CB 4.08Å; T378-L418 HydrophobicContact CG2-CD1 4.29Å; T378-L418 HydrophobicContact CG2-CG 4.2Å |
| 379 | K | 59.4 | Low | 67.6 | Low | 146 Ų | 146 | 67 Ų | 67 | 64% | 0.635 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | -24.3 | 165 | -67.9 | 166.6 | -164.4 | 166.5 | 0 | 113.6 | S416 D417 | K379-S416 PolarHBondContact NZ-O 2.98Å; K379-D417 WeakPolarHBondContact CG-O 3.19Å; K379-D417 PolarHBondContact N-O 3.11Å |
| 380 | S | 54.8 | Low | 67.8 | Low | 54 Ų | 54 | 64 Ų | 64 | 38% | 0.378 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | 8.8 | 174.6 | 53.1 | 0 | 0 | 0 | 0 | 114.8 | T378 R382 D417 | T378-S380 PolarHBondContact O-N 3.19Å; T378-S380 VanDerWaalsContact O-N 3.07Å; T378-S380 PolarHBondContact OG1-N 3.42Å; T378-S380 PolarHBondContact OG1-OG 3.4Å; S380-R382 PolarHBondContact O-N 2.81Å; S380-D417 VanDerWaalsContact CB-OD2 3.26Å; S380-D417 WeakPolarHBondContact CB-OD2 3.28Å; S380-D417 PolarHBondContact OG-OD2 3.22Å |
| 381 | G | 51.9 | Low | 67.9 | Low | 40 Ų | 40 | 62 Ų | 62 | 41% | 0.412 | 32% | 0.317 | S | S | . | . | S | Bend | trans | 71.3 | 11.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | T378 | T378-G381 PolarHBondContact O-N 2.9Å; T378-G381 PolarHBondContact OG1-N 3.37Å |
| 382 | R | 56.5 | Low | 67.8 | Low | 192 Ų | 192 | 61.2 Ų | 61.2 | 73% | 0.725 | 31% | 0.312 | S | S | * | . | trans | -86.2 | 135.1 | 175.7 | -69.9 | -178.7 | 168.9 | -179.4 | -2.5 | 110 | T378 S380 M384 | T378-R382 HydrophobicContact CG2-CB 4.42Å; T378-R382 PolarHBondContact N-O 3.46Å; T378-R382 WeakPolarHBondContact OG1-CB 3.47Å; T378-R382 PolarHBondContact OG1-N 2.76Å; T378-R382 PolarHBondContact OG1-O 3.48Å; S380-R382 PolarHBondContact O-N 2.81Å; R382-M384 PolarHBondContact O-N 2.95Å | ||
| 383 | K | 56.4 | Low | 67.9 | Low | 129 Ų | 129 | 57.7 Ų | 57.7 | 56% | 0.561 | 30% | 0.301 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77 | 105 | 170.8 | -76.1 | -175.4 | 179.8 | -169.8 | 0 | 110.2 | D375 E377 S385 | D375-K383 HydrophobicContact CB-CB 3.98Å; D375-K383 HydrophobicContact CB-CD 4.48Å; D375-K383 HydrophobicContact CB-CG 4.34Å; E377-K383 VanDerWaalsContact CD-CE 3.48Å; E377-K383 HydrophobicContact CG-CD 4.4Å; E377-K383 VanDerWaalsContact CG-CE 3.5Å; E377-K383 HydrophobicContact CG-CG 3.79Å; E377-K383 WeakPolarHBondContact OE1-CE 3.07Å; E377-K383 IonicContact OE1-NZ 2.66Å; E377-K383 PolarHBondContact OE1-NZ 2.84Å; K383-S385 PolarHBondContact O-N 3.21Å |
| 384 | M | 55.5 | Low | 68.2 | Low | 26 Ų | 26 | 61.1 Ų | 61.1 | 13% | 0.128 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 95.8 | 172.3 | -164.5 | 74.6 | 84.6 | 0 | 0 | 108.5 | K376 T378 R382 N386 E410 L418 | K376-M384 PolarHBondContact N-O 3.42Å; K376-M384 VanDerWaalsContact N-O 3.13Å; K376-M384 WeakPolarHBondContact O-CA 3.4Å; K376-M384 WeakPolarHBondContact O-CB 3.33Å; K376-M384 PolarHBondContact O-N 3.21Å; T378-M384 HydrophobicContact CG2-CB 4.28Å; T378-M384 HydrophobicContact CG2-CE 3.88Å; R382-M384 PolarHBondContact O-N 2.95Å; M384-N386 HydrophobicContact CG-CB 4.04Å; M384-N386 HydrophobicContact SD-CB 4Å; M384-N386 PolarHBondContact SD-ND2 2.93Å; M384-E410 HydrophobicContact CE-CB 4.42Å; M384-E410 HydrophobicContact CE-CG 4.5Å; M384-E410 HydrophobicContact SD-CB 4.48Å; M384-L418 HydrophobicContact CB-CD1 4.01Å; M384-L418 HydrophobicContact CE-CD1 4.1Å; M384-L418 HydrophobicContact CG-CD1 3.97Å |
| 385 | S | 60.8 | Low | 68.9 | Low | 38 Ų | 38 | 56 Ų | 56 | 27% | 0.266 | 29% | 0.285 | S | S | . | . | trans | -81.3 | -4.5 | 170 | 56.8 | 0 | 0 | 0 | 0 | 112.9 | D375 K383 I406 | D375-S385 WeakPolarHBondContact OD1-CA 3.14Å; D375-S385 WeakPolarHBondContact OD1-CB 3.44Å; K383-S385 PolarHBondContact O-N 3.21Å; S385-I406 WeakPolarHBondContact OG-CD1 3.4Å | ||
| 386 | N | 65 | Low | 69.7 | Low | 22 Ų | 22 | 55.7 Ų | 55.7 | 12% | 0.118 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -71.7 | 138.4 | -179.7 | -55.7 | -15.3 | 0 | 0 | 0 | 109.9 | M384 I406 T408 E410 | M384-N386 HydrophobicContact CG-CB 4.04Å; M384-N386 HydrophobicContact SD-CB 4Å; M384-N386 PolarHBondContact SD-ND2 2.93Å; N386-I406 VanDerWaalsContact OD1-CG2 3.27Å; N386-I406 WeakPolarHBondContact OD1-CG2 3.48Å; N386-T408 PolarHBondContact ND2-OG1 3.23Å; N386-T408 WeakPolarHBondContact OD1-CG2 3.37Å; N386-E410 PolarHBondContact ND2-OE2 2.99Å; N386-E410 VanDerWaalsContact ND2-OE2 3.07Å |
| 387 | F | 71.2 | Confident | 70.6 | Confident | 2 Ų | 2 | 58 Ų | 58 | 1% | 0.009 | 30% | 0.298 | C | S | . | . | trans | -74.2 | 145.4 | -178.1 | -74.3 | -127 | 0 | 0 | 0 | 111.2 | I373 L392 L395 L401 L405 I406 L407 S411 | I373-F387 HydrophobicContact CD1-CD1 4.05Å; I373-F387 HydrophobicContact CD1-CE1 3.24Å; I373-F387 HydrophobicContact CD1-CE2 4.27Å; I373-F387 HydrophobicContact CD1-CZ 3.39Å; F387-L392 HydrophobicContact CD1-CB 4.45Å; F387-L392 HydrophobicContact CD1-CD1 4.3Å; F387-L395 HydrophobicContact CE1-CD1 3.58Å; F387-L395 HydrophobicContact CE1-CG 4.27Å; F387-L395 HydrophobicContact CZ-CD1 4.08Å; F387-L401 HydrophobicContact CZ-CD2 4.19Å; F387-L405 HydrophobicContact CD1-CD1 4.49Å; F387-L405 HydrophobicContact CD2-CD1 4.49Å; F387-L405 HydrophobicContact CE1-CD1 3.96Å; F387-L405 HydrophobicContact CE2-CD1 3.98Å; F387-L405 HydrophobicContact CZ-CD1 3.68Å; F387-I406 VanDerWaalsContact CD2-O 3.32Å; F387-I406 WeakPolarHBondContact CD2-O 3.44Å; F387-I406 PolarHBondContact N-O 2.9Å; F387-I406 VanDerWaalsContact N-O 3.1Å; F387-L407 HydrophobicContact CB-CD2 3.73Å; F387-L407 HydrophobicContact CG-CD2 4.24Å; F387-S411 WeakPolarHBondContact O-CA 3.39Å; F387-S411 WeakPolarHBondContact O-CB 3.37Å; F387-S411 PolarHBondContact O-OG 3.3Å | ||
| 388 | D | 78.1 | Confident | 71.9 | Confident | 2 Ų | 2 | 52.3 Ų | 52.3 | 1% | 0.011 | 27% | 0.271 | C | S | . | . | trans | -116.1 | 172.5 | 161.4 | 68.7 | 32.6 | 0 | 0 | 0 | 109.1 | K376 G390 N391 L392 I422 | K376-D388 IonicContact NZ-OD1 3.68Å; K376-D388 IonicContact NZ-OD2 2.77Å; K376-D388 PolarHBondContact NZ-OD2 3.44Å; D388-G390 PolarHBondContact O-N 2.97Å; D388-G390 WeakPolarHBondContact OD1-CA 3.43Å; D388-G390 PolarHBondContact OD1-N 3.22Å; D388-N391 PolarHBondContact O-N 3.09Å; D388-N391 PolarHBondContact OD1-N 2.97Å; D388-L392 VanDerWaalsContact O-CB 3.28Å; D388-L392 WeakPolarHBondContact O-CB 3.15Å; D388-L392 PolarHBondContact O-N 2.78Å; D388-I422 WeakPolarHBondContact CB-O 3.3Å | ||
| 389 | L | 81.8 | Confident | 73.1 | Confident | 30 Ų | 30 | 53.1 Ų | 53.1 | 16% | 0.157 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.5 | -28.8 | -178.4 | -177.6 | 57.5 | 0 | 0 | 0 | 112.7 | L392 N393 I422 Q429 | L389-L392 HydrophobicContact CD1-CD2 4.43Å; L389-N393 WeakPolarHBondContact O-CB 2.96Å; L389-N393 VanDerWaalsContact O-CG 3.23Å; L389-N393 PolarHBondContact O-N 3.3Å; L389-N393 VanDerWaalsContact O-N 3.1Å; L389-N393 PolarHBondContact O-ND2 3.45Å; L389-I422 HydrophobicContact CB-CB 4.23Å; L389-I422 HydrophobicContact CB-CG2 3.91Å; L389-I422 WeakPolarHBondContact CB-O 3.49Å; L389-I422 HydrophobicContact CD2-CG2 4.09Å; L389-I422 HydrophobicContact CG-CG2 4.48Å; L389-I422 PolarHBondContact N-O 2.04Å; L389-Q429 HydrophobicContact CD1-CB 3.84Å; L389-Q429 HydrophobicContact CD1-CG 3.82Å |
| 390 | G | 80.1 | Confident | 74.4 | Confident | 27 Ų | 27 | 48.8 Ų | 48.8 | 28% | 0.278 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -67.9 | -48.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | D388 | D388-G390 PolarHBondContact O-N 2.97Å; D388-G390 WeakPolarHBondContact OD1-CA 3.43Å; D388-G390 PolarHBondContact OD1-N 3.22Å |
| 391 | N | 82.4 | Confident | 76.1 | Confident | 9 Ų | 9 | 46.2 Ų | 46.2 | 5% | 0.048 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -66.3 | -38 | 175.6 | -71.9 | 5.6 | 0 | 0 | 0 | 111.6 | I373 D388 Q394 | I373-N391 HydrophobicContact CG2-CB 4.44Å; D388-N391 PolarHBondContact O-N 3.09Å; D388-N391 PolarHBondContact OD1-N 2.97Å; N391-Q394 WeakPolarHBondContact O-CB 3.11Å; N391-Q394 PolarHBondContact O-N 3.27Å |
| 392 | L | 85.4 | Confident | 77.6 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.3 | -43.1 | 178.9 | -176.7 | 62.3 | 0 | 0 | 0 | 112.4 | F387 D388 L389 Q394 L395 I424 Q429 L430 A432 L433 | F387-L392 HydrophobicContact CD1-CB 4.45Å; F387-L392 HydrophobicContact CD1-CD1 4.3Å; D388-L392 VanDerWaalsContact O-CB 3.28Å; D388-L392 WeakPolarHBondContact O-CB 3.15Å; D388-L392 PolarHBondContact O-N 2.78Å; L389-L392 HydrophobicContact CD1-CD2 4.43Å; L392-Q394 PolarHBondContact O-N 2.98Å; L392-L395 PolarHBondContact O-N 3.06Å; L392-I424 HydrophobicContact CD2-CD1 3.87Å; L392-I424 HydrophobicContact CD2-CG1 4.1Å; L392-Q429 HydrophobicContact CD2-CB 4.15Å; L392-Q429 WeakPolarHBondContact CD2-O 3.46Å; L392-L430 HydrophobicContact CD2-CD2 4.1Å; L392-A432 HydrophobicContact CD1-CB 4.21Å; L392-A432 HydrophobicContact CG-CB 4.11Å; L392-A432 WeakPolarHBondContact O-CB 3.08Å; L392-L433 HydrophobicContact CD1-CD1 4.26Å; L392-L433 HydrophobicContact CD1-CD2 3.86Å; L392-L433 HydrophobicContact CD1-CG 3.88Å |
| 393 | N | 84.3 | Confident | 78.9 | Confident | 78 Ų | 78 | 39.8 Ų | 39.8 | 42% | 0.417 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -62.6 | -25.9 | 178.3 | -77.1 | -31.9 | 0 | 0 | 0 | 113.3 | L389 L395 I396 | L389-N393 WeakPolarHBondContact O-CB 2.96Å; L389-N393 VanDerWaalsContact O-CG 3.23Å; L389-N393 PolarHBondContact O-N 3.3Å; L389-N393 VanDerWaalsContact O-N 3.1Å; L389-N393 PolarHBondContact O-ND2 3.45Å; N393-L395 PolarHBondContact O-N 2.99Å; N393-I396 HydrophobicContact CB-CD1 4.42Å; N393-I396 WeakPolarHBondContact O-CD1 3.27Å; N393-I396 VanDerWaalsContact O-CG1 3.3Å; N393-I396 WeakPolarHBondContact O-CG1 3.35Å; N393-I396 PolarHBondContact O-N 3.25Å |
| 394 | Q | 84 | Confident | 80.3 | Confident | 99 Ų | 99 | 36.5 Ų | 36.5 | 46% | 0.463 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -65.5 | -24 | 175.2 | -61.2 | 170.3 | 26.8 | 0 | 0 | 112.3 | K369 N391 L392 I396 | K369-Q394 PolarHBondContact NZ-O 3.46Å; N391-Q394 WeakPolarHBondContact O-CB 3.11Å; N391-Q394 PolarHBondContact O-N 3.27Å; L392-Q394 PolarHBondContact O-N 2.98Å; Q394-I396 VanDerWaalsContact C-N 3.31Å; Q394-I396 PolarHBondContact O-N 3.17Å |
| 395 | L | 85.7 | Confident | 82 | Confident | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | 0.5 | 178.3 | -61.1 | -162.4 | 0 | 0 | 0 | 114.6 | C371 I373 F387 L392 N393 N397 C398 L401 A432 L433 L436 | C371-L395 HydrophobicContact CB-CD2 3.46Å; C371-L395 VanDerWaalsContact CB-CD2 3.46Å; I373-L395 HydrophobicContact CD1-CD1 4.13Å; I373-L395 HydrophobicContact CD1-CD2 3.91Å; I373-L395 HydrophobicContact CD1-CG 3.99Å; I373-L395 HydrophobicContact CG1-CD2 4.4Å; F387-L395 HydrophobicContact CE1-CD1 3.58Å; F387-L395 HydrophobicContact CE1-CG 4.27Å; F387-L395 HydrophobicContact CZ-CD1 4.08Å; L392-L395 PolarHBondContact O-N 3.06Å; N393-L395 PolarHBondContact O-N 2.99Å; L395-N397 PolarHBondContact O-N 3.23Å; L395-C398 HydrophobicContact CB-CB 4.13Å; L395-C398 HydrophobicContact CD2-CB 4.28Å; L395-C398 WeakPolarHBondContact O-CA 3.44Å; L395-C398 WeakPolarHBondContact O-CB 3.32Å; L395-C398 PolarHBondContact O-N 2.89Å; L395-L401 HydrophobicContact CD1-CD1 3.94Å; L395-L401 HydrophobicContact CD1-CD2 4.21Å; L395-L401 HydrophobicContact CD2-CD1 3.99Å; L395-A432 VanDerWaalsContact O-O 3.09Å; L395-L433 HydrophobicContact CD1-CD2 3.69Å; L395-L436 HydrophobicContact CD1-CD1 4.39Å |
| 396 | I | 83.7 | Confident | 83.3 | Confident | 80 Ų | 80 | 33.8 Ų | 33.8 | 41% | 0.41 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | 131.7 | 173 | -65.2 | 169.6 | 0 | 0 | 0 | 109.9 | K369 N393 Q394 C398 A432 | K369-I396 PolarHBondContact NZ-O 2.93Å; N393-I396 HydrophobicContact CB-CD1 4.42Å; N393-I396 WeakPolarHBondContact O-CD1 3.27Å; N393-I396 VanDerWaalsContact O-CG1 3.3Å; N393-I396 WeakPolarHBondContact O-CG1 3.35Å; N393-I396 PolarHBondContact O-N 3.25Å; Q394-I396 VanDerWaalsContact C-N 3.31Å; Q394-I396 PolarHBondContact O-N 3.17Å; I396-C398 PolarHBondContact O-N 3.44Å; I396-A432 HydrophobicContact CG1-CB 3.77Å |
| 397 | N | 82.5 | Confident | 84.4 | Confident | 110 Ų | 110 | 32.8 Ų | 32.8 | 59% | 0.588 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.3 | 16.4 | -171.3 | -57.2 | -46.8 | 0 | 0 | 0 | 115.3 | K369 L395 | K369-N397 WeakPolarHBondContact CB-O 3.37Å; L395-N397 PolarHBondContact O-N 3.23Å |
| 398 | C | 88.7 | Confident | 85 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 19% | 0.187 | C | C | . | . | trans | -75.5 | 136.6 | 176.5 | -156.8 | 0 | 0 | 0 | 0 | 111.9 | K369 C371 L395 I396 I400 S435 L436 | K369-C398 HydrophobicContact CD-CB 4.41Å; C371-C398 HydrophobicContact CB-CB 4.23Å; C371-C398 WeakPolarHBondContact CB-SG 3.44Å; C371-C398 WeakPolarHBondContact SG-CB 3.29Å; C371-C398 CovalentContact SG-SG 2.03Å; C371-C398 PolarHBondContact SG-SG 3.04Å; L395-C398 HydrophobicContact CB-CB 4.13Å; L395-C398 HydrophobicContact CD2-CB 4.28Å; L395-C398 WeakPolarHBondContact O-CA 3.44Å; L395-C398 WeakPolarHBondContact O-CB 3.32Å; L395-C398 PolarHBondContact O-N 2.89Å; I396-C398 PolarHBondContact O-N 3.44Å; C398-I400 PolarHBondContact SG-O 3.21Å; C398-S435 CarbonylContact O-C 3.57Å; C398-S435 WeakPolarHBondContact O-CB 3.49Å; C398-L436 HydrophobicContact CB-CD2 3.89Å; C398-L436 WeakPolarHBondContact O-CA 3.42Å; C398-L436 PolarHBondContact O-N 2.93Å; C398-L436 VanDerWaalsContact O-N 3.1Å | ||
| 399 | T | 87.8 | Confident | 85 | Confident | 31 Ų | 31 | 37.3 Ų | 37.3 | 19% | 0.19 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -110.4 | -26.5 | 179.5 | 50.3 | 0 | 0 | 0 | 0 | 113.5 | P368 K369 R437 E438 | P368-T399 WeakPolarHBondContact CB-OG1 3.38Å; K369-T399 PolarHBondContact N-OG1 2.92Å; K369-T399 PolarHBondContact O-N 2.82Å; K369-T399 PolarHBondContact O-OG1 3.05Å; T399-R437 PolarHBondContact O-N 3.11Å; T399-E438 PolarHBondContact O-N 3.03Å |
| 400 | I | 86.7 | Confident | 84.7 | Confident | 54 Ų | 54 | 40.3 Ų | 40.3 | 28% | 0.277 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 123.6 | 176.7 | -55.9 | 177.1 | 0 | 0 | 0 | 108 | K369 S370 C371 C398 E438 T440 | K369-I400 PolarHBondContact O-N 3.39Å; K369-I400 VanDerWaalsContact O-N 3.15Å; S370-I400 CarbonylContact C-O 3.17Å; S370-I400 WeakPolarHBondContact CA-O 3.46Å; C371-I400 PolarHBondContact N-O 3.03Å; C398-I400 PolarHBondContact SG-O 3.21Å; I400-E438 WeakPolarHBondContact CA-O 3.42Å; I400-E438 HydrophobicContact CG1-CB 4.5Å; I400-E438 HydrophobicContact CG2-CB 4.44Å; I400-T440 HydrophobicContact CG2-CG2 3.96Å |
| 401 | L | 89.2 | Confident | 84.9 | Confident | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 114.3 | 171.6 | 177.9 | 59.2 | 0 | 0 | 0 | 109.8 | I373 F387 L395 G403 L405 L436 E438 V439 T440 | I373-L401 HydrophobicContact CD1-CD1 4.43Å; F387-L401 HydrophobicContact CZ-CD2 4.19Å; L395-L401 HydrophobicContact CD1-CD1 3.94Å; L395-L401 HydrophobicContact CD1-CD2 4.21Å; L395-L401 HydrophobicContact CD2-CD1 3.99Å; L401-G403 PolarHBondContact O-N 3.1Å; L401-L405 HydrophobicContact CD2-CB 3.84Å; L401-L405 HydrophobicContact CD2-CD1 4.37Å; L401-L436 HydrophobicContact CB-CD2 3.92Å; L401-E438 PolarHBondContact N-O 3.43Å; L401-V439 HydrophobicContact CB-CG2 4.22Å; L401-V439 HydrophobicContact CD2-CG1 4.23Å; L401-V439 HydrophobicContact CD2-CG2 4.31Å; L401-T440 PolarHBondContact O-N 2.78Å; L401-T440 PolarHBondContact O-OG1 2.83Å |
| 402 | E | 84.4 | Confident | 84.9 | Confident | 69 Ų | 69 | 39.6 Ų | 39.6 | 32% | 0.322 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 109.1 | 170 | -78.1 | 172.1 | -134.6 | 0 | 0 | 110.2 | S370 C371 K372 T440 | S370-E402 WeakPolarHBondContact CB-OE1 3.4Å; S370-E402 PolarHBondContact OG-OE1 3.4Å; C371-E402 PolarHBondContact O-N 3.3Å; K372-E402 HydrophobicContact CB-CB 3.92Å; K372-E402 HydrophobicContact CG-CB 4.12Å; E402-T440 WeakPolarHBondContact CA-OG1 3.44Å |
| 403 | G | 84.1 | Confident | 84.6 | Confident | 28 Ų | 28 | 43.3 Ų | 43.3 | 29% | 0.289 | 23% | 0.225 | S | C | . | . | S | Bend | trans | 109.1 | -151.7 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L401 V439 T440 G441 | L401-G403 PolarHBondContact O-N 3.1Å; G403-V439 WeakPolarHBondContact O-CG1 3.35Å; G403-T440 PolarHBondContact N-OG1 2.87Å; G403-G441 WeakPolarHBondContact O-CA 3.3Å; G403-G441 PolarHBondContact O-N 2.87Å |
| 404 | N | 86 | Confident | 84 | Confident | 59 Ų | 59 | 44.3 Ų | 44.3 | 32% | 0.316 | 24% | 0.236 | S | C | . | . | trans | -106 | 152.1 | -170.6 | -50.5 | -49.1 | 0 | 0 | 0 | 111.2 | I406 G441 Y442 | N404-I406 HydrophobicContact CB-CD1 3.73Å; N404-I406 HydrophobicContact CB-CG1 3.79Å; N404-G441 WeakPolarHBondContact OD1-CA 3.41Å; N404-Y442 CarbonylContact C-O 3.3Å; N404-Y442 VanDerWaalsContact CA-O 3.27Å; N404-Y442 WeakPolarHBondContact CA-O 3.22Å; N404-Y442 HydrophobicContact CB-CD1 4.31Å; N404-Y442 HydrophobicContact CB-CD2 4.4Å; N404-Y442 HydrophobicContact CB-CE1 4.16Å; N404-Y442 HydrophobicContact CB-CE2 4.24Å; N404-Y442 HydrophobicContact CB-CG 4.43Å; N404-Y442 WeakPolarHBondContact ND2-CE1 3.37Å; N404-Y442 WeakPolarHBondContact OD1-CD1 3.36Å; N404-Y442 VanDerWaalsContact OD1-CE1 3.31Å; N404-Y442 WeakPolarHBondContact OD1-CE1 3.31Å; N404-Y442 PolarHBondContact OD1-N 3.5Å | ||
| 405 | L | 90.1 | Very high | 83.1 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 108.2 | 168.1 | 178.9 | 61 | 0 | 0 | 0 | 108.5 | F387 L401 L433 Y442 I443 Y444 L445 L460 | F387-L405 HydrophobicContact CD1-CD1 4.49Å; F387-L405 HydrophobicContact CD2-CD1 4.49Å; F387-L405 HydrophobicContact CE1-CD1 3.96Å; F387-L405 HydrophobicContact CE2-CD1 3.98Å; F387-L405 HydrophobicContact CZ-CD1 3.68Å; L401-L405 HydrophobicContact CD2-CB 3.84Å; L401-L405 HydrophobicContact CD2-CD1 4.37Å; L405-L433 HydrophobicContact CD1-CD1 4.11Å; L405-L433 HydrophobicContact CD1-CD2 3.82Å; L405-L433 HydrophobicContact CD2-CD1 4.16Å; L405-Y442 PolarHBondContact N-O 3.43Å; L405-I443 HydrophobicContact CB-CG1 4.16Å; L405-I443 HydrophobicContact CB-CG2 4.42Å; L405-I443 HydrophobicContact CD2-CD1 4.39Å; L405-I443 HydrophobicContact CD2-CG1 4.46Å; L405-I443 HydrophobicContact CD2-CG2 4.16Å; L405-I443 HydrophobicContact CG-CG2 4.45Å; L405-I443 CarbonylContact O-C 3.52Å; L405-I443 WeakPolarHBondContact O-CA 3.42Å; L405-Y444 PolarHBondContact O-N 2.76Å; L405-L445 HydrophobicContact CD2-CD2 4.26Å; L405-L445 HydrophobicContact CG-CD2 4.11Å; L405-L460 HydrophobicContact CD2-CD1 4.24Å; L405-L460 HydrophobicContact CD2-CD2 4.15Å |
| 406 | I | 88.5 | Confident | 82.1 | Confident | 8 Ų | 8 | 45.6 Ų | 45.6 | 4% | 0.041 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 110.4 | -171.7 | -56.1 | 173.8 | 0 | 0 | 0 | 110.1 | S385 N386 F387 N404 T408 Y442 Y444 | S385-I406 WeakPolarHBondContact OG-CD1 3.4Å; N386-I406 VanDerWaalsContact OD1-CG2 3.27Å; N386-I406 WeakPolarHBondContact OD1-CG2 3.48Å; F387-I406 VanDerWaalsContact CD2-O 3.32Å; F387-I406 WeakPolarHBondContact CD2-O 3.44Å; F387-I406 PolarHBondContact N-O 2.9Å; F387-I406 VanDerWaalsContact N-O 3.1Å; N404-I406 HydrophobicContact CB-CD1 3.73Å; N404-I406 HydrophobicContact CB-CG1 3.79Å; I406-T408 HydrophobicContact CG2-CG2 3.93Å; I406-Y442 HydrophobicContact CD1-CE2 3.9Å; I406-Y442 WeakPolarHBondContact CD1-OH 3.48Å; I406-Y442 HydrophobicContact CG1-CE2 3.96Å; I406-Y444 CarbonylContact C-O 3.56Å; I406-Y444 WeakPolarHBondContact CA-O 3.41Å; I406-Y444 HydrophobicContact CG2-CD1 4.34Å |
| 407 | L | 87.7 | Confident | 81.2 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 128.7 | 167.9 | -56.4 | -173.8 | 0 | 0 | 0 | 109.2 | F387 F412 I424 L430 Y444 L445 D446 L447 | F387-L407 HydrophobicContact CB-CD2 3.73Å; F387-L407 HydrophobicContact CG-CD2 4.24Å; L407-F412 HydrophobicContact CB-CE2 4.38Å; L407-F412 HydrophobicContact CB-CZ 4.45Å; L407-F412 HydrophobicContact CD1-CZ 4.26Å; L407-I424 HydrophobicContact CD2-CD1 3.87Å; L407-L430 HydrophobicContact CD1-CD1 4.42Å; L407-L430 HydrophobicContact CD1-CD2 3.69Å; L407-Y444 PolarHBondContact N-O 3.47Å; L407-L445 HydrophobicContact CB-CD2 4.07Å; L407-L445 HydrophobicContact CD1-CD2 3.86Å; L407-L445 HydrophobicContact CG-CD2 3.72Å; L407-D446 PolarHBondContact O-N 3.48Å; L407-L447 HydrophobicContact CD1-CD2 4.09Å |
| 408 | T | 84.1 | Confident | 80.3 | Confident | 17 Ų | 17 | 40 Ų | 40 | 10% | 0.104 | 23% | 0.227 | C | C | . | . | trans | -130.1 | 179.5 | 177.8 | 68 | 0 | 0 | 0 | 0 | 110.6 | N386 I406 E410 S411 F412 Y444 | N386-T408 PolarHBondContact ND2-OG1 3.23Å; N386-T408 WeakPolarHBondContact OD1-CG2 3.37Å; I406-T408 HydrophobicContact CG2-CG2 3.93Å; T408-E410 WeakPolarHBondContact CB-OE2 3.43Å; T408-E410 PolarHBondContact O-N 3.21Å; T408-E410 PolarHBondContact OG1-N 2.92Å; T408-E410 VanDerWaalsContact OG1-N 3.11Å; T408-E410 PolarHBondContact OG1-OE2 3.04Å; T408-S411 PolarHBondContact N-OG 3.28Å; T408-S411 VanDerWaalsContact O-CB 3.3Å; T408-S411 WeakPolarHBondContact O-CB 3.48Å; T408-S411 PolarHBondContact O-N 3.35Å; T408-F412 WeakPolarHBondContact O-CD2 3.5Å; T408-F412 WeakPolarHBondContact O-CE2 3.31Å; T408-Y444 HydrophobicContact CG2-CD1 4.45Å; T408-Y444 HydrophobicContact CG2-CE1 4.25Å | ||
| 409 | K | 78.2 | Confident | 79.1 | Confident | 83 Ų | 83 | 45.4 Ų | 45.4 | 36% | 0.361 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -22.4 | 170.1 | -54.8 | -167.2 | -178.2 | -166.6 | 0 | 113.5 | N413 D446 E448 L449 | K409-N413 PolarHBondContact O-ND2 3.38Å; K409-D446 WeakPolarHBondContact CE-OD2 3.44Å; K409-D446 WeakPolarHBondContact CG-OD2 3.28Å; K409-E448 WeakPolarHBondContact CE-OE2 3.5Å; K409-E448 IonicContact NZ-OE1 3.84Å; K409-E448 PolarHBondContact NZ-OE1 2.87Å; K409-E448 IonicContact NZ-OE2 3.2Å; K409-E448 PolarHBondContact NZ-OE2 3.41Å; K409-L449 HydrophobicContact CB-CD1 4.15Å; K409-L449 HydrophobicContact CG-CD1 4.46Å |
| 410 | E | 76.1 | Confident | 78.1 | Confident | 93 Ų | 93 | 49.6 Ų | 49.6 | 44% | 0.435 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -17.2 | 170.8 | -56.9 | 103.7 | 163.5 | 0 | 0 | 113.5 | M384 N386 T408 F412 H421 | M384-E410 HydrophobicContact CE-CB 4.42Å; M384-E410 HydrophobicContact CE-CG 4.5Å; M384-E410 HydrophobicContact SD-CB 4.48Å; N386-E410 PolarHBondContact ND2-OE2 2.99Å; N386-E410 VanDerWaalsContact ND2-OE2 3.07Å; T408-E410 WeakPolarHBondContact CB-OE2 3.43Å; T408-E410 PolarHBondContact O-N 3.21Å; T408-E410 PolarHBondContact OG1-N 2.92Å; T408-E410 VanDerWaalsContact OG1-N 3.11Å; T408-E410 PolarHBondContact OG1-OE2 3.04Å; E410-F412 VanDerWaalsContact C-N 3.31Å; E410-H421 PolarHBondContact O-CE1 3.3Å; E410-H421 PolarHBondContact O-NE2 2.85Å |
| 411 | S | 83.7 | Confident | 77.5 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -20.5 | 175.3 | -69 | 0 | 0 | 0 | 0 | 113.9 | F387 T408 I424 | F387-S411 WeakPolarHBondContact O-CA 3.39Å; F387-S411 WeakPolarHBondContact O-CB 3.37Å; F387-S411 PolarHBondContact O-OG 3.3Å; T408-S411 PolarHBondContact N-OG 3.28Å; T408-S411 VanDerWaalsContact O-CB 3.3Å; T408-S411 WeakPolarHBondContact O-CB 3.48Å; T408-S411 PolarHBondContact O-N 3.35Å; S411-I424 WeakPolarHBondContact O-CB 3.44Å; S411-I424 PolarHBondContact O-N 3.28Å |
| 412 | F | 83.2 | Confident | 77.2 | Confident | 20 Ų | 20 | 52.3 Ų | 52.3 | 9% | 0.088 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -111.3 | -2.4 | -176.2 | -53.4 | -86 | 0 | 0 | 0 | 113.3 | L407 T408 E410 I424 D446 L447 L449 L450 | L407-F412 HydrophobicContact CB-CE2 4.38Å; L407-F412 HydrophobicContact CB-CZ 4.45Å; L407-F412 HydrophobicContact CD1-CZ 4.26Å; T408-F412 WeakPolarHBondContact O-CD2 3.5Å; T408-F412 WeakPolarHBondContact O-CE2 3.31Å; E410-F412 VanDerWaalsContact C-N 3.31Å; F412-I424 WeakPolarHBondContact CA-O 3.23Å; F412-I424 HydrophobicContact CD1-CB 3.85Å; F412-I424 HydrophobicContact CD1-CG2 3.97Å; F412-I424 WeakPolarHBondContact CD1-O 3.43Å; F412-I424 HydrophobicContact CE1-CB 4.05Å; F412-I424 HydrophobicContact CE1-CG2 3.81Å; F412-D446 WeakPolarHBondContact CE2-O 3.3Å; F412-L447 HydrophobicContact CZ-CD2 4.19Å; F412-L449 HydrophobicContact CB-CB 3.94Å; F412-L449 HydrophobicContact CB-CD1 3.77Å; F412-L449 HydrophobicContact CD2-CB 4.32Å; F412-L449 HydrophobicContact CD2-CD1 4.3Å; F412-L449 HydrophobicContact CG-CB 4.1Å; F412-L449 HydrophobicContact CG-CD1 4.4Å; F412-L450 HydrophobicContact CD1-CD2 4.17Å; F412-L450 HydrophobicContact CD1-CG 4.3Å; F412-L450 HydrophobicContact CE1-CD1 3.92Å; F412-L450 HydrophobicContact CE1-CD2 3.81Å; F412-L450 HydrophobicContact CE1-CG 3.69Å; F412-L450 HydrophobicContact CZ-CD1 4.18Å; F412-L450 HydrophobicContact CZ-CG 4.22Å |
| 413 | N | 78.5 | Confident | 77.1 | Confident | 78 Ų | 78 | 50.3 Ų | 50.3 | 42% | 0.417 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -124.4 | 139.9 | -179.2 | -72.9 | -68.3 | 0 | 0 | 0 | 110.9 | K409 S415 H421 L449 | K409-N413 PolarHBondContact O-ND2 3.38Å; N413-S415 PolarHBondContact O-N 3.44Å; N413-S415 VanDerWaalsContact O-N 3.16Å; N413-H421 PolarHBondContact O-NE2 2.99Å; N413-L449 WeakPolarHBondContact ND2-CD1 3.39Å |
| 414 | P | 70.6 | Confident | 77.2 | Confident | 100 Ų | 100 | 49.1 Ų | 49.1 | 65% | 0.649 | 28% | 0.275 | S | S | * | . | trans | -62.4 | 118.6 | 176.1 | 27 | -33.7 | 0 | 0 | 0 | 110.9 | P423 | P414-P423 HydrophobicContact CB-CG 4.49Š| ||
| 415 | S | 65.4 | Low | 77 | Confident | 27 Ų | 27 | 51.3 Ų | 51.3 | 19% | 0.189 | 29% | 0.29 | C | S | . | . | trans | -78.4 | 124.8 | 179.9 | -173.3 | 0 | 0 | 0 | 0 | 111.6 | N413 D417 L418 | N413-S415 PolarHBondContact O-N 3.44Å; N413-S415 VanDerWaalsContact O-N 3.16Å; S415-D417 PolarHBondContact O-N 3.36Å; S415-D417 PolarHBondContact OG-N 3.28Å; S415-L418 PolarHBondContact O-N 3.45Å | ||
| 416 | S | 64.6 | Low | 76.6 | Confident | 99 Ų | 99 | 54.2 Ų | 54.2 | 69% | 0.692 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -23.6 | 170.7 | 53.5 | 0 | 0 | 0 | 0 | 113.1 | K379 | K379-S416 PolarHBondContact NZ-O 2.98Š|
| 417 | D | 65.9 | Low | 76.4 | Confident | 50 Ų | 50 | 56.3 Ų | 56.3 | 27% | 0.267 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -7.5 | -171.6 | -103.1 | 44.1 | 0 | 0 | 0 | 113.9 | T378 K379 S380 S415 | T378-D417 HydrophobicContact CG2-CB 4.08Å; K379-D417 WeakPolarHBondContact CG-O 3.19Å; K379-D417 PolarHBondContact N-O 3.11Å; S380-D417 VanDerWaalsContact CB-OD2 3.26Å; S380-D417 WeakPolarHBondContact CB-OD2 3.28Å; S380-D417 PolarHBondContact OG-OD2 3.22Å; S415-D417 PolarHBondContact O-N 3.36Å; S415-D417 PolarHBondContact OG-N 3.28Å |
| 418 | L | 63.4 | Low | 76.3 | Confident | 22 Ų | 22 | 62.5 Ų | 62.5 | 12% | 0.115 | 34% | 0.344 | C | S | . | . | trans | -137.2 | 117.6 | -179.8 | -74.2 | 163.4 | 0 | 0 | 0 | 109 | K376 E377 T378 M384 S415 D420 H421 | K376-L418 HydrophobicContact CB-CD2 4.06Å; E377-L418 WeakPolarHBondContact O-CD2 3.45Å; T378-L418 HydrophobicContact CG2-CD1 4.29Å; T378-L418 HydrophobicContact CG2-CG 4.2Å; M384-L418 HydrophobicContact CB-CD1 4.01Å; M384-L418 HydrophobicContact CE-CD1 4.1Å; M384-L418 HydrophobicContact CG-CD1 3.97Å; S415-L418 PolarHBondContact O-N 3.45Å; L418-D420 PolarHBondContact O-N 3.32Å; L418-H421 HydrophobicContact CB-CB 3.83Å; L418-H421 HydrophobicContact CD1-CB 4.47Å | ||
| 419 | T | 62.5 | Low | 76.4 | Confident | 115 Ų | 115 | 63.6 Ų | 63.6 | 71% | 0.706 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -27.8 | -180 | 45.3 | 0 | 0 | 0 | 0 | 113.2 | ||
| 420 | D | 68 | Low | 77 | Confident | 118 Ų | 118 | 59.7 Ų | 59.7 | 63% | 0.631 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.6 | 20.4 | -166.9 | -57.5 | 20.4 | 0 | 0 | 0 | 111.5 | L418 | L418-D420 PolarHBondContact O-N 3.32Š|
| 421 | H | 74.3 | Confident | 77.6 | Confident | 17 Ų | 17 | 62.1 Ų | 62.1 | 8% | 0.079 | 34% | 0.336 | C | S | . | . | trans | -82.3 | 115.5 | 177.1 | 178.5 | 94.4 | 0 | 0 | 0 | 110.5 | E410 N413 L418 | E410-H421 PolarHBondContact O-CE1 3.3Å; E410-H421 PolarHBondContact O-NE2 2.85Å; N413-H421 PolarHBondContact O-NE2 2.99Å; L418-H421 HydrophobicContact CB-CB 3.83Å; L418-H421 HydrophobicContact CD1-CB 4.47Å | ||
| 422 | I | 81.6 | Confident | 77.8 | Confident | 95 Ų | 95 | 62.6 Ų | 62.6 | 49% | 0.487 | 34% | 0.341 | S | S | . | . | trans | -102.4 | 104.8 | 177.3 | -52.4 | 176.1 | 0 | 0 | 0 | 108.6 | D388 L389 | D388-I422 WeakPolarHBondContact CB-O 3.3Å; L389-I422 HydrophobicContact CB-CB 4.23Å; L389-I422 HydrophobicContact CB-CG2 3.91Å; L389-I422 WeakPolarHBondContact CB-O 3.49Å; L389-I422 HydrophobicContact CD2-CG2 4.09Å; L389-I422 HydrophobicContact CG-CG2 4.48Å; L389-I422 PolarHBondContact N-O 2.04Å | ||
| 423 | P | 83.3 | Confident | 78.3 | Confident | 28 Ų | 28 | 61.7 Ų | 61.7 | 18% | 0.182 | 34% | 0.336 | C | S | . | . | trans | -63.7 | 146.6 | -175.1 | 26 | -34.5 | 0 | 0 | 0 | 112.4 | P414 T425 | P414-P423 HydrophobicContact CB-CG 4.49Å; P423-T425 HydrophobicContact CG-CG2 4.45Å; P423-T425 PolarHBondContact O-N 3.49Å | ||
| 424 | I | 85.2 | Confident | 78.8 | Confident | 2 Ų | 2 | 59.8 Ų | 59.8 | 1% | 0.01 | 33% | 0.325 | C | S | . | . | trans | -70.9 | 123.5 | 167.5 | -58.9 | 170.6 | 0 | 0 | 0 | 107.5 | L392 L407 S411 F412 Q429 L430 | L392-I424 HydrophobicContact CD2-CD1 3.87Å; L392-I424 HydrophobicContact CD2-CG1 4.1Å; L407-I424 HydrophobicContact CD2-CD1 3.87Å; S411-I424 WeakPolarHBondContact O-CB 3.44Å; S411-I424 PolarHBondContact O-N 3.28Å; F412-I424 WeakPolarHBondContact CA-O 3.23Å; F412-I424 HydrophobicContact CD1-CB 3.85Å; F412-I424 HydrophobicContact CD1-CG2 3.97Å; F412-I424 WeakPolarHBondContact CD1-O 3.43Å; F412-I424 HydrophobicContact CE1-CB 4.05Å; F412-I424 HydrophobicContact CE1-CG2 3.81Å; I424-Q429 HydrophobicContact CG2-CB 4.36Å; I424-L430 HydrophobicContact CD1-CD2 4.35Å; I424-L430 HydrophobicContact CG2-CD2 4.32Å | ||
| 425 | T | 82.7 | Confident | 79.6 | Confident | 105 Ų | 105 | 56.9 Ų | 56.9 | 64% | 0.644 | 31% | 0.307 | S | S | * | . | trans | -117.8 | -11.4 | -172 | 49.2 | 0 | 0 | 0 | 0 | 114.4 | P423 Q429 | P423-T425 HydrophobicContact CG-CG2 4.45Å; P423-T425 PolarHBondContact O-N 3.49Å; T425-Q429 PolarHBondContact OG1-NE2 3.49Å | ||
| 426 | D | 81.2 | Confident | 80.9 | Confident | 62 Ų | 62 | 55.6 Ų | 55.6 | 33% | 0.332 | 30% | 0.298 | S | S | . | . | trans | -147 | 137.2 | -177 | 178.8 | 12.7 | 0 | 0 | 0 | 111.2 | H428 Q429 | D426-H428 PolarHBondContact O-N 3.26Å; D426-H428 VanDerWaalsContact O-N 3.16Å; D426-H428 IonicContact OD1-CD2 3.85Å; D426-H428 PolarHBondContact OD1-N 2.89Å; D426-H428 WeakPolarHBondContact OD2-CB 3.16Å; D426-H428 IonicContact OD2-CD2 2.99Å; D426-H428 PolarHBondContact OD2-CD2 2.82Å; D426-H428 VanDerWaalsContact OD2-CD2 3.31Å; D426-H428 IonicContact OD2-CG 3.71Å; D426-Q429 HydrophobicContact CB-CG 4.32Å; D426-Q429 VanDerWaalsContact O-CB 3.28Å; D426-Q429 WeakPolarHBondContact O-CB 3.47Å; D426-Q429 PolarHBondContact O-N 3.14Å | ||
| 427 | H | 84.5 | Confident | 82.1 | Confident | 52 Ų | 52 | 58.2 Ų | 58.2 | 24% | 0.241 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -56.2 | -27.6 | 176.2 | 78.1 | -49.6 | 0 | 0 | 0 | 113.6 | Q429 L430 L450 L454 | H427-Q429 PolarHBondContact O-N 3.22Å; H427-L430 WeakPolarHBondContact O-CB 3.44Å; H427-L430 PolarHBondContact O-N 2.61Å; H427-L450 HydrophobicContact CB-CD1 4.48Å; H427-L450 HydrophobicContact CB-CD2 4.26Å; H427-L454 HydrophobicContact CB-CD1 4.12Å |
| 428 | H | 84.7 | Confident | 83.3 | Confident | 130 Ų | 130 | 57.8 Ų | 57.8 | 60% | 0.602 | 29% | 0.289 | S | S | * | . | G | 310 helix | trans | -63.3 | -26.4 | 174.9 | -70.7 | -58.4 | 0 | 0 | 0 | 113 | D426 L430 W431 | D426-H428 PolarHBondContact O-N 3.26Å; D426-H428 VanDerWaalsContact O-N 3.16Å; D426-H428 IonicContact OD1-CD2 3.85Å; D426-H428 PolarHBondContact OD1-N 2.89Å; D426-H428 WeakPolarHBondContact OD2-CB 3.16Å; D426-H428 IonicContact OD2-CD2 2.99Å; D426-H428 PolarHBondContact OD2-CD2 2.82Å; D426-H428 VanDerWaalsContact OD2-CD2 3.31Å; D426-H428 IonicContact OD2-CG 3.71Å; H428-L430 VanDerWaalsContact C-N 3.25Å; H428-L430 PolarHBondContact O-N 3.38Å; H428-W431 WeakPolarHBondContact O-CB 3.44Å; H428-W431 PolarHBondContact O-N 3.44Å; H428-W431 VanDerWaalsContact O-N 3.12Å |
| 429 | Q | 87.7 | Confident | 84.6 | Confident | 40 Ų | 40 | 56.7 Ų | 56.7 | 19% | 0.187 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -66.2 | -30.1 | 177.9 | -62.4 | 163.9 | -1 | 0 | 0 | 111.4 | L389 L392 I424 T425 D426 H427 W431 A432 | L389-Q429 HydrophobicContact CD1-CB 3.84Å; L389-Q429 HydrophobicContact CD1-CG 3.82Å; L392-Q429 HydrophobicContact CD2-CB 4.15Å; L392-Q429 WeakPolarHBondContact CD2-O 3.46Å; I424-Q429 HydrophobicContact CG2-CB 4.36Å; T425-Q429 PolarHBondContact OG1-NE2 3.49Å; D426-Q429 HydrophobicContact CB-CG 4.32Å; D426-Q429 VanDerWaalsContact O-CB 3.28Å; D426-Q429 WeakPolarHBondContact O-CB 3.47Å; D426-Q429 PolarHBondContact O-N 3.14Å; H427-Q429 PolarHBondContact O-N 3.22Å; Q429-W431 PolarHBondContact O-N 3Å; Q429-W431 VanDerWaalsContact O-N 3.13Å; Q429-A432 PolarHBondContact O-N 3.43Å |
| 430 | L | 90.6 | Very high | 85.6 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -63.9 | -15.7 | 175 | -58.9 | -173.9 | 0 | 0 | 0 | 113.2 | L392 L407 I424 H427 H428 A432 L433 L450 F459 | L392-L430 HydrophobicContact CD2-CD2 4.1Å; L407-L430 HydrophobicContact CD1-CD1 4.42Å; L407-L430 HydrophobicContact CD1-CD2 3.69Å; I424-L430 HydrophobicContact CD1-CD2 4.35Å; I424-L430 HydrophobicContact CG2-CD2 4.32Å; H427-L430 WeakPolarHBondContact O-CB 3.44Å; H427-L430 PolarHBondContact O-N 2.61Å; H428-L430 VanDerWaalsContact C-N 3.25Å; H428-L430 PolarHBondContact O-N 3.38Å; L430-A432 PolarHBondContact O-N 2.98Å; L430-A432 VanDerWaalsContact O-N 3.12Å; L430-L433 VanDerWaalsContact O-CB 3.29Å; L430-L433 WeakPolarHBondContact O-CB 3.45Å; L430-L433 WeakPolarHBondContact O-CG 3.4Å; L430-L433 PolarHBondContact O-N 3.37Å; L430-L450 HydrophobicContact CD1-CD1 3.79Å; L430-F459 HydrophobicContact CB-CB 4.3Å; L430-F459 HydrophobicContact CB-CD1 4.33Å; L430-F459 HydrophobicContact CB-CD2 4.01Å; L430-F459 HydrophobicContact CB-CE2 4.44Å; L430-F459 HydrophobicContact CB-CG 3.96Å; L430-F459 HydrophobicContact CD1-CD1 4.27Å; L430-F459 HydrophobicContact CD1-CE1 3.92Å; L430-F459 HydrophobicContact CD1-CE2 4.18Å; L430-F459 HydrophobicContact CD1-CZ 3.89Å |
| 431 | W | 88.4 | Confident | 86.4 | Confident | 144 Ų | 144 | 48.7 Ų | 48.7 | 55% | 0.545 | 24% | 0.241 | S | C | . | . | G | 310 helix | trans | -63.2 | -15.7 | 177 | -162.5 | -101.2 | 0 | 0 | 0 | 113.6 | H428 Q429 L433 H434 F459 | H428-W431 WeakPolarHBondContact O-CB 3.44Å; H428-W431 PolarHBondContact O-N 3.44Å; H428-W431 VanDerWaalsContact O-N 3.12Å; Q429-W431 PolarHBondContact O-N 3Å; Q429-W431 VanDerWaalsContact O-N 3.13Å; W431-L433 PolarHBondContact O-N 3.1Å; W431-L433 VanDerWaalsContact O-N 3.14Å; W431-H434 HydrophobicContact CD2-CB 3.87Å; W431-H434 AromaticContact CE2-CD2 3.94Å; W431-H434 AromaticContact CE2-CG 3.63Å; W431-H434 AromaticContact CE2-ND1 3.89Å; W431-H434 HydrophobicContact CE3-CB 4.25Å; W431-H434 HydrophobicContact CG-CB 4.22Å; W431-H434 AromaticContact CH2-CE1 3.36Å; W431-H434 WeakPolarHBondContact CH2-CE1 3.02Å; W431-H434 AromaticContact CH2-CG 3.85Å; W431-H434 AromaticContact CH2-ND1 3.21Å; W431-H434 WeakPolarHBondContact CH2-ND1 3.49Å; W431-H434 HydrophobicContact CZ2-CB 4.23Å; W431-H434 AromaticContact CZ2-CD2 3.69Å; W431-H434 AromaticContact CZ2-CE1 3.42Å; W431-H434 VanDerWaalsContact CZ2-CE1 3.42Å; W431-H434 WeakPolarHBondContact CZ2-CE1 3.24Å; W431-H434 AromaticContact CZ2-CG 3.52Å; W431-H434 AromaticContact CZ2-ND1 3.36Å; W431-H434 WeakPolarHBondContact CZ2-ND1 3.41Å; W431-H434 AromaticContact CZ2-NE2 3.64Å; W431-H434 AromaticContact CZ3-ND1 3.63Å; W431-H434 VanDerWaalsContact O-CB 3.22Å; W431-H434 WeakPolarHBondContact O-CB 3.34Å; W431-H434 PolarHBondContact O-N 3.44Å; W431-F459 HydrophobicContact CE3-CB 4.31Å |
| 432 | A | 87.7 | Confident | 87 | Confident | 11 Ų | 11 | 49.5 Ų | 49.5 | 9% | 0.091 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -52.6 | -30.8 | 167 | 0 | 0 | 0 | 0 | 0 | 112.7 | L392 L395 I396 Q429 L430 H434 | L392-A432 HydrophobicContact CD1-CB 4.21Å; L392-A432 HydrophobicContact CG-CB 4.11Å; L392-A432 WeakPolarHBondContact O-CB 3.08Å; L395-A432 VanDerWaalsContact O-O 3.09Å; I396-A432 HydrophobicContact CG1-CB 3.77Å; Q429-A432 PolarHBondContact O-N 3.43Å; L430-A432 PolarHBondContact O-N 2.98Å; L430-A432 VanDerWaalsContact O-N 3.12Å; A432-H434 VanDerWaalsContact C-N 3.34Å |
| 433 | L | 92.8 | Very high | 87.5 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -77.4 | -13.7 | 179.8 | -56.5 | 172.4 | 0 | 0 | 0 | 113.9 | L392 L395 L405 L430 W431 S435 L436 F459 L460 | L392-L433 HydrophobicContact CD1-CD1 4.26Å; L392-L433 HydrophobicContact CD1-CD2 3.86Å; L392-L433 HydrophobicContact CD1-CG 3.88Å; L395-L433 HydrophobicContact CD1-CD2 3.69Å; L405-L433 HydrophobicContact CD1-CD1 4.11Å; L405-L433 HydrophobicContact CD1-CD2 3.82Å; L405-L433 HydrophobicContact CD2-CD1 4.16Å; L430-L433 VanDerWaalsContact O-CB 3.29Å; L430-L433 WeakPolarHBondContact O-CB 3.45Å; L430-L433 WeakPolarHBondContact O-CG 3.4Å; L430-L433 PolarHBondContact O-N 3.37Å; W431-L433 PolarHBondContact O-N 3.1Å; W431-L433 VanDerWaalsContact O-N 3.14Å; L433-S435 PolarHBondContact O-N 2.69Å; L433-L436 HydrophobicContact CB-CD1 4.15Å; L433-L436 HydrophobicContact CD2-CD1 3.75Å; L433-L436 VanDerWaalsContact O-CB 3.3Å; L433-L436 WeakPolarHBondContact O-CB 3.29Å; L433-L436 WeakPolarHBondContact O-CG 3.46Å; L433-L436 PolarHBondContact O-N 2.67Å; L433-F459 CarbonylContact C-O 3.46Å; L433-F459 VanDerWaalsContact C-O 3.25Å; L433-F459 HydrophobicContact CB-CD2 4.28Å; L433-F459 HydrophobicContact CD1-CD2 3.8Å; L433-F459 HydrophobicContact CD1-CE2 3.94Å; L433-L460 HydrophobicContact CB-CD2 4.03Å |
| 434 | H | 90.6 | Very high | 87.9 | Confident | 38 Ų | 38 | 46.4 Ų | 46.4 | 18% | 0.176 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -61.8 | -21.9 | -169 | 177.9 | 83.8 | 0 | 0 | 0 | 114.5 | W431 A432 S458 F459 E461 N462 | W431-H434 HydrophobicContact CD2-CB 3.87Å; W431-H434 AromaticContact CE2-CD2 3.94Å; W431-H434 AromaticContact CE2-CG 3.63Å; W431-H434 AromaticContact CE2-ND1 3.89Å; W431-H434 HydrophobicContact CE3-CB 4.25Å; W431-H434 HydrophobicContact CG-CB 4.22Å; W431-H434 AromaticContact CH2-CE1 3.36Å; W431-H434 WeakPolarHBondContact CH2-CE1 3.02Å; W431-H434 AromaticContact CH2-CG 3.85Å; W431-H434 AromaticContact CH2-ND1 3.21Å; W431-H434 WeakPolarHBondContact CH2-ND1 3.49Å; W431-H434 HydrophobicContact CZ2-CB 4.23Å; W431-H434 AromaticContact CZ2-CD2 3.69Å; W431-H434 AromaticContact CZ2-CE1 3.42Å; W431-H434 VanDerWaalsContact CZ2-CE1 3.42Å; W431-H434 WeakPolarHBondContact CZ2-CE1 3.24Å; W431-H434 AromaticContact CZ2-CG 3.52Å; W431-H434 AromaticContact CZ2-ND1 3.36Å; W431-H434 WeakPolarHBondContact CZ2-ND1 3.41Å; W431-H434 AromaticContact CZ2-NE2 3.64Å; W431-H434 AromaticContact CZ3-ND1 3.63Å; W431-H434 VanDerWaalsContact O-CB 3.22Å; W431-H434 WeakPolarHBondContact O-CB 3.34Å; W431-H434 PolarHBondContact O-N 3.44Å; A432-H434 VanDerWaalsContact C-N 3.34Å; H434-S458 PolarHBondContact ND1-O 2.89Å; H434-F459 VanDerWaalsContact CA-O 3.22Å; H434-F459 WeakPolarHBondContact CA-O 3.25Å; H434-F459 PolarHBondContact N-O 3.42Å; H434-E461 IonicContact CE1-OE1 2.65Å; H434-E461 PolarHBondContact CE1-OE1 3.2Å; H434-E461 VanDerWaalsContact CE1-OE1 3.32Å; H434-N462 PolarHBondContact CE1-ND2 2.83Å; H434-N462 PolarHBondContact NE2-ND2 2.95Å; H434-N462 PolarHBondContact O-ND2 3.24Å |
| 435 | S | 87.3 | Confident | 88.2 | Confident | 39 Ų | 39 | 46.3 Ų | 46.3 | 27% | 0.273 | 22% | 0.222 | S | C | . | . | G | 310 helix | trans | -80.1 | -14.1 | 176.3 | -65.2 | 0 | 0 | 0 | 0 | 114.2 | C398 L433 R437 | C398-S435 CarbonylContact O-C 3.57Å; C398-S435 WeakPolarHBondContact O-CB 3.49Å; L433-S435 PolarHBondContact O-N 2.69Å; S435-R437 PolarHBondContact O-N 3.03Å |
| 436 | L | 92.5 | Very high | 88.5 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 20% | 0.195 | C | C | . | . | trans | -66.7 | 131.8 | -173.5 | -70.7 | 172.7 | 0 | 0 | 0 | 111.6 | L395 C398 L401 L433 N462 L463 | L395-L436 HydrophobicContact CD1-CD1 4.39Å; C398-L436 HydrophobicContact CB-CD2 3.89Å; C398-L436 WeakPolarHBondContact O-CA 3.42Å; C398-L436 PolarHBondContact O-N 2.93Å; C398-L436 VanDerWaalsContact O-N 3.1Å; L401-L436 HydrophobicContact CB-CD2 3.92Å; L433-L436 HydrophobicContact CB-CD1 4.15Å; L433-L436 HydrophobicContact CD2-CD1 3.75Å; L433-L436 VanDerWaalsContact O-CB 3.3Å; L433-L436 WeakPolarHBondContact O-CB 3.29Å; L433-L436 WeakPolarHBondContact O-CG 3.46Å; L433-L436 PolarHBondContact O-N 2.67Å; L436-N462 CarbonylContact O-C 3.56Å; L436-L463 WeakPolarHBondContact O-CA 3.5Å; L436-L463 PolarHBondContact O-N 3.34Å | ||
| 437 | R | 90.1 | Very high | 88.8 | Confident | 155 Ų | 155 | 39 Ų | 39 | 59% | 0.585 | 18% | 0.179 | S | C | * | . | trans | -114.3 | -30.1 | 175.2 | -65.9 | -174.8 | 173.1 | -161.3 | -3.8 | 112.4 | T399 S435 V464 K465 | T399-R437 PolarHBondContact O-N 3.11Å; S435-R437 PolarHBondContact O-N 3.03Å; R437-V464 PolarHBondContact O-N 3.16Å; R437-K465 PolarHBondContact O-N 3.02Å; R437-K465 VanDerWaalsContact O-N 3.09Å | ||
| 438 | E | 90.5 | Very high | 88.7 | Confident | 40 Ų | 40 | 40.8 Ų | 40.8 | 19% | 0.187 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 140.3 | 172.7 | -178.8 | 163.1 | 172.7 | 0 | 0 | 112.3 | T399 I400 L401 K465 S467 | T399-E438 PolarHBondContact O-N 3.03Å; I400-E438 WeakPolarHBondContact CA-O 3.42Å; I400-E438 HydrophobicContact CG1-CB 4.5Å; I400-E438 HydrophobicContact CG2-CB 4.44Å; L401-E438 PolarHBondContact N-O 3.43Å; E438-K465 VanDerWaalsContact CA-O 3.32Å; E438-K465 WeakPolarHBondContact CA-O 3.24Å; E438-K465 HydrophobicContact CB-CB 4.37Å; E438-K465 HydrophobicContact CG-CB 4.18Å; E438-K465 HydrophobicContact CG-CG 4.17Å; E438-K465 IonicContact OE1-NZ 3.85Å; E438-K465 PolarHBondContact OE1-NZ 2.68Å; E438-K465 WeakPolarHBondContact OE2-CD 3.36Å; E438-K465 IonicContact OE2-NZ 2.94Å; E438-K465 PolarHBondContact OE2-NZ 2.88Å; E438-S467 PolarHBondContact OE1-OG 3.03Å |
| 439 | V | 89.6 | Confident | 88.5 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 123.2 | 160.4 | 178.4 | 0 | 0 | 0 | 0 | 107.4 | L401 G403 I443 L463 K465 V466 S467 | L401-V439 HydrophobicContact CB-CG2 4.22Å; L401-V439 HydrophobicContact CD2-CG1 4.23Å; L401-V439 HydrophobicContact CD2-CG2 4.31Å; G403-V439 WeakPolarHBondContact O-CG1 3.35Å; V439-I443 HydrophobicContact CB-CD1 4.44Å; V439-I443 HydrophobicContact CB-CG1 4.29Å; V439-I443 HydrophobicContact CG1-CG1 4.22Å; V439-I443 HydrophobicContact CG2-CD1 3.97Å; V439-I443 HydrophobicContact CG2-CG1 4.16Å; V439-L463 HydrophobicContact CG2-CD1 4.02Å; V439-K465 PolarHBondContact N-O 3.34Å; V439-K465 VanDerWaalsContact N-O 3.11Å; V439-V466 HydrophobicContact CB-CG2 4.48Å; V439-V466 WeakPolarHBondContact O-CA 3.43Å; V439-S467 PolarHBondContact O-N 3.31Å |
| 440 | T | 85.2 | Confident | 88.1 | Confident | 55 Ų | 55 | 37.2 Ų | 37.2 | 34% | 0.337 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -78.2 | -29.7 | -173.5 | 64.1 | 0 | 0 | 0 | 0 | 112.9 | I400 L401 E402 G403 S467 G468 | I400-T440 HydrophobicContact CG2-CG2 3.96Å; L401-T440 PolarHBondContact O-N 2.78Å; L401-T440 PolarHBondContact O-OG1 2.83Å; E402-T440 WeakPolarHBondContact CA-OG1 3.44Å; G403-T440 PolarHBondContact N-OG1 2.87Å; T440-S467 CarbonylContact O-C 3.59Å; T440-S467 WeakPolarHBondContact O-CB 3.47Å; T440-G468 PolarHBondContact O-N 3.48Å |
| 441 | G | 84.1 | Confident | 87 | Confident | 10 Ų | 10 | 38.5 Ų | 38.5 | 10% | 0.103 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -90.5 | -137.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | G403 N404 V466 G468 | G403-G441 WeakPolarHBondContact O-CA 3.3Å; G403-G441 PolarHBondContact O-N 2.87Å; N404-G441 WeakPolarHBondContact OD1-CA 3.41Å; G441-V466 WeakPolarHBondContact O-CG1 3.38Å; G441-G468 VanDerWaalsContact O-CA 3.26Å; G441-G468 WeakPolarHBondContact O-CA 3.36Å; G441-G468 PolarHBondContact O-N 2.77Å |
| 442 | Y | 87.1 | Confident | 86.1 | Confident | 34 Ų | 34 | 37.8 Ų | 37.8 | 13% | 0.133 | 19% | 0.194 | C | C | . | . | trans | -112.6 | 167.3 | 178.6 | 64.5 | -94.7 | 0 | 0 | 0 | 113.2 | N404 L405 I406 Y469 L470 S476 | N404-Y442 CarbonylContact C-O 3.3Å; N404-Y442 VanDerWaalsContact CA-O 3.27Å; N404-Y442 WeakPolarHBondContact CA-O 3.22Å; N404-Y442 HydrophobicContact CB-CD1 4.31Å; N404-Y442 HydrophobicContact CB-CD2 4.4Å; N404-Y442 HydrophobicContact CB-CE1 4.16Å; N404-Y442 HydrophobicContact CB-CE2 4.24Å; N404-Y442 HydrophobicContact CB-CG 4.43Å; N404-Y442 WeakPolarHBondContact ND2-CE1 3.37Å; N404-Y442 WeakPolarHBondContact OD1-CD1 3.36Å; N404-Y442 VanDerWaalsContact OD1-CE1 3.31Å; N404-Y442 WeakPolarHBondContact OD1-CE1 3.31Å; N404-Y442 PolarHBondContact OD1-N 3.5Å; L405-Y442 PolarHBondContact N-O 3.43Å; I406-Y442 HydrophobicContact CD1-CE2 3.9Å; I406-Y442 WeakPolarHBondContact CD1-OH 3.48Å; I406-Y442 HydrophobicContact CG1-CE2 3.96Å; Y442-Y469 VanDerWaalsContact CD1-C 3.48Å; Y442-Y469 WeakPolarHBondContact CD1-O 3.34Å; Y442-L470 VanDerWaalsContact CD1-CA 3.5Å; Y442-L470 HydrophobicContact CD1-CB 4.09Å; Y442-L470 HydrophobicContact CD2-CB 3.93Å; Y442-L470 HydrophobicContact CE1-CB 4.22Å; Y442-L470 HydrophobicContact CE1-CD1 4.01Å; Y442-L470 HydrophobicContact CE2-CB 4.09Å; Y442-L470 HydrophobicContact CE2-CD1 3.87Å; Y442-L470 HydrophobicContact CE2-CG 4.46Å; Y442-L470 HydrophobicContact CG-CB 3.94Å; Y442-S476 CarbonylContact C-O 3.54Å; Y442-S476 WeakPolarHBondContact CA-O 3.43Å; Y442-S476 WeakPolarHBondContact CB-O 3.19Å | ||
| 443 | I | 92 | Very high | 85.5 | Confident | 2 Ų | 2 | 39.7 Ų | 39.7 | 1% | 0.01 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 128.5 | 174 | -56.9 | -174.1 | 0 | 0 | 0 | 109.4 | L405 V439 L445 L463 V466 S476 I477 M478 | L405-I443 HydrophobicContact CB-CG1 4.16Å; L405-I443 HydrophobicContact CB-CG2 4.42Å; L405-I443 HydrophobicContact CD2-CD1 4.39Å; L405-I443 HydrophobicContact CD2-CG1 4.46Å; L405-I443 HydrophobicContact CD2-CG2 4.16Å; L405-I443 HydrophobicContact CG-CG2 4.45Å; L405-I443 CarbonylContact O-C 3.52Å; L405-I443 WeakPolarHBondContact O-CA 3.42Å; V439-I443 HydrophobicContact CB-CD1 4.44Å; V439-I443 HydrophobicContact CB-CG1 4.29Å; V439-I443 HydrophobicContact CG1-CG1 4.22Å; V439-I443 HydrophobicContact CG2-CD1 3.97Å; V439-I443 HydrophobicContact CG2-CG1 4.16Å; I443-L445 HydrophobicContact CG2-CD1 4.14Å; I443-L445 HydrophobicContact CG2-CD2 4.02Å; I443-L445 HydrophobicContact CG2-CG 3.77Å; I443-L463 HydrophobicContact CD1-CD2 3.5Å; I443-V466 HydrophobicContact CD1-CG2 3.64Å; I443-V466 HydrophobicContact CG1-CG1 4.18Å; I443-V466 HydrophobicContact CG1-CG2 4.16Å; I443-S476 PolarHBondContact N-O 3.16Å; I443-I477 HydrophobicContact CB-CB 4.48Å; I443-I477 HydrophobicContact CB-CG1 4.33Å; I443-I477 HydrophobicContact CB-CG2 4.26Å; I443-I477 HydrophobicContact CD1-CG1 4.45Å; I443-I477 HydrophobicContact CG2-CG2 4.36Å; I443-I477 CarbonylContact O-C 3.52Å; I443-I477 WeakPolarHBondContact O-CA 3.48Å; I443-M478 PolarHBondContact O-N 2.9Å |
| 444 | Y | 91.1 | Very high | 85.1 | Confident | 55 Ų | 55 | 40 Ų | 40 | 22% | 0.216 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 117.7 | 171.5 | -179 | -82.1 | 0 | 0 | 0 | 109 | L405 I406 L407 T408 D446 M478 I480 | L405-Y444 PolarHBondContact O-N 2.76Å; I406-Y444 CarbonylContact C-O 3.56Å; I406-Y444 WeakPolarHBondContact CA-O 3.41Å; I406-Y444 HydrophobicContact CG2-CD1 4.34Å; L407-Y444 PolarHBondContact N-O 3.47Å; T408-Y444 HydrophobicContact CG2-CD1 4.45Å; T408-Y444 HydrophobicContact CG2-CE1 4.25Å; Y444-D446 HydrophobicContact CE1-CB 4.19Å; Y444-M478 CarbonylContact C-O 3.55Å; Y444-M478 WeakPolarHBondContact CA-O 3.44Å; Y444-M478 HydrophobicContact CD2-CB 4Å; Y444-M478 HydrophobicContact CD2-CG 4.11Å; Y444-M478 HydrophobicContact CD2-SD 4.07Å; Y444-M478 HydrophobicContact CE2-CE 4.24Å; Y444-M478 HydrophobicContact CE2-CG 4.19Å; Y444-M478 HydrophobicContact CE2-SD 3.86Å; Y444-I480 WeakPolarHBondContact OH-CD1 3.32Å |
| 445 | L | 91.4 | Very high | 84.8 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 109.2 | -178.5 | -49.7 | 178.5 | 0 | 0 | 0 | 110.3 | L405 L407 I443 L447 F459 L460 M478 I479 I480 | L405-L445 HydrophobicContact CD2-CD2 4.26Å; L405-L445 HydrophobicContact CG-CD2 4.11Å; L407-L445 HydrophobicContact CB-CD2 4.07Å; L407-L445 HydrophobicContact CD1-CD2 3.86Å; L407-L445 HydrophobicContact CG-CD2 3.72Å; I443-L445 HydrophobicContact CG2-CD1 4.14Å; I443-L445 HydrophobicContact CG2-CD2 4.02Å; I443-L445 HydrophobicContact CG2-CG 3.77Å; L445-L447 HydrophobicContact CB-CD1 4Å; L445-L447 HydrophobicContact CB-CD2 4.05Å; L445-L447 HydrophobicContact CB-CG 3.91Å; L445-L447 HydrophobicContact CD1-CD1 4.38Å; L445-F459 HydrophobicContact CD1-CE2 4.38Å; L445-F459 HydrophobicContact CD1-CZ 4.18Å; L445-L460 HydrophobicContact CD1-CD1 4.29Å; L445-M478 PolarHBondContact N-O 3.12Å; L445-I479 HydrophobicContact CB-CG1 4.35Å; L445-I479 HydrophobicContact CB-CG2 4.5Å; L445-I479 HydrophobicContact CD1-CD1 4.13Å; L445-I479 HydrophobicContact CD1-CG1 4.04Å; L445-I479 HydrophobicContact CG-CG1 4.34Å; L445-I479 WeakPolarHBondContact O-CA 3.48Å; L445-I480 PolarHBondContact O-N 3.03Å |
| 446 | D | 89.4 | Confident | 85 | Confident | 13 Ų | 13 | 46.7 Ų | 46.7 | 7% | 0.07 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 114.1 | 163.2 | -175.1 | -1.5 | 0 | 0 | 0 | 109 | L407 K409 F412 Y444 I480 N481 | L407-D446 PolarHBondContact O-N 3.48Å; K409-D446 WeakPolarHBondContact CE-OD2 3.44Å; K409-D446 WeakPolarHBondContact CG-OD2 3.28Å; F412-D446 WeakPolarHBondContact CE2-O 3.3Å; Y444-D446 HydrophobicContact CE1-CB 4.19Å; D446-I480 HydrophobicContact CB-CD1 3.91Å; D446-I480 HydrophobicContact CB-CG1 3.68Å; D446-N481 WeakPolarHBondContact OD1-CB 3.31Å; D446-N481 PolarHBondContact OD1-ND2 3.03Å |
| 447 | L | 87.7 | Confident | 85 | Confident | 2 Ų | 2 | 46.7 Ų | 46.7 | 1% | 0.01 | 23% | 0.229 | C | C | . | . | trans | -115.4 | 13.9 | -164.3 | -60 | 173.5 | 0 | 0 | 0 | 113.5 | L407 F412 L445 L449 L450 L454 F457 I479 I480 | L407-L447 HydrophobicContact CD1-CD2 4.09Å; F412-L447 HydrophobicContact CZ-CD2 4.19Å; L445-L447 HydrophobicContact CB-CD1 4Å; L445-L447 HydrophobicContact CB-CD2 4.05Å; L445-L447 HydrophobicContact CB-CG 3.91Å; L445-L447 HydrophobicContact CD1-CD1 4.38Å; L447-L449 PolarHBondContact O-N 3.48Å; L447-L449 VanDerWaalsContact O-N 3.14Å; L447-L450 HydrophobicContact CD2-CD1 4.2Å; L447-L450 PolarHBondContact O-N 3.36Å; L447-L454 HydrophobicContact CB-CD2 4.41Å; L447-L454 HydrophobicContact CD1-CD2 3.77Å; L447-L454 HydrophobicContact CG-CD2 4.49Å; L447-F457 HydrophobicContact CD1-CD1 4.08Å; L447-F457 HydrophobicContact CD1-CE1 3.65Å; L447-I479 HydrophobicContact CD1-CG2 3.98Å; L447-I480 PolarHBondContact N-O 3.41Å | ||
| 448 | E | 82.5 | Confident | 85 | Confident | 89 Ų | 89 | 40 Ų | 40 | 42% | 0.416 | 21% | 0.206 | S | C | . | . | G | 310 helix | trans | -50 | -41.6 | -175.4 | -167.7 | 175.5 | 100.5 | 0 | 0 | 113.5 | K409 L450 G451 N481 | K409-E448 WeakPolarHBondContact CE-OE2 3.5Å; K409-E448 IonicContact NZ-OE1 3.84Å; K409-E448 PolarHBondContact NZ-OE1 2.87Å; K409-E448 IonicContact NZ-OE2 3.2Å; K409-E448 PolarHBondContact NZ-OE2 3.41Å; E448-L450 VanDerWaalsContact C-N 3.35Å; E448-L450 PolarHBondContact O-N 2.95Å; E448-G451 PolarHBondContact O-N 3.17Å; E448-N481 HydrophobicContact CB-CB 3.67Å; E448-N481 HydrophobicContact CG-CB 4.24Å |
| 449 | L | 80.4 | Confident | 85.1 | Confident | 81 Ų | 81 | 38.6 Ų | 38.6 | 42% | 0.424 | 20% | 0.199 | S | C | . | . | G | 310 helix | trans | -81.6 | -8.5 | -170.2 | -67.6 | 164 | 0 | 0 | 0 | 114.4 | K409 F412 N413 L447 G451 | K409-L449 HydrophobicContact CB-CD1 4.15Å; K409-L449 HydrophobicContact CG-CD1 4.46Å; F412-L449 HydrophobicContact CB-CB 3.94Å; F412-L449 HydrophobicContact CB-CD1 3.77Å; F412-L449 HydrophobicContact CD2-CB 4.32Å; F412-L449 HydrophobicContact CD2-CD1 4.3Å; F412-L449 HydrophobicContact CG-CB 4.1Å; F412-L449 HydrophobicContact CG-CD1 4.4Å; N413-L449 WeakPolarHBondContact ND2-CD1 3.39Å; L447-L449 PolarHBondContact O-N 3.48Å; L447-L449 VanDerWaalsContact O-N 3.14Å; L449-G451 VanDerWaalsContact C-N 3.35Å |
| 450 | L | 78.6 | Confident | 85.3 | Confident | 14 Ų | 14 | 38.7 Ų | 38.7 | 7% | 0.073 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -81.8 | -16.4 | 170 | -67.5 | 174.5 | 0 | 0 | 0 | 112.6 | F412 H427 L430 L447 E448 S453 L454 | F412-L450 HydrophobicContact CD1-CD2 4.17Å; F412-L450 HydrophobicContact CD1-CG 4.3Å; F412-L450 HydrophobicContact CE1-CD1 3.92Å; F412-L450 HydrophobicContact CE1-CD2 3.81Å; F412-L450 HydrophobicContact CE1-CG 3.69Å; F412-L450 HydrophobicContact CZ-CD1 4.18Å; F412-L450 HydrophobicContact CZ-CG 4.22Å; H427-L450 HydrophobicContact CB-CD1 4.48Å; H427-L450 HydrophobicContact CB-CD2 4.26Å; L430-L450 HydrophobicContact CD1-CD1 3.79Å; L447-L450 HydrophobicContact CD2-CD1 4.2Å; L447-L450 PolarHBondContact O-N 3.36Å; E448-L450 VanDerWaalsContact C-N 3.35Å; E448-L450 PolarHBondContact O-N 2.95Å; L450-S453 WeakPolarHBondContact O-CB 3.31Å; L450-S453 PolarHBondContact O-N 3.46Å; L450-S453 PolarHBondContact O-OG 3.33Å; L450-L454 HydrophobicContact CB-CB 4.21Å; L450-L454 HydrophobicContact CD1-CB 4.44Å; L450-L454 HydrophobicContact CD1-CD2 4.08Å |
| 451 | G | 67.5 | Low | 85.6 | Confident | 26 Ų | 26 | 37.5 Ų | 37.5 | 27% | 0.268 | 19% | 0.19 | S | C | . | . | G | 310 helix | trans | 51.3 | -140.3 | 178 | 0 | 0 | 0 | 0 | 0 | 113.5 | E448 L449 S453 | E448-G451 PolarHBondContact O-N 3.17Å; L449-G451 VanDerWaalsContact C-N 3.35Å; G451-S453 PolarHBondContact O-N 3.04Å |
| 452 | D | 69.4 | Low | 85.8 | Confident | 130 Ų | 130 | 38.7 Ų | 38.7 | 70% | 0.695 | 19% | 0.194 | S | C | * | . | G | 310 helix | trans | -76.2 | 0.8 | -176.1 | -56.8 | -43.5 | 0 | 0 | 0 | 114.4 | K483 | D452-K483 WeakPolarHBondContact OD1-CG 3.34Š|
| 453 | S | 76.3 | Confident | 86.1 | Confident | 51 Ų | 51 | 37.1 Ų | 37.1 | 36% | 0.357 | 19% | 0.188 | S | C | . | . | G | 310 helix | trans | -68.8 | -37.8 | 174.6 | 70 | 0 | 0 | 0 | 0 | 111.8 | L450 G451 R455 | L450-S453 WeakPolarHBondContact O-CB 3.31Å; L450-S453 PolarHBondContact O-N 3.46Å; L450-S453 PolarHBondContact O-OG 3.33Å; G451-S453 PolarHBondContact O-N 3.04Å; S453-R455 PolarHBondContact O-N 3.09Å |
| 454 | L | 83.3 | Confident | 86 | Confident | 7 Ų | 7 | 39.7 Ų | 39.7 | 4% | 0.037 | 20% | 0.204 | C | C | . | . | trans | -86.9 | 97.2 | -173.4 | -169.9 | 73 | 0 | 0 | 0 | 111.7 | H427 L447 L450 N456 F457 F459 A484 | H427-L454 HydrophobicContact CB-CD1 4.12Å; L447-L454 HydrophobicContact CB-CD2 4.41Å; L447-L454 HydrophobicContact CD1-CD2 3.77Å; L447-L454 HydrophobicContact CG-CD2 4.49Å; L450-L454 HydrophobicContact CB-CB 4.21Å; L450-L454 HydrophobicContact CD1-CB 4.44Å; L450-L454 HydrophobicContact CD1-CD2 4.08Å; L454-N456 WeakPolarHBondContact CD1-O 3.35Å; L454-F457 HydrophobicContact CD2-CD1 4.15Å; L454-F457 HydrophobicContact CD2-CE1 4.06Å; L454-F459 HydrophobicContact CD1-CD1 4.2Å; L454-F459 HydrophobicContact CD1-CE1 3.92Å; L454-F459 HydrophobicContact CD2-CE1 4.3Å; L454-A484 VanDerWaalsContact O-CA 3.26Å; L454-A484 WeakPolarHBondContact O-CA 3.48Å; L454-A484 PolarHBondContact O-N 2.8Å | ||
| 455 | R | 85.1 | Confident | 85.7 | Confident | 178 Ų | 178 | 39.7 Ų | 39.7 | 67% | 0.672 | 21% | 0.205 | S | C | * | . | trans | -80.4 | -21.9 | -178.1 | -64.2 | -173.6 | 175.6 | -145.9 | -3.1 | 115.3 | S453 A484 H485 | S453-R455 PolarHBondContact O-N 3.09Å; R455-A484 WeakPolarHBondContact O-CA 3.42Å; R455-H485 PolarHBondContact O-N 3.25Å | ||
| 456 | N | 91 | Very high | 85.5 | Confident | 39 Ų | 39 | 39.7 Ų | 39.7 | 21% | 0.209 | 21% | 0.205 | C | C | . | . | B | Isolated β-bridge | trans | -164.9 | 176.3 | -176.5 | 59.4 | 66 | 0 | 0 | 0 | 111.2 | L454 S458 F486 | L454-N456 WeakPolarHBondContact CD1-O 3.35Å; N456-S458 WeakPolarHBondContact OD1-CB 3.46Å; N456-S458 PolarHBondContact OD1-N 3.25Å; N456-S458 PolarHBondContact OD1-OG 3.18Å; N456-F486 VanDerWaalsContact CA-O 3.23Å; N456-F486 WeakPolarHBondContact CA-O 3.49Å; N456-F486 HydrophobicContact CB-CD1 4.21Å; N456-F486 HydrophobicContact CB-CD2 3.82Å; N456-F486 HydrophobicContact CB-CE1 4Å; N456-F486 HydrophobicContact CB-CE2 3.59Å; N456-F486 HydrophobicContact CB-CG 4.13Å; N456-F486 HydrophobicContact CB-CZ 3.7Å; N456-F486 WeakPolarHBondContact CB-O 3.42Å; N456-F486 WeakPolarHBondContact ND2-CZ 3.48Å |
| 457 | F | 93.4 | Very high | 85 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.209 | C | C | . | . | trans | -103.9 | 29.4 | 176.7 | -41.7 | -58.4 | 0 | 0 | 0 | 113.3 | L447 L454 F459 L460 I479 S482 A484 P487 L489 F502 L508 | L447-F457 HydrophobicContact CD1-CD1 4.08Å; L447-F457 HydrophobicContact CD1-CE1 3.65Å; L454-F457 HydrophobicContact CD2-CD1 4.15Å; L454-F457 HydrophobicContact CD2-CE1 4.06Å; F457-F459 HydrophobicContact CB-CE1 4.1Å; F457-F459 HydrophobicContact CB-CZ 4.37Å; F457-F459 HydrophobicContact CD1-CE1 4.09Å; F457-F459 HydrophobicContact CD1-CZ 4.34Å; F457-F459 PolarHBondContact O-N 2.94Å; F457-L460 PolarHBondContact O-N 2.76Å; F457-I479 HydrophobicContact CD2-CD1 4.25Å; F457-I479 HydrophobicContact CE1-CG2 3.87Å; F457-I479 HydrophobicContact CE2-CD1 4.44Å; F457-I479 HydrophobicContact CE2-CG2 4.05Å; F457-I479 HydrophobicContact CZ-CG2 3.59Å; F457-S482 WeakPolarHBondContact CE1-OG 3.4Å; F457-A484 HydrophobicContact CE1-CB 3.86Å; F457-A484 HydrophobicContact CE2-CB 4.38Å; F457-A484 HydrophobicContact CZ-CB 3.74Å; F457-P487 CarbonylContact C-O 3.56Å; F457-P487 WeakPolarHBondContact CA-O 3.3Å; F457-P487 VanDerWaalsContact CB-O 3.27Å; F457-P487 WeakPolarHBondContact CB-O 3.33Å; F457-P487 HydrophobicContact CD2-CB 4.44Å; F457-P487 PolarHBondContact N-O 3.14Å; F457-L489 HydrophobicContact CB-CD2 4.07Å; F457-F502 HydrophobicContact CD2-CE1 4.3Å; F457-F502 HydrophobicContact CE2-CD1 4.32Å; F457-F502 AromaticContact CE2-CE1 3.87Å; F457-F502 HydrophobicContact CE2-CE1 3.87Å; F457-L508 HydrophobicContact CE2-CD1 3.93Å; F457-L508 HydrophobicContact CE2-CD2 3.89Å; F457-L508 HydrophobicContact CZ-CD1 4.4Å; F457-L508 HydrophobicContact CZ-CD2 4.3Å | ||
| 458 | S | 90.6 | Very high | 84.5 | Confident | 15 Ų | 15 | 40.7 Ų | 40.7 | 11% | 0.105 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -69.1 | -5.6 | -177 | -42 | 0 | 0 | 0 | 0 | 113.9 | H434 N456 L460 E461 | H434-S458 PolarHBondContact ND1-O 2.89Å; N456-S458 WeakPolarHBondContact OD1-CB 3.46Å; N456-S458 PolarHBondContact OD1-N 3.25Å; N456-S458 PolarHBondContact OD1-OG 3.18Å; S458-L460 PolarHBondContact O-N 3.36Å; S458-E461 WeakPolarHBondContact O-CB 3.32Å; S458-E461 WeakPolarHBondContact O-CG 3.38Å; S458-E461 PolarHBondContact O-N 2.83Å; S458-E461 VanDerWaalsContact O-N 3.08Å |
| 459 | F | 90.9 | Very high | 84.1 | Confident | 9 Ų | 9 | 39.4 Ų | 39.4 | 4% | 0.039 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -65.2 | -6 | 162.2 | 66.3 | -94.3 | 0 | 0 | 0 | 113 | L430 W431 L433 H434 L445 L454 F457 | L430-F459 HydrophobicContact CB-CB 4.3Å; L430-F459 HydrophobicContact CB-CD1 4.33Å; L430-F459 HydrophobicContact CB-CD2 4.01Å; L430-F459 HydrophobicContact CB-CE2 4.44Å; L430-F459 HydrophobicContact CB-CG 3.96Å; L430-F459 HydrophobicContact CD1-CD1 4.27Å; L430-F459 HydrophobicContact CD1-CE1 3.92Å; L430-F459 HydrophobicContact CD1-CE2 4.18Å; L430-F459 HydrophobicContact CD1-CZ 3.89Å; W431-F459 HydrophobicContact CE3-CB 4.31Å; L433-F459 CarbonylContact C-O 3.46Å; L433-F459 VanDerWaalsContact C-O 3.25Å; L433-F459 HydrophobicContact CB-CD2 4.28Å; L433-F459 HydrophobicContact CD1-CD2 3.8Å; L433-F459 HydrophobicContact CD1-CE2 3.94Å; H434-F459 VanDerWaalsContact CA-O 3.22Å; H434-F459 WeakPolarHBondContact CA-O 3.25Å; H434-F459 PolarHBondContact N-O 3.42Å; L445-F459 HydrophobicContact CD1-CE2 4.38Å; L445-F459 HydrophobicContact CD1-CZ 4.18Å; L454-F459 HydrophobicContact CD1-CD1 4.2Å; L454-F459 HydrophobicContact CD1-CE1 3.92Å; L454-F459 HydrophobicContact CD2-CE1 4.3Å; F457-F459 HydrophobicContact CB-CE1 4.1Å; F457-F459 HydrophobicContact CB-CZ 4.37Å; F457-F459 HydrophobicContact CD1-CE1 4.09Å; F457-F459 HydrophobicContact CD1-CZ 4.34Å; F457-F459 PolarHBondContact O-N 2.94Å |
| 460 | L | 94 | Very high | 83.9 | Confident | 3 Ų | 3 | 37 Ų | 37 | 2% | 0.016 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -122.6 | 20.5 | 168.2 | -67.1 | 172.8 | 0 | 0 | 0 | 112.3 | L405 L433 L445 F457 S458 N462 L463 L489 | L405-L460 HydrophobicContact CD2-CD1 4.24Å; L405-L460 HydrophobicContact CD2-CD2 4.15Å; L433-L460 HydrophobicContact CB-CD2 4.03Å; L445-L460 HydrophobicContact CD1-CD1 4.29Å; F457-L460 PolarHBondContact O-N 2.76Å; S458-L460 PolarHBondContact O-N 3.36Å; L460-N462 PolarHBondContact O-N 3.16Å; L460-N462 VanDerWaalsContact O-N 3.08Å; L460-L463 HydrophobicContact CB-CB 4.28Å; L460-L463 HydrophobicContact CB-CD2 4.45Å; L460-L463 WeakPolarHBondContact O-CB 3.35Å; L460-L463 PolarHBondContact O-N 3.33Å; L460-L489 HydrophobicContact CB-CD2 3.77Å |
| 461 | E | 91.1 | Very high | 83.3 | Confident | 30 Ų | 30 | 38.5 Ų | 38.5 | 14% | 0.14 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -22.1 | -174 | 70.3 | 170 | -155.7 | 0 | 0 | 114.6 | H434 S458 G488 R490 S491 | H434-E461 IonicContact CE1-OE1 2.65Å; H434-E461 PolarHBondContact CE1-OE1 3.2Å; H434-E461 VanDerWaalsContact CE1-OE1 3.32Å; S458-E461 WeakPolarHBondContact O-CB 3.32Å; S458-E461 WeakPolarHBondContact O-CG 3.38Å; S458-E461 PolarHBondContact O-N 2.83Å; S458-E461 VanDerWaalsContact O-N 3.08Å; E461-G488 WeakPolarHBondContact CB-O 3.45Å; E461-R490 VanDerWaalsContact CD-CZ 3.45Å; E461-R490 IonicContact OE1-CZ 2.69Å; E461-R490 IonicContact OE1-NH1 2.64Å; E461-R490 PolarHBondContact OE1-NH1 3.22Å; E461-R490 IonicContact OE1-NH2 2.85Å; E461-R490 PolarHBondContact OE1-NH2 3.41Å; E461-R490 IonicContact OE2-CZ 3.15Å; E461-R490 IonicContact OE2-NH1 2.67Å; E461-R490 PolarHBondContact OE2-NH1 3.43Å; E461-R490 IonicContact OE2-NH2 3.23Å; E461-S491 WeakPolarHBondContact O-CB 3.25Å; E461-S491 PolarHBondContact O-N 2.86Å; E461-S491 PolarHBondContact O-OG 2.99Å |
| 462 | N | 89.3 | Confident | 83 | Confident | 34 Ų | 34 | 40.7 Ų | 40.7 | 18% | 0.182 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | -4.7 | 178.7 | -65.9 | -54.7 | 0 | 0 | 0 | 113.6 | H434 L436 L460 V464 | H434-N462 PolarHBondContact CE1-ND2 2.83Å; H434-N462 PolarHBondContact NE2-ND2 2.95Å; H434-N462 PolarHBondContact O-ND2 3.24Å; L436-N462 CarbonylContact O-C 3.56Å; L460-N462 PolarHBondContact O-N 3.16Å; L460-N462 VanDerWaalsContact O-N 3.08Å; N462-V464 PolarHBondContact O-N 2.89Å |
| 463 | L | 93.7 | Very high | 82.9 | Confident | 2 Ų | 2 | 36.3 Ų | 36.3 | 1% | 0.01 | 20% | 0.198 | C | C | . | . | trans | -65.7 | 115.6 | 179 | -178.1 | 68.1 | 0 | 0 | 0 | 109.8 | L436 V439 I443 L460 K465 V466 S491 L492 | L436-L463 WeakPolarHBondContact O-CA 3.5Å; L436-L463 PolarHBondContact O-N 3.34Å; V439-L463 HydrophobicContact CG2-CD1 4.02Å; I443-L463 HydrophobicContact CD1-CD2 3.5Å; L460-L463 HydrophobicContact CB-CB 4.28Å; L460-L463 HydrophobicContact CB-CD2 4.45Å; L460-L463 WeakPolarHBondContact O-CB 3.35Å; L460-L463 PolarHBondContact O-N 3.33Å; L463-K465 WeakPolarHBondContact CD1-O 3.38Å; L463-V466 HydrophobicContact CD1-CG2 4.14Å; L463-V466 HydrophobicContact CD2-CG2 3.8Å; L463-V466 HydrophobicContact CG-CG2 4.2Å; L463-S491 CarbonylContact O-C 3.57Å; L463-L492 HydrophobicContact CD2-CD1 4.14Å; L463-L492 HydrophobicContact CG-CD1 4.06Å; L463-L492 WeakPolarHBondContact O-CA 3.46Å; L463-L492 PolarHBondContact O-N 3.31Å | ||
| 464 | V | 88.5 | Confident | 82.9 | Confident | 56 Ų | 56 | 36.4 Ų | 36.4 | 34% | 0.339 | 19% | 0.19 | S | C | . | . | trans | -95.3 | -39.8 | 179.4 | -176.6 | 0 | 0 | 0 | 0 | 111.2 | R437 N462 S491 R493 Q494 | R437-V464 PolarHBondContact O-N 3.16Å; N462-V464 PolarHBondContact O-N 2.89Å; V464-S491 WeakPolarHBondContact CA-O 3.33Å; V464-R493 PolarHBondContact O-N 2.81Å; V464-Q494 PolarHBondContact O-N 3.34Å | ||
| 465 | K | 86.2 | Confident | 82.7 | Confident | 54 Ų | 54 | 36.2 Ų | 36.2 | 24% | 0.235 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 137.2 | -165.1 | -177.2 | 166.3 | 170.1 | -110.9 | 0 | 113 | R437 E438 V439 L463 S467 Q494 | R437-K465 PolarHBondContact O-N 3.02Å; R437-K465 VanDerWaalsContact O-N 3.09Å; E438-K465 VanDerWaalsContact CA-O 3.32Å; E438-K465 WeakPolarHBondContact CA-O 3.24Å; E438-K465 HydrophobicContact CB-CB 4.37Å; E438-K465 HydrophobicContact CG-CB 4.18Å; E438-K465 HydrophobicContact CG-CG 4.17Å; E438-K465 IonicContact OE1-NZ 3.85Å; E438-K465 PolarHBondContact OE1-NZ 2.68Å; E438-K465 WeakPolarHBondContact OE2-CD 3.36Å; E438-K465 IonicContact OE2-NZ 2.94Å; E438-K465 PolarHBondContact OE2-NZ 2.88Å; V439-K465 PolarHBondContact N-O 3.34Å; V439-K465 VanDerWaalsContact N-O 3.11Å; L463-K465 WeakPolarHBondContact CD1-O 3.38Å; K465-S467 WeakPolarHBondContact CE-OG 3.02Å; K465-S467 PolarHBondContact NZ-OG 3.48Å; K465-S467 VanDerWaalsContact NZ-OG 3.13Å; K465-Q494 VanDerWaalsContact CA-O 3.24Å; K465-Q494 WeakPolarHBondContact CA-O 3.44Å; K465-Q494 HydrophobicContact CB-CB 4.24Å; K465-Q494 HydrophobicContact CD-CB 4.43Å; K465-Q494 HydrophobicContact CG-CB 4.1Å |
| 466 | V | 86.6 | Confident | 82.9 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 109.8 | 167.4 | -178.8 | 0 | 0 | 0 | 0 | 108.2 | V439 G441 I443 L463 S476 I477 L492 Q494 V495 P496 | V439-V466 HydrophobicContact CB-CG2 4.48Å; V439-V466 WeakPolarHBondContact O-CA 3.43Å; G441-V466 WeakPolarHBondContact O-CG1 3.38Å; I443-V466 HydrophobicContact CD1-CG2 3.64Å; I443-V466 HydrophobicContact CG1-CG1 4.18Å; I443-V466 HydrophobicContact CG1-CG2 4.16Å; L463-V466 HydrophobicContact CD1-CG2 4.14Å; L463-V466 HydrophobicContact CD2-CG2 3.8Å; L463-V466 HydrophobicContact CG-CG2 4.2Å; V466-S476 WeakPolarHBondContact CG1-O 3.05Å; V466-I477 HydrophobicContact CB-CD1 4.24Å; V466-I477 HydrophobicContact CB-CG1 4.15Å; V466-I477 HydrophobicContact CG1-CG1 4.13Å; V466-I477 HydrophobicContact CG2-CD1 3.73Å; V466-I477 HydrophobicContact CG2-CG1 3.93Å; V466-L492 HydrophobicContact CG2-CD1 4.43Å; V466-Q494 PolarHBondContact N-O 3.49Å; V466-V495 HydrophobicContact CB-CG2 4.46Å; V466-P496 WeakPolarHBondContact O-CD 3.12Å |
| 467 | S | 80.1 | Confident | 82.9 | Confident | 24 Ų | 24 | 26.1 Ų | 26.1 | 17% | 0.168 | 15% | 0.149 | C | C | . | . | trans | -87.3 | -31.5 | -162.9 | -69.8 | 0 | 0 | 0 | 0 | 114.4 | E438 V439 T440 K465 H497 | E438-S467 PolarHBondContact OE1-OG 3.03Å; V439-S467 PolarHBondContact O-N 3.31Å; T440-S467 CarbonylContact O-C 3.59Å; T440-S467 WeakPolarHBondContact O-CB 3.47Å; K465-S467 WeakPolarHBondContact CE-OG 3.02Å; K465-S467 PolarHBondContact NZ-OG 3.48Å; K465-S467 VanDerWaalsContact NZ-OG 3.13Å; S467-H497 PolarHBondContact O-CE1 2.98Å; S467-H497 PolarHBondContact O-ND1 2.9Å | ||
| 468 | G | 75.2 | Confident | 82.9 | Confident | 13 Ų | 13 | 28 Ų | 28 | 13% | 0.134 | 16% | 0.158 | C | C | . | . | trans | -98.5 | -164.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | T440 G441 S476 | T440-G468 PolarHBondContact O-N 3.48Å; G441-G468 VanDerWaalsContact O-CA 3.26Å; G441-G468 WeakPolarHBondContact O-CA 3.36Å; G441-G468 PolarHBondContact O-N 2.77Å; G468-S476 VanDerWaalsContact O-CB 3.28Å; G468-S476 WeakPolarHBondContact O-CB 3.44Å; G468-S476 PolarHBondContact O-OG 3.41Å | ||
| 469 | Y | 76.2 | Confident | 82.9 | Confident | 61 Ų | 61 | 27.3 Ų | 27.3 | 24% | 0.239 | 15% | 0.153 | C | C | . | . | trans | -153.2 | 150.5 | 174.2 | 63.6 | -86.1 | 0 | 0 | 0 | 112 | M46 Y442 P471 R474 V475 H497 | M46-Y469 HydrophobicContact CE-CE2 3.98Å; Y442-Y469 VanDerWaalsContact CD1-C 3.48Å; Y442-Y469 WeakPolarHBondContact CD1-O 3.34Å; Y469-P471 WeakPolarHBondContact O-CD 3.36Å; Y469-R474 HydrophobicContact CD2-CB 4.23Å; Y469-R474 HydrophobicContact CD2-CG 4.23Å; Y469-R474 HydrophobicContact CE2-CG 4.11Å; Y469-V475 CarbonylContact C-O 3.2Å; Y469-V475 WeakPolarHBondContact CA-O 3.15Å; Y469-H497 HydrophobicContact CD1-CB 3.86Å; Y469-H497 AromaticContact CD1-CD2 3.34Å; Y469-H497 WeakPolarHBondContact CD1-CD2 3.37Å; Y469-H497 AromaticContact CD1-CE1 3.83Å; Y469-H497 AromaticContact CD1-CG 3.35Å; Y469-H497 AromaticContact CD1-ND1 3.67Å; Y469-H497 AromaticContact CD1-NE2 3.66Å; Y469-H497 AromaticContact CE1-CD2 3.46Å; Y469-H497 VanDerWaalsContact CE1-CD2 3.46Å; Y469-H497 WeakPolarHBondContact CE1-CD2 3.37Å; Y469-H497 AromaticContact CE1-CG 3.98Å; Y469-H497 AromaticContact CE1-NE2 3.55Å; Y469-H497 HydrophobicContact CG-CB 4.27Å | ||
| 470 | L | 74.5 | Confident | 82.9 | Confident | 30 Ų | 30 | 27.4 Ų | 27.4 | 16% | 0.157 | 15% | 0.154 | C | C | . | . | B | Isolated β-bridge | trans | -66.1 | 115.7 | 168.8 | 173.2 | 62.9 | 0 | 0 | 0 | 108.8 | Y442 S472 A473 R474 V475 | Y442-L470 VanDerWaalsContact CD1-CA 3.5Å; Y442-L470 HydrophobicContact CD1-CB 4.09Å; Y442-L470 HydrophobicContact CD2-CB 3.93Å; Y442-L470 HydrophobicContact CE1-CB 4.22Å; Y442-L470 HydrophobicContact CE1-CD1 4.01Å; Y442-L470 HydrophobicContact CE2-CB 4.09Å; Y442-L470 HydrophobicContact CE2-CD1 3.87Å; Y442-L470 HydrophobicContact CE2-CG 4.46Å; Y442-L470 HydrophobicContact CG-CB 3.94Å; L470-S472 PolarHBondContact O-N 3.09Å; L470-A473 HydrophobicContact CD2-CB 3.97Å; L470-A473 HydrophobicContact CG-CB 4.37Å; L470-A473 PolarHBondContact O-N 3.32Å; L470-R474 VanDerWaalsContact O-CA 3.25Å; L470-R474 WeakPolarHBondContact O-CA 3.38Å; L470-R474 PolarHBondContact O-N 3.37Å; L470-V475 WeakPolarHBondContact CB-O 3.32Å; L470-V475 PolarHBondContact N-O 3.29Å |
| 471 | P | 67.3 | Low | 82.6 | Confident | 47 Ų | 47 | 28.5 Ų | 28.5 | 31% | 0.305 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -43.4 | -169 | -31.4 | 38.3 | 0 | 0 | 0 | 114.9 | M46 Y469 | M46-P471 HydrophobicContact CE-CB 3.97Å; Y469-P471 WeakPolarHBondContact O-CD 3.36Å |
| 472 | S | 60.7 | Low | 82.4 | Confident | 72 Ų | 72 | 27.1 Ų | 27.1 | 50% | 0.503 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -46.4 | -176.6 | 51.3 | 0 | 0 | 0 | 0 | 113.4 | L470 | L470-S472 PolarHBondContact O-N 3.09Š|
| 473 | A | 68.1 | Low | 82.3 | Confident | 37 Ų | 37 | 29.6 Ų | 29.6 | 31% | 0.306 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -19.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | L470 V475 R499 | L470-A473 HydrophobicContact CD2-CB 3.97Å; L470-A473 HydrophobicContact CG-CB 4.37Å; L470-A473 PolarHBondContact O-N 3.32Å; A473-V475 HydrophobicContact CB-CB 4.13Å; A473-V475 HydrophobicContact CB-CG2 3.7Å; A473-R499 PolarHBondContact O-NH1 2.83Å |
| 474 | R | 75.3 | Confident | 82.1 | Confident | 54 Ų | 54 | 29.5 Ų | 29.5 | 20% | 0.204 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.8 | 51.5 | -162.5 | -57 | -171.8 | -159.9 | 166 | 7 | 112.6 | E45 Y469 L470 R499 | E45-R474 VanDerWaalsContact C-NH2 3.31Å; E45-R474 PolarHBondContact O-NH2 3.1Å; Y469-R474 HydrophobicContact CD2-CB 4.23Å; Y469-R474 HydrophobicContact CD2-CG 4.23Å; Y469-R474 HydrophobicContact CE2-CG 4.11Å; L470-R474 VanDerWaalsContact O-CA 3.25Å; L470-R474 WeakPolarHBondContact O-CA 3.38Å; L470-R474 PolarHBondContact O-N 3.37Å; R474-R499 WeakPolarHBondContact O-CB 3.48Å; R474-R499 PolarHBondContact O-NE 2.77Å; R474-R499 VanDerWaalsContact O-NE 3.1Å |
| 475 | V | 79.3 | Confident | 82.2 | Confident | 3 Ų | 3 | 29.7 Ų | 29.7 | 2% | 0.018 | 16% | 0.159 | C | C | . | . | B | Isolated β-bridge | trans | -121.2 | 130 | -179.4 | 176 | 0 | 0 | 0 | 0 | 109.4 | Y469 L470 A473 I477 M478 R499 I501 | Y469-V475 CarbonylContact C-O 3.2Å; Y469-V475 WeakPolarHBondContact CA-O 3.15Å; L470-V475 WeakPolarHBondContact CB-O 3.32Å; L470-V475 PolarHBondContact N-O 3.29Å; A473-V475 HydrophobicContact CB-CB 4.13Å; A473-V475 HydrophobicContact CB-CG2 3.7Å; V475-I477 WeakPolarHBondContact CG1-O 3.06Å; V475-M478 HydrophobicContact CG1-CB 3.95Å; V475-R499 HydrophobicContact CG2-CB 4.26Å; V475-I501 HydrophobicContact CG1-CB 4.37Å; V475-I501 HydrophobicContact CG1-CD1 4.4Å; V475-I501 HydrophobicContact CG1-CG1 4.02Å; V475-I501 HydrophobicContact CG2-CD1 3.53Å; V475-I501 HydrophobicContact CG2-CG1 3.98Å |
| 476 | S | 88.3 | Confident | 82.5 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -84.2 | -34.1 | 178.4 | -64.5 | 0 | 0 | 0 | 0 | 113.2 | Y442 I443 V466 G468 V495 R499 | Y442-S476 CarbonylContact C-O 3.54Å; Y442-S476 WeakPolarHBondContact CA-O 3.43Å; Y442-S476 WeakPolarHBondContact CB-O 3.19Å; I443-S476 PolarHBondContact N-O 3.16Å; V466-S476 WeakPolarHBondContact CG1-O 3.05Å; G468-S476 VanDerWaalsContact O-CB 3.28Å; G468-S476 WeakPolarHBondContact O-CB 3.44Å; G468-S476 PolarHBondContact O-OG 3.41Å; S476-V495 WeakPolarHBondContact OG-CG1 3.3Å; S476-R499 PolarHBondContact N-O 3.24Å |
| 477 | I | 92.7 | Very high | 82.8 | Confident | 4 Ų | 4 | 29.2 Ų | 29.2 | 2% | 0.021 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 121.2 | 178.1 | -55.2 | 176.1 | 0 | 0 | 0 | 108.3 | I443 V466 V475 I479 L492 V495 R499 V500 I501 | I443-I477 HydrophobicContact CB-CB 4.48Å; I443-I477 HydrophobicContact CB-CG1 4.33Å; I443-I477 HydrophobicContact CB-CG2 4.26Å; I443-I477 HydrophobicContact CD1-CG1 4.45Å; I443-I477 HydrophobicContact CG2-CG2 4.36Å; I443-I477 CarbonylContact O-C 3.52Å; I443-I477 WeakPolarHBondContact O-CA 3.48Å; V466-I477 HydrophobicContact CB-CD1 4.24Å; V466-I477 HydrophobicContact CB-CG1 4.15Å; V466-I477 HydrophobicContact CG1-CG1 4.13Å; V466-I477 HydrophobicContact CG2-CD1 3.73Å; V466-I477 HydrophobicContact CG2-CG1 3.93Å; V475-I477 WeakPolarHBondContact CG1-O 3.06Å; I477-I479 HydrophobicContact CG2-CD1 4.03Å; I477-I479 HydrophobicContact CG2-CG1 4.04Å; I477-L492 HydrophobicContact CD1-CD1 4.25Å; I477-L492 HydrophobicContact CD1-CD2 3.8Å; I477-V495 HydrophobicContact CD1-CG2 4.12Å; I477-R499 PolarHBondContact N-O 2.95Å; I477-V500 HydrophobicContact CB-CB 4.43Å; I477-V500 HydrophobicContact CB-CG1 4.08Å; I477-V500 HydrophobicContact CB-CG2 4.12Å; I477-V500 HydrophobicContact CD1-CG2 4.11Å; I477-V500 HydrophobicContact CG1-CG2 4.32Å; I477-V500 HydrophobicContact CG2-CG1 4.3Å; I477-V500 CarbonylContact O-C 3.35Å; I477-V500 VanDerWaalsContact O-CA 3.29Å; I477-V500 WeakPolarHBondContact O-CA 3.49Å; I477-I501 PolarHBondContact O-N 3.14Å |
| 478 | M | 91.5 | Very high | 83.3 | Confident | 39 Ų | 39 | 28 Ų | 28 | 19% | 0.192 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 120.9 | 175 | -172.8 | 160.7 | 173.7 | 0 | 0 | 109.3 | I443 Y444 L445 V475 I480 I501 | I443-M478 PolarHBondContact O-N 2.9Å; Y444-M478 CarbonylContact C-O 3.55Å; Y444-M478 WeakPolarHBondContact CA-O 3.44Å; Y444-M478 HydrophobicContact CD2-CB 4Å; Y444-M478 HydrophobicContact CD2-CG 4.11Å; Y444-M478 HydrophobicContact CD2-SD 4.07Å; Y444-M478 HydrophobicContact CE2-CE 4.24Å; Y444-M478 HydrophobicContact CE2-CG 4.19Å; Y444-M478 HydrophobicContact CE2-SD 3.86Å; L445-M478 PolarHBondContact N-O 3.12Å; V475-M478 HydrophobicContact CG1-CB 3.95Å; M478-I480 HydrophobicContact CE-CG2 3.84Å; M478-I480 HydrophobicContact CG-CG2 3.96Å; M478-I501 WeakPolarHBondContact CA-O 3.33Å; M478-I501 HydrophobicContact CG-CB 4.5Å |
| 479 | I | 92.2 | Very high | 84.2 | Confident | 1 Ų | 1 | 27.6 Ų | 27.6 | 1% | 0.005 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 120.1 | -178.8 | -58.7 | 178.7 | 0 | 0 | 0 | 108.8 | L445 L447 F457 I477 I501 F502 H503 N505 | L445-I479 HydrophobicContact CB-CG1 4.35Å; L445-I479 HydrophobicContact CB-CG2 4.5Å; L445-I479 HydrophobicContact CD1-CD1 4.13Å; L445-I479 HydrophobicContact CD1-CG1 4.04Å; L445-I479 HydrophobicContact CG-CG1 4.34Å; L445-I479 WeakPolarHBondContact O-CA 3.48Å; L447-I479 HydrophobicContact CD1-CG2 3.98Å; F457-I479 HydrophobicContact CD2-CD1 4.25Å; F457-I479 HydrophobicContact CE1-CG2 3.87Å; F457-I479 HydrophobicContact CE2-CD1 4.44Å; F457-I479 HydrophobicContact CE2-CG2 4.05Å; F457-I479 HydrophobicContact CZ-CG2 3.59Å; I477-I479 HydrophobicContact CG2-CD1 4.03Å; I477-I479 HydrophobicContact CG2-CG1 4.04Å; I479-I501 PolarHBondContact N-O 3.36Å; I479-F502 HydrophobicContact CB-CD1 3.99Å; I479-F502 HydrophobicContact CB-CE1 4.17Å; I479-F502 HydrophobicContact CD1-CE1 3.81Å; I479-F502 HydrophobicContact CD1-CZ 4.43Å; I479-F502 HydrophobicContact CG1-CE1 4.41Å; I479-F502 HydrophobicContact CG2-CD1 4.43Å; I479-F502 WeakPolarHBondContact O-CA 3.31Å; I479-H503 PolarHBondContact O-N 2.75Å; I479-N505 PolarHBondContact O-ND2 3.38Å |
| 480 | I | 89.7 | Confident | 84.7 | Confident | 12 Ų | 12 | 26.3 Ų | 26.3 | 6% | 0.062 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 155.1 | -172 | 76.5 | 174.1 | 0 | 0 | 0 | 113.9 | Y444 L445 D446 L447 M478 S482 H503 | Y444-I480 WeakPolarHBondContact OH-CD1 3.32Å; L445-I480 PolarHBondContact O-N 3.03Å; D446-I480 HydrophobicContact CB-CD1 3.91Å; D446-I480 HydrophobicContact CB-CG1 3.68Å; L447-I480 PolarHBondContact N-O 3.41Å; M478-I480 HydrophobicContact CE-CG2 3.84Å; M478-I480 HydrophobicContact CG-CG2 3.96Å; I480-S482 VanDerWaalsContact C-N 3.29Å; I480-S482 PolarHBondContact O-N 2.97Å; I480-H503 WeakPolarHBondContact CA-O 3.3Å; I480-H503 WeakPolarHBondContact CB-O 3.3Å; I480-H503 HydrophobicContact CG2-CB 3.88Å |
| 481 | N | 87.7 | Confident | 85.4 | Confident | 26 Ų | 26 | 25.5 Ų | 25.5 | 14% | 0.139 | 14% | 0.135 | C | C | . | . | S | Bend | trans | 60.6 | 21.2 | 171.9 | -59.1 | -39 | 0 | 0 | 0 | 116.7 | D446 E448 H503 Q504 | D446-N481 WeakPolarHBondContact OD1-CB 3.31Å; D446-N481 PolarHBondContact OD1-ND2 3.03Å; E448-N481 HydrophobicContact CB-CB 3.67Å; E448-N481 HydrophobicContact CG-CB 4.24Å; N481-H503 PolarHBondContact N-O 3.42Å; N481-Q504 VanDerWaalsContact CA-O 3.28Å; N481-Q504 WeakPolarHBondContact CA-O 3.3Å; N481-Q504 PolarHBondContact N-O 2.9Å; N481-Q504 PolarHBondContact OD1-OE1 2.81Å |
| 482 | S | 87.8 | Confident | 86.5 | Confident | 1 Ų | 1 | 23.3 Ų | 23.3 | 1% | 0.007 | 12% | 0.121 | C | C | . | . | trans | -84.3 | 148.6 | -179.3 | -163.2 | 0 | 0 | 0 | 0 | 113.9 | F457 I480 A484 N505 | F457-S482 WeakPolarHBondContact CE1-OG 3.4Å; I480-S482 VanDerWaalsContact C-N 3.29Å; I480-S482 PolarHBondContact O-N 2.97Å; S482-A484 WeakPolarHBondContact OG-CB 3.27Å; S482-A484 PolarHBondContact OG-N 3.34Å; S482-N505 WeakPolarHBondContact CA-OD1 3.49Å; S482-N505 WeakPolarHBondContact CB-OD1 3.39Å; S482-N505 PolarHBondContact N-OD1 3.33Å | ||
| 483 | K | 86.8 | Confident | 87.4 | Confident | 85 Ų | 85 | 23.3 Ų | 23.3 | 37% | 0.37 | 11% | 0.11 | S | C | . | . | trans | -91.4 | 3.8 | 167.4 | -56.2 | -57.7 | -173.8 | -170.9 | 0 | 113.6 | D452 N507 | D452-K483 WeakPolarHBondContact OD1-CG 3.34Å; K483-N507 WeakPolarHBondContact O-CB 3.35Å; K483-N507 PolarHBondContact O-ND2 3.08Å | ||
| 484 | A | 89.9 | Confident | 87.9 | Confident | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 11% | 0.114 | C | C | . | . | trans | -55 | 141.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | L454 R455 F457 S482 N507 L508 | L454-A484 VanDerWaalsContact O-CA 3.26Å; L454-A484 WeakPolarHBondContact O-CA 3.48Å; L454-A484 PolarHBondContact O-N 2.8Å; R455-A484 WeakPolarHBondContact O-CA 3.42Å; F457-A484 HydrophobicContact CE1-CB 3.86Å; F457-A484 HydrophobicContact CE2-CB 4.38Å; F457-A484 HydrophobicContact CZ-CB 3.74Å; S482-A484 WeakPolarHBondContact OG-CB 3.27Å; S482-A484 PolarHBondContact OG-N 3.34Å; A484-N507 CarbonylContact O-C 3.21Å; A484-N507 WeakPolarHBondContact O-CB 3.34Å; A484-L508 HydrophobicContact CB-CD1 4.16Å; A484-L508 VanDerWaalsContact O-CA 3.32Å; A484-L508 WeakPolarHBondContact O-CA 3.26Å; A484-L508 PolarHBondContact O-N 3.48Å | ||
| 485 | H | 90.4 | Very high | 88.2 | Confident | 61 Ų | 61 | 23 Ų | 23 | 28% | 0.282 | 11% | 0.105 | S | C | . | . | S | Bend | trans | -91.4 | -25.3 | -178.8 | -69.6 | -71.2 | 0 | 0 | 0 | 113.7 | R455 N507 C509 | R455-H485 PolarHBondContact O-N 3.25Å; H485-N507 WeakPolarHBondContact CA-O 3.37Å; H485-C509 PolarHBondContact O-N 3.18Å |
| 486 | F | 93 | Very high | 87.7 | Confident | 43 Ų | 43 | 26.1 Ų | 26.1 | 19% | 0.189 | 12% | 0.124 | C | C | . | . | B | Isolated β-bridge | trans | -149.8 | 150.3 | 177.6 | 64.5 | -88.5 | 0 | 0 | 0 | 111.8 | N456 L508 Y510 P567 | N456-F486 VanDerWaalsContact CA-O 3.23Å; N456-F486 WeakPolarHBondContact CA-O 3.49Å; N456-F486 HydrophobicContact CB-CD1 4.21Å; N456-F486 HydrophobicContact CB-CD2 3.82Å; N456-F486 HydrophobicContact CB-CE1 4Å; N456-F486 HydrophobicContact CB-CE2 3.59Å; N456-F486 HydrophobicContact CB-CG 4.13Å; N456-F486 HydrophobicContact CB-CZ 3.7Å; N456-F486 WeakPolarHBondContact CB-O 3.42Å; N456-F486 WeakPolarHBondContact ND2-CZ 3.48Å; F486-L508 VanDerWaalsContact C-CD1 3.47Å; F486-Y510 HydrophobicContact CB-CD2 3.48Å; F486-Y510 VanDerWaalsContact CB-CD2 3.48Å; F486-Y510 HydrophobicContact CB-CE2 3.66Å; F486-P567 HydrophobicContact CD1-CG 4.35Å; F486-P567 HydrophobicContact CE1-CG 4.31Å; F486-P567 HydrophobicContact CZ-CG 4.5Å |
| 487 | P | 92.2 | Very high | 86.9 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 15% | 0.146 | C | C | . | . | trans | -62.8 | -51.3 | -178.8 | -26.4 | 33.5 | 0 | 0 | 0 | 115.3 | F457 L489 L508 C509 L511 W565 | F457-P487 CarbonylContact C-O 3.56Å; F457-P487 WeakPolarHBondContact CA-O 3.3Å; F457-P487 VanDerWaalsContact CB-O 3.27Å; F457-P487 WeakPolarHBondContact CB-O 3.33Å; F457-P487 HydrophobicContact CD2-CB 4.44Å; F457-P487 PolarHBondContact N-O 3.14Å; P487-L489 VanDerWaalsContact C-N 3.28Å; P487-L489 HydrophobicContact CB-CG 4.31Å; P487-L489 PolarHBondContact O-N 3.4Å; P487-L508 HydrophobicContact CG-CD1 4.11Å; P487-L508 HydrophobicContact CG-CG 4.5Å; P487-C509 WeakPolarHBondContact CD-O 3.37Å; P487-L511 HydrophobicContact CG-CD2 3.51Å; P487-L511 HydrophobicContact CG-CG 3.78Å; P487-W565 HydrophobicContact CB-CE3 3.92Å; P487-W565 VanDerWaalsContact CD-O 3.3Å; P487-W565 WeakPolarHBondContact CD-O 3.48Å; P487-W565 HydrophobicContact CG-CE3 4.37Å | ||
| 488 | G | 91.2 | Very high | 85.8 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 15% | 0.147 | C | C | . | . | trans | 76.1 | 5.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | E461 R490 W565 | E461-G488 WeakPolarHBondContact CB-O 3.45Å; G488-R490 PolarHBondContact O-N 2.86Å; G488-W565 PolarHBondContact N-O 3.2Å | ||
| 489 | L | 93 | Very high | 85.3 | Confident | 3 Ų | 3 | 33.4 Ų | 33.4 | 2% | 0.016 | 16% | 0.155 | C | C | . | . | trans | -78.1 | 46.1 | -174.8 | -57.4 | 178.2 | 0 | 0 | 0 | 113.3 | F457 L460 P487 S491 L492 F502 W565 | F457-L489 HydrophobicContact CB-CD2 4.07Å; L460-L489 HydrophobicContact CB-CD2 3.77Å; P487-L489 VanDerWaalsContact C-N 3.28Å; P487-L489 HydrophobicContact CB-CG 4.31Å; P487-L489 PolarHBondContact O-N 3.4Å; L489-S491 PolarHBondContact O-N 3.27Å; L489-L492 HydrophobicContact CB-CB 4.27Å; L489-L492 HydrophobicContact CD1-CD2 4.32Å; L489-L492 WeakPolarHBondContact O-CB 3.47Å; L489-L492 PolarHBondContact O-N 3Å; L489-F502 HydrophobicContact CD1-CZ 4.38Å; L489-W565 HydrophobicContact CB-CD2 4.15Å; L489-W565 HydrophobicContact CB-CE3 3.91Å; L489-W565 HydrophobicContact CB-CZ3 4.21Å; L489-W565 HydrophobicContact CD1-CZ3 4.34Å | ||
| 490 | R | 87.2 | Confident | 85.2 | Confident | 35 Ų | 35 | 33.4 Ų | 33.4 | 13% | 0.132 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -26 | -165.6 | 72.5 | 165.3 | -176.9 | -92.7 | -21 | 115.3 | E461 G488 R493 H583 | E461-R490 VanDerWaalsContact CD-CZ 3.45Å; E461-R490 IonicContact OE1-CZ 2.69Å; E461-R490 IonicContact OE1-NH1 2.64Å; E461-R490 PolarHBondContact OE1-NH1 3.22Å; E461-R490 IonicContact OE1-NH2 2.85Å; E461-R490 PolarHBondContact OE1-NH2 3.41Å; E461-R490 IonicContact OE2-CZ 3.15Å; E461-R490 IonicContact OE2-NH1 2.67Å; E461-R490 PolarHBondContact OE2-NH1 3.43Å; E461-R490 IonicContact OE2-NH2 3.23Å; G488-R490 PolarHBondContact O-N 2.86Å; R490-R493 PolarHBondContact O-NH1 3.44Å; R490-R493 PolarHBondContact O-NH2 2.84Å; R490-H583 PolarHBondContact NE-CD2 3.31Å |
| 491 | S | 88.6 | Confident | 85.3 | Confident | 13 Ų | 13 | 34.2 Ų | 34.2 | 9% | 0.091 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | -11.5 | -178.7 | -53.3 | 0 | 0 | 0 | 0 | 114.8 | E461 L463 V464 L489 R493 | E461-S491 WeakPolarHBondContact O-CB 3.25Å; E461-S491 PolarHBondContact O-N 2.86Å; E461-S491 PolarHBondContact O-OG 2.99Å; L463-S491 CarbonylContact O-C 3.57Å; V464-S491 WeakPolarHBondContact CA-O 3.33Å; L489-S491 PolarHBondContact O-N 3.27Å; S491-R493 PolarHBondContact O-N 3.33Å |
| 492 | L | 90.5 | Very high | 85.4 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 15% | 0.153 | C | C | . | . | trans | -68.6 | 122.8 | -171.7 | -171.3 | 70.4 | 0 | 0 | 0 | 110.9 | L463 V466 I477 L489 V495 M534 W565 | L463-L492 HydrophobicContact CD2-CD1 4.14Å; L463-L492 HydrophobicContact CG-CD1 4.06Å; L463-L492 WeakPolarHBondContact O-CA 3.46Å; L463-L492 PolarHBondContact O-N 3.31Å; V466-L492 HydrophobicContact CG2-CD1 4.43Å; I477-L492 HydrophobicContact CD1-CD1 4.25Å; I477-L492 HydrophobicContact CD1-CD2 3.8Å; L489-L492 HydrophobicContact CB-CB 4.27Å; L489-L492 HydrophobicContact CD1-CD2 4.32Å; L489-L492 WeakPolarHBondContact O-CB 3.47Å; L489-L492 PolarHBondContact O-N 3Å; L492-V495 HydrophobicContact CD1-CG2 4.29Å; L492-M534 HydrophobicContact CD2-CE 3.79Å; L492-M534 HydrophobicContact CG-CE 3.82Å; L492-W565 HydrophobicContact CB-CZ2 4.26Å; L492-W565 HydrophobicContact CD2-CH2 4.07Å; L492-W565 HydrophobicContact CD2-CZ2 4.44Å | ||
| 493 | R | 80.5 | Confident | 85.5 | Confident | 73 Ų | 73 | 35.3 Ų | 35.3 | 28% | 0.275 | 16% | 0.163 | S | C | . | . | trans | -136.4 | -27 | -177.7 | -65.2 | -62.9 | 177.5 | -75.2 | -2.7 | 114.2 | V464 R490 S491 | V464-R493 PolarHBondContact O-N 2.81Å; R490-R493 PolarHBondContact O-NH1 3.44Å; R490-R493 PolarHBondContact O-NH2 2.84Å; S491-R493 PolarHBondContact O-N 3.33Å | ||
| 494 | Q | 79.2 | Confident | 85.5 | Confident | 85 Ų | 85 | 35 Ų | 35 | 40% | 0.397 | 16% | 0.163 | S | C | . | . | B | Isolated β-bridge | trans | -125.6 | 118.5 | -172.4 | -65.3 | -175.7 | 4.3 | 0 | 0 | 112.1 | V464 K465 V466 | V464-Q494 PolarHBondContact O-N 3.34Å; K465-Q494 VanDerWaalsContact CA-O 3.24Å; K465-Q494 WeakPolarHBondContact CA-O 3.44Å; K465-Q494 HydrophobicContact CB-CB 4.24Å; K465-Q494 HydrophobicContact CD-CB 4.43Å; K465-Q494 HydrophobicContact CG-CB 4.1Å; V466-Q494 PolarHBondContact N-O 3.49Å |
| 495 | V | 80.7 | Confident | 85.5 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 16% | 0.163 | C | C | . | . | trans | -136.1 | 89.4 | 172.3 | -179.6 | 0 | 0 | 0 | 0 | 106.6 | V466 S476 I477 L492 H497 G498 V500 S533 M534 | V466-V495 HydrophobicContact CB-CG2 4.46Å; S476-V495 WeakPolarHBondContact OG-CG1 3.3Å; I477-V495 HydrophobicContact CD1-CG2 4.12Å; L492-V495 HydrophobicContact CD1-CG2 4.29Å; V495-H497 VanDerWaalsContact C-N 3.3Å; V495-H497 PolarHBondContact O-N 2.82Å; V495-G498 WeakPolarHBondContact O-CA 3.28Å; V495-G498 PolarHBondContact O-N 2.86Å; V495-V500 HydrophobicContact CG1-CG2 4.37Å; V495-V500 HydrophobicContact CG2-CG2 4.37Å; V495-S533 VanDerWaalsContact O-CB 3.22Å; V495-S533 WeakPolarHBondContact O-CB 3.1Å; V495-S533 PolarHBondContact O-OG 3.11Å; V495-M534 HydrophobicContact CB-CE 4.28Å; V495-M534 HydrophobicContact CG2-CE 3.56Å | ||
| 496 | P | 68.7 | Low | 85.4 | Confident | 67 Ų | 67 | 34.9 Ų | 34.9 | 44% | 0.435 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -32.1 | -166.4 | -27.5 | 37.7 | 0 | 0 | 0 | 114.6 | V466 G498 S533 | V466-P496 WeakPolarHBondContact O-CD 3.12Å; P496-G498 VanDerWaalsContact C-N 3.3Å; P496-S533 WeakPolarHBondContact O-CB 3.31Å |
| 497 | H | 71.5 | Confident | 85.3 | Confident | 97 Ų | 97 | 34.4 Ų | 34.4 | 45% | 0.449 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | 2.6 | 174.9 | -60 | 97.9 | 0 | 0 | 0 | 113.6 | S467 Y469 V495 R499 | S467-H497 PolarHBondContact O-CE1 2.98Å; S467-H497 PolarHBondContact O-ND1 2.9Å; Y469-H497 HydrophobicContact CD1-CB 3.86Å; Y469-H497 AromaticContact CD1-CD2 3.34Å; Y469-H497 WeakPolarHBondContact CD1-CD2 3.37Å; Y469-H497 AromaticContact CD1-CE1 3.83Å; Y469-H497 AromaticContact CD1-CG 3.35Å; Y469-H497 AromaticContact CD1-ND1 3.67Å; Y469-H497 AromaticContact CD1-NE2 3.66Å; Y469-H497 AromaticContact CE1-CD2 3.46Å; Y469-H497 VanDerWaalsContact CE1-CD2 3.46Å; Y469-H497 WeakPolarHBondContact CE1-CD2 3.37Å; Y469-H497 AromaticContact CE1-CG 3.98Å; Y469-H497 AromaticContact CE1-NE2 3.55Å; Y469-H497 HydrophobicContact CG-CB 4.27Å; V495-H497 VanDerWaalsContact C-N 3.3Å; V495-H497 PolarHBondContact O-N 2.82Å; H497-R499 PolarHBondContact O-N 2.88Å |
| 498 | G | 69.2 | Low | 85.3 | Confident | 4 Ų | 4 | 34.6 Ų | 34.6 | 4% | 0.041 | 17% | 0.168 | C | C | . | . | trans | 83.2 | -56.2 | 160.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | V495 P496 V500 S533 M534 Q535 | V495-G498 WeakPolarHBondContact O-CA 3.28Å; V495-G498 PolarHBondContact O-N 2.86Å; P496-G498 VanDerWaalsContact C-N 3.3Å; G498-V500 PolarHBondContact O-N 3.22Å; G498-S533 WeakPolarHBondContact CA-O 3.32Å; G498-M534 WeakPolarHBondContact O-CA 3.41Å; G498-Q535 PolarHBondContact O-N 3.18Å | ||
| 499 | R | 82.2 | Confident | 85.3 | Confident | 95 Ų | 95 | 34.7 Ų | 34.7 | 36% | 0.358 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 124.8 | -165.2 | -89.2 | -177.2 | -93.1 | 174.5 | -15.1 | 113.6 | A473 R474 V475 S476 I477 H497 | A473-R499 PolarHBondContact O-NH1 2.83Å; R474-R499 WeakPolarHBondContact O-CB 3.48Å; R474-R499 PolarHBondContact O-NE 2.77Å; R474-R499 VanDerWaalsContact O-NE 3.1Å; V475-R499 HydrophobicContact CG2-CB 4.26Å; S476-R499 PolarHBondContact N-O 3.24Å; I477-R499 PolarHBondContact N-O 2.95Å; H497-R499 PolarHBondContact O-N 2.88Å |
| 500 | V | 89.9 | Confident | 85.3 | Confident | 2 Ų | 2 | 35.3 Ų | 35.3 | 1% | 0.012 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 130.9 | 171.3 | 175.6 | 0 | 0 | 0 | 0 | 107.6 | I477 V495 G498 F502 M534 Q535 I536 T537 | I477-V500 HydrophobicContact CB-CB 4.43Å; I477-V500 HydrophobicContact CB-CG1 4.08Å; I477-V500 HydrophobicContact CB-CG2 4.12Å; I477-V500 HydrophobicContact CD1-CG2 4.11Å; I477-V500 HydrophobicContact CG1-CG2 4.32Å; I477-V500 HydrophobicContact CG2-CG1 4.3Å; I477-V500 CarbonylContact O-C 3.35Å; I477-V500 VanDerWaalsContact O-CA 3.29Å; I477-V500 WeakPolarHBondContact O-CA 3.49Å; V495-V500 HydrophobicContact CG1-CG2 4.37Å; V495-V500 HydrophobicContact CG2-CG2 4.37Å; G498-V500 PolarHBondContact O-N 3.22Å; V500-F502 HydrophobicContact CG1-CD2 4.22Å; V500-F502 HydrophobicContact CG1-CE2 3.65Å; V500-F502 HydrophobicContact CG1-CZ 4.31Å; V500-M534 HydrophobicContact CG2-CG 4.33Å; V500-Q535 PolarHBondContact N-O 3.18Å; V500-I536 HydrophobicContact CB-CG1 4.07Å; V500-I536 HydrophobicContact CG1-CG1 4.27Å; V500-I536 HydrophobicContact CG1-CG2 4.36Å; V500-I536 CarbonylContact O-C 3.59Å; V500-I536 WeakPolarHBondContact O-CA 3.42Å; V500-T537 PolarHBondContact O-N 3.25Å |
| 501 | I | 90.2 | Very high | 85.4 | Confident | 29 Ų | 29 | 33.8 Ų | 33.8 | 15% | 0.149 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 127.8 | 179.6 | -57.9 | -170 | 0 | 0 | 0 | 110.6 | V475 I477 M478 I479 H503 T537 I539 | V475-I501 HydrophobicContact CG1-CB 4.37Å; V475-I501 HydrophobicContact CG1-CD1 4.4Å; V475-I501 HydrophobicContact CG1-CG1 4.02Å; V475-I501 HydrophobicContact CG2-CD1 3.53Å; V475-I501 HydrophobicContact CG2-CG1 3.98Å; I477-I501 PolarHBondContact O-N 3.14Å; M478-I501 WeakPolarHBondContact CA-O 3.33Å; M478-I501 HydrophobicContact CG-CB 4.5Å; I479-I501 PolarHBondContact N-O 3.36Å; I501-H503 HydrophobicContact CG2-CB 4.14Å; I501-T537 WeakPolarHBondContact CA-O 3.37Å; I501-I539 HydrophobicContact CG2-CD1 4.18Å |
| 502 | F | 91.4 | Very high | 85.3 | Confident | 1 Ų | 1 | 35.8 Ų | 35.8 | 0% | 0.004 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 113.8 | 164.4 | -64.7 | -88.3 | 0 | 0 | 0 | 108.3 | F457 I479 L489 V500 L508 L511 I536 T537 V538 I539 | F457-F502 HydrophobicContact CD2-CE1 4.3Å; F457-F502 HydrophobicContact CE2-CD1 4.32Å; F457-F502 AromaticContact CE2-CE1 3.87Å; F457-F502 HydrophobicContact CE2-CE1 3.87Å; I479-F502 HydrophobicContact CB-CD1 3.99Å; I479-F502 HydrophobicContact CB-CE1 4.17Å; I479-F502 HydrophobicContact CD1-CE1 3.81Å; I479-F502 HydrophobicContact CD1-CZ 4.43Å; I479-F502 HydrophobicContact CG1-CE1 4.41Å; I479-F502 HydrophobicContact CG2-CD1 4.43Å; I479-F502 WeakPolarHBondContact O-CA 3.31Å; L489-F502 HydrophobicContact CD1-CZ 4.38Å; V500-F502 HydrophobicContact CG1-CD2 4.22Å; V500-F502 HydrophobicContact CG1-CE2 3.65Å; V500-F502 HydrophobicContact CG1-CZ 4.31Å; F502-L508 HydrophobicContact CB-CD2 4.33Å; F502-L508 HydrophobicContact CD1-CD2 3.47Å; F502-L508 VanDerWaalsContact CD1-CD2 3.47Å; F502-L508 HydrophobicContact CE1-CD2 4.01Å; F502-L508 HydrophobicContact CG-CD2 4.09Å; F502-L511 HydrophobicContact CB-CD1 4.08Å; F502-L511 HydrophobicContact CD1-CD1 4.2Å; F502-L511 HydrophobicContact CD2-CD1 3.68Å; F502-L511 HydrophobicContact CD2-CD2 4Å; F502-L511 HydrophobicContact CE2-CD1 4.11Å; F502-L511 HydrophobicContact CE2-CD2 3.61Å; F502-L511 HydrophobicContact CG-CD1 3.72Å; F502-L511 HydrophobicContact CZ-CD2 3.99Å; F502-I536 HydrophobicContact CD2-CG2 3.8Å; F502-I536 HydrophobicContact CE2-CG2 3.86Å; F502-T537 PolarHBondContact N-O 3.1Å; F502-V538 CarbonylContact O-C 2.97Å; F502-V538 WeakPolarHBondContact O-CA 3.19Å; F502-I539 PolarHBondContact O-N 2.86Å |
| 503 | H | 89.2 | Confident | 85.1 | Confident | 49 Ų | 49 | 37.6 Ų | 37.6 | 23% | 0.227 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 130.7 | -176.8 | 167.6 | -100.5 | 0 | 0 | 0 | 111.2 | I479 I480 N481 I501 N505 I539 | I479-H503 PolarHBondContact O-N 2.75Å; I480-H503 WeakPolarHBondContact CA-O 3.3Å; I480-H503 WeakPolarHBondContact CB-O 3.3Å; I480-H503 HydrophobicContact CG2-CB 3.88Å; N481-H503 PolarHBondContact N-O 3.42Å; I501-H503 HydrophobicContact CG2-CB 4.14Å; H503-N505 PolarHBondContact N-ND2 2.04Å; H503-N505 VanDerWaalsContact N-ND2 3.11Å; H503-N505 PolarHBondContact O-ND2 2.99Å; H503-N505 VanDerWaalsContact O-ND2 3.1Å; H503-I539 CarbonylContact C-O 3.57Å; H503-I539 VanDerWaalsContact CA-O 3.29Å; H503-I539 WeakPolarHBondContact CA-O 3.05Å; H503-I539 HydrophobicContact CB-CB 4.33Å |
| 504 | Q | 87.6 | Confident | 85.5 | Confident | 78 Ų | 78 | 34.2 Ų | 34.2 | 36% | 0.364 | 18% | 0.18 | S | C | . | . | S | Bend | trans | 59.6 | 47.2 | 179.1 | -66.5 | 171.8 | -20.5 | 0 | 0 | 113.1 | N481 P506 I539 D540 | N481-Q504 VanDerWaalsContact CA-O 3.28Å; N481-Q504 WeakPolarHBondContact CA-O 3.3Å; N481-Q504 PolarHBondContact N-O 2.9Å; N481-Q504 PolarHBondContact OD1-OE1 2.81Å; Q504-P506 VanDerWaalsContact C-CD 3.47Å; Q504-P506 VanDerWaalsContact O-CD 3.31Å; Q504-P506 WeakPolarHBondContact O-CD 3.39Å; Q504-I539 PolarHBondContact N-O 3.4Å; Q504-D540 HydrophobicContact CB-CB 4.41Å; Q504-D540 HydrophobicContact CG-CB 3.76Å; Q504-D540 WeakPolarHBondContact CG-OD2 3.47Å; Q504-D540 PolarHBondContact NE2-OD2 2.99Å |
| 505 | N | 88.7 | Confident | 85.5 | Confident | 2 Ų | 2 | 30.5 Ų | 30.5 | 1% | 0.011 | 16% | 0.162 | C | C | . | . | trans | -116.7 | 70.4 | 176 | -58.8 | -78.2 | 0 | 0 | 0 | 110 | I479 S482 H503 N507 L508 D540 P542 | I479-N505 PolarHBondContact O-ND2 3.38Å; S482-N505 WeakPolarHBondContact CA-OD1 3.49Å; S482-N505 WeakPolarHBondContact CB-OD1 3.39Å; S482-N505 PolarHBondContact N-OD1 3.33Å; H503-N505 PolarHBondContact N-ND2 2.04Å; H503-N505 VanDerWaalsContact N-ND2 3.11Å; H503-N505 PolarHBondContact O-ND2 2.99Å; H503-N505 VanDerWaalsContact O-ND2 3.1Å; N505-N507 PolarHBondContact O-N 3.47Å; N505-L508 HydrophobicContact CB-CB 3.77Å; N505-L508 HydrophobicContact CB-CD2 3.73Å; N505-L508 HydrophobicContact CB-CG 4.42Å; N505-L508 VanDerWaalsContact O-CB 3.3Å; N505-L508 WeakPolarHBondContact O-CB 3.36Å; N505-L508 PolarHBondContact O-N 2.91Å; N505-L508 VanDerWaalsContact O-N 3.1Å; N505-D540 PolarHBondContact N-O 2.93Å; N505-P542 WeakPolarHBondContact O-CD 3.31Å | ||
| 506 | P | 88.5 | Confident | 85.6 | Confident | 57 Ų | 57 | 31.6 Ų | 31.6 | 37% | 0.37 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -12.5 | -162.4 | 27.4 | -37.5 | 0 | 0 | 0 | 115.4 | Q504 P542 | Q504-P506 VanDerWaalsContact C-CD 3.47Å; Q504-P506 VanDerWaalsContact O-CD 3.31Å; Q504-P506 WeakPolarHBondContact O-CD 3.39Å; P506-P542 WeakPolarHBondContact O-CB 3.45Å |
| 507 | N | 90.7 | Very high | 86.1 | Confident | 32 Ų | 32 | 29.8 Ų | 29.8 | 17% | 0.171 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98 | -9 | 178.6 | -68.8 | -8.3 | 0 | 0 | 0 | 113.3 | K483 A484 H485 N505 C509 | K483-N507 WeakPolarHBondContact O-CB 3.35Å; K483-N507 PolarHBondContact O-ND2 3.08Å; A484-N507 CarbonylContact O-C 3.21Å; A484-N507 WeakPolarHBondContact O-CB 3.34Å; H485-N507 WeakPolarHBondContact CA-O 3.37Å; N505-N507 PolarHBondContact O-N 3.47Å; N507-C509 PolarHBondContact O-N 3.49Å |
| 508 | L | 92 | Very high | 85.7 | Confident | 5 Ų | 5 | 29.2 Ų | 29.2 | 3% | 0.026 | 16% | 0.155 | C | C | . | . | trans | -85.4 | 92.9 | -158.9 | -172.4 | 64.9 | 0 | 0 | 0 | 113.4 | F457 A484 F486 P487 F502 N505 L511 P542 | F457-L508 HydrophobicContact CE2-CD1 3.93Å; F457-L508 HydrophobicContact CE2-CD2 3.89Å; F457-L508 HydrophobicContact CZ-CD1 4.4Å; F457-L508 HydrophobicContact CZ-CD2 4.3Å; A484-L508 HydrophobicContact CB-CD1 4.16Å; A484-L508 VanDerWaalsContact O-CA 3.32Å; A484-L508 WeakPolarHBondContact O-CA 3.26Å; A484-L508 PolarHBondContact O-N 3.48Å; F486-L508 VanDerWaalsContact C-CD1 3.47Å; P487-L508 HydrophobicContact CG-CD1 4.11Å; P487-L508 HydrophobicContact CG-CG 4.5Å; F502-L508 HydrophobicContact CB-CD2 4.33Å; F502-L508 HydrophobicContact CD1-CD2 3.47Å; F502-L508 VanDerWaalsContact CD1-CD2 3.47Å; F502-L508 HydrophobicContact CE1-CD2 4.01Å; F502-L508 HydrophobicContact CG-CD2 4.09Å; N505-L508 HydrophobicContact CB-CB 3.77Å; N505-L508 HydrophobicContact CB-CD2 3.73Å; N505-L508 HydrophobicContact CB-CG 4.42Å; N505-L508 VanDerWaalsContact O-CB 3.3Å; N505-L508 WeakPolarHBondContact O-CB 3.36Å; N505-L508 PolarHBondContact O-N 2.91Å; N505-L508 VanDerWaalsContact O-N 3.1Å; L508-L511 HydrophobicContact CD2-CD1 3.66Å; L508-L511 HydrophobicContact CG-CD1 3.9Å; L508-P542 WeakPolarHBondContact O-CD 3.43Å; L508-P542 VanDerWaalsContact O-CG 3.27Å; L508-P542 WeakPolarHBondContact O-CG 3.17Å | ||
| 509 | C | 92.7 | Very high | 85 | Confident | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.014 | 19% | 0.188 | C | C | . | . | trans | -85.6 | -171.1 | -178.8 | -73.3 | 0 | 0 | 0 | 0 | 113.4 | H485 P487 N507 L511 C547 Y552 | H485-C509 PolarHBondContact O-N 3.18Å; P487-C509 WeakPolarHBondContact CD-O 3.37Å; N507-C509 PolarHBondContact O-N 3.49Å; C509-L511 PolarHBondContact O-N 3.31Å; C509-C547 WeakPolarHBondContact CA-SG 3.26Å; C509-C547 HydrophobicContact CB-CB 3.79Å; C509-C547 WeakPolarHBondContact CB-SG 3.4Å; C509-C547 WeakPolarHBondContact SG-CA 3.12Å; C509-C547 WeakPolarHBondContact SG-CB 3.37Å; C509-C547 CovalentContact SG-SG 2.04Å; C509-C547 PolarHBondContact SG-SG 2.95Å; C509-Y552 HydrophobicContact CB-CD2 4.14Å; C509-Y552 HydrophobicContact CB-CG 4.44Å | ||
| 510 | Y | 92.1 | Very high | 83.4 | Confident | 15 Ų | 15 | 33.5 Ų | 33.5 | 6% | 0.059 | 20% | 0.204 | C | C | . | . | S | Bend | trans | 67.7 | -26 | -179.8 | -51.4 | -90.7 | 0 | 0 | 0 | 116.3 | F486 S512 S513 Y552 P567 | F486-Y510 HydrophobicContact CB-CD2 3.48Å; F486-Y510 VanDerWaalsContact CB-CD2 3.48Å; F486-Y510 HydrophobicContact CB-CE2 3.66Å; Y510-S512 VanDerWaalsContact C-N 3.34Å; Y510-S512 PolarHBondContact O-N 3.36Å; Y510-S513 VanDerWaalsContact O-CB 3.3Å; Y510-S513 WeakPolarHBondContact O-CB 3.43Å; Y510-S513 PolarHBondContact O-N 3.46Å; Y510-S513 PolarHBondContact O-OG 2.75Å; Y510-Y552 HydrophobicContact CE2-CG 4.31Å; Y510-Y552 WeakPolarHBondContact OH-CA 3.34Å; Y510-P567 HydrophobicContact CE1-CB 4.46Å |
| 511 | L | 90 | Very high | 81.4 | Confident | 4 Ų | 4 | 37.4 Ų | 37.4 | 2% | 0.021 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -54.3 | -43 | -178.6 | -73.6 | 174.1 | 0 | 0 | 0 | 113.7 | P487 F502 L508 C509 S513 L514 T517 V538 W565 | P487-L511 HydrophobicContact CG-CD2 3.51Å; P487-L511 HydrophobicContact CG-CG 3.78Å; F502-L511 HydrophobicContact CB-CD1 4.08Å; F502-L511 HydrophobicContact CD1-CD1 4.2Å; F502-L511 HydrophobicContact CD2-CD1 3.68Å; F502-L511 HydrophobicContact CD2-CD2 4Å; F502-L511 HydrophobicContact CE2-CD1 4.11Å; F502-L511 HydrophobicContact CE2-CD2 3.61Å; F502-L511 HydrophobicContact CG-CD1 3.72Å; F502-L511 HydrophobicContact CZ-CD2 3.99Å; L508-L511 HydrophobicContact CD2-CD1 3.66Å; L508-L511 HydrophobicContact CG-CD1 3.9Å; C509-L511 PolarHBondContact O-N 3.31Å; L511-S513 PolarHBondContact O-N 3.44Å; L511-S513 VanDerWaalsContact O-N 3.13Å; L511-L514 HydrophobicContact CD2-CD1 3.88Å; L511-L514 VanDerWaalsContact O-CB 3.27Å; L511-L514 WeakPolarHBondContact O-CB 3.32Å; L511-L514 WeakPolarHBondContact O-CG 3.06Å; L511-L514 PolarHBondContact O-N 2.83Å; L511-T517 WeakPolarHBondContact O-CG2 3.18Å; L511-V538 HydrophobicContact CB-CG2 4.14Å; L511-V538 HydrophobicContact CD1-CG2 3.85Å; L511-W565 HydrophobicContact CD2-CZ3 4.49Å |
| 512 | S | 85.9 | Confident | 79.2 | Confident | 55 Ų | 55 | 40.9 Ų | 40.9 | 39% | 0.385 | 24% | 0.244 | S | C | . | . | G | 310 helix | trans | -65.6 | -12.5 | 179.2 | 52.6 | 0 | 0 | 0 | 0 | 114.7 | Y510 L514 D544 | Y510-S512 VanDerWaalsContact C-N 3.34Å; Y510-S512 PolarHBondContact O-N 3.36Å; S512-L514 VanDerWaalsContact C-N 3.32Å; S512-D544 WeakPolarHBondContact CB-OD1 3.44Å; S512-D544 PolarHBondContact OG-OD1 2.92Å |
| 513 | S | 87.3 | Confident | 77.1 | Confident | 38 Ų | 38 | 45 Ų | 45 | 27% | 0.266 | 27% | 0.273 | S | S | . | . | G | 310 helix | trans | -76.8 | -19.3 | 170.1 | 78.8 | 0 | 0 | 0 | 0 | 113.3 | Y510 L511 C554 G563 C564 | Y510-S513 VanDerWaalsContact O-CB 3.3Å; Y510-S513 WeakPolarHBondContact O-CB 3.43Å; Y510-S513 PolarHBondContact O-N 3.46Å; Y510-S513 PolarHBondContact O-OG 2.75Å; L511-S513 PolarHBondContact O-N 3.44Å; L511-S513 VanDerWaalsContact O-N 3.13Å; S513-C554 PolarHBondContact OG-SG 2.83Å; S513-G563 VanDerWaalsContact O-CA 3.31Å; S513-G563 WeakPolarHBondContact O-CA 3.41Å; S513-G563 WeakPolarHBondContact OG-CA 3.44Å; S513-C564 PolarHBondContact OG-N 3.42Å; S513-C564 VanDerWaalsContact OG-N 3.12Å; S513-C564 PolarHBondContact OG-O 2.97Å |
| 514 | L | 88.2 | Confident | 75.3 | Confident | 2 Ų | 2 | 44.4 Ų | 44.4 | 1% | 0.01 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -81.4 | 133.5 | -172.1 | -59.9 | 173.2 | 0 | 0 | 0 | 110.9 | L511 S512 W516 T517 I536 C564 W565 V573 | L511-L514 HydrophobicContact CD2-CD1 3.88Å; L511-L514 VanDerWaalsContact O-CB 3.27Å; L511-L514 WeakPolarHBondContact O-CB 3.32Å; L511-L514 WeakPolarHBondContact O-CG 3.06Å; L511-L514 PolarHBondContact O-N 2.83Å; S512-L514 VanDerWaalsContact C-N 3.32Å; L514-W516 HydrophobicContact CB-CE3 4.08Å; L514-W516 HydrophobicContact CD2-CZ3 4.26Å; L514-W516 PolarHBondContact O-N 3.25Å; L514-T517 PolarHBondContact O-N 2.85Å; L514-T517 PolarHBondContact O-OG1 2.97Å; L514-I536 HydrophobicContact CB-CD1 4.49Å; L514-I536 HydrophobicContact CD1-CD1 3.89Å; L514-C564 WeakPolarHBondContact CD2-O 3.2Å; L514-W565 HydrophobicContact CD1-CD2 4.03Å; L514-W565 HydrophobicContact CD1-CE3 3.56Å; L514-W565 HydrophobicContact CD1-CH2 3.81Å; L514-W565 HydrophobicContact CD1-CZ2 4.23Å; L514-W565 HydrophobicContact CD1-CZ3 3.45Å; L514-W565 VanDerWaalsContact CD1-CZ3 3.45Å; L514-W565 HydrophobicContact CD2-CD2 4.21Å; L514-W565 HydrophobicContact CD2-CG 4.5Å; L514-V573 HydrophobicContact CD2-CG2 3.59Å |
| 515 | P | 78.6 | Confident | 73.3 | Confident | 6 Ų | 6 | 41.8 Ų | 41.8 | 4% | 0.039 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -13.5 | -173.2 | 28.9 | -38.1 | 0 | 0 | 0 | 113.6 | F525 Y562 | P515-F525 HydrophobicContact CB-CE2 3.91Å; P515-F525 HydrophobicContact CB-CZ 3.72Å; P515-F525 HydrophobicContact CG-CZ 3.85Å; P515-Y562 WeakPolarHBondContact CD-O 3.41Å; P515-Y562 HydrophobicContact CG-CD1 4.32Å |
| 516 | W | 83.3 | Confident | 71.2 | Confident | 23 Ų | 23 | 46.3 Ų | 46.3 | 9% | 0.087 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -8.2 | 176.6 | -52.8 | -72.1 | 0 | 0 | 0 | 114.4 | L514 F525 M534 I536 W565 V573 | L514-W516 HydrophobicContact CB-CE3 4.08Å; L514-W516 HydrophobicContact CD2-CZ3 4.26Å; L514-W516 PolarHBondContact O-N 3.25Å; W516-F525 AromaticContact CD1-CZ 3.6Å; W516-F525 HydrophobicContact CG-CZ 4.35Å; W516-F525 AromaticContact NE1-CE1 3.5Å; W516-F525 AromaticContact NE1-CZ 3.51Å; W516-M534 HydrophobicContact CB-CG 4.14Å; W516-M534 HydrophobicContact CB-SD 4.18Å; W516-M534 HydrophobicContact CD2-CG 4.34Å; W516-M534 HydrophobicContact CD2-SD 3.51Å; W516-M534 VanDerWaalsContact CD2-SD 3.51Å; W516-M534 HydrophobicContact CE3-SD 3.75Å; W516-M534 HydrophobicContact CG-CB 4.11Å; W516-M534 HydrophobicContact CG-CG 3.91Å; W516-M534 HydrophobicContact CG-SD 3.71Å; W516-M534 HydrophobicContact CZ3-SD 4.36Å; W516-I536 HydrophobicContact CB-CB 4.43Å; W516-I536 HydrophobicContact CB-CD1 3.87Å; W516-I536 HydrophobicContact CB-CG1 3.8Å; W516-I536 HydrophobicContact CE3-CD1 4.09Å; W516-I536 PolarHBondContact O-N 2.75Å; W516-W565 HydrophobicContact CE3-CZ2 4.22Å; W516-W565 HydrophobicContact CH2-CZ2 4.45Å; W516-W565 HydrophobicContact CZ3-CH2 4.41Å; W516-W565 AromaticContact CZ3-CZ2 3.65Å; W516-W565 HydrophobicContact CZ3-CZ2 3.65Å; W516-V573 HydrophobicContact CH2-CG1 3.69Å; W516-V573 HydrophobicContact CH2-CG2 4.19Å; W516-V573 HydrophobicContact CZ3-CG1 4.29Å; W516-V573 HydrophobicContact CZ3-CG2 4Å |
| 517 | T | 79.5 | Confident | 69.3 | Low | 29 Ų | 29 | 47.4 Ų | 47.4 | 18% | 0.178 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -82.7 | -26.3 | 177 | 54.7 | 0 | 0 | 0 | 0 | 113.9 | L511 L514 I536 V538 | L511-T517 WeakPolarHBondContact O-CG2 3.18Å; L514-T517 PolarHBondContact O-N 2.85Å; L514-T517 PolarHBondContact O-OG1 2.97Å; T517-I536 WeakPolarHBondContact CA-O 3.4Å; T517-I536 HydrophobicContact CG2-CB 3.86Å; T517-I536 HydrophobicContact CG2-CG2 3.86Å; T517-V538 HydrophobicContact CG2-CG2 4.48Å |
| 518 | N | 63.1 | Low | 66.9 | Low | 86 Ų | 86 | 47.2 Ų | 47.2 | 46% | 0.46 | 30% | 0.298 | S | S | . | . | trans | -124.7 | 108.1 | -171.7 | -82.2 | -59.1 | 0 | 0 | 0 | 111.4 | A520 H521 | N518-A520 PolarHBondContact O-N 3.22Å; N518-H521 PolarHBondContact O-N 2.76Å; N518-H521 VanDerWaalsContact O-N 3.13Å | ||
| 519 | S | 53 | Low | 64.7 | Low | 104 Ų | 104 | 54.3 Ų | 54.3 | 73% | 0.727 | 34% | 0.336 | S | S | * | . | G | 310 helix | trans | -55.5 | -15.3 | 179.4 | -50 | 0 | 0 | 0 | 0 | 114.9 | H521 T522 | S519-H521 PolarHBondContact O-N 2.86Å; S519-T522 WeakPolarHBondContact O-CG2 3.27Å; S519-T522 PolarHBondContact O-N 3.41Å; S519-T522 PolarHBondContact O-OG1 3.27Å |
| 520 | A | 48.5 | Very low | 62.5 | Low | 84 Ų | 84 | 61 Ų | 61 | 69% | 0.694 | 37% | 0.367 | S | S | * | . | G | 310 helix | trans | -64.5 | -21.2 | 176 | 0 | 0 | 0 | 0 | 0 | 114.3 | N518 T522 | N518-A520 PolarHBondContact O-N 3.22Å; A520-T522 VanDerWaalsContact C-N 3.29Å; A520-T522 PolarHBondContact O-N 3.17Å |
| 521 | H | 49.4 | Very low | 60.4 | Low | 85 Ų | 85 | 61.8 Ų | 61.8 | 39% | 0.394 | 37% | 0.374 | S | S | . | . | G | 310 helix | trans | -88.5 | 13.9 | 179.9 | -71.1 | -73.6 | 0 | 0 | 0 | 114.5 | N518 S519 S523 I524 | N518-H521 PolarHBondContact O-N 2.76Å; N518-H521 VanDerWaalsContact O-N 3.13Å; S519-H521 PolarHBondContact O-N 2.86Å; H521-S523 PolarHBondContact O-N 2.93Å; H521-I524 HydrophobicContact CB-CD1 4.29Å; H521-I524 PolarHBondContact O-N 3.4Å |
| 522 | T | 43.7 | Very low | 58.6 | Low | 102 Ų | 102 | 67 Ų | 67 | 63% | 0.626 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -54.9 | -23.9 | -179.5 | 28 | 0 | 0 | 0 | 0 | 114.9 | S519 A520 | S519-T522 WeakPolarHBondContact O-CG2 3.27Å; S519-T522 PolarHBondContact O-N 3.41Å; S519-T522 PolarHBondContact O-OG1 3.27Å; A520-T522 VanDerWaalsContact C-N 3.29Å; A520-T522 PolarHBondContact O-N 3.17Å |
| 523 | S | 46.9 | Very low | 57.7 | Low | 87 Ų | 87 | 66.3 Ų | 66.3 | 61% | 0.608 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -65 | -37.4 | 173.6 | 54.2 | 0 | 0 | 0 | 0 | 113.4 | H521 F525 S526 | H521-S523 PolarHBondContact O-N 2.93Å; S523-F525 VanDerWaalsContact C-N 3.32Å; S523-F525 PolarHBondContact O-N 3.05Å; S523-S526 PolarHBondContact O-N 2.91Å; S523-S526 PolarHBondContact O-OG 2.93Å |
| 524 | I | 50.9 | Low | 57.2 | Low | 36 Ų | 36 | 65 Ų | 65 | 19% | 0.185 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -68.5 | -33.1 | -175.6 | -57.3 | 179.1 | 0 | 0 | 0 | 111.2 | H521 S526 S527 E561 Y562 | H521-I524 HydrophobicContact CB-CD1 4.29Å; H521-I524 PolarHBondContact O-N 3.4Å; I524-S526 VanDerWaalsContact C-N 3.33Å; I524-S526 PolarHBondContact O-N 2.86Å; I524-S527 PolarHBondContact O-OG 2.85Å; I524-E561 HydrophobicContact CD1-CB 4.46Å; I524-Y562 HydrophobicContact CG2-CE1 4.1Å |
| 525 | F | 47.1 | Very low | 56.9 | Low | 24 Ų | 24 | 70.4 Ų | 70.4 | 11% | 0.105 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -76.3 | -17.8 | -178.7 | -71.1 | -74.3 | 0 | 0 | 0 | 114 | P515 W516 S523 S527 L528 | P515-F525 HydrophobicContact CB-CE2 3.91Å; P515-F525 HydrophobicContact CB-CZ 3.72Å; P515-F525 HydrophobicContact CG-CZ 3.85Å; W516-F525 AromaticContact CD1-CZ 3.6Å; W516-F525 HydrophobicContact CG-CZ 4.35Å; W516-F525 AromaticContact NE1-CE1 3.5Å; W516-F525 AromaticContact NE1-CZ 3.51Å; S523-F525 VanDerWaalsContact C-N 3.32Å; S523-F525 PolarHBondContact O-N 3.05Å; F525-S527 PolarHBondContact O-N 2.79Å; F525-S527 VanDerWaalsContact O-N 3.11Å; F525-L528 PolarHBondContact O-N 2.93Å |
| 526 | S | 44.6 | Very low | 57.4 | Low | 96 Ų | 96 | 70.4 Ų | 70.4 | 67% | 0.671 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -18.8 | -177.8 | 67.7 | 0 | 0 | 0 | 0 | 114.9 | S523 I524 | S523-S526 PolarHBondContact O-N 2.91Å; S523-S526 PolarHBondContact O-OG 2.93Å; I524-S526 VanDerWaalsContact C-N 3.33Å; I524-S526 PolarHBondContact O-N 2.86Å |
| 527 | S | 47.5 | Very low | 57.6 | Low | 80 Ų | 80 | 72.3 Ų | 72.3 | 56% | 0.559 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | -10.8 | 172.4 | 63.6 | 0 | 0 | 0 | 0 | 114 | I524 F525 | I524-S527 PolarHBondContact O-OG 2.85Å; F525-S527 PolarHBondContact O-N 2.79Å; F525-S527 VanDerWaalsContact O-N 3.11Å |
| 528 | L | 41.6 | Very low | 57.9 | Low | 28 Ų | 28 | 73.8 Ų | 73.8 | 15% | 0.147 | 44% | 0.435 | C | S | . | . | trans | -108.7 | 81.9 | -172.4 | -72.5 | 162.7 | 0 | 0 | 0 | 110.8 | F525 Q530 T531 Y562 | F525-L528 PolarHBondContact O-N 2.93Å; L528-Q530 PolarHBondContact O-N 2.78Å; L528-T531 WeakPolarHBondContact CB-OG1 3.47Å; L528-T531 PolarHBondContact O-N 2.78Å; L528-Y562 HydrophobicContact CD1-CE1 4.26Å | ||
| 529 | N | 44 | Very low | 59 | Low | 154 Ų | 154 | 73 Ų | 73 | 82% | 0.824 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | 15.2 | 179.2 | -84.7 | -24.4 | 0 | 0 | 0 | 116 | ||
| 530 | Q | 46.8 | Very low | 60.5 | Low | 142 Ų | 142 | 72.6 Ų | 72.6 | 66% | 0.664 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -133.7 | 0.1 | -175.4 | -67.2 | -176.9 | -11 | 0 | 0 | 114.8 | L528 | L528-Q530 PolarHBondContact O-N 2.78Š|
| 531 | T | 49.3 | Very low | 62.2 | Low | 32 Ų | 32 | 70 Ų | 70 | 20% | 0.196 | 40% | 0.401 | C | S | . | . | trans | -130.1 | 8.7 | -172.3 | 52.5 | 0 | 0 | 0 | 0 | 116.2 | L528 S533 | L528-T531 WeakPolarHBondContact CB-OG1 3.47Å; L528-T531 PolarHBondContact O-N 2.78Å; T531-S533 PolarHBondContact O-N 3.09Å | ||
| 532 | N | 52 | Low | 64.1 | Low | 113 Ų | 113 | 67.3 Ų | 67.3 | 60% | 0.604 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -0.4 | -170.3 | -82.2 | -16.2 | 0 | 0 | 0 | 116.9 | ||
| 533 | S | 65.8 | Low | 66.1 | Low | 41 Ų | 41 | 66 Ų | 66 | 29% | 0.287 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | -42.1 | -175.2 | 62.4 | 0 | 0 | 0 | 0 | 114.7 | V495 P496 G498 T531 | V495-S533 VanDerWaalsContact O-CB 3.22Å; V495-S533 WeakPolarHBondContact O-CB 3.1Å; V495-S533 PolarHBondContact O-OG 3.11Å; P496-S533 WeakPolarHBondContact O-CB 3.31Å; G498-S533 WeakPolarHBondContact CA-O 3.32Å; T531-S533 PolarHBondContact O-N 3.09Å |
| 534 | M | 77.2 | Confident | 67.8 | Low | 10 Ų | 10 | 66 Ų | 66 | 5% | 0.049 | 38% | 0.379 | C | S | . | . | trans | -66.7 | 133.5 | -167.6 | -175.4 | -172.4 | -76.9 | 0 | 0 | 113.2 | L492 V495 G498 V500 W516 I536 | L492-M534 HydrophobicContact CD2-CE 3.79Å; L492-M534 HydrophobicContact CG-CE 3.82Å; V495-M534 HydrophobicContact CB-CE 4.28Å; V495-M534 HydrophobicContact CG2-CE 3.56Å; G498-M534 WeakPolarHBondContact O-CA 3.41Å; V500-M534 HydrophobicContact CG2-CG 4.33Å; W516-M534 HydrophobicContact CB-CG 4.14Å; W516-M534 HydrophobicContact CB-SD 4.18Å; W516-M534 HydrophobicContact CD2-CG 4.34Å; W516-M534 HydrophobicContact CD2-SD 3.51Å; W516-M534 VanDerWaalsContact CD2-SD 3.51Å; W516-M534 HydrophobicContact CE3-SD 3.75Å; W516-M534 HydrophobicContact CG-CB 4.11Å; W516-M534 HydrophobicContact CG-CG 3.91Å; W516-M534 HydrophobicContact CG-SD 3.71Å; W516-M534 HydrophobicContact CZ3-SD 4.36Å; M534-I536 HydrophobicContact CG-CG1 4.25Å; M534-I536 HydrophobicContact SD-CD1 4.04Å; M534-I536 HydrophobicContact SD-CG1 4.12Å | ||
| 535 | Q | 82.9 | Confident | 69.5 | Low | 116 Ų | 116 | 72.3 Ų | 72.3 | 54% | 0.542 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 126.6 | 172.9 | -65.1 | 179.4 | -12 | 0 | 0 | 108.9 | G498 V500 | G498-Q535 PolarHBondContact O-N 3.18Å; V500-Q535 PolarHBondContact N-O 3.18Å |
| 536 | I | 87.7 | Confident | 71.6 | Confident | 6 Ų | 6 | 74.8 Ų | 74.8 | 3% | 0.031 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 116.5 | -178 | -57.5 | 174.9 | 0 | 0 | 0 | 109.8 | V500 F502 L514 W516 T517 M534 V538 W565 | V500-I536 HydrophobicContact CB-CG1 4.07Å; V500-I536 HydrophobicContact CG1-CG1 4.27Å; V500-I536 HydrophobicContact CG1-CG2 4.36Å; V500-I536 CarbonylContact O-C 3.59Å; V500-I536 WeakPolarHBondContact O-CA 3.42Å; F502-I536 HydrophobicContact CD2-CG2 3.8Å; F502-I536 HydrophobicContact CE2-CG2 3.86Å; L514-I536 HydrophobicContact CB-CD1 4.49Å; L514-I536 HydrophobicContact CD1-CD1 3.89Å; W516-I536 HydrophobicContact CB-CB 4.43Å; W516-I536 HydrophobicContact CB-CD1 3.87Å; W516-I536 HydrophobicContact CB-CG1 3.8Å; W516-I536 HydrophobicContact CE3-CD1 4.09Å; W516-I536 PolarHBondContact O-N 2.75Å; T517-I536 WeakPolarHBondContact CA-O 3.4Å; T517-I536 HydrophobicContact CG2-CB 3.86Å; T517-I536 HydrophobicContact CG2-CG2 3.86Å; M534-I536 HydrophobicContact CG-CG1 4.25Å; M534-I536 HydrophobicContact SD-CD1 4.04Å; M534-I536 HydrophobicContact SD-CG1 4.12Å; I536-V538 HydrophobicContact CG2-CG2 4.4Å; I536-W565 HydrophobicContact CD1-CH2 3.91Å; I536-W565 HydrophobicContact CD1-CZ3 4.32Å |
| 537 | T | 87.6 | Confident | 73.8 | Confident | 63 Ų | 63 | 70.6 Ų | 70.6 | 39% | 0.387 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 132.6 | 171.7 | -50.7 | 0 | 0 | 0 | 0 | 110 | V500 I501 F502 I539 | V500-T537 PolarHBondContact O-N 3.25Å; I501-T537 WeakPolarHBondContact CA-O 3.37Å; F502-T537 PolarHBondContact N-O 3.1Å; T537-I539 HydrophobicContact CG2-CD1 4.25Å; T537-I539 HydrophobicContact CG2-CG1 3.93Å |
| 538 | V | 86.5 | Confident | 75.6 | Confident | 61 Ų | 61 | 72.8 Ų | 72.8 | 37% | 0.37 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 130.1 | 172.6 | -171.4 | 0 | 0 | 0 | 0 | 109 | F502 L511 T517 I536 | F502-V538 CarbonylContact O-C 2.97Å; F502-V538 WeakPolarHBondContact O-CA 3.19Å; L511-V538 HydrophobicContact CB-CG2 4.14Å; L511-V538 HydrophobicContact CD1-CG2 3.85Å; T517-V538 HydrophobicContact CG2-CG2 4.48Å; I536-V538 HydrophobicContact CG2-CG2 4.4Å |
| 539 | I | 85.5 | Confident | 77.8 | Confident | 69 Ų | 69 | 75.6 Ų | 75.6 | 35% | 0.354 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 133.9 | -179.1 | -45.7 | 175 | 0 | 0 | 0 | 107.1 | I501 F502 H503 Q504 T537 G541 | I501-I539 HydrophobicContact CG2-CD1 4.18Å; F502-I539 PolarHBondContact O-N 2.86Å; H503-I539 CarbonylContact C-O 3.57Å; H503-I539 VanDerWaalsContact CA-O 3.29Å; H503-I539 WeakPolarHBondContact CA-O 3.05Å; H503-I539 HydrophobicContact CB-CB 4.33Å; Q504-I539 PolarHBondContact N-O 3.4Å; T537-I539 HydrophobicContact CG2-CD1 4.25Å; T537-I539 HydrophobicContact CG2-CG1 3.93Å; I539-G541 PolarHBondContact O-N 3.14Å |
| 540 | D | 84.8 | Confident | 79.7 | Confident | 96 Ų | 96 | 73.5 Ų | 73.5 | 51% | 0.513 | 39% | 0.392 | S | S | . | . | S | Bend | trans | 49.8 | 40.3 | -176.4 | -58.1 | -14.2 | 0 | 0 | 0 | 113.6 | Q504 N505 | Q504-D540 HydrophobicContact CB-CB 4.41Å; Q504-D540 HydrophobicContact CG-CB 3.76Å; Q504-D540 WeakPolarHBondContact CG-OD2 3.47Å; Q504-D540 PolarHBondContact NE2-OD2 2.99Å; N505-D540 PolarHBondContact N-O 2.93Å |
| 541 | G | 83.8 | Confident | 81.6 | Confident | 30 Ų | 30 | 72.6 Ų | 72.6 | 31% | 0.309 | 39% | 0.392 | S | S | . | . | trans | -95.2 | 174.4 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | I539 | I539-G541 PolarHBondContact O-N 3.14Š| ||
| 542 | P | 89.1 | Confident | 83.4 | Confident | 27 Ų | 27 | 74.4 Ų | 74.4 | 18% | 0.175 | 40% | 0.396 | C | S | . | . | trans | -65.3 | 146.1 | 174.7 | 27.6 | -33.8 | 0 | 0 | 0 | 111.6 | N505 P506 L508 Y546 | N505-P542 WeakPolarHBondContact O-CD 3.31Å; P506-P542 WeakPolarHBondContact O-CB 3.45Å; L508-P542 WeakPolarHBondContact O-CD 3.43Å; L508-P542 VanDerWaalsContact O-CG 3.27Å; L508-P542 WeakPolarHBondContact O-CG 3.17Å; P542-Y546 HydrophobicContact CB-CD1 3.5Å; P542-Y546 HydrophobicContact CB-CE1 4.01Å; P542-Y546 HydrophobicContact CB-CG 4.14Å | ||
| 543 | S | 86 | Confident | 85.2 | Confident | 74 Ų | 74 | 72.6 Ų | 72.6 | 52% | 0.517 | 39% | 0.388 | S | S | . | . | trans | -69.3 | 151.8 | 168.2 | 71.2 | 0 | 0 | 0 | 0 | 111.5 | K545 Y546 C547 | S543-K545 PolarHBondContact O-N 3.28Å; S543-Y546 WeakPolarHBondContact O-CA 3.46Å; S543-Y546 VanDerWaalsContact O-CB 3.3Å; S543-Y546 WeakPolarHBondContact O-CB 3.38Å; S543-Y546 PolarHBondContact O-N 3.32Å; S543-Y546 PolarHBondContact OG-N 2.75Å; S543-C547 PolarHBondContact O-N 3.16Å | ||
| 544 | D | 84 | Confident | 86.4 | Confident | 89 Ų | 89 | 72.2 Ų | 72.2 | 48% | 0.476 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -54.3 | -40 | 177.1 | -63.6 | -57 | 0 | 0 | 0 | 112.4 | S512 Y546 C547 E548 | S512-D544 WeakPolarHBondContact CB-OD1 3.44Å; S512-D544 PolarHBondContact OG-OD1 2.92Å; D544-Y546 VanDerWaalsContact C-N 3.25Å; D544-Y546 PolarHBondContact O-N 2.8Å; D544-C547 PolarHBondContact O-N 2.72Å; D544-E548 WeakPolarHBondContact O-CG 3.25Å; D544-E548 PolarHBondContact O-N 3.3Å |
| 545 | K | 86.4 | Confident | 87 | Confident | 168 Ų | 168 | 75.4 Ų | 75.4 | 73% | 0.73 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -59.6 | -32.4 | 176 | -66.6 | -176.9 | 179 | 179.4 | 0 | 113.5 | S543 S549 | S543-K545 PolarHBondContact O-N 3.28Å; K545-S549 WeakPolarHBondContact O-CB 3.32Å; K545-S549 PolarHBondContact O-N 3.18Å; K545-S549 PolarHBondContact O-OG 3Å |
| 546 | Y | 90.1 | Very high | 87.3 | Confident | 76 Ų | 76 | 74.9 Ų | 74.9 | 30% | 0.298 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -68.6 | -49.3 | 173.5 | 171.4 | -80.9 | 0 | 0 | 0 | 109.5 | P542 S543 D544 E548 S549 F550 | P542-Y546 HydrophobicContact CB-CD1 3.5Å; P542-Y546 HydrophobicContact CB-CE1 4.01Å; P542-Y546 HydrophobicContact CB-CG 4.14Å; S543-Y546 WeakPolarHBondContact O-CA 3.46Å; S543-Y546 VanDerWaalsContact O-CB 3.3Å; S543-Y546 WeakPolarHBondContact O-CB 3.38Å; S543-Y546 PolarHBondContact O-N 3.32Å; S543-Y546 PolarHBondContact OG-N 2.75Å; D544-Y546 VanDerWaalsContact C-N 3.25Å; D544-Y546 PolarHBondContact O-N 2.8Å; Y546-E548 PolarHBondContact O-N 3.44Å; Y546-S549 PolarHBondContact O-N 3.02Å; Y546-S549 VanDerWaalsContact O-N 3.15Å; Y546-S549 PolarHBondContact O-OG 3.43Å; Y546-F550 HydrophobicContact CD1-CD2 4.23Å; Y546-F550 HydrophobicContact CD2-CD2 4.4Å; Y546-F550 AromaticContact CD2-CE2 3.96Å; Y546-F550 HydrophobicContact CD2-CE2 3.96Å; Y546-F550 HydrophobicContact CE1-CD2 4.02Å; Y546-F550 HydrophobicContact CE1-CE2 4.19Å; Y546-F550 HydrophobicContact CE2-CD2 4.21Å; Y546-F550 AromaticContact CE2-CE2 3.59Å; Y546-F550 HydrophobicContact CE2-CE2 3.59Å; Y546-F550 HydrophobicContact CG-CD2 4.41Å; Y546-F550 HydrophobicContact CG-CE2 4.42Å; Y546-F550 AromaticContact CZ-CE2 3.71Å; Y546-F550 WeakPolarHBondContact O-CD2 3.1Å; Y546-F550 PolarHBondContact O-N 3.47Å |
| 547 | C | 90.7 | Very high | 87.3 | Confident | 7 Ų | 7 | 75 Ų | 75 | 5% | 0.047 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -61.4 | -42.1 | 178.3 | -61.3 | 0 | 0 | 0 | 0 | 112.5 | C509 S543 D544 F550 N551 Y552 | C509-C547 WeakPolarHBondContact CA-SG 3.26Å; C509-C547 HydrophobicContact CB-CB 3.79Å; C509-C547 WeakPolarHBondContact CB-SG 3.4Å; C509-C547 WeakPolarHBondContact SG-CA 3.12Å; C509-C547 WeakPolarHBondContact SG-CB 3.37Å; C509-C547 CovalentContact SG-SG 2.04Å; C509-C547 PolarHBondContact SG-SG 2.95Å; S543-C547 PolarHBondContact O-N 3.16Å; D544-C547 PolarHBondContact O-N 2.72Å; C547-F550 PolarHBondContact O-N 3.29Å; C547-N551 PolarHBondContact O-N 2.64Å; C547-Y552 PolarHBondContact O-N 2.98Å |
| 548 | E | 86.6 | Confident | 87.4 | Confident | 126 Ų | 126 | 72.4 Ų | 72.4 | 59% | 0.589 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -61.1 | -41.3 | 173.3 | -71.6 | -180 | 152.7 | 0 | 0 | 112.1 | D544 Y546 F550 N551 | D544-E548 WeakPolarHBondContact O-CG 3.25Å; D544-E548 PolarHBondContact O-N 3.3Å; Y546-E548 PolarHBondContact O-N 3.44Å; E548-F550 VanDerWaalsContact C-N 3.27Å; E548-F550 PolarHBondContact O-N 3.07Å; E548-N551 WeakPolarHBondContact O-CA 3.46Å; E548-N551 PolarHBondContact O-N 2.86Å |
| 549 | S | 87.7 | Confident | 87.4 | Confident | 88 Ų | 88 | 72.8 Ų | 72.8 | 62% | 0.615 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -65.9 | -25.8 | -179.8 | 73.8 | 0 | 0 | 0 | 0 | 114.3 | K545 Y546 | K545-S549 WeakPolarHBondContact O-CB 3.32Å; K545-S549 PolarHBondContact O-N 3.18Å; K545-S549 PolarHBondContact O-OG 3Å; Y546-S549 PolarHBondContact O-N 3.02Å; Y546-S549 VanDerWaalsContact O-N 3.15Å; Y546-S549 PolarHBondContact O-OG 3.43Å |
| 550 | F | 83.5 | Confident | 87.4 | Confident | 109 Ų | 109 | 79.1 Ų | 79.1 | 48% | 0.478 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | 6.3 | 171.4 | -70.9 | -75.7 | 0 | 0 | 0 | 113.3 | Y546 C547 E548 Y552 | Y546-F550 HydrophobicContact CD1-CD2 4.23Å; Y546-F550 HydrophobicContact CD2-CD2 4.4Å; Y546-F550 AromaticContact CD2-CE2 3.96Å; Y546-F550 HydrophobicContact CD2-CE2 3.96Å; Y546-F550 HydrophobicContact CE1-CD2 4.02Å; Y546-F550 HydrophobicContact CE1-CE2 4.19Å; Y546-F550 HydrophobicContact CE2-CD2 4.21Å; Y546-F550 AromaticContact CE2-CE2 3.59Å; Y546-F550 HydrophobicContact CE2-CE2 3.59Å; Y546-F550 HydrophobicContact CG-CD2 4.41Å; Y546-F550 HydrophobicContact CG-CE2 4.42Å; Y546-F550 AromaticContact CZ-CE2 3.71Å; Y546-F550 WeakPolarHBondContact O-CD2 3.1Å; Y546-F550 PolarHBondContact O-N 3.47Å; C547-F550 PolarHBondContact O-N 3.29Å; E548-F550 VanDerWaalsContact C-N 3.27Å; E548-F550 PolarHBondContact O-N 3.07Å; F550-Y552 HydrophobicContact CB-CD1 4.26Å; F550-Y552 HydrophobicContact CB-CD2 3.67Å; F550-Y552 HydrophobicContact CB-CE1 4.2Å; F550-Y552 HydrophobicContact CB-CE2 3.61Å; F550-Y552 HydrophobicContact CB-CG 4.01Å; F550-Y552 HydrophobicContact CG-CE2 4.16Å; F550-Y552 WeakPolarHBondContact O-CD1 3.34Å; F550-Y552 PolarHBondContact O-N 3.33Å |
| 551 | N | 86.1 | Confident | 87.2 | Confident | 123 Ų | 123 | 78.8 Ų | 78.8 | 66% | 0.658 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.7 | 31.9 | -175.3 | -167.2 | 50.4 | 0 | 0 | 0 | 113.5 | C547 E548 V553 | C547-N551 PolarHBondContact O-N 2.64Å; E548-N551 WeakPolarHBondContact O-CA 3.46Å; E548-N551 PolarHBondContact O-N 2.86Å; N551-V553 PolarHBondContact O-N 3.48Å |
| 552 | Y | 88.4 | Confident | 87.1 | Confident | 71 Ų | 71 | 78.3 Ų | 78.3 | 28% | 0.278 | 40% | 0.399 | S | S | . | . | trans | -82.2 | 65.5 | 176.1 | -65.2 | -24.3 | 0 | 0 | 0 | 111 | C509 Y510 C547 F550 | C509-Y552 HydrophobicContact CB-CD2 4.14Å; C509-Y552 HydrophobicContact CB-CG 4.44Å; Y510-Y552 HydrophobicContact CE2-CG 4.31Å; Y510-Y552 WeakPolarHBondContact OH-CA 3.34Å; C547-Y552 PolarHBondContact O-N 2.98Å; F550-Y552 HydrophobicContact CB-CD1 4.26Å; F550-Y552 HydrophobicContact CB-CD2 3.67Å; F550-Y552 HydrophobicContact CB-CE1 4.2Å; F550-Y552 HydrophobicContact CB-CE2 3.61Å; F550-Y552 HydrophobicContact CB-CG 4.01Å; F550-Y552 HydrophobicContact CG-CE2 4.16Å; F550-Y552 WeakPolarHBondContact O-CD1 3.34Å; F550-Y552 PolarHBondContact O-N 3.33Å | ||
| 553 | V | 87.9 | Confident | 87.1 | Confident | 74 Ų | 74 | 77.1 Ų | 77.1 | 45% | 0.448 | 39% | 0.391 | S | S | . | . | trans | -117.2 | 154.9 | -177.9 | -61 | 0 | 0 | 0 | 0 | 111.2 | N551 | N551-V553 PolarHBondContact O-N 3.48Š| ||
| 554 | C | 91 | Very high | 87.4 | Confident | 34 Ų | 34 | 73.6 Ų | 73.6 | 23% | 0.23 | 37% | 0.367 | C | S | . | . | trans | -62.3 | 145.4 | -179.7 | -65.5 | 0 | 0 | 0 | 0 | 113.2 | S513 C558 C564 | S513-C554 PolarHBondContact OG-SG 2.83Å; C554-C558 HydrophobicContact CB-CB 4.28Å; C554-C564 WeakPolarHBondContact CA-SG 3.16Å; C554-C564 HydrophobicContact CB-CB 3.88Å; C554-C564 WeakPolarHBondContact CB-SG 3.43Å; C554-C564 WeakPolarHBondContact SG-CB 3.23Å; C554-C564 PolarHBondContact SG-N 2.72Å; C554-C564 CovalentContact SG-SG 2.04Å; C554-C564 PolarHBondContact SG-SG 2.97Å | ||
| 555 | H | 90.6 | Very high | 87.8 | Confident | 77 Ų | 77 | 69.4 Ų | 69.4 | 36% | 0.356 | 34% | 0.344 | S | S | . | . | trans | -60.2 | 140.2 | 176.9 | -174.8 | -104.1 | 0 | 0 | 0 | 111 | A557 C558 G568 | H555-A557 WeakPolarHBondContact ND1-CB 3.35Å; H555-A557 PolarHBondContact ND1-N 3.32Å; H555-A557 PolarHBondContact O-N 2.83Å; H555-C558 WeakPolarHBondContact O-CB 3.39Å; H555-C558 PolarHBondContact O-N 2.82Å; H555-C558 PolarHBondContact O-SG 3.31Å; H555-G568 WeakPolarHBondContact CB-O 3.45Å | ||
| 556 | P | 89.2 | Confident | 88.1 | Confident | 105 Ų | 105 | 61.4 Ų | 61.4 | 68% | 0.682 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -14.9 | -175.6 | -27.9 | 36.4 | 0 | 0 | 0 | 116.2 | C558 S576 | P556-C558 VanDerWaalsContact C-N 3.33Å; P556-S576 PolarHBondContact O-OG 2.89Å |
| 557 | A | 88.6 | Confident | 88 | Confident | 7 Ų | 7 | 60.6 Ų | 60.6 | 6% | 0.058 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -10.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114 | H555 P569 C575 S576 C585 | H555-A557 WeakPolarHBondContact ND1-CB 3.35Å; H555-A557 PolarHBondContact ND1-N 3.32Å; H555-A557 PolarHBondContact O-N 2.83Å; A557-P569 HydrophobicContact CB-CB 4.47Å; A557-C575 WeakPolarHBondContact O-CA 3.43Å; A557-S576 PolarHBondContact O-N 2.99Å; A557-S576 PolarHBondContact O-OG 2.67Å; A557-C585 HydrophobicContact CB-CB 3.73Å; A557-C585 WeakPolarHBondContact O-CB 3.44Å |
| 558 | C | 88.8 | Confident | 87.9 | Confident | 9 Ų | 9 | 61.1 Ų | 61.1 | 6% | 0.061 | 32% | 0.32 | C | S | . | . | B | Isolated β-bridge | trans | -83.2 | 133.7 | 173.2 | -53 | 0 | 0 | 0 | 0 | 110.6 | C554 H555 P556 K560 C572 S576 | C554-C558 HydrophobicContact CB-CB 4.28Å; H555-C558 WeakPolarHBondContact O-CB 3.39Å; H555-C558 PolarHBondContact O-N 2.82Å; H555-C558 PolarHBondContact O-SG 3.31Å; P556-C558 VanDerWaalsContact C-N 3.33Å; C558-K560 PolarHBondContact O-N 2.88Å; C558-C572 WeakPolarHBondContact CA-SG 3.39Å; C558-C572 HydrophobicContact CB-CB 3.59Å; C558-C572 WeakPolarHBondContact CB-SG 3.5Å; C558-C572 WeakPolarHBondContact SG-CA 3.29Å; C558-C572 WeakPolarHBondContact SG-CB 3.42Å; C558-C572 CovalentContact SG-SG 2.03Å; C558-C572 PolarHBondContact SG-SG 2.8Å; C558-S576 PolarHBondContact O-OG 3.33Å |
| 559 | K | 86.1 | Confident | 88 | Confident | 69 Ų | 69 | 56.9 Ų | 56.9 | 30% | 0.3 | 30% | 0.304 | S | S | . | . | trans | -69.8 | 120.2 | 179 | -161.2 | -178.6 | -169.6 | -146.2 | 0 | 109.6 | E561 Y562 G563 R574 S576 | K559-E561 VanDerWaalsContact CE-CD 3.49Å; K559-E561 WeakPolarHBondContact CE-OE1 3.32Å; K559-E561 WeakPolarHBondContact CE-OE2 3.27Å; K559-E561 IonicContact NZ-OE1 3.28Å; K559-E561 PolarHBondContact NZ-OE1 2.99Å; K559-E561 IonicContact NZ-OE2 3.43Å; K559-E561 PolarHBondContact NZ-OE2 3.38Å; K559-E561 PolarHBondContact O-N 3.24Å; K559-Y562 HydrophobicContact CB-CD2 4.18Å; K559-Y562 HydrophobicContact CD-CD2 3.94Å; K559-Y562 HydrophobicContact CD-CE2 3.98Å; K559-Y562 HydrophobicContact CG-CD2 4.37Å; K559-Y562 PolarHBondContact O-N 2.92Å; K559-G563 PolarHBondContact O-N 2.91Å; K559-R574 PolarHBondContact N-O 3.22Å; K559-S576 WeakPolarHBondContact CA-OG 3.47Å; K559-S576 PolarHBondContact N-OG 3.07Å | ||
| 560 | K | 85.2 | Confident | 88 | Confident | 203 Ų | 203 | 55 Ų | 55 | 88% | 0.883 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -25.7 | -173 | -170.4 | 173 | -179.8 | 178 | 0 | 114.3 | C558 Y562 | C558-K560 PolarHBondContact O-N 2.88Å; K560-Y562 VanDerWaalsContact C-N 3.3Å; K560-Y562 PolarHBondContact O-N 2.94Å |
| 561 | E | 80.9 | Confident | 88.4 | Confident | 88 Ų | 88 | 50.3 Ų | 50.3 | 41% | 0.411 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -21.6 | 174.7 | -66.6 | 157.8 | -134 | 0 | 0 | 114.7 | I524 K559 | I524-E561 HydrophobicContact CD1-CB 4.46Å; K559-E561 VanDerWaalsContact CE-CD 3.49Å; K559-E561 WeakPolarHBondContact CE-OE1 3.32Å; K559-E561 WeakPolarHBondContact CE-OE2 3.27Å; K559-E561 IonicContact NZ-OE1 3.28Å; K559-E561 PolarHBondContact NZ-OE1 2.99Å; K559-E561 IonicContact NZ-OE2 3.43Å; K559-E561 PolarHBondContact NZ-OE2 3.38Å; K559-E561 PolarHBondContact O-N 3.24Å |
| 562 | Y | 83.2 | Confident | 88.5 | Confident | 21 Ų | 21 | 44.8 Ų | 44.8 | 8% | 0.082 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119.9 | -14.5 | -173.6 | -64.5 | -78 | 0 | 0 | 0 | 113.8 | P515 I524 L528 K559 K560 V573 R574 | P515-Y562 WeakPolarHBondContact CD-O 3.41Å; P515-Y562 HydrophobicContact CG-CD1 4.32Å; I524-Y562 HydrophobicContact CG2-CE1 4.1Å; L528-Y562 HydrophobicContact CD1-CE1 4.26Å; K559-Y562 HydrophobicContact CB-CD2 4.18Å; K559-Y562 HydrophobicContact CD-CD2 3.94Å; K559-Y562 HydrophobicContact CD-CE2 3.98Å; K559-Y562 HydrophobicContact CG-CD2 4.37Å; K559-Y562 PolarHBondContact O-N 2.92Å; K560-Y562 VanDerWaalsContact C-N 3.3Å; K560-Y562 PolarHBondContact O-N 2.94Å; Y562-V573 VanDerWaalsContact O-CB 3.26Å; Y562-V573 WeakPolarHBondContact O-CB 3.45Å; Y562-V573 VanDerWaalsContact O-CG2 3.23Å; Y562-V573 WeakPolarHBondContact O-CG2 3.23Å; Y562-R574 HydrophobicContact CD2-CB 3.76Å; Y562-R574 HydrophobicContact CD2-CG 4.21Å; Y562-R574 HydrophobicContact CE2-CB 4.42Å; Y562-R574 HydrophobicContact CG-CB 3.96Å; Y562-R574 HydrophobicContact CG-CG 4.24Å; Y562-R574 PolarHBondContact OH-NH1 3.25Å |
| 563 | G | 88.1 | Confident | 88.4 | Confident | 2 Ų | 2 | 42.2 Ų | 42.2 | 2% | 0.021 | 23% | 0.229 | C | C | . | . | trans | 65.7 | -156.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | S513 K559 V573 | S513-G563 VanDerWaalsContact O-CA 3.31Å; S513-G563 WeakPolarHBondContact O-CA 3.41Å; S513-G563 WeakPolarHBondContact OG-CA 3.44Å; K559-G563 PolarHBondContact O-N 2.91Å; G563-V573 PolarHBondContact O-N 3.4Å | ||
| 564 | C | 92.4 | Very high | 88.2 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.218 | C | C | . | . | B | Isolated β-bridge | trans | -154.5 | 156.2 | -173.8 | 66.3 | 0 | 0 | 0 | 0 | 112.3 | S513 L514 C554 G566 Q571 | S513-C564 PolarHBondContact OG-N 3.42Å; S513-C564 VanDerWaalsContact OG-N 3.12Å; S513-C564 PolarHBondContact OG-O 2.97Å; L514-C564 WeakPolarHBondContact CD2-O 3.2Å; C554-C564 WeakPolarHBondContact CA-SG 3.16Å; C554-C564 HydrophobicContact CB-CB 3.88Å; C554-C564 WeakPolarHBondContact CB-SG 3.43Å; C554-C564 WeakPolarHBondContact SG-CB 3.23Å; C554-C564 PolarHBondContact SG-N 2.72Å; C554-C564 CovalentContact SG-SG 2.04Å; C554-C564 PolarHBondContact SG-SG 2.97Å; C564-G566 PolarHBondContact SG-O 3.36Å; C564-Q571 CarbonylContact C-O 3.59Å; C564-Q571 VanDerWaalsContact CA-O 3.25Å; C564-Q571 WeakPolarHBondContact CA-O 3.44Å; C564-Q571 WeakPolarHBondContact CB-O 3.47Å |
| 565 | W | 93 | Very high | 88 | Confident | 1 Ų | 1 | 40.8 Ų | 40.8 | 0% | 0.004 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -88.7 | 1.7 | 178 | -67.1 | 101 | 0 | 0 | 0 | 114 | P487 G488 L489 L492 L511 L514 W516 I536 Q571 | P487-W565 HydrophobicContact CB-CE3 3.92Å; P487-W565 VanDerWaalsContact CD-O 3.3Å; P487-W565 WeakPolarHBondContact CD-O 3.48Å; P487-W565 HydrophobicContact CG-CE3 4.37Å; G488-W565 PolarHBondContact N-O 3.2Å; L489-W565 HydrophobicContact CB-CD2 4.15Å; L489-W565 HydrophobicContact CB-CE3 3.91Å; L489-W565 HydrophobicContact CB-CZ3 4.21Å; L489-W565 HydrophobicContact CD1-CZ3 4.34Å; L492-W565 HydrophobicContact CB-CZ2 4.26Å; L492-W565 HydrophobicContact CD2-CH2 4.07Å; L492-W565 HydrophobicContact CD2-CZ2 4.44Å; L511-W565 HydrophobicContact CD2-CZ3 4.49Å; L514-W565 HydrophobicContact CD1-CD2 4.03Å; L514-W565 HydrophobicContact CD1-CE3 3.56Å; L514-W565 HydrophobicContact CD1-CH2 3.81Å; L514-W565 HydrophobicContact CD1-CZ2 4.23Å; L514-W565 HydrophobicContact CD1-CZ3 3.45Å; L514-W565 VanDerWaalsContact CD1-CZ3 3.45Å; L514-W565 HydrophobicContact CD2-CD2 4.21Å; L514-W565 HydrophobicContact CD2-CG 4.5Å; W516-W565 HydrophobicContact CE3-CZ2 4.22Å; W516-W565 HydrophobicContact CH2-CZ2 4.45Å; W516-W565 HydrophobicContact CZ3-CH2 4.41Å; W516-W565 AromaticContact CZ3-CZ2 3.65Å; W516-W565 HydrophobicContact CZ3-CZ2 3.65Å; I536-W565 HydrophobicContact CD1-CH2 3.91Å; I536-W565 HydrophobicContact CD1-CZ3 4.32Å; W565-Q571 PolarHBondContact N-O 3.38Å |
| 566 | G | 92.3 | Very high | 87.8 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | S | Bend | trans | 166.7 | -172.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | C564 Q571 | C564-G566 PolarHBondContact SG-O 3.36Å; G566-Q571 WeakPolarHBondContact O-CB 3.43Å |
| 567 | P | 88.8 | Confident | 87.5 | Confident | 58 Ų | 58 | 40.2 Ų | 40.2 | 38% | 0.377 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -73 | 137.4 | 178 | 29.2 | -32.8 | 0 | 0 | 0 | 112 | F486 Y510 Q571 | F486-P567 HydrophobicContact CD1-CG 4.35Å; F486-P567 HydrophobicContact CE1-CG 4.31Å; F486-P567 HydrophobicContact CZ-CG 4.5Å; Y510-P567 HydrophobicContact CE1-CB 4.46Å; P567-Q571 VanDerWaalsContact O-CG 3.28Å; P567-Q571 WeakPolarHBondContact O-CG 3.44Å |
| 568 | G | 87.6 | Confident | 87 | Confident | 18 Ų | 18 | 41.1 Ų | 41.1 | 19% | 0.186 | 20% | 0.204 | C | C | . | . | S | Bend | trans | 117.2 | 162 | 170.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | H555 D570 Q571 | H555-G568 WeakPolarHBondContact CB-O 3.45Å; G568-D570 VanDerWaalsContact C-N 3.26Å; G568-D570 PolarHBondContact O-N 2.88Å; G568-Q571 PolarHBondContact O-N 2.71Å |
| 569 | P | 88.5 | Confident | 86.4 | Confident | 38 Ų | 38 | 43.5 Ų | 43.5 | 25% | 0.247 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -13.7 | 178.7 | 27.9 | -34 | 0 | 0 | 0 | 114.5 | A557 C572 T584 C585 | A557-P569 HydrophobicContact CB-CB 4.47Å; P569-C572 PolarHBondContact O-SG 2.81Å; P569-C572 VanDerWaalsContact O-SG 3.33Å; P569-T584 HydrophobicContact CB-CG2 4.22Å; P569-T584 HydrophobicContact CG-CG2 4.14Å; P569-C585 WeakPolarHBondContact CB-O 3.43Å; P569-C585 WeakPolarHBondContact O-CB 3.46Å; P569-C585 PolarHBondContact O-N 2.83Å |
| 570 | D | 87.8 | Confident | 85.7 | Confident | 48 Ų | 48 | 40.8 Ų | 40.8 | 26% | 0.257 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | -15.4 | 178.2 | 64.4 | -65.6 | 0 | 0 | 0 | 113.5 | G568 H583 | G568-D570 VanDerWaalsContact C-N 3.26Å; G568-D570 PolarHBondContact O-N 2.88Å; D570-H583 HydrophobicContact CB-CB 4.48Å |
| 571 | Q | 91.3 | Very high | 84.9 | Confident | 10 Ų | 10 | 33 Ų | 33 | 5% | 0.047 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -89.4 | -2.6 | -179.2 | -63.5 | -62.2 | -52.2 | 0 | 0 | 113.3 | C564 W565 G566 P567 G568 | C564-Q571 CarbonylContact C-O 3.59Å; C564-Q571 VanDerWaalsContact CA-O 3.25Å; C564-Q571 WeakPolarHBondContact CA-O 3.44Å; C564-Q571 WeakPolarHBondContact CB-O 3.47Å; W565-Q571 PolarHBondContact N-O 3.38Å; G566-Q571 WeakPolarHBondContact O-CB 3.43Å; P567-Q571 VanDerWaalsContact O-CG 3.28Å; P567-Q571 WeakPolarHBondContact O-CG 3.44Å; G568-Q571 PolarHBondContact O-N 2.71Å |
| 572 | C | 88.8 | Confident | 84 | Confident | 8 Ų | 8 | 34.8 Ų | 34.8 | 5% | 0.054 | 19% | 0.192 | C | C | . | . | B | Isolated β-bridge | trans | -64.1 | 141.3 | -179.6 | -51.6 | 0 | 0 | 0 | 0 | 112.1 | C558 P569 C585 | C558-C572 WeakPolarHBondContact CA-SG 3.39Å; C558-C572 HydrophobicContact CB-CB 3.59Å; C558-C572 WeakPolarHBondContact CB-SG 3.5Å; C558-C572 WeakPolarHBondContact SG-CA 3.29Å; C558-C572 WeakPolarHBondContact SG-CB 3.42Å; C558-C572 CovalentContact SG-SG 2.03Å; C558-C572 PolarHBondContact SG-SG 2.8Å; P569-C572 PolarHBondContact O-SG 2.81Å; P569-C572 VanDerWaalsContact O-SG 3.33Å; C572-C585 VanDerWaalsContact CB-SG 3.54Å |
| 573 | V | 86.4 | Confident | 83.5 | Confident | 17 Ų | 17 | 36.5 Ų | 36.5 | 10% | 0.103 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -70.7 | -41.8 | 169.6 | 173.9 | 0 | 0 | 0 | 0 | 110.7 | L514 W516 Y562 G563 | L514-V573 HydrophobicContact CD2-CG2 3.59Å; W516-V573 HydrophobicContact CH2-CG1 3.69Å; W516-V573 HydrophobicContact CH2-CG2 4.19Å; W516-V573 HydrophobicContact CZ3-CG1 4.29Å; W516-V573 HydrophobicContact CZ3-CG2 4Å; Y562-V573 VanDerWaalsContact O-CB 3.26Å; Y562-V573 WeakPolarHBondContact O-CB 3.45Å; Y562-V573 VanDerWaalsContact O-CG2 3.23Å; Y562-V573 WeakPolarHBondContact O-CG2 3.23Å; G563-V573 PolarHBondContact O-N 3.4Å |
| 574 | R | 84 | Confident | 83.2 | Confident | 56 Ų | 56 | 39.3 Ų | 39.3 | 21% | 0.211 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -143 | 150.8 | 172.4 | -83.8 | -177.2 | 147.1 | 172.2 | -4.8 | 110.7 | K559 Y562 E631 | K559-R574 PolarHBondContact N-O 3.22Å; Y562-R574 HydrophobicContact CD2-CB 3.76Å; Y562-R574 HydrophobicContact CD2-CG 4.21Å; Y562-R574 HydrophobicContact CE2-CB 4.42Å; Y562-R574 HydrophobicContact CG-CB 3.96Å; Y562-R574 HydrophobicContact CG-CG 4.24Å; Y562-R574 PolarHBondContact OH-NH1 3.25Å; R574-E631 IonicContact CZ-OE1 3.66Å; R574-E631 IonicContact NE-OE1 3.94Å; R574-E631 PolarHBondContact NE-OE1 3.01Å; R574-E631 IonicContact NH2-OE1 2.65Å; R574-E631 PolarHBondContact NH2-OE1 2.97Å |
| 575 | C | 87.1 | Confident | 83 | Confident | 22 Ų | 22 | 39.6 Ų | 39.6 | 15% | 0.149 | 22% | 0.219 | C | C | . | . | B | Isolated β-bridge | trans | -82.1 | 146.5 | 178.9 | -55.7 | 0 | 0 | 0 | 0 | 112.5 | A557 Y577 C585 | A557-C575 WeakPolarHBondContact O-CA 3.43Å; C575-Y577 VanDerWaalsContact C-N 3.3Å; C575-C585 WeakPolarHBondContact CA-SG 3.07Å; C575-C585 HydrophobicContact CB-CB 3.6Å; C575-C585 WeakPolarHBondContact CB-SG 3.35Å; C575-C585 WeakPolarHBondContact SG-CA 3.48Å; C575-C585 WeakPolarHBondContact SG-CB 3.46Å; C575-C585 CovalentContact SG-SG 2.03Å; C575-C585 PolarHBondContact SG-SG 2.84Å |
| 576 | S | 85.1 | Confident | 82.5 | Confident | 45 Ų | 45 | 40.8 Ų | 40.8 | 32% | 0.315 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -69.1 | -29.3 | 172 | -67 | 0 | 0 | 0 | 0 | 112.9 | P556 A557 C558 K559 | P556-S576 PolarHBondContact O-OG 2.89Å; A557-S576 PolarHBondContact O-N 2.99Å; A557-S576 PolarHBondContact O-OG 2.67Å; C558-S576 PolarHBondContact O-OG 3.33Å; K559-S576 WeakPolarHBondContact CA-OG 3.47Å; K559-S576 PolarHBondContact N-OG 3.07Å |
| 577 | Y | 82.6 | Confident | 82 | Confident | 124 Ų | 124 | 46.8 Ų | 46.8 | 49% | 0.486 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -130.2 | -96 | -178.3 | -45.7 | -93.9 | 0 | 0 | 0 | 108.3 | C575 V586 Q587 | C575-Y577 VanDerWaalsContact C-N 3.3Å; Y577-V586 WeakPolarHBondContact CB-O 3.38Å; Y577-Q587 WeakPolarHBondContact CB-O 3.22Å; Y577-Q587 HydrophobicContact CD2-CB 4.37Å; Y577-Q587 HydrophobicContact CD2-CG 4.01Å; Y577-Q587 HydrophobicContact CE2-CG 3.94Å |
| 578 | R | 78 | Confident | 81.5 | Confident | 27 Ų | 27 | 45.1 Ų | 45.1 | 10% | 0.102 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 159.4 | -170.6 | -55.3 | -151.5 | 144 | -155.6 | -8.9 | 112.8 | C585 V586 C589 E601 D632 | R578-C585 CarbonylContact O-C 2.91Å; R578-C585 WeakPolarHBondContact O-CA 3.43Å; R578-V586 HydrophobicContact CB-CG2 4.03Å; R578-V586 PolarHBondContact N-O 2.65Å; R578-V586 PolarHBondContact O-N 2.7Å; R578-C589 WeakPolarHBondContact CD-SG 3.37Å; R578-C589 PolarHBondContact NH1-SG 2.84Å; R578-E601 IonicContact CZ-OE1 3.76Å; R578-E601 IonicContact CZ-OE2 3.31Å; R578-E601 VanDerWaalsContact CZ-OE2 3.23Å; R578-E601 IonicContact NH1-OE1 2.67Å; R578-E601 PolarHBondContact NH1-OE1 2.91Å; R578-E601 IonicContact NH1-OE2 3.65Å; R578-E601 PolarHBondContact NH1-OE2 3.27Å; R578-E601 IonicContact NH2-OE2 2.93Å; R578-E601 PolarHBondContact NH2-OE2 3.05Å; R578-D632 CarbonylContact C-O 3.12Å; R578-D632 WeakPolarHBondContact CA-O 3.43Å; R578-D632 HydrophobicContact CB-CB 4.17Å; R578-D632 VanDerWaalsContact CB-O 3.26Å; R578-D632 WeakPolarHBondContact CB-O 3.44Å; R578-D632 HydrophobicContact CG-CB 3.63Å; R578-D632 IonicContact CZ-OD1 2.76Å; R578-D632 VanDerWaalsContact CZ-OD1 3.25Å; R578-D632 IonicContact NE-OD1 3.96Å; R578-D632 PolarHBondContact NE-OD1 3.09Å; R578-D632 VanDerWaalsContact NE-OD1 3.15Å; R578-D632 IonicContact NH2-OD1 4Å; R578-D632 PolarHBondContact NH2-OD1 3.49Å |
| 579 | R | 77.7 | Confident | 81 | Confident | 59 Ų | 59 | 44.3 Ų | 44.3 | 22% | 0.223 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 126.4 | 176.6 | -174.2 | 165.6 | 58.3 | 98.5 | 5.6 | 110.7 | G581 L582 D632 V633 C634 | R579-G581 PolarHBondContact NH1-O 3.48Å; R579-L582 PolarHBondContact NH1-O 2.86Å; R579-D632 PolarHBondContact N-O 3.44Å; R579-V633 VanDerWaalsContact NH2-CG2 3.32Å; R579-V633 CarbonylContact O-C 3.6Å; R579-V633 WeakPolarHBondContact O-CA 3.3Å; R579-C634 PolarHBondContact O-N 3.01Å |
| 580 | A | 71.7 | Confident | 80.2 | Confident | 11 Ų | 11 | 45.7 Ų | 45.7 | 9% | 0.091 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 132 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | T584 V586 L592 | A580-T584 PolarHBondContact N-O 3.36Å; A580-T584 PolarHBondContact O-N 2.81Å; A580-V586 HydrophobicContact CB-CG1 3.92Å; A580-V586 HydrophobicContact CB-CG2 4.13Å; A580-L592 HydrophobicContact CB-CD1 3.6Å |
| 581 | G | 67.3 | Low | 79.2 | Confident | 41 Ų | 41 | 49.5 Ų | 49.5 | 42% | 0.423 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.5 | -142.7 | -172.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | R579 | R579-G581 PolarHBondContact NH1-O 3.48Š|
| 582 | L | 63.4 | Low | 78 | Confident | 124 Ų | 124 | 51.3 Ų | 51.3 | 65% | 0.649 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -36.1 | -173.6 | -73.7 | 167.1 | 0 | 0 | 0 | 114.2 | R579 | R579-L582 PolarHBondContact NH1-O 2.86Š|
| 583 | H | 72.4 | Confident | 77.2 | Confident | 57 Ų | 57 | 57.6 Ų | 57.6 | 26% | 0.264 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -137.4 | -20.4 | -169.4 | -55.4 | -68.7 | 0 | 0 | 0 | 115.7 | R490 D570 C585 | R490-H583 PolarHBondContact NE-CD2 3.31Å; D570-H583 HydrophobicContact CB-CB 4.48Å; H583-C585 PolarHBondContact O-N 3.38Å |
| 584 | T | 81.8 | Confident | 76.5 | Confident | 62 Ų | 62 | 58.7 Ų | 58.7 | 38% | 0.38 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 119 | -166.1 | -50.6 | 0 | 0 | 0 | 0 | 112.4 | P569 A580 | P569-T584 HydrophobicContact CB-CG2 4.22Å; P569-T584 HydrophobicContact CG-CG2 4.14Å; A580-T584 PolarHBondContact N-O 3.36Å; A580-T584 PolarHBondContact O-N 2.81Å |
| 585 | C | 86.8 | Confident | 76 | Confident | 6 Ų | 6 | 58.8 Ų | 58.8 | 4% | 0.041 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 131.7 | 177.3 | -61.5 | 0 | 0 | 0 | 0 | 112.9 | A557 P569 C572 C575 R578 H583 | A557-C585 HydrophobicContact CB-CB 3.73Å; A557-C585 WeakPolarHBondContact O-CB 3.44Å; P569-C585 WeakPolarHBondContact CB-O 3.43Å; P569-C585 WeakPolarHBondContact O-CB 3.46Å; P569-C585 PolarHBondContact O-N 2.83Å; C572-C585 VanDerWaalsContact CB-SG 3.54Å; C575-C585 WeakPolarHBondContact CA-SG 3.07Å; C575-C585 HydrophobicContact CB-CB 3.6Å; C575-C585 WeakPolarHBondContact CB-SG 3.35Å; C575-C585 WeakPolarHBondContact SG-CA 3.48Å; C575-C585 WeakPolarHBondContact SG-CB 3.46Å; C575-C585 CovalentContact SG-SG 2.03Å; C575-C585 PolarHBondContact SG-SG 2.84Å; R578-C585 CarbonylContact O-C 2.91Å; R578-C585 WeakPolarHBondContact O-CA 3.43Å; H583-C585 PolarHBondContact O-N 3.38Å |
| 586 | V | 84.2 | Confident | 75.3 | Confident | 25 Ų | 25 | 58.2 Ų | 58.2 | 15% | 0.152 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 152.9 | -175.8 | -60.7 | 0 | 0 | 0 | 0 | 110.8 | Y577 R578 A580 L592 | Y577-V586 WeakPolarHBondContact CB-O 3.38Å; R578-V586 HydrophobicContact CB-CG2 4.03Å; R578-V586 PolarHBondContact N-O 2.65Å; R578-V586 PolarHBondContact O-N 2.7Å; A580-V586 HydrophobicContact CB-CG1 3.92Å; A580-V586 HydrophobicContact CB-CG2 4.13Å; V586-L592 HydrophobicContact CG1-CD1 4.26Å; V586-L592 HydrophobicContact CG1-CD2 4.46Å; V586-L592 HydrophobicContact CG2-CD1 4.02Å |
| 587 | Q | 81.8 | Confident | 74.5 | Confident | 127 Ų | 127 | 57.1 Ų | 57.1 | 59% | 0.593 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -75.5 | -37.6 | -177.7 | -71.8 | -178.4 | -18.9 | 0 | 0 | 113.7 | Y577 | Y577-Q587 WeakPolarHBondContact CB-O 3.22Å; Y577-Q587 HydrophobicContact CD2-CB 4.37Å; Y577-Q587 HydrophobicContact CD2-CG 4.01Å; Y577-Q587 HydrophobicContact CE2-CG 3.94Å |
| 588 | S | 77.5 | Confident | 73.5 | Confident | 23 Ų | 23 | 53.4 Ų | 53.4 | 16% | 0.161 | 31% | 0.305 | C | S | . | . | trans | -152.9 | 144 | -178.8 | 176.1 | 0 | 0 | 0 | 0 | 109.9 | S590 E598 | S588-S590 PolarHBondContact O-N 2.74Å; S588-S590 WeakPolarHBondContact OG-CB 3.49Å; S588-S590 PolarHBondContact OG-N 3.41Å; S588-S590 VanDerWaalsContact OG-N 3.13Å; S588-S590 PolarHBondContact OG-OG 2.81Å; S588-S590 VanDerWaalsContact OG-OG 3.04Å; S588-E598 WeakPolarHBondContact CA-OE1 3.3Å; S588-E598 VanDerWaalsContact CB-OE1 3.24Å; S588-E598 WeakPolarHBondContact CB-OE1 3.34Å; S588-E598 VanDerWaalsContact OG-CD 3.24Å; S588-E598 PolarHBondContact OG-OE1 3.38Å | ||
| 589 | C | 76.3 | Confident | 72.9 | Confident | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.007 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | -71.4 | -21.9 | 172.6 | -50 | 0 | 0 | 0 | 0 | 111.9 | R578 N591 L592 M596 E598 C634 | R578-C589 WeakPolarHBondContact CD-SG 3.37Å; R578-C589 PolarHBondContact NH1-SG 2.84Å; C589-N591 PolarHBondContact O-N 2.89Å; C589-N591 VanDerWaalsContact O-N 3.14Å; C589-L592 WeakPolarHBondContact O-CB 3.45Å; C589-L592 PolarHBondContact O-N 3.38Å; C589-M596 WeakPolarHBondContact CB-O 3.44Å; C589-E598 PolarHBondContact N-OE1 3.34Å; C589-C634 WeakPolarHBondContact CA-SG 3.45Å; C589-C634 HydrophobicContact CB-CB 3.85Å; C589-C634 WeakPolarHBondContact CB-SG 3.49Å; C589-C634 WeakPolarHBondContact SG-CA 3.47Å; C589-C634 WeakPolarHBondContact SG-CB 3.19Å; C589-C634 CovalentContact SG-SG 2.04Å; C589-C634 PolarHBondContact SG-SG 3.41Å |
| 590 | S | 72.2 | Confident | 71.8 | Confident | 66 Ų | 66 | 59.9 Ų | 59.9 | 46% | 0.462 | 34% | 0.335 | S | S | . | . | G | 310 helix | trans | -61.8 | -21.6 | 179.3 | -44.7 | 0 | 0 | 0 | 0 | 113.4 | S588 | S588-S590 PolarHBondContact O-N 2.74Å; S588-S590 WeakPolarHBondContact OG-CB 3.49Å; S588-S590 PolarHBondContact OG-N 3.41Å; S588-S590 VanDerWaalsContact OG-N 3.13Å; S588-S590 PolarHBondContact OG-OG 2.81Å; S588-S590 VanDerWaalsContact OG-OG 3.04Å |
| 591 | N | 66.5 | Low | 71.1 | Confident | 129 Ų | 129 | 60.5 Ų | 60.5 | 69% | 0.69 | 34% | 0.337 | S | S | * | . | G | 310 helix | trans | -91 | -1 | 176.8 | -66.3 | -4.3 | 0 | 0 | 0 | 113 | C589 | C589-N591 PolarHBondContact O-N 2.89Å; C589-N591 VanDerWaalsContact O-N 3.14Å |
| 592 | L | 67.3 | Low | 70.6 | Confident | 48 Ų | 48 | 65.1 Ų | 65.1 | 25% | 0.251 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -106.4 | 108.3 | -178.7 | -64.1 | 179.3 | 0 | 0 | 0 | 111.1 | A580 V586 C589 G594 Y595 C634 | A580-L592 HydrophobicContact CB-CD1 3.6Å; V586-L592 HydrophobicContact CG1-CD1 4.26Å; V586-L592 HydrophobicContact CG1-CD2 4.46Å; V586-L592 HydrophobicContact CG2-CD1 4.02Å; C589-L592 WeakPolarHBondContact O-CB 3.45Å; C589-L592 PolarHBondContact O-N 3.38Å; L592-G594 PolarHBondContact O-N 3.19Å; L592-Y595 HydrophobicContact CB-CD2 3.6Å; L592-Y595 HydrophobicContact CB-CE2 4.35Å; L592-Y595 HydrophobicContact CB-CG 4.02Å; L592-Y595 HydrophobicContact CD1-CD2 4.06Å; L592-Y595 HydrophobicContact CD1-CE2 4.27Å; L592-Y595 HydrophobicContact CD1-CG 4.23Å; L592-Y595 HydrophobicContact CG-CD2 4.46Å; L592-Y595 PolarHBondContact O-N 3.43Å; L592-C634 HydrophobicContact CD1-CB 4.33Å |
| 593 | T | 70.8 | Confident | 70.1 | Confident | 140 Ų | 140 | 64.5 Ų | 64.5 | 86% | 0.859 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | 130.7 | 169.5 | 47.1 | 0 | 0 | 0 | 0 | 110.8 | ||
| 594 | G | 72.2 | Confident | 69.1 | Low | 40 Ų | 40 | 64.6 Ų | 64.6 | 41% | 0.412 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.2 | 4.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | L592 C637 | L592-G594 PolarHBondContact O-N 3.19Å; G594-C637 PolarHBondContact O-N 2.89Å |
| 595 | Y | 74.1 | Confident | 67.6 | Low | 58 Ų | 58 | 68.5 Ų | 68.5 | 23% | 0.227 | 36% | 0.355 | C | S | . | . | B | Isolated β-bridge | trans | -112.6 | 158.8 | 173.6 | -71.2 | -100.1 | 0 | 0 | 0 | 111.9 | L592 C634 V635 P636 S644 | L592-Y595 HydrophobicContact CB-CD2 3.6Å; L592-Y595 HydrophobicContact CB-CE2 4.35Å; L592-Y595 HydrophobicContact CB-CG 4.02Å; L592-Y595 HydrophobicContact CD1-CD2 4.06Å; L592-Y595 HydrophobicContact CD1-CE2 4.27Å; L592-Y595 HydrophobicContact CD1-CG 4.23Å; L592-Y595 HydrophobicContact CG-CD2 4.46Å; L592-Y595 PolarHBondContact O-N 3.43Å; Y595-C634 HydrophobicContact CD1-CB 3.53Å; Y595-C634 VanDerWaalsContact CD1-O 3.29Å; Y595-C634 WeakPolarHBondContact CD1-O 3.3Å; Y595-C634 HydrophobicContact CE1-CB 4.01Å; Y595-C634 VanDerWaalsContact CE1-O 3.25Å; Y595-C634 WeakPolarHBondContact CE1-O 3.46Å; Y595-C634 HydrophobicContact CG-CB 4.26Å; Y595-V635 WeakPolarHBondContact CA-O 3.38Å; Y595-V635 WeakPolarHBondContact CD1-O 3.23Å; Y595-P636 HydrophobicContact CD1-CB 4.22Å; Y595-P636 HydrophobicContact CE1-CB 4.06Å; Y595-S644 PolarHBondContact O-OG 3.39Å |
| 596 | M | 72.2 | Confident | 66 | Low | 9 Ų | 9 | 73.7 Ų | 73.7 | 4% | 0.044 | 38% | 0.381 | C | S | . | . | trans | -65 | 137.4 | 174.6 | 176.5 | 167.8 | 45.9 | 0 | 0 | 110.6 | C589 E601 L604 V635 | C589-M596 WeakPolarHBondContact CB-O 3.44Å; M596-E601 HydrophobicContact CE-CG 3.47Å; M596-E601 VanDerWaalsContact CE-CG 3.47Å; M596-E601 HydrophobicContact CG-CG 4.27Å; M596-E601 HydrophobicContact SD-CG 3.87Å; M596-L604 HydrophobicContact SD-CD1 4.21Å; M596-V635 HydrophobicContact CE-CB 3.95Å; M596-V635 HydrophobicContact CE-CG2 4.08Å; M596-V635 PolarHBondContact N-O 2.95Å | ||
| 597 | S | 67.4 | Low | 64.4 | Low | 22 Ų | 22 | 75.1 Ų | 75.1 | 15% | 0.154 | 39% | 0.392 | C | S | . | . | trans | -85.1 | 146.9 | 176 | 77.7 | 0 | 0 | 0 | 0 | 112.2 | Q599 W600 | S597-Q599 PolarHBondContact O-N 2.94Å; S597-W600 PolarHBondContact O-N 2.97Å; S597-W600 VanDerWaalsContact OG-CD1 3.28Å | ||
| 598 | E | 63 | Low | 62.8 | Low | 47 Ų | 47 | 77.6 Ų | 77.6 | 22% | 0.22 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -64.8 | -9 | -174.6 | -71.2 | 164.5 | -150.9 | 0 | 0 | 114.5 | S588 C589 | S588-E598 WeakPolarHBondContact CA-OE1 3.3Å; S588-E598 VanDerWaalsContact CB-OE1 3.24Å; S588-E598 WeakPolarHBondContact CB-OE1 3.34Å; S588-E598 VanDerWaalsContact OG-CD 3.24Å; S588-E598 PolarHBondContact OG-OE1 3.38Å; C589-E598 PolarHBondContact N-OE1 3.34Å |
| 599 | Q | 63.8 | Low | 61.4 | Low | 143 Ų | 143 | 80 Ų | 80 | 67% | 0.668 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -70.9 | -33.7 | 173 | -69.3 | -179.2 | -27.4 | 0 | 0 | 112 | S597 | S597-Q599 PolarHBondContact O-N 2.94Å |
| 600 | W | 55.9 | Low | 59.9 | Low | 78 Ų | 78 | 86.2 Ų | 86.2 | 30% | 0.295 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -90.7 | -32.5 | -175.8 | -58.5 | 108.5 | 0 | 0 | 0 | 113.2 | S597 K602 Q603 L604 T646 I654 | S597-W600 PolarHBondContact O-N 2.97Å; S597-W600 VanDerWaalsContact OG-CD1 3.28Å; W600-K602 PolarHBondContact O-N 3.26Å; W600-Q603 HydrophobicContact CE3-CG 4.48Å; W600-Q603 WeakPolarHBondContact O-CA 3.5Å; W600-Q603 PolarHBondContact O-N 3.27Å; W600-L604 PolarHBondContact O-N 3.31Å; W600-T646 HydrophobicContact CB-CG2 4.33Å; W600-T646 HydrophobicContact CD2-CG2 3.85Å; W600-T646 HydrophobicContact CE3-CG2 3.84Å; W600-T646 HydrophobicContact CG-CG2 4.03Å; W600-T646 HydrophobicContact CZ3-CG2 4.49Å; W600-I654 HydrophobicContact CD2-CD1 4.05Å; W600-I654 HydrophobicContact CG-CD1 4.06Å; W600-I654 HydrophobicContact CZ2-CD1 4.11Å |
| 601 | E | 56 | Low | 58.5 | Low | 25 Ų | 25 | 89.5 Ų | 89.5 | 12% | 0.117 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -54.7 | -40.9 | 169.5 | -74.4 | -175.5 | -160.5 | 0 | 0 | 112.4 | R578 M596 Q603 L604 Q605 | R578-E601 IonicContact CZ-OE1 3.76Å; R578-E601 IonicContact CZ-OE2 3.31Å; R578-E601 VanDerWaalsContact CZ-OE2 3.23Å; R578-E601 IonicContact NH1-OE1 2.67Å; R578-E601 PolarHBondContact NH1-OE1 2.91Å; R578-E601 IonicContact NH1-OE2 3.65Å; R578-E601 PolarHBondContact NH1-OE2 3.27Å; R578-E601 IonicContact NH2-OE2 2.93Å; R578-E601 PolarHBondContact NH2-OE2 3.05Å; M596-E601 HydrophobicContact CE-CG 3.47Å; M596-E601 VanDerWaalsContact CE-CG 3.47Å; M596-E601 HydrophobicContact CG-CG 4.27Å; M596-E601 HydrophobicContact SD-CG 3.87Å; E601-Q603 PolarHBondContact O-N 3.35Å; E601-L604 PolarHBondContact O-N 3.28Å; E601-Q605 WeakPolarHBondContact O-CG 3.36Å; E601-Q605 PolarHBondContact O-N 3.39Å |
| 602 | K | 56.5 | Low | 57.3 | Low | 138 Ų | 138 | 93.1 Ų | 93.1 | 60% | 0.6 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -65.1 | -26.9 | 176.5 | -73.6 | 174 | -178.6 | 166.7 | 0 | 112.7 | W600 I606 | W600-K602 PolarHBondContact O-N 3.26Å; K602-I606 VanDerWaalsContact O-CD1 3.3Å; K602-I606 WeakPolarHBondContact O-CD1 3.2Å; K602-I606 VanDerWaalsContact O-CG1 3.29Å; K602-I606 WeakPolarHBondContact O-CG1 3.12Å |
| 603 | Q | 54 | Low | 55.8 | Low | 110 Ų | 110 | 100.9 Ų | 100.9 | 51% | 0.514 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -81.4 | -38.2 | 172.7 | -63.1 | -167.4 | 15 | 0 | 0 | 112.1 | W600 E601 Q605 I606 S607 | W600-Q603 HydrophobicContact CE3-CG 4.48Å; W600-Q603 WeakPolarHBondContact O-CA 3.5Å; W600-Q603 PolarHBondContact O-N 3.27Å; E601-Q603 PolarHBondContact O-N 3.35Å; Q603-Q605 VanDerWaalsContact C-N 3.29Å; Q603-Q605 PolarHBondContact O-N 2.04Å; Q603-I606 CarbonylContact O-C 3.25Å; Q603-I606 WeakPolarHBondContact O-CA 3.27Å; Q603-I606 WeakPolarHBondContact O-CB 3.37Å; Q603-I606 PolarHBondContact O-N 2.84Å; Q603-S607 PolarHBondContact O-N 3.36Å |
| 604 | L | 51.2 | Low | 53.9 | Low | 59 Ų | 59 | 97.5 Ų | 97.5 | 31% | 0.309 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.4 | -34.3 | 172.8 | -82.8 | 175.5 | 0 | 0 | 0 | 113.1 | M596 W600 E601 I606 S607 K608 T646 | M596-L604 HydrophobicContact SD-CD1 4.21Å; W600-L604 PolarHBondContact O-N 3.31Å; E601-L604 PolarHBondContact O-N 3.28Å; L604-I606 PolarHBondContact O-N 3.12Å; L604-S607 PolarHBondContact O-OG 3.38Å; L604-K608 WeakPolarHBondContact O-CB 3.4Å; L604-K608 WeakPolarHBondContact O-CG 3.27Å; L604-K608 PolarHBondContact O-N 2.67Å; L604-T646 VanDerWaalsContact CD1-O 3.23Å; L604-T646 WeakPolarHBondContact CD1-O 3.38Å |
| 605 | Q | 51.1 | Low | 51.9 | Low | 145 Ų | 145 | 103.7 Ų | 103.7 | 68% | 0.678 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -71.1 | -16.7 | 172.2 | -70.9 | -173.8 | 7.7 | 0 | 0 | 113.5 | E601 Q603 | E601-Q605 WeakPolarHBondContact O-CG 3.36Å; E601-Q605 PolarHBondContact O-N 3.39Å; Q603-Q605 VanDerWaalsContact C-N 3.29Å; Q603-Q605 PolarHBondContact O-N 2.04Å |
| 606 | I | 53.3 | Low | 49.8 | Very low | 114 Ų | 114 | 105.5 Ų | 105.5 | 59% | 0.585 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -90.5 | -43.6 | 174.7 | -66.9 | 166.8 | 0 | 0 | 0 | 110.4 | K602 Q603 L604 K609 | K602-I606 VanDerWaalsContact O-CD1 3.3Å; K602-I606 WeakPolarHBondContact O-CD1 3.2Å; K602-I606 VanDerWaalsContact O-CG1 3.29Å; K602-I606 WeakPolarHBondContact O-CG1 3.12Å; Q603-I606 CarbonylContact O-C 3.25Å; Q603-I606 WeakPolarHBondContact O-CA 3.27Å; Q603-I606 WeakPolarHBondContact O-CB 3.37Å; Q603-I606 PolarHBondContact O-N 2.84Å; L604-I606 PolarHBondContact O-N 3.12Å; I606-K609 WeakPolarHBondContact O-CB 3.29Å; I606-K609 PolarHBondContact O-N 3.26Å |
| 607 | S | 48.8 | Very low | 47.9 | Very low | 56 Ų | 56 | 113 Ų | 113 | 39% | 0.392 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -63.9 | -44.4 | 179.6 | 62 | 0 | 0 | 0 | 0 | 112.6 | Q603 L604 K609 N610 | Q603-S607 PolarHBondContact O-N 3.36Å; L604-S607 PolarHBondContact O-OG 3.38Å; S607-K609 PolarHBondContact O-N 3.3Å; S607-N610 PolarHBondContact O-N 3.37Å |
| 608 | K | 48.2 | Very low | 46.3 | Very low | 179 Ų | 179 | 118.5 Ų | 118.5 | 78% | 0.778 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.7 | -3.2 | 175.2 | -76.2 | -172.6 | 174.4 | -177.8 | 0 | 115 | L604 | L604-K608 WeakPolarHBondContact O-CB 3.4Å; L604-K608 WeakPolarHBondContact O-CG 3.27Å; L604-K608 PolarHBondContact O-N 2.67Å |
| 609 | K | 49.7 | Very low | 45 | Very low | 72 Ų | 72 | 125.4 Ų | 125.4 | 31% | 0.313 | 63% | 0.631 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -98.2 | -8.9 | 175.6 | -132.7 | -179.9 | -177.8 | -173.7 | 0 | 114.2 | I606 S607 F1052 | I606-K609 WeakPolarHBondContact O-CB 3.29Å; I606-K609 PolarHBondContact O-N 3.26Å; S607-K609 PolarHBondContact O-N 3.3Å; K609-F1052 HydrophobicContact CD-CD2 4.47Å; K609-F1052 HydrophobicContact CD-CE2 4.32Å |
| 610 | N | 43.7 | Very low | 43.5 | Very low | 132 Ų | 132 | 126 Ų | 126 | 71% | 0.706 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.9 | -15.9 | -175.1 | -71.2 | -2 | 0 | 0 | 0 | 114.3 | S607 Y612 | S607-N610 PolarHBondContact O-N 3.37Å; N610-Y612 VanDerWaalsContact C-N 3.29Å; N610-Y612 PolarHBondContact O-N 2.83Å |
| 611 | D | 42.9 | Very low | 42.3 | Very low | 135 Ų | 135 | 131.4 Ų | 131.4 | 72% | 0.722 | 67% | 0.665 | S | S | * | * | trans | -74.3 | 79.5 | 174.9 | -91.5 | -37.6 | 0 | 0 | 0 | 112.1 | ||||
| 612 | Y | 40.9 | Very low | 41.2 | Very low | 206 Ų | 206 | 138.7 Ų | 138.7 | 81% | 0.808 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -120.5 | 127.9 | 154.7 | -100.2 | -109.9 | 0 | 0 | 0 | 106.4 | N610 | N610-Y612 VanDerWaalsContact C-N 3.29Å; N610-Y612 PolarHBondContact O-N 2.83Å |
| 613 | F | 35.8 | Very low | 40.2 | Very low | 210 Ų | 210 | 138 Ų | 138 | 92% | 0.921 | 70% | 0.701 | S | S | * | * | S | Bend | trans | 73.2 | 94.2 | -165.4 | -66.2 | -99.4 | 0 | 0 | 0 | 115.4 | ||
| 614 | G | 32.1 | Very low | 39 | Very low | 70 Ų | 70 | 138.9 Ų | 138.9 | 72% | 0.722 | 71% | 0.709 | S | S | * | * | trans | -169.5 | 138.9 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 615 | N | 30.5 | Very low | 37.9 | Very low | 169 Ų | 169 | 144.8 Ų | 144.8 | 90% | 0.904 | 73% | 0.729 | S | S | * | * | trans | -97.4 | 148.8 | -176.3 | -84.3 | -31.7 | 0 | 0 | 0 | 112.9 | ||||
| 616 | S | 29.9 | Very low | 37 | Very low | 97 Ų | 97 | 144.1 Ų | 144.1 | 68% | 0.678 | 73% | 0.725 | S | S | * | * | S | Bend | trans | 83.3 | 156.3 | 156.7 | -146.5 | 0 | 0 | 0 | 0 | 119.7 | T618 | S616-T618 PolarHBondContact O-N 2.7Š|
| 617 | L | 30.9 | Very low | 35.7 | Very low | 166 Ų | 166 | 145.1 Ų | 145.1 | 87% | 0.869 | 74% | 0.737 | S | S | * | * | trans | 68.4 | 23 | 156.1 | -73.1 | 156.9 | 0 | 0 | 0 | 121.6 | ||||
| 618 | T | 34.5 | Very low | 34.7 | Very low | 137 Ų | 137 | 146.1 Ų | 146.1 | 84% | 0.84 | 75% | 0.749 | S | S | * | * | trans | -130.9 | 78.1 | 171.5 | 46.5 | 0 | 0 | 0 | 0 | 114.4 | S616 | S616-T618 PolarHBondContact O-N 2.7Š| ||
| 619 | K | 35.1 | Very low | 34.2 | Very low | 193 Ų | 193 | 144.2 Ų | 144.2 | 84% | 0.839 | 74% | 0.742 | S | S | * | * | trans | -136.6 | -9.8 | 177.8 | -108.3 | -179.2 | 179.8 | 179.5 | 0 | 119.1 | ||||
| 620 | N | 33.3 | Very low | 33.6 | Very low | 155 Ų | 155 | 147.6 Ų | 147.6 | 83% | 0.829 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -112.1 | 23.2 | -171.1 | -72 | 5.3 | 0 | 0 | 0 | 115.4 | ||
| 621 | F | 31.1 | Very low | 34 | Very low | 192 Ų | 192 | 145.1 Ų | 145.1 | 84% | 0.842 | 75% | 0.754 | S | S | * | * | trans | -130.7 | 42.7 | 179.4 | -106.4 | -80.2 | 0 | 0 | 0 | 114 | L623 | F621-L623 HydrophobicContact CD1-CD1 4.39Å; F621-L623 PolarHBondContact O-N 2.68Å | ||
| 622 | H | 32.2 | Very low | 35 | Very low | 177 Ų | 177 | 142.6 Ų | 142.6 | 82% | 0.819 | 74% | 0.74 | S | S | * | * | trans | -87.8 | 96.4 | 162.9 | -93.2 | -79.3 | 0 | 0 | 0 | 110.4 | ||||
| 623 | L | 34.5 | Very low | 36.3 | Very low | 123 Ų | 123 | 135.3 Ų | 135.3 | 64% | 0.644 | 72% | 0.717 | S | S | * | * | trans | -69.5 | 136.6 | 153.8 | -92.3 | 74.7 | 0 | 0 | 0 | 108.3 | F621 Y625 | F621-L623 HydrophobicContact CD1-CD1 4.39Å; F621-L623 PolarHBondContact O-N 2.68Å; L623-Y625 PolarHBondContact O-N 2.99Å | ||
| 624 | N | 30.4 | Very low | 38.1 | Very low | 130 Ų | 130 | 125.4 Ų | 125.4 | 70% | 0.695 | 67% | 0.673 | S | S | * | * | trans | -74.6 | 66.3 | 173.7 | -79.5 | -0.7 | 0 | 0 | 0 | 111.9 | H626 | N624-H626 PolarHBondContact O-N 2.89Š| ||
| 625 | Y | 27.8 | Very low | 40.1 | Very low | 183 Ų | 183 | 124.3 Ų | 124.3 | 72% | 0.718 | 65% | 0.653 | S | S | * | * | trans | -76.6 | 91.9 | 153.6 | -100.8 | -81.7 | 0 | 0 | 0 | 108.1 | L623 T627 | L623-Y625 PolarHBondContact O-N 2.99Å; Y625-T627 PolarHBondContact O-N 3.18Å | ||
| 626 | H | 31.2 | Very low | 42.2 | Very low | 130 Ų | 130 | 119.9 Ų | 119.9 | 60% | 0.602 | 63% | 0.633 | S | S | * | * | trans | -59.6 | 135.4 | 171.3 | -83.1 | -88.5 | 0 | 0 | 0 | 110 | N624 A628 | N624-H626 PolarHBondContact O-N 2.89Å; H626-A628 PolarHBondContact O-N 2.07Å | ||
| 627 | T | 26.5 | Very low | 44.7 | Very low | 135 Ų | 135 | 115.9 Ų | 115.9 | 83% | 0.828 | 61% | 0.605 | S | S | * | * | trans | -76.2 | 115.2 | -159.7 | 50.7 | 0 | 0 | 0 | 0 | 113.1 | Y625 | Y625-T627 PolarHBondContact O-N 3.18Š| ||
| 628 | A | 28 | Very low | 47.2 | Very low | 78 Ų | 78 | 111 Ų | 111 | 65% | 0.645 | 58% | 0.578 | S | S | * | * | trans | -120.4 | 159.8 | 148.6 | 0 | 0 | 0 | 0 | 0 | 108.3 | H626 | H626-A628 PolarHBondContact O-N 2.07Š| ||
| 629 | E | 37.5 | Very low | 49.6 | Very low | 138 Ų | 138 | 108.9 Ų | 108.9 | 65% | 0.645 | 57% | 0.566 | S | S | * | * | trans | -50.8 | 151.4 | -166.5 | -59.7 | 170.5 | 134.6 | 0 | 0 | 114.7 | E631 | E629-E631 VanDerWaalsContact C-N 3.31Å; E629-E631 PolarHBondContact O-N 3.06Å | ||
| 630 | T | 35.9 | Very low | 52.2 | Low | 143 Ų | 143 | 100.7 Ų | 100.7 | 88% | 0.877 | 53% | 0.531 | S | S | * | . | trans | -68.9 | 78.6 | -174.2 | 55 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 631 | E | 52.1 | Low | 54.7 | Low | 81 Ų | 81 | 94.2 Ų | 94.2 | 38% | 0.379 | 50% | 0.498 | S | S | . | . | trans | -64.6 | 141.4 | 161.5 | -67.4 | -175.4 | -176.6 | 0 | 0 | 110 | R574 E629 V633 | R574-E631 IonicContact CZ-OE1 3.66Å; R574-E631 IonicContact NE-OE1 3.94Å; R574-E631 PolarHBondContact NE-OE1 3.01Å; R574-E631 IonicContact NH2-OE1 2.65Å; R574-E631 PolarHBondContact NH2-OE1 2.97Å; E629-E631 VanDerWaalsContact C-N 3.31Å; E629-E631 PolarHBondContact O-N 3.06Å; E631-V633 VanDerWaalsContact C-N 3.32Å; E631-V633 PolarHBondContact O-N 3.4Å | ||
| 632 | D | 64.3 | Low | 56.9 | Low | 81 Ų | 81 | 86.9 Ų | 86.9 | 43% | 0.433 | 48% | 0.477 | S | S | . | . | trans | -67.1 | 81 | -178.6 | -70.1 | -97.1 | 0 | 0 | 0 | 112.7 | R578 R579 | R578-D632 CarbonylContact C-O 3.12Å; R578-D632 WeakPolarHBondContact CA-O 3.43Å; R578-D632 HydrophobicContact CB-CB 4.17Å; R578-D632 VanDerWaalsContact CB-O 3.26Å; R578-D632 WeakPolarHBondContact CB-O 3.44Å; R578-D632 HydrophobicContact CG-CB 3.63Å; R578-D632 IonicContact CZ-OD1 2.76Å; R578-D632 VanDerWaalsContact CZ-OD1 3.25Å; R578-D632 IonicContact NE-OD1 3.96Å; R578-D632 PolarHBondContact NE-OD1 3.09Å; R578-D632 VanDerWaalsContact NE-OD1 3.15Å; R578-D632 IonicContact NH2-OD1 4Å; R578-D632 PolarHBondContact NH2-OD1 3.49Å; R579-D632 PolarHBondContact N-O 3.44Å | ||
| 633 | V | 68 | Low | 58.9 | Low | 54 Ų | 54 | 85.8 Ų | 85.8 | 33% | 0.327 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 125.1 | 172.7 | 179.9 | 0 | 0 | 0 | 0 | 109.6 | R579 E631 V635 | R579-V633 VanDerWaalsContact NH2-CG2 3.32Å; R579-V633 CarbonylContact O-C 3.6Å; R579-V633 WeakPolarHBondContact O-CA 3.3Å; E631-V633 VanDerWaalsContact C-N 3.32Å; E631-V633 PolarHBondContact O-N 3.4Å; V633-V635 PolarHBondContact O-N 2.86Å |
| 634 | C | 74.1 | Confident | 61 | Low | 1 Ų | 1 | 81 Ų | 81 | 1% | 0.007 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 114.7 | 168.2 | -65 | 0 | 0 | 0 | 0 | 109.2 | R579 C589 L592 Y595 | R579-C634 PolarHBondContact O-N 3.01Å; C589-C634 WeakPolarHBondContact CA-SG 3.45Å; C589-C634 HydrophobicContact CB-CB 3.85Å; C589-C634 WeakPolarHBondContact CB-SG 3.49Å; C589-C634 WeakPolarHBondContact SG-CA 3.47Å; C589-C634 WeakPolarHBondContact SG-CB 3.19Å; C589-C634 CovalentContact SG-SG 2.04Å; C589-C634 PolarHBondContact SG-SG 3.41Å; L592-C634 HydrophobicContact CD1-CB 4.33Å; Y595-C634 HydrophobicContact CD1-CB 3.53Å; Y595-C634 VanDerWaalsContact CD1-O 3.29Å; Y595-C634 WeakPolarHBondContact CD1-O 3.3Å; Y595-C634 HydrophobicContact CE1-CB 4.01Å; Y595-C634 VanDerWaalsContact CE1-O 3.25Å; Y595-C634 WeakPolarHBondContact CE1-O 3.46Å; Y595-C634 HydrophobicContact CG-CB 4.26Å |
| 635 | V | 73.3 | Confident | 63.5 | Low | 48 Ų | 48 | 74.9 Ų | 74.9 | 29% | 0.291 | 41% | 0.413 | S | S | . | . | P | Polyproline II helix | trans | -79.8 | 125.2 | 177.6 | -176.9 | 0 | 0 | 0 | 0 | 109.2 | Y595 M596 V633 P648 | Y595-V635 WeakPolarHBondContact CA-O 3.38Å; Y595-V635 WeakPolarHBondContact CD1-O 3.23Å; M596-V635 HydrophobicContact CE-CB 3.95Å; M596-V635 HydrophobicContact CE-CG2 4.08Å; M596-V635 PolarHBondContact N-O 2.95Å; V633-V635 PolarHBondContact O-N 2.86Å; V635-P648 HydrophobicContact CG1-CB 4.07Å; V635-P648 HydrophobicContact CG1-CG 4.48Å |
| 636 | P | 76.2 | Confident | 65.8 | Low | 75 Ų | 75 | 68.3 Ų | 68.3 | 49% | 0.487 | 39% | 0.393 | S | S | . | . | B | Isolated β-bridge | trans | -68.8 | 142.3 | 173.4 | 29.5 | -34.1 | 0 | 0 | 0 | 110.3 | Y595 | Y595-P636 HydrophobicContact CD1-CB 4.22Å; Y595-P636 HydrophobicContact CE1-CB 4.06Å |
| 637 | C | 81.9 | Confident | 67.7 | Low | 14 Ų | 14 | 62.1 Ų | 62.1 | 10% | 0.095 | 36% | 0.364 | C | S | . | . | P | Polyproline II helix | trans | -70.9 | 162 | 171.1 | -65.5 | 0 | 0 | 0 | 0 | 111.3 | G594 C641 C645 | G594-C637 PolarHBondContact O-N 2.89Å; C637-C641 HydrophobicContact CB-CB 4.12Å; C637-C645 WeakPolarHBondContact CA-SG 3.35Å; C637-C645 HydrophobicContact CB-CB 3.67Å; C637-C645 WeakPolarHBondContact CB-SG 3.05Å; C637-C645 WeakPolarHBondContact SG-CB 3.01Å; C637-C645 PolarHBondContact SG-N 3.05Å; C637-C645 CovalentContact SG-SG 2.04Å; C637-C645 PolarHBondContact SG-SG 3.46Å |
| 638 | H | 84.1 | Confident | 70.1 | Confident | 63 Ų | 63 | 59.4 Ų | 59.4 | 29% | 0.292 | 35% | 0.349 | S | S | . | . | P | Polyproline II helix | trans | -55.1 | 137.8 | 170.3 | -168 | -106.6 | 0 | 0 | 0 | 110.6 | E640 C641 P648 | H638-E640 PolarHBondContact O-N 2.87Å; H638-C641 WeakPolarHBondContact O-CB 3.19Å; H638-C641 PolarHBondContact O-N 2.87Å; H638-C641 PolarHBondContact O-SG 2.86Å; H638-P648 WeakPolarHBondContact CB-O 3.2Å |
| 639 | P | 84.6 | Confident | 72.4 | Confident | 92 Ų | 92 | 56.5 Ų | 56.5 | 60% | 0.597 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -15.9 | -174.7 | -28.9 | 36.8 | 0 | 0 | 0 | 116.2 | K658 | P639-K658 WeakPolarHBondContact O-CD 3.37Š|
| 640 | E | 88.2 | Confident | 74.6 | Confident | 21 Ų | 21 | 50.6 Ų | 50.6 | 10% | 0.098 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | -1.2 | 176 | -65.5 | -54.6 | 123.9 | 0 | 0 | 114.8 | H638 G642 C657 K658 T659 C666 | H638-E640 PolarHBondContact O-N 2.87Å; E640-G642 PolarHBondContact O-N 3.45Å; E640-C657 WeakPolarHBondContact O-CA 3.45Å; E640-K658 WeakPolarHBondContact O-CB 3.27Å; E640-K658 PolarHBondContact O-N 2.9Å; E640-T659 WeakPolarHBondContact OE2-CB 3.26Å; E640-T659 PolarHBondContact OE2-N 3.12Å; E640-T659 PolarHBondContact OE2-OG1 3.11Å; E640-C666 HydrophobicContact CB-CB 3.85Å |
| 641 | C | 86.1 | Confident | 77 | Confident | 19 Ų | 19 | 49.6 Ų | 49.6 | 13% | 0.128 | 29% | 0.286 | C | S | . | . | B | Isolated β-bridge | trans | -74.1 | 116.8 | 173 | -58 | 0 | 0 | 0 | 0 | 110.4 | C637 H638 K643 C653 | C637-C641 HydrophobicContact CB-CB 4.12Å; H638-C641 WeakPolarHBondContact O-CB 3.19Å; H638-C641 PolarHBondContact O-N 2.87Å; H638-C641 PolarHBondContact O-SG 2.86Å; C641-K643 VanDerWaalsContact C-N 3.35Å; C641-K643 PolarHBondContact O-N 3.19Å; C641-C653 WeakPolarHBondContact CA-SG 3.4Å; C641-C653 HydrophobicContact CB-CB 3.71Å; C641-C653 WeakPolarHBondContact CB-SG 3.48Å; C641-C653 WeakPolarHBondContact SG-CA 3.19Å; C641-C653 WeakPolarHBondContact SG-CB 3.17Å; C641-C653 CovalentContact SG-SG 2.04Å; C641-C653 PolarHBondContact SG-SG 3.48Å |
| 642 | G | 77.5 | Confident | 78.5 | Confident | 39 Ų | 39 | 47.8 Ų | 47.8 | 40% | 0.402 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -80.8 | -3.7 | -174.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | E640 S656 | E640-G642 PolarHBondContact O-N 3.45Å; G642-S656 WeakPolarHBondContact CA-O 3.32Å; G642-S656 PolarHBondContact N-O 3.3Å; G642-S656 VanDerWaalsContact N-O 3.14Å |
| 643 | K | 75.3 | Confident | 79.5 | Confident | 154 Ų | 154 | 44.7 Ų | 44.7 | 67% | 0.67 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -141 | -63.3 | 176.2 | -63 | -173.6 | 178.6 | -176.3 | 0 | 113.2 | C641 | C641-K643 VanDerWaalsContact C-N 3.35Å; C641-K643 PolarHBondContact O-N 3.19Å |
| 644 | S | 78.2 | Confident | 80 | Confident | 23 Ų | 23 | 44.7 Ų | 44.7 | 16% | 0.161 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.2 | -166.1 | 177.5 | -167.5 | 0 | 0 | 0 | 0 | 109.2 | Y595 I654 | Y595-S644 PolarHBondContact O-OG 3.39Å; S644-I654 PolarHBondContact O-N 3.3Å |
| 645 | C | 81.6 | Confident | 80.2 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 160.4 | -174.3 | 58.7 | 0 | 0 | 0 | 0 | 112 | C637 G647 E652 I654 | C637-C645 WeakPolarHBondContact CA-SG 3.35Å; C637-C645 HydrophobicContact CB-CB 3.67Å; C637-C645 WeakPolarHBondContact CB-SG 3.05Å; C637-C645 WeakPolarHBondContact SG-CB 3.01Å; C637-C645 PolarHBondContact SG-N 3.05Å; C637-C645 CovalentContact SG-SG 2.04Å; C637-C645 PolarHBondContact SG-SG 3.46Å; C645-G647 WeakPolarHBondContact CB-O 3.09Å; C645-G647 PolarHBondContact SG-O 2.89Å; C645-E652 CarbonylContact C-O 3.46Å; C645-E652 VanDerWaalsContact CA-O 3.32Å; C645-E652 WeakPolarHBondContact CA-O 3.07Å; C645-I654 VanDerWaalsContact C-CD1 3.48Å |
| 646 | T | 76.7 | Confident | 80.5 | Confident | 46 Ų | 46 | 47.7 Ų | 47.7 | 28% | 0.282 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -88 | -13.6 | 165.6 | 48.2 | 0 | 0 | 0 | 0 | 112.8 | W600 L604 E652 I654 | W600-T646 HydrophobicContact CB-CG2 4.33Å; W600-T646 HydrophobicContact CD2-CG2 3.85Å; W600-T646 HydrophobicContact CE3-CG2 3.84Å; W600-T646 HydrophobicContact CG-CG2 4.03Å; W600-T646 HydrophobicContact CZ3-CG2 4.49Å; L604-T646 VanDerWaalsContact CD1-O 3.23Å; L604-T646 WeakPolarHBondContact CD1-O 3.38Å; T646-E652 PolarHBondContact N-O 3.36Å; T646-E652 WeakPolarHBondContact OG1-CB 3.44Å; T646-E652 PolarHBondContact OG1-O 3.49Å; T646-I654 HydrophobicContact CG2-CD1 3.75Å; T646-I654 HydrophobicContact CG2-CG1 4.05Å |
| 647 | G | 72.1 | Confident | 81 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -174.8 | -179.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112 | C645 G649 E652 | C645-G647 WeakPolarHBondContact CB-O 3.09Å; C645-G647 PolarHBondContact SG-O 2.89Å; G647-G649 VanDerWaalsContact C-N 3.29Å; G647-G649 PolarHBondContact O-N 3.1Å; G647-E652 VanDerWaalsContact CA-OE2 3.27Å; G647-E652 WeakPolarHBondContact CA-OE2 3.34Å |
| 648 | P | 76.8 | Confident | 81.1 | Confident | 78 Ų | 78 | 49.6 Ų | 49.6 | 51% | 0.506 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -73.7 | -11 | -173.8 | 31.2 | -36.8 | 0 | 0 | 0 | 115.1 | V635 H638 E652 | V635-P648 HydrophobicContact CG1-CB 4.07Å; V635-P648 HydrophobicContact CG1-CG 4.48Å; H638-P648 WeakPolarHBondContact CB-O 3.2Å; P648-E652 VanDerWaalsContact CD-OE2 3.27Å; P648-E652 WeakPolarHBondContact CD-OE2 3.37Å; P648-E652 VanDerWaalsContact N-OE2 3.11Å |
| 649 | G | 76.6 | Confident | 81.2 | Confident | 16 Ų | 16 | 49 Ų | 49 | 17% | 0.165 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -78.6 | 152.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | G647 H651 E652 | G647-G649 VanDerWaalsContact C-N 3.29Å; G647-G649 PolarHBondContact O-N 3.1Å; G649-H651 PolarHBondContact O-N 2.67Å; G649-E652 WeakPolarHBondContact CA-OE2 3.49Å; G649-E652 PolarHBondContact N-OE2 3.44Å; G649-E652 WeakPolarHBondContact O-CB 3.47Å; G649-E652 PolarHBondContact O-N 2.64Å |
| 650 | A | 83.6 | Confident | 81.3 | Confident | 14 Ų | 14 | 44.6 Ų | 44.6 | 12% | 0.116 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -25 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q665 C666 | A650-Q665 HydrophobicContact CB-CB 4.21Å; A650-C666 PolarHBondContact O-N 2.69Å |
| 651 | H | 86.1 | Confident | 81.3 | Confident | 122 Ų | 122 | 48.3 Ų | 48.3 | 57% | 0.565 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | -10 | 173.6 | 54.9 | -88.6 | 0 | 0 | 0 | 113.3 | G649 G664 Q665 | G649-H651 PolarHBondContact O-N 2.67Å; H651-G664 WeakPolarHBondContact CB-O 3.32Å; H651-Q665 HydrophobicContact CB-CB 3.99Å |
| 652 | E | 83.3 | Confident | 81.4 | Confident | 43 Ų | 43 | 47.8 Ų | 47.8 | 20% | 0.201 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -96 | 3.8 | -175.2 | -58.4 | -175 | 107.1 | 0 | 0 | 112.6 | C645 T646 G647 P648 G649 | C645-E652 CarbonylContact C-O 3.46Å; C645-E652 VanDerWaalsContact CA-O 3.32Å; C645-E652 WeakPolarHBondContact CA-O 3.07Å; T646-E652 PolarHBondContact N-O 3.36Å; T646-E652 WeakPolarHBondContact OG1-CB 3.44Å; T646-E652 PolarHBondContact OG1-O 3.49Å; G647-E652 VanDerWaalsContact CA-OE2 3.27Å; G647-E652 WeakPolarHBondContact CA-OE2 3.34Å; P648-E652 VanDerWaalsContact CD-OE2 3.27Å; P648-E652 WeakPolarHBondContact CD-OE2 3.37Å; P648-E652 VanDerWaalsContact N-OE2 3.11Å; G649-E652 WeakPolarHBondContact CA-OE2 3.49Å; G649-E652 PolarHBondContact N-OE2 3.44Å; G649-E652 WeakPolarHBondContact O-CB 3.47Å; G649-E652 PolarHBondContact O-N 2.64Å |
| 653 | C | 84.9 | Confident | 81.6 | Confident | 17 Ų | 17 | 52.7 Ų | 52.7 | 12% | 0.115 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 140.9 | -179.1 | -65.1 | 0 | 0 | 0 | 0 | 113.4 | C641 | C641-C653 WeakPolarHBondContact CA-SG 3.4Å; C641-C653 HydrophobicContact CB-CB 3.71Å; C641-C653 WeakPolarHBondContact CB-SG 3.48Å; C641-C653 WeakPolarHBondContact SG-CA 3.19Å; C641-C653 WeakPolarHBondContact SG-CB 3.17Å; C641-C653 CovalentContact SG-SG 2.04Å; C641-C653 PolarHBondContact SG-SG 3.48Å |
| 654 | I | 78.8 | Confident | 82 | Confident | 54 Ų | 54 | 47.1 Ų | 47.1 | 28% | 0.277 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 126.8 | 177.1 | -58.2 | 174.4 | 0 | 0 | 0 | 110 | W600 S644 C645 T646 | W600-I654 HydrophobicContact CD2-CD1 4.05Å; W600-I654 HydrophobicContact CG-CD1 4.06Å; W600-I654 HydrophobicContact CZ2-CD1 4.11Å; S644-I654 PolarHBondContact O-N 3.3Å; C645-I654 VanDerWaalsContact C-CD1 3.48Å; T646-I654 HydrophobicContact CG2-CD1 3.75Å; T646-I654 HydrophobicContact CG2-CG1 4.05Å |
| 655 | G | 77.5 | Confident | 82.6 | Confident | 48 Ų | 48 | 49.8 Ų | 49.8 | 50% | 0.495 | 29% | 0.286 | S | S | . | . | S | Bend | trans | 87.3 | -161.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 656 | S | 80.1 | Confident | 83 | Confident | 64 Ų | 64 | 49.9 Ų | 49.9 | 45% | 0.448 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -64.9 | 139 | 177.4 | 51.8 | 0 | 0 | 0 | 0 | 111.8 | G642 | G642-S656 WeakPolarHBondContact CA-O 3.32Å; G642-S656 PolarHBondContact N-O 3.3Å; G642-S656 VanDerWaalsContact N-O 3.14Å |
| 657 | C | 86.4 | Confident | 83.6 | Confident | 6 Ų | 6 | 49 Ų | 49 | 4% | 0.041 | 28% | 0.28 | C | S | . | . | B | Isolated β-bridge | trans | -60.3 | 153.1 | 165.6 | -53.7 | 0 | 0 | 0 | 0 | 111.5 | E640 A660 C666 R681 | E640-C657 WeakPolarHBondContact O-CA 3.45Å; C657-A660 WeakPolarHBondContact CB-O 3.39Å; C657-A660 PolarHBondContact SG-O 3.5Å; C657-C666 WeakPolarHBondContact CA-SG 3.4Å; C657-C666 HydrophobicContact CB-CB 3.7Å; C657-C666 WeakPolarHBondContact CB-SG 3.35Å; C657-C666 WeakPolarHBondContact SG-CA 3.06Å; C657-C666 WeakPolarHBondContact SG-CB 3.38Å; C657-C666 CovalentContact SG-SG 2.04Å; C657-C666 PolarHBondContact SG-SG 3.01Å; C657-R681 PolarHBondContact O-NH1 2.89Å |
| 658 | K | 85 | Confident | 84.2 | Confident | 123 Ų | 123 | 52.4 Ų | 52.4 | 54% | 0.535 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -62.1 | -53.1 | 171.5 | -175.8 | -175.8 | 176.2 | -166.7 | 0 | 110.1 | P639 E640 R681 | P639-K658 WeakPolarHBondContact O-CD 3.37Å; E640-K658 WeakPolarHBondContact O-CB 3.27Å; E640-K658 PolarHBondContact O-N 2.9Å; K658-R681 PolarHBondContact O-NH1 3.25Å; K658-R681 VanDerWaalsContact O-NH1 3.1Å |
| 659 | T | 85.4 | Confident | 84.6 | Confident | 49 Ų | 49 | 56.4 Ų | 56.4 | 30% | 0.301 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -101.1 | -76 | 178.3 | -44.3 | 0 | 0 | 0 | 0 | 112.5 | E640 S668 | E640-T659 WeakPolarHBondContact OE2-CB 3.26Å; E640-T659 PolarHBondContact OE2-N 3.12Å; E640-T659 PolarHBondContact OE2-OG1 3.11Å; T659-S668 WeakPolarHBondContact CG2-O 3.39Å |
| 660 | A | 87.4 | Confident | 85.1 | Confident | 1 Ų | 1 | 57.1 Ų | 57.1 | 1% | 0.008 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 159.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | C657 C666 V667 L676 R681 | C657-A660 WeakPolarHBondContact CB-O 3.39Å; C657-A660 PolarHBondContact SG-O 3.5Å; A660-C666 CarbonylContact O-C 3.2Å; A660-C666 WeakPolarHBondContact O-CA 3.47Å; A660-V667 HydrophobicContact CB-CG2 4.03Å; A660-V667 PolarHBondContact N-O 3.28Å; A660-V667 VanDerWaalsContact N-O 3.14Å; A660-V667 PolarHBondContact O-N 3.48Å; A660-L676 HydrophobicContact CB-CD1 3.55Å; A660-L676 HydrophobicContact CB-CD2 4.37Å; A660-R681 CarbonylContact C-O 3.51Å; A660-R681 WeakPolarHBondContact CA-O 3.47Å |
| 661 | W | 87.8 | Confident | 85.1 | Confident | 98 Ų | 98 | 62.2 Ų | 62.2 | 37% | 0.371 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 129.7 | 168.8 | 179.5 | -84.4 | 0 | 0 | 0 | 110.8 | Q665 R681 I682 C683 | W661-Q665 WeakPolarHBondContact CA-O 3.44Å; W661-R681 PolarHBondContact N-O 2.8Å; W661-I682 HydrophobicContact CB-CG1 4.42Å; W661-C683 PolarHBondContact O-N 3.41Å |
| 662 | S | 88.2 | Confident | 84.9 | Confident | 9 Ų | 9 | 57.6 Ų | 57.6 | 6% | 0.063 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 137.1 | 173.9 | -154 | 0 | 0 | 0 | 0 | 109.6 | G664 Q665 | S662-G664 PolarHBondContact O-N 3.35Å; S662-Q665 PolarHBondContact N-O 2.84Å; S662-Q665 WeakPolarHBondContact O-CG 3.43Å; S662-Q665 PolarHBondContact O-N 2.88Å |
| 663 | D | 81.9 | Confident | 85 | Confident | 141 Ų | 141 | 59.8 Ų | 59.8 | 75% | 0.754 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.6 | 36.6 | 164.2 | -48.1 | -64.6 | 0 | 0 | 0 | 115.8 | ||
| 664 | G | 83.7 | Confident | 85.2 | Confident | 37 Ų | 37 | 59.8 Ų | 59.8 | 38% | 0.381 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91 | 6.6 | 178 | 0 | 0 | 0 | 0 | 0 | 115.7 | H651 S662 | H651-G664 WeakPolarHBondContact CB-O 3.32Å; S662-G664 PolarHBondContact O-N 3.35Å |
| 665 | Q | 89.8 | Confident | 85.7 | Confident | 80 Ų | 80 | 58.6 Ų | 58.6 | 37% | 0.374 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 157.3 | -176.9 | 55.8 | -175.6 | -13.2 | 0 | 0 | 113.8 | A650 H651 W661 S662 V667 | A650-Q665 HydrophobicContact CB-CB 4.21Å; H651-Q665 HydrophobicContact CB-CB 3.99Å; W661-Q665 WeakPolarHBondContact CA-O 3.44Å; S662-Q665 PolarHBondContact N-O 2.84Å; S662-Q665 WeakPolarHBondContact O-CG 3.43Å; S662-Q665 PolarHBondContact O-N 2.88Å; Q665-V667 HydrophobicContact CG-CG1 4.09Å |
| 666 | C | 90.7 | Very high | 86.2 | Confident | 1 Ų | 1 | 58.9 Ų | 58.9 | 1% | 0.007 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 127.1 | 169.4 | -69.5 | 0 | 0 | 0 | 0 | 111.1 | E640 A650 C657 A660 | E640-C666 HydrophobicContact CB-CB 3.85Å; A650-C666 PolarHBondContact O-N 2.69Å; C657-C666 WeakPolarHBondContact CA-SG 3.4Å; C657-C666 HydrophobicContact CB-CB 3.7Å; C657-C666 WeakPolarHBondContact CB-SG 3.35Å; C657-C666 WeakPolarHBondContact SG-CA 3.06Å; C657-C666 WeakPolarHBondContact SG-CB 3.38Å; C657-C666 CovalentContact SG-SG 2.04Å; C657-C666 PolarHBondContact SG-SG 3.01Å; A660-C666 CarbonylContact O-C 3.2Å; A660-C666 WeakPolarHBondContact O-CA 3.47Å |
| 667 | V | 88.8 | Confident | 86.4 | Confident | 27 Ų | 27 | 57 Ų | 57 | 16% | 0.164 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 144.9 | -178.2 | -60.8 | 0 | 0 | 0 | 0 | 111 | A660 Q665 E669 | A660-V667 HydrophobicContact CB-CG2 4.03Å; A660-V667 PolarHBondContact N-O 3.28Å; A660-V667 VanDerWaalsContact N-O 3.14Å; A660-V667 PolarHBondContact O-N 3.48Å; Q665-V667 HydrophobicContact CG-CG1 4.09Å; V667-E669 VanDerWaalsContact C-N 3.34Å; V667-E669 WeakPolarHBondContact CB-O 3.34Å; V667-E669 VanDerWaalsContact CG2-O 3.24Å; V667-E669 WeakPolarHBondContact CG2-O 3.05Å |
| 668 | S | 85.9 | Confident | 86 | Confident | 73 Ų | 73 | 63.3 Ų | 63.3 | 51% | 0.51 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -76.3 | -22.8 | 173.6 | 56.7 | 0 | 0 | 0 | 0 | 112.6 | T659 | T659-S668 WeakPolarHBondContact CG2-O 3.39Š|
| 669 | E | 84.2 | Confident | 85.6 | Confident | 162 Ų | 162 | 64.9 Ų | 64.9 | 76% | 0.757 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -141.1 | 141 | 177.2 | -64.6 | -173.9 | -171 | 0 | 0 | 110.2 | V667 | V667-E669 VanDerWaalsContact C-N 3.34Å; V667-E669 WeakPolarHBondContact CB-O 3.34Å; V667-E669 VanDerWaalsContact CG2-O 3.24Å; V667-E669 WeakPolarHBondContact CG2-O 3.05Å |
| 670 | C | 87.9 | Confident | 85.4 | Confident | 31 Ų | 31 | 70.5 Ų | 70.5 | 21% | 0.209 | 36% | 0.363 | C | S | . | . | trans | -75.2 | 146.2 | 176.5 | -75.1 | 0 | 0 | 0 | 0 | 112.4 | T674 C683 | C670-T674 WeakPolarHBondContact CB-OG1 3.24Å; C670-C683 WeakPolarHBondContact CA-SG 3.38Å; C670-C683 HydrophobicContact CB-CB 3.73Å; C670-C683 WeakPolarHBondContact CB-SG 3.28Å; C670-C683 VanDerWaalsContact SG-CA 3.51Å; C670-C683 WeakPolarHBondContact SG-CB 3.19Å; C670-C683 CovalentContact SG-SG 2.04Å; C670-C683 PolarHBondContact SG-SG 3.4Å | ||
| 671 | H | 83.8 | Confident | 85.2 | Confident | 120 Ų | 120 | 76.3 Ų | 76.3 | 56% | 0.556 | 38% | 0.384 | S | S | * | . | trans | -63.1 | 146.2 | 179.8 | -172.7 | -104.1 | 0 | 0 | 0 | 111.9 | N673 T674 | H671-N673 PolarHBondContact ND1-OD1 3.15Å; H671-N673 PolarHBondContact O-N 3.36Å; H671-T674 PolarHBondContact N-OG1 3.28Å; H671-T674 WeakPolarHBondContact O-CA 3.31Å; H671-T674 PolarHBondContact O-N 3.42Å; H671-T674 PolarHBondContact O-OG1 3.33Å | ||
| 672 | A | 82.2 | Confident | 85.1 | Confident | 25 Ų | 25 | 75.1 Ų | 75.1 | 21% | 0.207 | 39% | 0.385 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -3 | -160 | 0 | 0 | 0 | 0 | 0 | 116.8 | P699 V700 | A672-P699 CarbonylContact O-C 3.49Å; A672-P699 VanDerWaalsContact O-CA 3.22Å; A672-P699 WeakPolarHBondContact O-CA 3.36Å; A672-V700 WeakPolarHBondContact O-CG2 3.27Å; A672-V700 PolarHBondContact O-N 3.38Å |
| 673 | N | 85.4 | Confident | 85.2 | Confident | 90 Ų | 90 | 75.4 Ų | 75.4 | 48% | 0.481 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | 5.5 | 168.5 | 63.9 | -25.6 | 0 | 0 | 0 | 113.6 | H671 C686 V700 | H671-N673 PolarHBondContact ND1-OD1 3.15Å; H671-N673 PolarHBondContact O-N 3.36Å; N673-C686 WeakPolarHBondContact O-CB 3.32Å; N673-C686 PolarHBondContact O-N 3.44Å; N673-V700 HydrophobicContact CB-CG2 4.44Å |
| 674 | T | 89.4 | Confident | 85.6 | Confident | 16 Ų | 16 | 70.2 Ų | 70.2 | 10% | 0.098 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 165.4 | -179.6 | 65.5 | 0 | 0 | 0 | 0 | 111.4 | C670 H671 C683 E684 | C670-T674 WeakPolarHBondContact CB-OG1 3.24Å; H671-T674 PolarHBondContact N-OG1 3.28Å; H671-T674 WeakPolarHBondContact O-CA 3.31Å; H671-T674 PolarHBondContact O-N 3.42Å; H671-T674 PolarHBondContact O-OG1 3.33Å; T674-C683 HydrophobicContact CG2-CB 4.45Å; T674-E684 CarbonylContact C-O 3.51Å; T674-E684 WeakPolarHBondContact CA-O 3.43Å; T674-E684 WeakPolarHBondContact CB-O 3.4Å |
| 675 | Y | 88.4 | Confident | 85.8 | Confident | 30 Ų | 30 | 73.4 Ų | 73.4 | 12% | 0.118 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 153.3 | 168.4 | 66.1 | -85.7 | 0 | 0 | 0 | 110 | N677 C683 E684 C701 | Y675-N677 HydrophobicContact CE2-CB 4.17Å; Y675-N677 PolarHBondContact O-N 3Å; Y675-C683 CarbonylContact O-C 2.95Å; Y675-C683 WeakPolarHBondContact O-CA 3.3Å; Y675-E684 HydrophobicContact CD1-CB 4.39Å; Y675-E684 WeakPolarHBondContact CD1-O 3.46Å; Y675-E684 HydrophobicContact CE1-CB 3.8Å; Y675-E684 HydrophobicContact CE2-CB 4.04Å; Y675-E684 PolarHBondContact N-O 3.45Å; Y675-E684 PolarHBondContact O-N 3.1Å; Y675-E684 PolarHBondContact OH-OE2 3.01Å; Y675-C701 WeakPolarHBondContact CD1-SG 3.17Å |
| 676 | L | 87.2 | Confident | 85.8 | Confident | 54 Ų | 54 | 70.5 Ų | 70.5 | 28% | 0.283 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 112.1 | 171.8 | -180 | 52.4 | 0 | 0 | 0 | 109.9 | A660 M678 | A660-L676 HydrophobicContact CB-CD1 3.55Å; A660-L676 HydrophobicContact CB-CD2 4.37Å; L676-M678 HydrophobicContact CD2-SD 3.87Å; L676-M678 HydrophobicContact CG-SD 4.06Å; L676-M678 PolarHBondContact O-N 2.71Å |
| 677 | N | 85 | Confident | 85.5 | Confident | 23 Ų | 23 | 73.6 Ų | 73.6 | 12% | 0.123 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 109.2 | 163.7 | -178.8 | -55.7 | 0 | 0 | 0 | 108.1 | Y675 D679 R680 R681 I682 E684 | Y675-N677 HydrophobicContact CE2-CB 4.17Å; Y675-N677 PolarHBondContact O-N 3Å; N677-D679 VanDerWaalsContact C-N 3.32Å; N677-D679 PolarHBondContact O-N 2.88Å; N677-D679 PolarHBondContact OD1-N 2.79Å; N677-D679 VanDerWaalsContact OD1-N 3.1Å; N677-R680 HydrophobicContact CB-CB 4.3Å; N677-R680 PolarHBondContact O-N 2.84Å; N677-R680 WeakPolarHBondContact OD1-CB 3.47Å; N677-R680 PolarHBondContact OD1-N 2.73Å; N677-R681 VanDerWaalsContact O-CA 3.25Å; N677-R681 WeakPolarHBondContact O-CA 3.25Å; N677-R681 PolarHBondContact O-N 3.26Å; N677-I682 WeakPolarHBondContact CB-O 3.43Å; N677-I682 PolarHBondContact N-O 2.94Å; N677-E684 HydrophobicContact CB-CG 3.9Å; N677-E684 WeakPolarHBondContact CB-OE2 3.47Å; N677-E684 VanDerWaalsContact ND2-CD 3.27Å; N677-E684 PolarHBondContact ND2-OE1 3.47Å; N677-E684 PolarHBondContact ND2-OE2 2.94Å |
| 678 | M | 77.6 | Confident | 85.2 | Confident | 140 Ų | 140 | 77.7 Ų | 77.7 | 69% | 0.69 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -32.6 | -174.7 | -70.2 | -64.4 | -65.3 | 0 | 0 | 113.3 | L676 | L676-M678 HydrophobicContact CD2-SD 3.87Å; L676-M678 HydrophobicContact CG-SD 4.06Å; L676-M678 PolarHBondContact O-N 2.71Å |
| 679 | D | 77.2 | Confident | 84.9 | Confident | 156 Ų | 156 | 75.2 Ų | 75.2 | 83% | 0.834 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -36 | -178.3 | -49.2 | -50 | 0 | 0 | 0 | 111.6 | N677 | N677-D679 VanDerWaalsContact C-N 3.32Å; N677-D679 PolarHBondContact O-N 2.88Å; N677-D679 PolarHBondContact OD1-N 2.79Å; N677-D679 VanDerWaalsContact OD1-N 3.1Å |
| 680 | R | 80.7 | Confident | 84.9 | Confident | 167 Ų | 167 | 67.9 Ų | 67.9 | 63% | 0.63 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.9 | -22.1 | -178.3 | -66.1 | 175.2 | 169.7 | 177.1 | -5.9 | 113.8 | N677 I682 E684 | N677-R680 HydrophobicContact CB-CB 4.3Å; N677-R680 PolarHBondContact O-N 2.84Å; N677-R680 WeakPolarHBondContact OD1-CB 3.47Å; N677-R680 PolarHBondContact OD1-N 2.73Å; R680-I682 HydrophobicContact CB-CB 4.26Å; R680-I682 HydrophobicContact CB-CD1 4.26Å; R680-I682 HydrophobicContact CB-CG1 4.25Å; R680-I682 PolarHBondContact O-N 2.87Å; R680-E684 WeakPolarHBondContact CD-OE1 3.3Å; R680-E684 IonicContact CZ-OE1 3.58Å; R680-E684 IonicContact NE-OE1 3.36Å; R680-E684 IonicContact NH1-OE1 3.61Å; R680-E684 PolarHBondContact NH1-OE1 2.86Å |
| 681 | R | 82.5 | Confident | 84.6 | Confident | 123 Ų | 123 | 68.9 Ų | 68.9 | 46% | 0.464 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.2 | 35.6 | -165.4 | -56.3 | -170 | -174.1 | -166.5 | 0.6 | 114 | C657 K658 A660 W661 N677 | C657-R681 PolarHBondContact O-NH1 2.89Å; K658-R681 PolarHBondContact O-NH1 3.25Å; K658-R681 VanDerWaalsContact O-NH1 3.1Å; A660-R681 CarbonylContact C-O 3.51Å; A660-R681 WeakPolarHBondContact CA-O 3.47Å; W661-R681 PolarHBondContact N-O 2.8Å; N677-R681 VanDerWaalsContact O-CA 3.25Å; N677-R681 WeakPolarHBondContact O-CA 3.25Å; N677-R681 PolarHBondContact O-N 3.26Å |
| 682 | I | 86.6 | Confident | 84.2 | Confident | 73 Ų | 73 | 66.8 Ų | 66.8 | 37% | 0.374 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 144.5 | 178 | -64.3 | 170.9 | 0 | 0 | 0 | 108.7 | W661 N677 R680 E684 | W661-I682 HydrophobicContact CB-CG1 4.42Å; N677-I682 WeakPolarHBondContact CB-O 3.43Å; N677-I682 PolarHBondContact N-O 2.94Å; R680-I682 HydrophobicContact CB-CB 4.26Å; R680-I682 HydrophobicContact CB-CD1 4.26Å; R680-I682 HydrophobicContact CB-CG1 4.25Å; R680-I682 PolarHBondContact O-N 2.87Å; I682-E684 PolarHBondContact O-N 3.48Å |
| 683 | C | 90.6 | Very high | 83.7 | Confident | 15 Ų | 15 | 66.8 Ų | 66.8 | 10% | 0.101 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 107.7 | 172.4 | -57.7 | 0 | 0 | 0 | 0 | 110.6 | W661 C670 T674 Y675 | W661-C683 PolarHBondContact O-N 3.41Å; C670-C683 WeakPolarHBondContact CA-SG 3.38Å; C670-C683 HydrophobicContact CB-CB 3.73Å; C670-C683 WeakPolarHBondContact CB-SG 3.28Å; C670-C683 VanDerWaalsContact SG-CA 3.51Å; C670-C683 WeakPolarHBondContact SG-CB 3.19Å; C670-C683 CovalentContact SG-SG 2.04Å; C670-C683 PolarHBondContact SG-SG 3.4Å; T674-C683 HydrophobicContact CG2-CB 4.45Å; Y675-C683 CarbonylContact O-C 2.95Å; Y675-C683 WeakPolarHBondContact O-CA 3.3Å |
| 684 | E | 89.7 | Confident | 83 | Confident | 31 Ų | 31 | 67.7 Ų | 67.7 | 15% | 0.145 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 144.8 | -178.2 | -72.6 | -174.7 | 159 | 0 | 0 | 111.8 | T674 Y675 N677 R680 I682 | T674-E684 CarbonylContact C-O 3.51Å; T674-E684 WeakPolarHBondContact CA-O 3.43Å; T674-E684 WeakPolarHBondContact CB-O 3.4Å; Y675-E684 HydrophobicContact CD1-CB 4.39Å; Y675-E684 WeakPolarHBondContact CD1-O 3.46Å; Y675-E684 HydrophobicContact CE1-CB 3.8Å; Y675-E684 HydrophobicContact CE2-CB 4.04Å; Y675-E684 PolarHBondContact N-O 3.45Å; Y675-E684 PolarHBondContact O-N 3.1Å; Y675-E684 PolarHBondContact OH-OE2 3.01Å; N677-E684 HydrophobicContact CB-CG 3.9Å; N677-E684 WeakPolarHBondContact CB-OE2 3.47Å; N677-E684 VanDerWaalsContact ND2-CD 3.27Å; N677-E684 PolarHBondContact ND2-OE1 3.47Å; N677-E684 PolarHBondContact ND2-OE2 2.94Å; R680-E684 WeakPolarHBondContact CD-OE1 3.3Å; R680-E684 IonicContact CZ-OE1 3.58Å; R680-E684 IonicContact NE-OE1 3.36Å; R680-E684 IonicContact NH1-OE1 3.61Å; R680-E684 PolarHBondContact NH1-OE1 2.86Å; I682-E684 PolarHBondContact O-N 3.48Å |
| 685 | P | 88.7 | Confident | 81.7 | Confident | 104 Ų | 104 | 68.7 Ų | 68.7 | 68% | 0.675 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 142.1 | -174.2 | 28.3 | -35.6 | 0 | 0 | 0 | 113.5 | ||
| 686 | C | 88.4 | Confident | 80.6 | Confident | 20 Ų | 20 | 69.9 Ų | 69.9 | 14% | 0.135 | 35% | 0.35 | C | S | . | . | P | Polyproline II helix | trans | -74.2 | 155.2 | 177.8 | -70.4 | 0 | 0 | 0 | 0 | 114.1 | N673 V700 C701 | N673-C686 WeakPolarHBondContact O-CB 3.32Å; N673-C686 PolarHBondContact O-N 3.44Å; C686-V700 HydrophobicContact CB-CB 3.79Å; C686-V700 HydrophobicContact CB-CG1 3.49Å; C686-V700 VanDerWaalsContact CB-CG1 3.49Å; C686-C701 WeakPolarHBondContact CA-SG 3.42Å; C686-C701 HydrophobicContact CB-CB 3.75Å; C686-C701 WeakPolarHBondContact CB-SG 3.34Å; C686-C701 WeakPolarHBondContact SG-CB 3.43Å; C686-C701 PolarHBondContact SG-N 3.45Å; C686-C701 CovalentContact SG-SG 2.04Å; C686-C701 PolarHBondContact SG-SG 3.16Å |
| 687 | Q | 85.6 | Confident | 79.7 | Confident | 65 Ų | 65 | 73.3 Ų | 73.3 | 30% | 0.304 | 36% | 0.362 | S | S | . | . | P | Polyproline II helix | trans | -60.5 | 143.8 | 175.5 | -61.5 | -76.3 | -9.6 | 0 | 0 | 112.7 | H689 C690 P704 | Q687-H689 VanDerWaalsContact C-N 3.26Å; Q687-H689 VanDerWaalsContact CB-CE1 3.43Å; Q687-H689 WeakPolarHBondContact CB-CE1 3.33Å; Q687-H689 PolarHBondContact O-N 2.96Å; Q687-C690 VanDerWaalsContact O-CB 3.27Å; Q687-C690 WeakPolarHBondContact O-CB 3.24Å; Q687-C690 PolarHBondContact O-N 3.33Å; Q687-P704 WeakPolarHBondContact CG-O 3.42Å; Q687-P704 PolarHBondContact NE2-O 3.17Å |
| 688 | T | 82 | Confident | 79.1 | Confident | 114 Ų | 114 | 75.9 Ų | 75.9 | 70% | 0.699 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | -8 | -174.4 | 56.3 | 0 | 0 | 0 | 0 | 115.9 | R748 | T688-R748 PolarHBondContact O-NH1 2.77Š|
| 689 | H | 80.2 | Confident | 79.1 | Confident | 20 Ų | 20 | 71.4 Ų | 71.4 | 9% | 0.093 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | -4 | 170.9 | 56.1 | -94.6 | 0 | 0 | 0 | 112.8 | Q687 H691 R706 R748 | Q687-H689 VanDerWaalsContact C-N 3.26Å; Q687-H689 VanDerWaalsContact CB-CE1 3.43Å; Q687-H689 WeakPolarHBondContact CB-CE1 3.33Å; Q687-H689 PolarHBondContact O-N 2.96Å; H689-H691 PolarHBondContact O-CD2 2.97Å; H689-R706 WeakPolarHBondContact NE2-CG 3.28Å; H689-R748 HydrophobicContact CB-CB 4.09Å |
| 690 | C | 84.3 | Confident | 79.6 | Confident | 9 Ų | 9 | 64.9 Ų | 64.9 | 6% | 0.061 | 32% | 0.32 | C | S | . | . | trans | -82.1 | 138.5 | 164.3 | -57 | 0 | 0 | 0 | 0 | 109.1 | Q687 V700 C701 C713 | Q687-C690 VanDerWaalsContact O-CB 3.27Å; Q687-C690 WeakPolarHBondContact O-CB 3.24Å; Q687-C690 PolarHBondContact O-N 3.33Å; C690-V700 HydrophobicContact CB-CG1 3.37Å; C690-V700 WeakPolarHBondContact O-CG1 3.3Å; C690-C701 HydrophobicContact CB-CB 4.42Å; C690-C713 WeakPolarHBondContact CA-SG 3.4Å; C690-C713 HydrophobicContact CB-CB 3.57Å; C690-C713 WeakPolarHBondContact CB-SG 3.21Å; C690-C713 WeakPolarHBondContact SG-CA 3.35Å; C690-C713 WeakPolarHBondContact SG-CB 3.06Å; C690-C713 CovalentContact SG-SG 2.03Å; C690-C713 PolarHBondContact SG-SG 2.96Å | ||
| 691 | H | 80.2 | Confident | 79.9 | Confident | 52 Ų | 52 | 56.9 Ų | 56.9 | 24% | 0.241 | 29% | 0.29 | C | S | . | . | trans | -113.1 | 141.9 | 177.1 | -68.4 | -101.9 | 0 | 0 | 0 | 110.7 | H689 R693 K715 | H689-H691 PolarHBondContact O-CD2 2.97Å; H691-R693 PolarHBondContact O-N 2.82Å; H691-K715 HydrophobicContact CB-CB 4.38Å; H691-K715 HydrophobicContact CB-CD 3.99Å; H691-K715 HydrophobicContact CB-CG 4.14Å; H691-K715 PolarHBondContact N-O 2.89Å | ||
| 692 | Q | 75.4 | Confident | 80 | Confident | 76 Ų | 76 | 54 Ų | 54 | 36% | 0.355 | 29% | 0.286 | S | S | . | . | trans | -64.7 | 132.9 | 172.3 | -158.5 | -171.1 | 14.4 | 0 | 0 | 109.2 | Q694 Q698 V700 | Q692-Q694 PolarHBondContact O-N 3.14Å; Q692-Q698 WeakPolarHBondContact CG-O 3.26Å; Q692-V700 HydrophobicContact CB-CG2 3.63Å; Q692-V700 HydrophobicContact CG-CG2 4.05Å | ||
| 693 | R | 73.1 | Confident | 79.9 | Confident | 25 Ų | 25 | 50.7 Ų | 50.7 | 9% | 0.094 | 27% | 0.27 | C | S | . | . | trans | -70.5 | 87.6 | 161.9 | -67.7 | -170.7 | 172 | -171.2 | 0.5 | 108.1 | H691 L695 T696 K697 N714 K715 K770 Y771 A772 E773 | H691-R693 PolarHBondContact O-N 2.82Å; R693-L695 PolarHBondContact O-N 2.9Å; R693-T696 VanDerWaalsContact CB-OG1 3.26Å; R693-T696 WeakPolarHBondContact CB-OG1 3.49Å; R693-K697 WeakPolarHBondContact O-CA 3.45Å; R693-K697 PolarHBondContact O-N 3.25Å; R693-N714 VanDerWaalsContact CZ-O 3.29Å; R693-N714 PolarHBondContact NE-O 3.38Å; R693-N714 PolarHBondContact NH2-O 3.18Å; R693-N714 VanDerWaalsContact NH2-O 3.16Å; R693-K715 HydrophobicContact CG-CB 4.09Å; R693-K770 PolarHBondContact NH2-O 2.93Å; R693-K770 VanDerWaalsContact NH2-O 3.12Å; R693-Y771 PolarHBondContact NH2-O 2.55Å; R693-A772 PolarHBondContact NH2-O 2.84Å; R693-E773 WeakPolarHBondContact CA-OE1 3.47Å; R693-E773 HydrophobicContact CG-CG 4.22Å | ||
| 694 | Q | 69.2 | Low | 79.7 | Confident | 109 Ų | 109 | 53.5 Ų | 53.5 | 51% | 0.509 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | 33.6 | 178.3 | 26.2 | 146.5 | -87.5 | 0 | 0 | 113.5 | Q692 R1885 | Q692-Q694 PolarHBondContact O-N 3.14Å; Q694-R1885 PolarHBondContact O-NE 3.03Å; Q694-R1885 PolarHBondContact O-NH2 3.08Å; Q694-R1885 VanDerWaalsContact OE1-CD 3.29Å; Q694-R1885 VanDerWaalsContact OE1-NE 3.13Å |
| 695 | L | 62.6 | Low | 79.4 | Confident | 37 Ų | 37 | 52.8 Ų | 52.8 | 19% | 0.194 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -142.7 | -53.6 | -179.8 | -117.2 | 170.5 | 0 | 0 | 0 | 113.7 | R693 K697 F775 N1881 R1885 | R693-L695 PolarHBondContact O-N 2.9Å; L695-K697 PolarHBondContact O-N 2.83Å; L695-F775 HydrophobicContact CD1-CD2 3.14Å; L695-F775 HydrophobicContact CD1-CE2 3.61Å; L695-F775 HydrophobicContact CD1-CG 4.21Å; L695-N1881 HydrophobicContact CD1-CB 4.12Å; L695-N1881 WeakPolarHBondContact CD1-O 3.32Å; L695-N1881 HydrophobicContact CD2-CB 3.64Å; L695-R1885 HydrophobicContact CD1-CB 3.94Å; L695-R1885 HydrophobicContact CD2-CB 4.12Å; L695-R1885 HydrophobicContact CG-CB 3.77Å; L695-R1885 HydrophobicContact CG-CG 4.17Å |
| 696 | T | 66.3 | Low | 79.2 | Confident | 55 Ų | 55 | 55.4 Ų | 55.4 | 34% | 0.337 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -14.5 | 167.3 | 51.3 | 0 | 0 | 0 | 0 | 111.4 | R693 Q698 I774 | R693-T696 VanDerWaalsContact CB-OG1 3.26Å; R693-T696 WeakPolarHBondContact CB-OG1 3.49Å; T696-Q698 PolarHBondContact O-N 2.86Å; T696-Q698 WeakPolarHBondContact OG1-CB 3.48Å; T696-Q698 WeakPolarHBondContact OG1-CG 3.29Å; T696-Q698 PolarHBondContact OG1-N 2.82Å; T696-Q698 PolarHBondContact OG1-OE1 3.4Å; T696-I774 HydrophobicContact CG2-CD1 3.32Å; T696-I774 HydrophobicContact CG2-CG1 4.1Å |
| 697 | K | 68.9 | Low | 79 | Confident | 126 Ų | 126 | 57.9 Ų | 57.9 | 55% | 0.548 | 30% | 0.296 | S | S | . | . | trans | 54.1 | 12.3 | -167.7 | -64.3 | -176.9 | 178.1 | 178.1 | 0 | 113.7 | R693 L695 | R693-K697 WeakPolarHBondContact O-CA 3.45Å; R693-K697 PolarHBondContact O-N 3.25Å; L695-K697 PolarHBondContact O-N 2.83Å | ||
| 698 | Q | 70.6 | Confident | 78.9 | Confident | 77 Ų | 77 | 55 Ų | 55 | 36% | 0.36 | 28% | 0.283 | S | S | . | . | trans | -50.2 | 146.6 | 171.7 | -79.9 | 167 | -44.8 | 0 | 0 | 109.9 | Q692 T696 | Q692-Q698 WeakPolarHBondContact CG-O 3.26Å; T696-Q698 PolarHBondContact O-N 2.86Å; T696-Q698 WeakPolarHBondContact OG1-CB 3.48Å; T696-Q698 WeakPolarHBondContact OG1-CG 3.29Å; T696-Q698 PolarHBondContact OG1-N 2.82Å; T696-Q698 PolarHBondContact OG1-OE1 3.4Å | ||
| 699 | P | 79 | Confident | 78.8 | Confident | 46 Ų | 46 | 50.2 Ų | 50.2 | 30% | 0.299 | 26% | 0.256 | S | S | . | . | trans | -56.8 | 154.5 | 179.4 | 24.1 | -33.8 | 0 | 0 | 0 | 110.7 | A672 C701 N714 | A672-P699 CarbonylContact O-C 3.49Å; A672-P699 VanDerWaalsContact O-CA 3.22Å; A672-P699 WeakPolarHBondContact O-CA 3.36Å; P699-C701 WeakPolarHBondContact CB-O 3.38Å; P699-C701 WeakPolarHBondContact CG-O 3.39Å; P699-C701 PolarHBondContact O-N 2.81Å; P699-C701 VanDerWaalsContact O-N 3.15Å; P699-N714 WeakPolarHBondContact O-CB 3.01Å; P699-N714 PolarHBondContact O-ND2 3.45Å | ||
| 700 | V | 86.2 | Confident | 78.8 | Confident | 18 Ų | 18 | 58 Ų | 58 | 11% | 0.109 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -53.7 | -36 | -179.7 | 168.3 | 0 | 0 | 0 | 0 | 111.4 | A672 N673 C686 C690 Q692 N714 | A672-V700 WeakPolarHBondContact O-CG2 3.27Å; A672-V700 PolarHBondContact O-N 3.38Å; N673-V700 HydrophobicContact CB-CG2 4.44Å; C686-V700 HydrophobicContact CB-CB 3.79Å; C686-V700 HydrophobicContact CB-CG1 3.49Å; C686-V700 VanDerWaalsContact CB-CG1 3.49Å; C690-V700 HydrophobicContact CB-CG1 3.37Å; C690-V700 WeakPolarHBondContact O-CG1 3.3Å; Q692-V700 HydrophobicContact CB-CG2 3.63Å; Q692-V700 HydrophobicContact CG-CG2 4.05Å; V700-N714 PolarHBondContact O-N 3.23Å |
| 701 | C | 89 | Confident | 78.7 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 30% | 0.3 | C | S | . | . | B | Isolated β-bridge | trans | -144 | 177.2 | 179 | 72.1 | 0 | 0 | 0 | 0 | 110.8 | Y675 C686 C690 P699 G703 G712 | Y675-C701 WeakPolarHBondContact CD1-SG 3.17Å; C686-C701 WeakPolarHBondContact CA-SG 3.42Å; C686-C701 HydrophobicContact CB-CB 3.75Å; C686-C701 WeakPolarHBondContact CB-SG 3.34Å; C686-C701 WeakPolarHBondContact SG-CB 3.43Å; C686-C701 PolarHBondContact SG-N 3.45Å; C686-C701 CovalentContact SG-SG 2.04Å; C686-C701 PolarHBondContact SG-SG 3.16Å; C690-C701 HydrophobicContact CB-CB 4.42Å; P699-C701 WeakPolarHBondContact CB-O 3.38Å; P699-C701 WeakPolarHBondContact CG-O 3.39Å; P699-C701 PolarHBondContact O-N 2.81Å; P699-C701 VanDerWaalsContact O-N 3.15Å; C701-G703 PolarHBondContact SG-O 3.24Å; C701-G703 VanDerWaalsContact SG-O 3.38Å; C701-G712 CarbonylContact C-O 3.49Å; C701-G712 WeakPolarHBondContact CA-O 3.21Å; C701-G712 VanDerWaalsContact CB-O 3.27Å; C701-G712 WeakPolarHBondContact CB-O 3.25Å |
| 702 | T | 84.2 | Confident | 79 | Confident | 61 Ų | 61 | 56.4 Ų | 56.4 | 37% | 0.374 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -125.8 | 15.2 | 170 | 55.4 | 0 | 0 | 0 | 0 | 112.1 | G709 K710 G711 G712 | T702-G709 PolarHBondContact OG1-O 3.09Å; T702-G709 VanDerWaalsContact OG1-O 3.09Å; T702-K710 VanDerWaalsContact OG1-CA 3.29Å; T702-K710 WeakPolarHBondContact OG1-CA 3.4Å; T702-G711 PolarHBondContact OG1-N 3.48Å; T702-G712 PolarHBondContact N-O 3.44Å |
| 703 | G | 84.9 | Confident | 79.6 | Confident | 4 Ų | 4 | 52.8 Ų | 52.8 | 4% | 0.041 | 27% | 0.271 | C | S | . | . | S | Bend | trans | 166.2 | 178.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | C701 G705 G711 | C701-G703 PolarHBondContact SG-O 3.24Å; C701-G703 VanDerWaalsContact SG-O 3.38Å; G703-G705 VanDerWaalsContact C-N 3.29Å; G703-G705 PolarHBondContact O-N 2.91Å; G703-G711 CarbonylContact C-O 3.58Å; G703-G711 VanDerWaalsContact CA-O 3.27Å; G703-G711 WeakPolarHBondContact CA-O 3.39Å |
| 704 | P | 86.2 | Confident | 80 | Confident | 74 Ų | 74 | 52.6 Ų | 52.6 | 48% | 0.481 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -78.4 | -4.4 | -172.3 | 31.6 | -36.6 | 0 | 0 | 0 | 115 | Q687 | Q687-P704 WeakPolarHBondContact CG-O 3.42Å; Q687-P704 PolarHBondContact NE2-O 3.17Å |
| 705 | G | 82.2 | Confident | 80.5 | Confident | 17 Ų | 17 | 49.4 Ų | 49.4 | 18% | 0.175 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 148.7 | -171.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | G703 G711 G712 | G703-G705 VanDerWaalsContact C-N 3.29Å; G703-G705 PolarHBondContact O-N 2.91Å; G705-G711 WeakPolarHBondContact CA-O 3.37Å; G705-G711 PolarHBondContact N-O 3.4Å; G705-G712 WeakPolarHBondContact O-CA 3.33Å |
| 706 | R | 84.4 | Confident | 81.6 | Confident | 158 Ų | 158 | 47.9 Ų | 47.9 | 60% | 0.596 | 25% | 0.249 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 0.4 | 179.6 | -54.3 | -161 | 177 | 176.2 | -0.8 | 114.7 | H689 L745 C746 | H689-R706 WeakPolarHBondContact NE2-CG 3.28Å; R706-L745 HydrophobicContact CB-CD2 4.47Å; R706-C746 VanDerWaalsContact O-CB 3.32Å; R706-C746 WeakPolarHBondContact O-CB 3.31Å; R706-C746 PolarHBondContact O-N 2.8Å |
| 707 | H | 84.8 | Confident | 82.4 | Confident | 73 Ų | 73 | 48.9 Ų | 48.9 | 34% | 0.338 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 160 | 170.8 | 56.7 | 81.8 | 0 | 0 | 0 | 109.4 | K710 G712 C713 L744 | H707-K710 PolarHBondContact CE1-O 3.27Å; H707-G712 CarbonylContact O-C 3.57Å; H707-G712 WeakPolarHBondContact O-CA 3.44Å; H707-C713 PolarHBondContact O-N 2.98Å; H707-L744 VanDerWaalsContact CB-O 3.28Å; H707-L744 WeakPolarHBondContact CB-O 3.05Å |
| 708 | P | 82.8 | Confident | 83.2 | Confident | 5 Ų | 5 | 44.3 Ų | 44.3 | 3% | 0.032 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 158 | 170 | 34 | -35.5 | 0 | 0 | 0 | 111.8 | C713 F719 L744 Y771 | P708-C713 CarbonylContact C-O 3.59Å; P708-C713 WeakPolarHBondContact CA-O 3.06Å; P708-F719 HydrophobicContact CB-CE1 4.15Å; P708-F719 HydrophobicContact CG-CD1 4.23Å; P708-F719 HydrophobicContact CG-CE1 4.01Å; P708-L744 VanDerWaalsContact CD-O 3.23Å; P708-L744 WeakPolarHBondContact CD-O 3.04Å; P708-L744 HydrophobicContact CG-CB 3.97Å; P708-L744 HydrophobicContact CG-CD1 4.49Å; P708-Y771 HydrophobicContact CB-CD1 3.49Å; P708-Y771 VanDerWaalsContact CB-CD1 3.49Å; P708-Y771 HydrophobicContact CB-CD2 4.18Å; P708-Y771 HydrophobicContact CB-CE1 4.12Å; P708-Y771 HydrophobicContact CB-CG 3.5Å; P708-Y771 HydrophobicContact CG-CD1 3.78Å; P708-Y771 HydrophobicContact CG-CD2 3.63Å; P708-Y771 HydrophobicContact CG-CE1 4.11Å; P708-Y771 HydrophobicContact CG-CE2 3.97Å; P708-Y771 HydrophobicContact CG-CG 3.5Å; P708-Y771 VanDerWaalsContact CG-CG 3.5Å |
| 709 | G | 80.2 | Confident | 83.9 | Confident | 13 Ų | 13 | 40.9 Ų | 40.9 | 13% | 0.134 | 21% | 0.214 | C | C | . | . | S | Bend | trans | 95 | -159.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | T702 G711 G712 C713 | T702-G709 PolarHBondContact OG1-O 3.09Å; T702-G709 VanDerWaalsContact OG1-O 3.09Å; G709-G711 PolarHBondContact O-N 2.71Å; G709-G712 CarbonylContact O-C 3.57Å; G709-G712 PolarHBondContact O-N 2.85Å; G709-C713 PolarHBondContact N-O 2.78Å |
| 710 | K | 80 | Confident | 84.2 | Confident | 184 Ų | 184 | 39.9 Ų | 39.9 | 80% | 0.8 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | 125.5 | -176.9 | -171.8 | -179.3 | -179.7 | -177.1 | 0 | 110.5 | T702 H707 G712 | T702-K710 VanDerWaalsContact OG1-CA 3.29Å; T702-K710 WeakPolarHBondContact OG1-CA 3.4Å; H707-K710 PolarHBondContact CE1-O 3.27Å; K710-G712 VanDerWaalsContact C-N 3.35Å |
| 711 | G | 83.5 | Confident | 83.7 | Confident | 27 Ų | 27 | 39.8 Ų | 39.8 | 28% | 0.278 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 87.4 | -5.2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115 | T702 G703 G705 G709 | T702-G711 PolarHBondContact OG1-N 3.48Å; G703-G711 CarbonylContact C-O 3.58Å; G703-G711 VanDerWaalsContact CA-O 3.27Å; G703-G711 WeakPolarHBondContact CA-O 3.39Å; G705-G711 WeakPolarHBondContact CA-O 3.37Å; G705-G711 PolarHBondContact N-O 3.4Å; G709-G711 PolarHBondContact O-N 2.71Å |
| 712 | G | 86.1 | Confident | 82.7 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | -147.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | C701 T702 G705 H707 G709 K710 | C701-G712 CarbonylContact C-O 3.49Å; C701-G712 WeakPolarHBondContact CA-O 3.21Å; C701-G712 VanDerWaalsContact CB-O 3.27Å; C701-G712 WeakPolarHBondContact CB-O 3.25Å; T702-G712 PolarHBondContact N-O 3.44Å; G705-G712 WeakPolarHBondContact O-CA 3.33Å; H707-G712 CarbonylContact O-C 3.57Å; H707-G712 WeakPolarHBondContact O-CA 3.44Å; G709-G712 CarbonylContact O-C 3.57Å; G709-G712 PolarHBondContact O-N 2.85Å; K710-G712 VanDerWaalsContact C-N 3.35Å |
| 713 | C | 87.8 | Confident | 81.2 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 136 | -173.4 | -58.3 | 0 | 0 | 0 | 0 | 113.6 | C690 H707 P708 G709 K715 C746 | C690-C713 WeakPolarHBondContact CA-SG 3.4Å; C690-C713 HydrophobicContact CB-CB 3.57Å; C690-C713 WeakPolarHBondContact CB-SG 3.21Å; C690-C713 WeakPolarHBondContact SG-CA 3.35Å; C690-C713 WeakPolarHBondContact SG-CB 3.06Å; C690-C713 CovalentContact SG-SG 2.03Å; C690-C713 PolarHBondContact SG-SG 2.96Å; H707-C713 PolarHBondContact O-N 2.98Å; P708-C713 CarbonylContact C-O 3.59Å; P708-C713 WeakPolarHBondContact CA-O 3.06Å; G709-C713 PolarHBondContact N-O 2.78Å; C713-K715 VanDerWaalsContact C-N 3.27Å; C713-K715 PolarHBondContact O-N 2.79Å; C713-C746 VanDerWaalsContact CB-SG 3.54Å; C713-C746 VanDerWaalsContact SG-SG 3.61Å |
| 714 | N | 80.9 | Confident | 79.3 | Confident | 21 Ų | 21 | 46.1 Ų | 46.1 | 11% | 0.112 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -77 | -14 | 170 | -79.4 | -32.8 | 0 | 0 | 0 | 112.9 | R693 P699 V700 | R693-N714 VanDerWaalsContact CZ-O 3.29Å; R693-N714 PolarHBondContact NE-O 3.38Å; R693-N714 PolarHBondContact NH2-O 3.18Å; R693-N714 VanDerWaalsContact NH2-O 3.16Å; P699-N714 WeakPolarHBondContact O-CB 3.01Å; P699-N714 PolarHBondContact O-ND2 3.45Å; V700-N714 PolarHBondContact O-N 3.23Å |
| 715 | K | 80.9 | Confident | 77.1 | Confident | 41 Ų | 41 | 49.1 Ų | 49.1 | 18% | 0.178 | 25% | 0.246 | C | C | . | . | trans | -156.3 | 133.4 | 171.3 | 171.9 | -176.1 | 175.1 | -177.8 | 0 | 110 | H691 R693 C713 E773 | H691-K715 HydrophobicContact CB-CB 4.38Å; H691-K715 HydrophobicContact CB-CD 3.99Å; H691-K715 HydrophobicContact CB-CG 4.14Å; H691-K715 PolarHBondContact N-O 2.89Å; R693-K715 HydrophobicContact CG-CB 4.09Å; C713-K715 VanDerWaalsContact C-N 3.27Å; C713-K715 PolarHBondContact O-N 2.79Å; K715-E773 HydrophobicContact CD-CB 3.9Å; K715-E773 HydrophobicContact CD-CG 3.89Å; K715-E773 WeakPolarHBondContact CD-OE1 3.25Å; K715-E773 IonicContact NZ-OE1 3.05Å; K715-E773 PolarHBondContact NZ-OE1 3.33Å; K715-E773 IonicContact NZ-OE2 2.73Å; K715-E773 PolarHBondContact NZ-OE2 2.87Å | ||
| 716 | C | 84.9 | Confident | 75 | Confident | 6 Ų | 6 | 53.1 Ų | 53.1 | 4% | 0.041 | 26% | 0.263 | C | S | . | . | trans | -90.1 | 168 | 168 | -48.4 | 0 | 0 | 0 | 0 | 111.5 | K718 F719 C746 | C716-K718 WeakPolarHBondContact CB-O 3.38Å; C716-F719 HydrophobicContact CB-CD1 4.17Å; C716-F719 HydrophobicContact CB-CE1 3.9Å; C716-F719 HydrophobicContact CB-CZ 4.14Å; C716-F719 VanDerWaalsContact SG-CD1 3.55Å; C716-F719 WeakPolarHBondContact SG-CE1 3.48Å; C716-C746 VanDerWaalsContact CA-SG 3.58Å; C716-C746 HydrophobicContact CB-CB 3.54Å; C716-C746 WeakPolarHBondContact CB-SG 3.27Å; C716-C746 WeakPolarHBondContact SG-CA 3.04Å; C716-C746 WeakPolarHBondContact SG-CB 3.39Å; C716-C746 CovalentContact SG-SG 2.03Å; C716-C746 PolarHBondContact SG-SG 2.85Å | ||
| 717 | E | 82.5 | Confident | 72.7 | Confident | 76 Ų | 76 | 54.4 Ų | 54.4 | 36% | 0.355 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -80.6 | -55 | 160.2 | -176.4 | -170.7 | 99.4 | 0 | 0 | 110.7 | V747 R748 G749 | E717-V747 WeakPolarHBondContact CB-O 3.46Å; E717-R748 WeakPolarHBondContact OE1-CA 3.36Å; E717-R748 VanDerWaalsContact OE2-CG 3.24Å; E717-R748 WeakPolarHBondContact OE2-CG 3.49Å; E717-R748 IonicContact OE2-NE 2.77Å; E717-G749 PolarHBondContact OE1-N 2.95Å |
| 718 | K | 85.8 | Confident | 70 | Confident | 29 Ų | 29 | 56.8 Ų | 56.8 | 13% | 0.126 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 159.3 | 173.4 | -49.5 | -171.6 | -174.7 | 170 | 0 | 110.8 | C716 C746 V747 G749 A780 | C716-K718 WeakPolarHBondContact CB-O 3.38Å; K718-C746 WeakPolarHBondContact O-CA 3.18Å; K718-V747 HydrophobicContact CB-CB 4.41Å; K718-V747 PolarHBondContact N-O 3.42Å; K718-V747 PolarHBondContact O-N 3.28Å; K718-G749 VanDerWaalsContact CD-O 3.28Å; K718-G749 WeakPolarHBondContact CD-O 3.26Å; K718-G749 WeakPolarHBondContact CE-O 3.49Å; K718-G749 PolarHBondContact NZ-O 2.77Å; K718-A780 WeakPolarHBondContact CA-O 3.36Å; K718-A780 HydrophobicContact CB-CB 4.2Å; K718-A780 HydrophobicContact CD-CB 4.29Å; K718-A780 HydrophobicContact CG-CB 3.82Å |
| 719 | F | 86 | Confident | 67.5 | Low | 5 Ų | 5 | 64 Ų | 64 | 2% | 0.022 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 132.3 | 176.1 | -57.3 | -88 | 0 | 0 | 0 | 111 | P708 C716 L744 L745 F768 A772 A779 A780 V781 C782 | P708-F719 HydrophobicContact CB-CE1 4.15Å; P708-F719 HydrophobicContact CG-CD1 4.23Å; P708-F719 HydrophobicContact CG-CE1 4.01Å; C716-F719 HydrophobicContact CB-CD1 4.17Å; C716-F719 HydrophobicContact CB-CE1 3.9Å; C716-F719 HydrophobicContact CB-CZ 4.14Å; C716-F719 VanDerWaalsContact SG-CD1 3.55Å; C716-F719 WeakPolarHBondContact SG-CE1 3.48Å; F719-L744 HydrophobicContact CB-CD2 4.36Å; F719-L744 HydrophobicContact CD1-CB 4.38Å; F719-L744 HydrophobicContact CD1-CD1 3.88Å; F719-L744 HydrophobicContact CE1-CD1 4.46Å; F719-L744 HydrophobicContact CG-CD1 4.42Å; F719-L745 CarbonylContact C-O 3.49Å; F719-L745 VanDerWaalsContact CA-O 3.32Å; F719-L745 WeakPolarHBondContact CA-O 3.42Å; F719-F768 HydrophobicContact CB-CD1 4.16Å; F719-F768 HydrophobicContact CB-CE1 3.9Å; F719-F768 HydrophobicContact CD1-CD1 4.38Å; F719-F768 AromaticContact CD2-CD1 3.91Å; F719-F768 HydrophobicContact CD2-CD1 3.91Å; F719-F768 HydrophobicContact CD2-CE1 4.43Å; F719-F768 HydrophobicContact CE2-CD1 4.41Å; F719-F768 AromaticContact CG-CD1 3.9Å; F719-F768 HydrophobicContact CG-CD1 3.9Å; F719-F768 HydrophobicContact CG-CE1 4.17Å; F719-A772 HydrophobicContact CE2-CB 4.07Å; F719-A772 HydrophobicContact CZ-CB 4.1Å; F719-A779 HydrophobicContact CD2-CB 3.92Å; F719-A779 HydrophobicContact CE2-CB 3.86Å; F719-A780 PolarHBondContact N-O 3.35Å; F719-V781 CarbonylContact O-C 3.56Å; F719-V781 VanDerWaalsContact O-CA 3.29Å; F719-V781 WeakPolarHBondContact O-CA 3.46Å; F719-C782 PolarHBondContact O-N 2.85Å |
| 720 | I | 85.1 | Confident | 65.4 | Low | 25 Ų | 25 | 69.5 Ų | 69.5 | 13% | 0.128 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 134.4 | 159.9 | -56.9 | 161.6 | 0 | 0 | 0 | 108.2 | Q722 L744 L745 V747 P752 C782 | I720-Q722 HydrophobicContact CG2-CG 4.16Å; I720-L744 WeakPolarHBondContact O-CA 3.2Å; I720-L744 VanDerWaalsContact O-CD2 3.25Å; I720-L744 WeakPolarHBondContact O-CD2 3.42Å; I720-L745 HydrophobicContact CB-CB 4.32Å; I720-L745 HydrophobicContact CD1-CB 4.1Å; I720-L745 HydrophobicContact CD1-CD1 4.29Å; I720-L745 PolarHBondContact N-O 3.45Å; I720-L745 PolarHBondContact O-N 2.92Å; I720-V747 HydrophobicContact CD1-CG2 3.41Å; I720-V747 VanDerWaalsContact CD1-CG2 3.41Å; I720-V747 HydrophobicContact CG1-CG2 3.51Å; I720-P752 HydrophobicContact CD1-CG 3.72Å; I720-P752 HydrophobicContact CG1-CG 4.04Å; I720-C782 HydrophobicContact CG1-CB 4.29Å |
| 721 | V | 76.1 | Confident | 63.2 | Low | 17 Ų | 17 | 69.8 Ų | 69.8 | 10% | 0.103 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 108.8 | 163.8 | 163.6 | 0 | 0 | 0 | 0 | 109.1 | I742 L744 F768 V781 C782 R783 | V721-I742 HydrophobicContact CG1-CG2 3.87Å; V721-L744 HydrophobicContact CG2-CD2 3.78Å; V721-F768 HydrophobicContact CG2-CE1 4.05Å; V721-F768 HydrophobicContact CG2-CZ 3.58Å; V721-V781 HydrophobicContact CB-CG1 4.3Å; V721-V781 HydrophobicContact CG2-CG1 3.49Å; V721-V781 VanDerWaalsContact CG2-CG1 3.49Å; V721-C782 PolarHBondContact N-O 3.49Å; V721-R783 HydrophobicContact CB-CG 4.4Å |
| 722 | Q | 67 | Low | 60.8 | Low | 89 Ų | 89 | 76.3 Ų | 76.3 | 42% | 0.416 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 102.1 | 166.9 | -70.2 | -176.7 | -67.6 | 0 | 0 | 108.6 | I720 S743 L745 | I720-Q722 HydrophobicContact CG2-CG 4.16Å; Q722-S743 WeakPolarHBondContact CB-OG 3.5Å; Q722-S743 PolarHBondContact N-O 2.9Å; Q722-S743 PolarHBondContact O-N 2.85Å; Q722-L745 VanDerWaalsContact OE1-CD1 3.23Å |
| 723 | S | 53.6 | Low | 58.2 | Low | 43 Ų | 43 | 80.9 Ų | 80.9 | 30% | 0.301 | 42% | 0.421 | S | S | . | . | trans | -79.4 | 140.5 | 171.1 | 52.2 | 0 | 0 | 0 | 0 | 110.8 | F725 | S723-F725 PolarHBondContact O-N 3.48Å; S723-F725 VanDerWaalsContact O-N 3.12Å | ||
| 724 | P | 44.5 | Very low | 55.8 | Low | 65 Ų | 65 | 87.5 Ų | 87.5 | 42% | 0.422 | 46% | 0.457 | S | S | . | . | G | 310 helix | trans | -56.9 | -27.8 | 178.8 | -28 | 36.1 | 0 | 0 | 0 | 115 | N726 Q727 | P724-N726 PolarHBondContact O-N 2.86Å; P724-Q727 PolarHBondContact O-N 3.22Å |
| 725 | F | 39.4 | Very low | 53.9 | Low | 138 Ų | 138 | 92 Ų | 92 | 61% | 0.605 | 48% | 0.48 | S | S | * | . | G | 310 helix | trans | -72.8 | 10.1 | -172.9 | -78.6 | -83.2 | 0 | 0 | 0 | 116.9 | S723 M728 | S723-F725 PolarHBondContact O-N 3.48Å; S723-F725 VanDerWaalsContact O-N 3.12Å; F725-M728 HydrophobicContact CD1-CE 4.12Å; F725-M728 HydrophobicContact CD1-SD 4.15Å; F725-M728 HydrophobicContact CE1-CE 3.66Å; F725-M728 HydrophobicContact CE1-SD 4.19Å |
| 726 | N | 39.3 | Very low | 51.7 | Low | 101 Ų | 101 | 94.1 Ų | 94.1 | 54% | 0.54 | 51% | 0.506 | S | S | . | . | G | 310 helix | trans | -97.5 | 9.7 | 170.1 | -84.8 | 1 | 0 | 0 | 0 | 113.6 | P724 | P724-N726 PolarHBondContact O-N 2.86Š|
| 727 | Q | 36.2 | Very low | 49.4 | Very low | 184 Ų | 184 | 99.3 Ų | 99.3 | 86% | 0.86 | 54% | 0.542 | S | S | * | . | trans | -134.5 | 65.8 | 171.9 | -71.3 | -172.5 | -34.2 | 0 | 0 | 111.6 | P724 | P724-Q727 PolarHBondContact O-N 3.22Š| ||
| 728 | M | 27.4 | Very low | 47.1 | Very low | 124 Ų | 124 | 98.4 Ų | 98.4 | 61% | 0.611 | 54% | 0.544 | S | S | * | . | trans | -108.2 | 102.6 | 162.3 | -83.8 | -173.5 | 166.7 | 0 | 0 | 110.2 | F725 | F725-M728 HydrophobicContact CD1-CE 4.12Å; F725-M728 HydrophobicContact CD1-SD 4.15Å; F725-M728 HydrophobicContact CE1-CE 3.66Å; F725-M728 HydrophobicContact CE1-SD 4.19Å | ||
| 729 | N | 31.3 | Very low | 44.5 | Very low | 155 Ų | 155 | 102.4 Ų | 102.4 | 83% | 0.829 | 57% | 0.566 | S | S | * | * | trans | -158.2 | 148.6 | 154.7 | -101.4 | -30 | 0 | 0 | 0 | 107.4 | ||||
| 730 | T | 34.7 | Very low | 42.2 | Very low | 129 Ų | 129 | 108.1 Ų | 108.1 | 79% | 0.791 | 60% | 0.602 | S | S | * | * | S | Bend | trans | 60.7 | 115.2 | -175.3 | 47.5 | 0 | 0 | 0 | 0 | 117.2 | ||
| 731 | E | 33.4 | Very low | 40.3 | Very low | 191 Ų | 191 | 112.3 Ų | 112.3 | 89% | 0.893 | 63% | 0.628 | S | S | * | * | trans | 72.9 | 115.7 | 156.1 | -63.6 | 175.5 | -164 | 0 | 0 | 118.5 | ||||
| 732 | I | 33.1 | Very low | 39.4 | Very low | 163 Ų | 163 | 115.1 Ų | 115.1 | 84% | 0.836 | 64% | 0.642 | S | S | * | * | trans | -129.9 | 114.9 | -171.4 | -61.9 | 170.2 | 0 | 0 | 0 | 108.7 | ||||
| 733 | S | 32.8 | Very low | 39.4 | Very low | 97 Ų | 97 | 113.7 Ų | 113.7 | 68% | 0.678 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -156.1 | -47.5 | 156.9 | 59.5 | 0 | 0 | 0 | 0 | 111.3 | ||
| 734 | D | 36.9 | Very low | 40.6 | Very low | 139 Ų | 139 | 112.2 Ų | 112.2 | 74% | 0.743 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -99.5 | 0.9 | -162.6 | -57.9 | -3.8 | 0 | 0 | 0 | 114.1 | A736 | D734-A736 VanDerWaalsContact C-N 3.28Å; D734-A736 PolarHBondContact O-N 3.32Å |
| 735 | L | 41 | Very low | 42.5 | Very low | 114 Ų | 114 | 111.7 Ų | 111.7 | 60% | 0.597 | 62% | 0.624 | S | S | * | * | G | 310 helix | trans | -81.9 | 4.9 | -164 | -146.4 | 73.3 | 0 | 0 | 0 | 115.4 | S737 S738 | L735-S737 PolarHBondContact O-N 2.79Å; L735-S737 VanDerWaalsContact O-N 3.14Å; L735-S738 PolarHBondContact O-N 2.95Å; L735-S738 PolarHBondContact O-OG 3.05Å |
| 736 | A | 35.3 | Very low | 44.8 | Very low | 87 Ų | 87 | 105.5 Ų | 105.5 | 72% | 0.719 | 60% | 0.598 | S | S | * | * | G | 310 helix | trans | -65.7 | -12.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | D734 | D734-A736 VanDerWaalsContact C-N 3.28Å; D734-A736 PolarHBondContact O-N 3.32Å |
| 737 | S | 36.2 | Very low | 46.9 | Very low | 115 Ų | 115 | 101.9 Ų | 101.9 | 80% | 0.804 | 58% | 0.579 | S | S | * | * | G | 310 helix | trans | -98.2 | 4.7 | 179.6 | 55.8 | 0 | 0 | 0 | 0 | 114.4 | L735 | L735-S737 PolarHBondContact O-N 2.79Å; L735-S737 VanDerWaalsContact O-N 3.14Å |
| 738 | S | 34.2 | Very low | 49 | Very low | 56 Ų | 56 | 100.2 Ų | 100.2 | 39% | 0.392 | 57% | 0.565 | S | S | . | * | trans | -98.4 | -2.8 | -170.4 | 71.1 | 0 | 0 | 0 | 0 | 116 | L735 T740 | L735-S738 PolarHBondContact O-N 2.95Å; L735-S738 PolarHBondContact O-OG 3.05Å; S738-T740 PolarHBondContact O-N 2.94Å | ||
| 739 | L | 31.8 | Very low | 51.6 | Low | 113 Ų | 113 | 95.9 Ų | 95.9 | 59% | 0.592 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69 | 115 | 179.8 | -80 | 79.5 | 0 | 0 | 0 | 110.8 | ||
| 740 | T | 37.3 | Very low | 54 | Low | 126 Ų | 126 | 95.3 Ų | 95.3 | 77% | 0.773 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 153.3 | -12.1 | 137.2 | 45.9 | 0 | 0 | 0 | 0 | 113.9 | S738 I742 | S738-T740 PolarHBondContact O-N 2.94Å; T740-I742 PolarHBondContact O-N 3.39Å |
| 741 | T | 45.1 | Very low | 56.2 | Low | 113 Ų | 113 | 90.5 Ų | 90.5 | 69% | 0.693 | 52% | 0.52 | S | S | * | . | trans | -76.1 | 64.5 | -178.1 | 38.6 | 0 | 0 | 0 | 0 | 114 | S743 | T741-S743 PolarHBondContact O-N 2.88Š| ||
| 742 | I | 56.9 | Low | 58.5 | Low | 76 Ų | 76 | 83.4 Ų | 83.4 | 39% | 0.39 | 49% | 0.491 | S | S | . | . | trans | -55.3 | 126.7 | 159.5 | -60.9 | 171.2 | 0 | 0 | 0 | 107.9 | V721 T740 L767 | V721-I742 HydrophobicContact CG1-CG2 3.87Å; T740-I742 PolarHBondContact O-N 3.39Å; I742-L767 HydrophobicContact CB-CD2 3.72Å; I742-L767 HydrophobicContact CG2-CD2 3.48Å; I742-L767 VanDerWaalsContact CG2-CD2 3.48Å; I742-L767 VanDerWaalsContact O-CD2 3.28Å; I742-L767 WeakPolarHBondContact O-CD2 3.48Å | ||
| 743 | S | 67.5 | Low | 60.7 | Low | 58 Ų | 58 | 82 Ų | 82 | 41% | 0.406 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 146.3 | 178.9 | 33.7 | 0 | 0 | 0 | 0 | 111.1 | Q722 T741 | Q722-S743 WeakPolarHBondContact CB-OG 3.5Å; Q722-S743 PolarHBondContact N-O 2.9Å; Q722-S743 PolarHBondContact O-N 2.85Å; T741-S743 PolarHBondContact O-N 2.88Å |
| 744 | L | 79 | Confident | 63 | Low | 12 Ų | 12 | 78.8 Ų | 78.8 | 6% | 0.063 | 48% | 0.475 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 136.9 | 177.4 | -63.8 | -175.1 | 0 | 0 | 0 | 111.8 | H707 P708 F719 I720 V721 L767 F768 Y771 | H707-L744 VanDerWaalsContact CB-O 3.28Å; H707-L744 WeakPolarHBondContact CB-O 3.05Å; P708-L744 VanDerWaalsContact CD-O 3.23Å; P708-L744 WeakPolarHBondContact CD-O 3.04Å; P708-L744 HydrophobicContact CG-CB 3.97Å; P708-L744 HydrophobicContact CG-CD1 4.49Å; F719-L744 HydrophobicContact CB-CD2 4.36Å; F719-L744 HydrophobicContact CD1-CB 4.38Å; F719-L744 HydrophobicContact CD1-CD1 3.88Å; F719-L744 HydrophobicContact CE1-CD1 4.46Å; F719-L744 HydrophobicContact CG-CD1 4.42Å; I720-L744 WeakPolarHBondContact O-CA 3.2Å; I720-L744 VanDerWaalsContact O-CD2 3.25Å; I720-L744 WeakPolarHBondContact O-CD2 3.42Å; V721-L744 HydrophobicContact CG2-CD2 3.78Å; L744-L767 HydrophobicContact CD1-CB 4.45Å; L744-L767 HydrophobicContact CD1-CD2 3.91Å; L744-L767 HydrophobicContact CD1-CG 3.76Å; L744-L767 HydrophobicContact CD2-CD2 3.82Å; L744-L767 HydrophobicContact CG-CD2 3.53Å; L744-L767 HydrophobicContact CG-CG 3.94Å; L744-F768 HydrophobicContact CD1-CD1 3.64Å; L744-F768 HydrophobicContact CD1-CE1 3.76Å; L744-F768 HydrophobicContact CD2-CD1 4.37Å; L744-F768 HydrophobicContact CD2-CE1 3.63Å; L744-F768 HydrophobicContact CD2-CZ 4.28Å; L744-F768 HydrophobicContact CG-CE1 4.39Å; L744-Y771 HydrophobicContact CD1-CD2 3.73Å; L744-Y771 HydrophobicContact CD1-CE2 4.04Å |
| 745 | L | 84.8 | Confident | 65.4 | Low | 54 Ų | 54 | 73.4 Ų | 73.4 | 28% | 0.283 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 139.2 | 171.6 | -72.6 | 167.4 | 0 | 0 | 0 | 110.3 | R706 F719 I720 Q722 | R706-L745 HydrophobicContact CB-CD2 4.47Å; F719-L745 CarbonylContact C-O 3.49Å; F719-L745 VanDerWaalsContact CA-O 3.32Å; F719-L745 WeakPolarHBondContact CA-O 3.42Å; I720-L745 HydrophobicContact CB-CB 4.32Å; I720-L745 HydrophobicContact CD1-CB 4.1Å; I720-L745 HydrophobicContact CD1-CD1 4.29Å; I720-L745 PolarHBondContact N-O 3.45Å; I720-L745 PolarHBondContact O-N 2.92Å; Q722-L745 VanDerWaalsContact OE1-CD1 3.23Å |
| 746 | C | 86.1 | Confident | 67.5 | Low | 9 Ų | 9 | 69.7 Ų | 69.7 | 6% | 0.061 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 127.9 | 170.3 | -65.5 | 0 | 0 | 0 | 0 | 110.7 | R706 C713 C716 K718 | R706-C746 VanDerWaalsContact O-CB 3.32Å; R706-C746 WeakPolarHBondContact O-CB 3.31Å; R706-C746 PolarHBondContact O-N 2.8Å; C713-C746 VanDerWaalsContact CB-SG 3.54Å; C713-C746 VanDerWaalsContact SG-SG 3.61Å; C716-C746 VanDerWaalsContact CA-SG 3.58Å; C716-C746 HydrophobicContact CB-CB 3.54Å; C716-C746 WeakPolarHBondContact CB-SG 3.27Å; C716-C746 WeakPolarHBondContact SG-CA 3.04Å; C716-C746 WeakPolarHBondContact SG-CB 3.39Å; C716-C746 CovalentContact SG-SG 2.03Å; C716-C746 PolarHBondContact SG-SG 2.85Å; K718-C746 WeakPolarHBondContact O-CA 3.18Å |
| 747 | V | 84.3 | Confident | 69.8 | Low | 25 Ų | 25 | 70.1 Ų | 70.1 | 15% | 0.152 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 153 | 170.8 | 173.5 | 0 | 0 | 0 | 0 | 109.6 | E717 K718 I720 | E717-V747 WeakPolarHBondContact CB-O 3.46Å; K718-V747 HydrophobicContact CB-CB 4.41Å; K718-V747 PolarHBondContact N-O 3.42Å; K718-V747 PolarHBondContact O-N 3.28Å; I720-V747 HydrophobicContact CD1-CG2 3.41Å; I720-V747 VanDerWaalsContact CD1-CG2 3.41Å; I720-V747 HydrophobicContact CG1-CG2 3.51Å |
| 748 | R | 81.1 | Confident | 72 | Confident | 148 Ų | 148 | 66.6 Ų | 66.6 | 56% | 0.558 | 39% | 0.389 | S | S | * | . | trans | -128.8 | 136.3 | 173 | -164.7 | -172.5 | 176.2 | 141.6 | -0.9 | 107.8 | T688 H689 E717 | T688-R748 PolarHBondContact O-NH1 2.77Å; H689-R748 HydrophobicContact CB-CB 4.09Å; E717-R748 WeakPolarHBondContact OE1-CA 3.36Å; E717-R748 VanDerWaalsContact OE2-CG 3.24Å; E717-R748 WeakPolarHBondContact OE2-CG 3.49Å; E717-R748 IonicContact OE2-NE 2.77Å | ||
| 749 | G | 81.2 | Confident | 74.1 | Confident | 34 Ų | 34 | 68.4 Ų | 68.4 | 35% | 0.351 | 40% | 0.398 | S | S | . | . | S | Bend | trans | 82 | -156.8 | -170.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | E717 K718 | E717-G749 PolarHBondContact OE1-N 2.95Å; K718-G749 VanDerWaalsContact CD-O 3.28Å; K718-G749 WeakPolarHBondContact CD-O 3.26Å; K718-G749 WeakPolarHBondContact CE-O 3.49Å; K718-G749 PolarHBondContact NZ-O 2.77Å |
| 750 | D | 80.9 | Confident | 76 | Confident | 143 Ų | 143 | 64.4 Ų | 64.4 | 77% | 0.765 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -69 | 161.2 | -171.6 | -67.1 | -45.3 | 0 | 0 | 0 | 114.9 | ||
| 751 | C | 82.5 | Confident | 77.5 | Confident | 27 Ų | 27 | 61 Ų | 61 | 18% | 0.182 | 36% | 0.355 | C | S | . | . | P | Polyproline II helix | trans | -69.9 | 141.7 | 177.3 | -78 | 0 | 0 | 0 | 0 | 111 | C782 | C751-C782 WeakPolarHBondContact CA-SG 3.44Å; C751-C782 HydrophobicContact CB-CB 3.7Å; C751-C782 WeakPolarHBondContact CB-SG 3.5Å; C751-C782 VanDerWaalsContact SG-CA 3.52Å; C751-C782 WeakPolarHBondContact SG-CB 3.45Å; C751-C782 CovalentContact SG-SG 2.04Å; C751-C782 PolarHBondContact SG-SG 3.38Å |
| 752 | P | 81.8 | Confident | 78.5 | Confident | 42 Ų | 42 | 55.7 Ų | 55.7 | 27% | 0.273 | 32% | 0.322 | S | S | . | . | P | Polyproline II helix | trans | -58.1 | 147.5 | 179.3 | -24.3 | 32.5 | 0 | 0 | 0 | 113.3 | I720 T755 | I720-P752 HydrophobicContact CD1-CG 3.72Å; I720-P752 HydrophobicContact CG1-CG 4.04Å; P752-T755 WeakPolarHBondContact CD-OG1 3.41Å; P752-T755 WeakPolarHBondContact O-CB 3.38Å; P752-T755 PolarHBondContact O-N 2.92Å; P752-T755 PolarHBondContact O-OG1 2.84Å |
| 753 | P | 78.8 | Confident | 78.7 | Confident | 134 Ų | 134 | 53 Ų | 53 | 87% | 0.87 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.7 | 143 | 167.9 | -26.1 | 35.1 | 0 | 0 | 0 | 112 | ||
| 754 | G | 81.5 | Confident | 78.1 | Confident | 30 Ų | 30 | 52.3 Ų | 52.3 | 31% | 0.309 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.4 | -4.2 | -169.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | C785 P790 | G754-C785 PolarHBondContact O-N 2.85Å; G754-P790 WeakPolarHBondContact CA-O 2.94Å; G754-P790 PolarHBondContact N-O 2.86Å |
| 755 | T | 85.9 | Confident | 77.1 | Confident | 26 Ų | 26 | 55.2 Ų | 55.2 | 16% | 0.16 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 152.9 | 171.2 | 71.4 | 0 | 0 | 0 | 0 | 111.5 | P752 R783 | P752-T755 WeakPolarHBondContact CD-OG1 3.41Å; P752-T755 WeakPolarHBondContact O-CB 3.38Å; P752-T755 PolarHBondContact O-N 2.92Å; P752-T755 PolarHBondContact O-OG1 2.84Å; T755-R783 CarbonylContact C-O 3.5Å; T755-R783 WeakPolarHBondContact CA-O 3.38Å; T755-R783 VanDerWaalsContact CB-O 3.24Å; T755-R783 WeakPolarHBondContact CB-O 3.5Å |
| 756 | Y | 85.7 | Confident | 76.2 | Confident | 36 Ų | 36 | 54 Ų | 54 | 14% | 0.141 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 147 | 171.7 | 68.1 | -77.5 | 0 | 0 | 0 | 110.3 | T758 C782 R783 S784 C792 T793 Y795 | Y756-T758 PolarHBondContact O-N 2.82Å; Y756-C782 WeakPolarHBondContact O-CA 3.33Å; Y756-R783 HydrophobicContact CD1-CB 4.4Å; Y756-R783 WeakPolarHBondContact CD1-O 3.49Å; Y756-R783 HydrophobicContact CE1-CB 3.83Å; Y756-R783 PolarHBondContact N-O 3.34Å; Y756-R783 PolarHBondContact O-N 2.04Å; Y756-S784 WeakPolarHBondContact CE1-O 3.43Å; Y756-C792 WeakPolarHBondContact CB-O 3.32Å; Y756-C792 WeakPolarHBondContact CD1-SG 3.45Å; Y756-T793 WeakPolarHBondContact CD2-O 3.32Å; Y756-Y795 PolarHBondContact OH-N 3.13Å |
| 757 | L | 84.4 | Confident | 75.5 | Confident | 96 Ų | 96 | 56.6 Ų | 56.6 | 50% | 0.503 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 120.6 | 174.1 | 178.6 | 61.6 | 0 | 0 | 0 | 109.6 | A780 | L757-A780 HydrophobicContact CD1-CB 4.08Å |
| 758 | T | 81.2 | Confident | 75.1 | Confident | 41 Ų | 41 | 55.7 Ų | 55.7 | 25% | 0.252 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 153.9 | 164.5 | -176.1 | 0 | 0 | 0 | 0 | 109.8 | Y756 E760 V781 R783 | Y756-T758 PolarHBondContact O-N 2.82Å; T758-E760 HydrophobicContact CG2-CG 4.1Å; T758-V781 HydrophobicContact CG2-CB 4.17Å; T758-V781 WeakPolarHBondContact CG2-O 3.36Å; T758-V781 PolarHBondContact N-O 3.5Å; T758-V781 PolarHBondContact O-N 3.26Å; T758-R783 HydrophobicContact CG2-CB 4.25Å; T758-R783 HydrophobicContact CG2-CG 3.82Å |
| 759 | T | 79.3 | Confident | 74.6 | Confident | 94 Ų | 94 | 49.9 Ų | 49.9 | 58% | 0.577 | 30% | 0.303 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 97.7 | 168.4 | 52.8 | 0 | 0 | 0 | 0 | 108.5 | V761 A779 | T759-V761 PolarHBondContact O-N 3.39Å; T759-V761 VanDerWaalsContact O-N 3.17Å; T759-A779 WeakPolarHBondContact CA-O 3.48Å |
| 760 | E | 71.7 | Confident | 74.2 | Confident | 28 Ų | 28 | 55.7 Ų | 55.7 | 13% | 0.131 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 111.8 | 168.6 | -64.4 | -160.6 | -130.6 | 0 | 0 | 108 | T758 V762 F768 V778 A779 V781 R783 | T758-E760 HydrophobicContact CG2-CG 4.1Å; E760-V762 PolarHBondContact O-N 3.34Å; E760-F768 HydrophobicContact CB-CD2 4.35Å; E760-F768 HydrophobicContact CB-CE2 4.08Å; E760-F768 HydrophobicContact CG-CE2 4.26Å; E760-F768 WeakPolarHBondContact OE1-CZ 3.34Å; E760-F768 WeakPolarHBondContact OE2-CE2 3.24Å; E760-V778 WeakPolarHBondContact O-CA 3.41Å; E760-A779 PolarHBondContact N-O 3.03Å; E760-A779 PolarHBondContact O-N 2.95Å; E760-V781 HydrophobicContact CB-CG2 3.8Å; E760-V781 HydrophobicContact CG-CB 4.03Å; E760-V781 HydrophobicContact CG-CG2 3.82Å; E760-V781 WeakPolarHBondContact OE1-CG1 3.42Å; E760-R783 IonicContact OE1-CZ 3.46Å; E760-R783 VanDerWaalsContact OE1-CZ 3.3Å; E760-R783 IonicContact OE1-NE 3.31Å; E760-R783 PolarHBondContact OE1-NE 3.04Å; E760-R783 IonicContact OE1-NH2 3Å; E760-R783 PolarHBondContact OE1-NH2 3.47Å; E760-R783 IonicContact OE2-CZ 3.82Å; E760-R783 IonicContact OE2-NE 3.56Å; E760-R783 IonicContact OE2-NH2 3.7Å; E760-R783 PolarHBondContact OE2-NH2 2.89Å |
| 761 | V | 67.8 | Low | 74 | Confident | 56 Ų | 56 | 50.7 Ų | 50.7 | 34% | 0.339 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.1 | 141.1 | 165.4 | -173.7 | 0 | 0 | 0 | 0 | 107.2 | T759 V778 F1871 | T759-V761 PolarHBondContact O-N 3.39Å; T759-V761 VanDerWaalsContact O-N 3.17Å; V761-V778 HydrophobicContact CB-CG1 4.33Å; V761-V778 HydrophobicContact CG2-CG1 3.94Å; V761-F1871 HydrophobicContact CB-CE1 4.34Å; V761-F1871 HydrophobicContact CB-CE2 3.67Å; V761-F1871 HydrophobicContact CB-CZ 3.44Å; V761-F1871 VanDerWaalsContact CB-CZ 3.44Å; V761-F1871 HydrophobicContact CG1-CD2 4.11Å; V761-F1871 HydrophobicContact CG1-CE1 4.36Å; V761-F1871 HydrophobicContact CG1-CE2 3.42Å; V761-F1871 VanDerWaalsContact CG1-CE2 3.42Å; V761-F1871 HydrophobicContact CG1-CZ 3.62Å; V761-F1871 WeakPolarHBondContact O-CE2 3.07Å; V761-F1871 WeakPolarHBondContact O-CZ 3.08Å |
| 762 | V | 66.9 | Low | 73.4 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 28% | 0.283 | C | S | . | . | trans | -101.4 | 102.9 | -159 | 112.3 | 0 | 0 | 0 | 0 | 112.6 | E760 F768 A772 T776 S777 A779 L1878 | E760-V762 PolarHBondContact O-N 3.34Å; V762-F768 HydrophobicContact CG2-CB 3.76Å; V762-A772 HydrophobicContact CG2-CB 4.16Å; V762-T776 WeakPolarHBondContact CG1-O 3.48Å; V762-S777 PolarHBondContact N-O 3.34Å; V762-A779 HydrophobicContact CG2-CB 3.68Å; V762-L1878 HydrophobicContact CG1-CD1 3.33Å | ||
| 763 | Q | 59.8 | Low | 72.6 | Confident | 20 Ų | 20 | 48 Ų | 48 | 9% | 0.093 | 27% | 0.271 | C | S | . | . | trans | -79.5 | 143.4 | -177.9 | -56 | -102.4 | 0 | 0 | 0 | 111.3 | N765 T766 A769 P1870 F1871 | Q763-N765 WeakPolarHBondContact CB-OD1 3.01Å; Q763-N765 WeakPolarHBondContact CG-OD1 3.32Å; Q763-N765 PolarHBondContact O-N 3.37Å; Q763-N765 PolarHBondContact OE1-OD1 2.89Å; Q763-T766 HydrophobicContact CB-CG2 3.49Å; Q763-T766 VanDerWaalsContact CB-CG2 3.49Å; Q763-T766 HydrophobicContact CG-CG2 3.39Å; Q763-T766 PolarHBondContact N-OG1 2.93Å; Q763-T766 PolarHBondContact O-N 3.26Å; Q763-T766 PolarHBondContact O-OG1 3.23Å; Q763-A769 WeakPolarHBondContact O-CB 3.25Å; Q763-P1870 CarbonylContact C-O 3.47Å; Q763-P1870 VanDerWaalsContact CB-O 3.28Å; Q763-P1870 WeakPolarHBondContact CB-O 3.14Å; Q763-P1870 PolarHBondContact OE1-O 3.39Å; Q763-F1871 HydrophobicContact CB-CD2 3.89Å; Q763-F1871 HydrophobicContact CB-CE2 3.97Å; Q763-F1871 VanDerWaalsContact CD-CD1 3.45Å; Q763-F1871 VanDerWaalsContact CD-CD2 3.48Å; Q763-F1871 HydrophobicContact CG-CD1 4.27Å; Q763-F1871 HydrophobicContact CG-CD2 3.52Å; Q763-F1871 HydrophobicContact CG-CE1 4.17Å; Q763-F1871 HydrophobicContact CG-CE2 3.33Å; Q763-F1871 HydrophobicContact CG-CG 3.9Å; Q763-F1871 HydrophobicContact CG-CZ 3.65Å; Q763-F1871 VanDerWaalsContact OE1-CG 3.29Å | ||
| 764 | P | 55.7 | Low | 71.7 | Confident | 43 Ų | 43 | 42.2 Ų | 42.2 | 28% | 0.279 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -43.2 | -34.9 | 151.5 | -27.3 | 24 | 0 | 0 | 0 | 117.1 | A769 P1870 F1871 N1873 R1874 | P764-A769 WeakPolarHBondContact O-CB 3.42Å; P764-P1870 WeakPolarHBondContact CA-O 3.26Å; P764-P1870 HydrophobicContact CB-CB 3.89Å; P764-P1870 VanDerWaalsContact CB-O 3.24Å; P764-P1870 WeakPolarHBondContact CB-O 3.12Å; P764-P1870 VanDerWaalsContact CD-C 3.44Å; P764-P1870 WeakPolarHBondContact CD-O 3.09Å; P764-P1870 HydrophobicContact CG-CB 4.4Å; P764-P1870 WeakPolarHBondContact CG-O 3.32Å; P764-F1871 WeakPolarHBondContact CD-O 3.45Å; P764-N1873 HydrophobicContact CG-CB 4.08Å; P764-R1874 HydrophobicContact CB-CB 4.47Å; P764-R1874 HydrophobicContact CG-CB 3.64Å |
| 765 | N | 58.6 | Low | 70.7 | Confident | 74 Ų | 74 | 42.1 Ų | 42.1 | 40% | 0.396 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -98.9 | -5.7 | 177.7 | 70.2 | -11.1 | 0 | 0 | 0 | 114.9 | Q763 P1870 | Q763-N765 WeakPolarHBondContact CB-OD1 3.01Å; Q763-N765 WeakPolarHBondContact CG-OD1 3.32Å; Q763-N765 PolarHBondContact O-N 3.37Å; Q763-N765 PolarHBondContact OE1-OD1 2.89Å; N765-P1870 HydrophobicContact CB-CB 3.77Å; N765-P1870 HydrophobicContact CB-CG 4.08Å; N765-P1870 PolarHBondContact N-O 3.12Å; N765-P1870 PolarHBondContact OD1-O 3.04Å |
| 766 | T | 65.2 | Low | 69.6 | Low | 27 Ų | 27 | 42.7 Ų | 42.7 | 17% | 0.166 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -63.8 | 154.5 | 174.7 | 47.2 | 0 | 0 | 0 | 0 | 110.3 | Q763 F768 A769 | Q763-T766 HydrophobicContact CB-CG2 3.49Å; Q763-T766 VanDerWaalsContact CB-CG2 3.49Å; Q763-T766 HydrophobicContact CG-CG2 3.39Å; Q763-T766 PolarHBondContact N-OG1 2.93Å; Q763-T766 PolarHBondContact O-N 3.26Å; Q763-T766 PolarHBondContact O-OG1 3.23Å; T766-F768 HydrophobicContact CG2-CD2 3.95Å; T766-F768 HydrophobicContact CG2-CE2 4.48Å; T766-F768 PolarHBondContact O-N 2.81Å; T766-F768 VanDerWaalsContact O-N 3.12Å; T766-A769 WeakPolarHBondContact O-CA 3.5Å; T766-A769 WeakPolarHBondContact O-CB 3.19Å; T766-A769 PolarHBondContact O-N 2.73Å; T766-A769 PolarHBondContact OG1-N 2.99Å |
| 767 | L | 70.8 | Confident | 68.3 | Low | 65 Ų | 65 | 43 Ų | 43 | 34% | 0.34 | 24% | 0.236 | S | C | . | . | G | 310 helix | trans | -52.5 | -33.9 | 165.4 | -170.7 | 63 | 0 | 0 | 0 | 112.6 | I742 L744 A769 Y771 | I742-L767 HydrophobicContact CB-CD2 3.72Å; I742-L767 HydrophobicContact CG2-CD2 3.48Å; I742-L767 VanDerWaalsContact CG2-CD2 3.48Å; I742-L767 VanDerWaalsContact O-CD2 3.28Å; I742-L767 WeakPolarHBondContact O-CD2 3.48Å; L744-L767 HydrophobicContact CD1-CB 4.45Å; L744-L767 HydrophobicContact CD1-CD2 3.91Å; L744-L767 HydrophobicContact CD1-CG 3.76Å; L744-L767 HydrophobicContact CD2-CD2 3.82Å; L744-L767 HydrophobicContact CG-CD2 3.53Å; L744-L767 HydrophobicContact CG-CG 3.94Å; L767-A769 PolarHBondContact O-N 2.83Å; L767-Y771 HydrophobicContact CD1-CE2 4.41Å; L767-Y771 HydrophobicContact CG-CE2 4.46Å; L767-Y771 WeakPolarHBondContact O-CD2 3.42Å; L767-Y771 WeakPolarHBondContact O-CE2 3.41Å |
| 768 | F | 75.5 | Confident | 67.8 | Low | 6 Ų | 6 | 41.5 Ų | 41.5 | 3% | 0.026 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -67.5 | -14.3 | 174.9 | -43.5 | -72.9 | 0 | 0 | 0 | 114 | F719 V721 L744 E760 V762 T766 K770 Y771 A772 A779 V781 R1874 | F719-F768 HydrophobicContact CB-CD1 4.16Å; F719-F768 HydrophobicContact CB-CE1 3.9Å; F719-F768 HydrophobicContact CD1-CD1 4.38Å; F719-F768 AromaticContact CD2-CD1 3.91Å; F719-F768 HydrophobicContact CD2-CD1 3.91Å; F719-F768 HydrophobicContact CD2-CE1 4.43Å; F719-F768 HydrophobicContact CE2-CD1 4.41Å; F719-F768 AromaticContact CG-CD1 3.9Å; F719-F768 HydrophobicContact CG-CD1 3.9Å; F719-F768 HydrophobicContact CG-CE1 4.17Å; V721-F768 HydrophobicContact CG2-CE1 4.05Å; V721-F768 HydrophobicContact CG2-CZ 3.58Å; L744-F768 HydrophobicContact CD1-CD1 3.64Å; L744-F768 HydrophobicContact CD1-CE1 3.76Å; L744-F768 HydrophobicContact CD2-CD1 4.37Å; L744-F768 HydrophobicContact CD2-CE1 3.63Å; L744-F768 HydrophobicContact CD2-CZ 4.28Å; L744-F768 HydrophobicContact CG-CE1 4.39Å; E760-F768 HydrophobicContact CB-CD2 4.35Å; E760-F768 HydrophobicContact CB-CE2 4.08Å; E760-F768 HydrophobicContact CG-CE2 4.26Å; E760-F768 WeakPolarHBondContact OE1-CZ 3.34Å; E760-F768 WeakPolarHBondContact OE2-CE2 3.24Å; V762-F768 HydrophobicContact CG2-CB 3.76Å; T766-F768 HydrophobicContact CG2-CD2 3.95Å; T766-F768 HydrophobicContact CG2-CE2 4.48Å; T766-F768 PolarHBondContact O-N 2.81Å; T766-F768 VanDerWaalsContact O-N 3.12Å; F768-K770 VanDerWaalsContact C-N 3.26Å; F768-K770 PolarHBondContact O-N 2.03Å; F768-Y771 PolarHBondContact O-N 2.77Å; F768-Y771 VanDerWaalsContact O-N 3.09Å; F768-A772 PolarHBondContact O-N 3.39Å; F768-A779 HydrophobicContact CB-CB 4.39Å; F768-A779 HydrophobicContact CD1-CB 4.47Å; F768-A779 HydrophobicContact CG-CB 4.35Å; F768-V781 HydrophobicContact CD1-CG2 4.05Å; F768-V781 HydrophobicContact CE1-CB 4.43Å; F768-V781 HydrophobicContact CE1-CG1 3.99Å; F768-V781 HydrophobicContact CE1-CG2 3.51Å; F768-V781 HydrophobicContact CE2-CG2 4.16Å; F768-V781 HydrophobicContact CZ-CB 4.35Å; F768-V781 HydrophobicContact CZ-CG1 3.81Å; F768-V781 HydrophobicContact CZ-CG2 3.59Å; F768-R1874 VanDerWaalsContact O-CZ 3.23Å; F768-R1874 PolarHBondContact O-NH1 3.23Å; F768-R1874 PolarHBondContact O-NH2 2.87Å |
| 769 | A | 71.1 | Confident | 67.6 | Low | 26 Ų | 26 | 39.8 Ų | 39.8 | 22% | 0.215 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -48.4 | -45.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113 | Q763 P764 T766 L767 Y771 R1874 | Q763-A769 WeakPolarHBondContact O-CB 3.25Å; P764-A769 WeakPolarHBondContact O-CB 3.42Å; T766-A769 WeakPolarHBondContact O-CA 3.5Å; T766-A769 WeakPolarHBondContact O-CB 3.19Å; T766-A769 PolarHBondContact O-N 2.73Å; T766-A769 PolarHBondContact OG1-N 2.99Å; L767-A769 PolarHBondContact O-N 2.83Å; A769-Y771 VanDerWaalsContact C-N 3.31Å; A769-Y771 PolarHBondContact O-N 3.11Å; A769-R1874 PolarHBondContact O-NE 2.8Å; A769-R1874 PolarHBondContact O-NH2 2.78Å |
| 770 | K | 73.4 | Confident | 67.8 | Low | 155 Ų | 155 | 36.8 Ų | 36.8 | 67% | 0.674 | 21% | 0.205 | S | C | * | . | G | 310 helix | trans | -72.3 | -27 | -174.8 | -157.8 | 165 | -179.8 | 177.3 | 0 | 111.8 | R693 F768 | R693-K770 PolarHBondContact NH2-O 2.93Å; R693-K770 VanDerWaalsContact NH2-O 3.12Å; F768-K770 VanDerWaalsContact C-N 3.26Å; F768-K770 PolarHBondContact O-N 2.03Å |
| 771 | Y | 76.4 | Confident | 68.5 | Low | 39 Ų | 39 | 35.5 Ų | 35.5 | 15% | 0.153 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119.1 | -45.5 | -154.6 | -55 | -50.7 | 0 | 0 | 0 | 116 | R693 P708 L744 L767 F768 A769 | R693-Y771 PolarHBondContact NH2-O 2.55Å; P708-Y771 HydrophobicContact CB-CD1 3.49Å; P708-Y771 VanDerWaalsContact CB-CD1 3.49Å; P708-Y771 HydrophobicContact CB-CD2 4.18Å; P708-Y771 HydrophobicContact CB-CE1 4.12Å; P708-Y771 HydrophobicContact CB-CG 3.5Å; P708-Y771 HydrophobicContact CG-CD1 3.78Å; P708-Y771 HydrophobicContact CG-CD2 3.63Å; P708-Y771 HydrophobicContact CG-CE1 4.11Å; P708-Y771 HydrophobicContact CG-CE2 3.97Å; P708-Y771 HydrophobicContact CG-CG 3.5Å; P708-Y771 VanDerWaalsContact CG-CG 3.5Å; L744-Y771 HydrophobicContact CD1-CD2 3.73Å; L744-Y771 HydrophobicContact CD1-CE2 4.04Å; L767-Y771 HydrophobicContact CD1-CE2 4.41Å; L767-Y771 HydrophobicContact CG-CE2 4.46Å; L767-Y771 WeakPolarHBondContact O-CD2 3.42Å; L767-Y771 WeakPolarHBondContact O-CE2 3.41Å; F768-Y771 PolarHBondContact O-N 2.77Å; F768-Y771 VanDerWaalsContact O-N 3.09Å; A769-Y771 VanDerWaalsContact C-N 3.31Å; A769-Y771 PolarHBondContact O-N 3.11Å |
| 772 | A | 69.1 | Low | 69.5 | Low | 6 Ų | 6 | 32.8 Ų | 32.8 | 5% | 0.05 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -61 | 154.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | R693 F719 V762 F768 T776 A779 R1874 | R693-A772 PolarHBondContact NH2-O 2.84Å; F719-A772 HydrophobicContact CE2-CB 4.07Å; F719-A772 HydrophobicContact CZ-CB 4.1Å; V762-A772 HydrophobicContact CG2-CB 4.16Å; F768-A772 PolarHBondContact O-N 3.39Å; A772-T776 WeakPolarHBondContact CB-OG1 3.21Å; A772-A779 HydrophobicContact CB-CB 4.47Å; A772-R1874 VanDerWaalsContact C-NH2 3.27Å; A772-R1874 VanDerWaalsContact CB-NH2 3.33Å; A772-R1874 PolarHBondContact O-NH2 3.43Å |
| 773 | E | 66.4 | Low | 70.4 | Confident | 6 Ų | 6 | 37.8 Ų | 37.8 | 3% | 0.028 | 20% | 0.201 | C | C | . | . | P | Polyproline II helix | trans | -64 | 160.9 | -168.3 | -154.3 | 172.2 | -139.4 | 0 | 0 | 111.6 | R693 K715 F775 T776 L1878 R1885 | R693-E773 WeakPolarHBondContact CA-OE1 3.47Å; R693-E773 HydrophobicContact CG-CG 4.22Å; K715-E773 HydrophobicContact CD-CB 3.9Å; K715-E773 HydrophobicContact CD-CG 3.89Å; K715-E773 WeakPolarHBondContact CD-OE1 3.25Å; K715-E773 IonicContact NZ-OE1 3.05Å; K715-E773 PolarHBondContact NZ-OE1 3.33Å; K715-E773 IonicContact NZ-OE2 2.73Å; K715-E773 PolarHBondContact NZ-OE2 2.87Å; E773-F775 PolarHBondContact O-N 2.98Å; E773-T776 HydrophobicContact CB-CG2 3.86Å; E773-T776 PolarHBondContact N-OG1 2.6Å; E773-T776 VanDerWaalsContact N-OG1 3.11Å; E773-T776 PolarHBondContact O-OG1 2.87Å; E773-T776 VanDerWaalsContact O-OG1 3.08Å; E773-L1878 WeakPolarHBondContact O-CD2 3.49Å; E773-R1885 IonicContact OE1-CZ 3.7Å; E773-R1885 IonicContact OE1-NH1 3.85Å; E773-R1885 IonicContact OE1-NH2 2.76Å; E773-R1885 PolarHBondContact OE1-NH2 2.58Å; E773-R1885 IonicContact OE2-CZ 3.93Å; E773-R1885 IonicContact OE2-NH1 3.05Å; E773-R1885 PolarHBondContact OE2-NH1 2.96Å; E773-R1885 IonicContact OE2-NH2 3.3Å; E773-R1885 PolarHBondContact OE2-NH2 3.42Å |
| 774 | I | 60.1 | Low | 71.6 | Confident | 13 Ų | 13 | 37.9 Ų | 37.9 | 7% | 0.067 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | 130.8 | 154.3 | -26.5 | -167.2 | 0 | 0 | 0 | 106.8 | T696 W1877 L1878 | T696-I774 HydrophobicContact CG2-CD1 3.32Å; T696-I774 HydrophobicContact CG2-CG1 4.1Å; I774-W1877 HydrophobicContact CB-CH2 4.22Å; I774-W1877 HydrophobicContact CB-CZ3 4.22Å; I774-W1877 HydrophobicContact CD1-CH2 3.86Å; I774-W1877 HydrophobicContact CD1-CZ2 3.63Å; I774-W1877 HydrophobicContact CG1-CH2 3.64Å; I774-W1877 HydrophobicContact CG1-CZ2 3.95Å; I774-W1877 HydrophobicContact CG1-CZ3 4.12Å; I774-W1877 HydrophobicContact CG2-CD2 3.64Å; I774-W1877 HydrophobicContact CG2-CE3 3.61Å; I774-W1877 HydrophobicContact CG2-CG 4.4Å; I774-W1877 HydrophobicContact CG2-CH2 3.82Å; I774-W1877 HydrophobicContact CG2-CZ2 3.82Å; I774-W1877 HydrophobicContact CG2-CZ3 3.7Å; I774-W1877 WeakPolarHBondContact CG2-O 3.48Å; I774-L1878 HydrophobicContact CG2-CD2 4.38Å |
| 775 | F | 60.5 | Low | 73.1 | Confident | 27 Ų | 27 | 36.2 Ų | 36.2 | 12% | 0.118 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.7 | 16 | -174.8 | -46 | -76.2 | 0 | 0 | 0 | 120.1 | L695 E773 W1877 L1878 R1879 R1880 N1881 A1882 | L695-F775 HydrophobicContact CD1-CD2 3.14Å; L695-F775 HydrophobicContact CD1-CE2 3.61Å; L695-F775 HydrophobicContact CD1-CG 4.21Å; E773-F775 PolarHBondContact O-N 2.98Å; F775-W1877 WeakPolarHBondContact CE1-O 3.19Å; F775-W1877 WeakPolarHBondContact CZ-O 3.33Å; F775-L1878 WeakPolarHBondContact CA-O 3.32Å; F775-L1878 VanDerWaalsContact CD1-O 3.27Å; F775-L1878 WeakPolarHBondContact CD1-O 3.35Å; F775-R1879 VanDerWaalsContact CD1-C 3.43Å; F775-R1879 VanDerWaalsContact CD1-N 3.26Å; F775-R1879 VanDerWaalsContact CE1-C 3.49Å; F775-R1879 VanDerWaalsContact CE1-N 3.31Å; F775-R1880 HydrophobicContact CE1-CB 4.13Å; F775-R1880 HydrophobicContact CZ-CB 4.48Å; F775-N1881 HydrophobicContact CD2-CB 4Å; F775-N1881 HydrophobicContact CE1-CB 4.28Å; F775-N1881 VanDerWaalsContact CE2-CA 3.46Å; F775-N1881 HydrophobicContact CE2-CB 3.13Å; F775-N1881 VanDerWaalsContact CZ-CA 3.42Å; F775-N1881 HydrophobicContact CZ-CB 3.39Å; F775-N1881 WeakPolarHBondContact CZ-OD1 3.44Å; F775-A1882 HydrophobicContact CB-CB 3.82Å; F775-A1882 HydrophobicContact CD1-CB 3.69Å; F775-A1882 HydrophobicContact CG-CB 3.66Å |
| 776 | T | 61.9 | Low | 74.2 | Confident | 39 Ų | 39 | 34.3 Ų | 34.3 | 24% | 0.239 | 18% | 0.182 | C | C | . | . | trans | -107.4 | 95.2 | 169.1 | 52.7 | 0 | 0 | 0 | 0 | 112.7 | V762 A772 E773 V778 L1878 | V762-T776 WeakPolarHBondContact CG1-O 3.48Å; A772-T776 WeakPolarHBondContact CB-OG1 3.21Å; E773-T776 HydrophobicContact CB-CG2 3.86Å; E773-T776 PolarHBondContact N-OG1 2.6Å; E773-T776 VanDerWaalsContact N-OG1 3.11Å; E773-T776 PolarHBondContact O-OG1 2.87Å; E773-T776 VanDerWaalsContact O-OG1 3.08Å; T776-V778 PolarHBondContact O-N 3.01Å; T776-L1878 VanDerWaalsContact O-CD1 3.28Å; T776-L1878 WeakPolarHBondContact O-CD1 3.37Å | ||
| 777 | S | 58.8 | Low | 75 | Confident | 43 Ų | 43 | 36.9 Ų | 36.9 | 30% | 0.301 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -64.1 | -18.4 | -179.1 | 48.2 | 0 | 0 | 0 | 0 | 115.6 | V762 | V762-S777 PolarHBondContact N-O 3.34Š|
| 778 | V | 72.8 | Confident | 75.6 | Confident | 64 Ų | 64 | 37.4 Ų | 37.4 | 39% | 0.388 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 150.2 | 173.3 | -77.9 | 0 | 0 | 0 | 0 | 109.1 | E760 V761 T776 | E760-V778 WeakPolarHBondContact O-CA 3.41Å; V761-V778 HydrophobicContact CB-CG1 4.33Å; V761-V778 HydrophobicContact CG2-CG1 3.94Å; T776-V778 PolarHBondContact O-N 3.01Å |
| 779 | A | 77.5 | Confident | 76 | Confident | 5 Ų | 5 | 37.1 Ų | 37.1 | 4% | 0.041 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 138.5 | 163.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | F719 T759 E760 V762 F768 A772 V781 | F719-A779 HydrophobicContact CD2-CB 3.92Å; F719-A779 HydrophobicContact CE2-CB 3.86Å; T759-A779 WeakPolarHBondContact CA-O 3.48Å; E760-A779 PolarHBondContact N-O 3.03Å; E760-A779 PolarHBondContact O-N 2.95Å; V762-A779 HydrophobicContact CG2-CB 3.68Å; F768-A779 HydrophobicContact CB-CB 4.39Å; F768-A779 HydrophobicContact CD1-CB 4.47Å; F768-A779 HydrophobicContact CG-CB 4.35Å; A772-A779 HydrophobicContact CB-CB 4.47Å; A779-V781 HydrophobicContact CB-CG2 4.01Å; A779-V781 PolarHBondContact O-N 2.94Å |
| 780 | A | 83.7 | Confident | 76.6 | Confident | 31 Ų | 31 | 38.4 Ų | 38.4 | 26% | 0.256 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 118.4 | 165.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | K718 F719 L757 | K718-A780 WeakPolarHBondContact CA-O 3.36Å; K718-A780 HydrophobicContact CB-CB 4.2Å; K718-A780 HydrophobicContact CD-CB 4.29Å; K718-A780 HydrophobicContact CG-CB 3.82Å; F719-A780 PolarHBondContact N-O 3.35Å; L757-A780 HydrophobicContact CD1-CB 4.08Å |
| 781 | V | 86.1 | Confident | 77.2 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 128.2 | -175.5 | -174.9 | 0 | 0 | 0 | 0 | 110.4 | F719 V721 T758 E760 F768 A779 R783 | F719-V781 CarbonylContact O-C 3.56Å; F719-V781 VanDerWaalsContact O-CA 3.29Å; F719-V781 WeakPolarHBondContact O-CA 3.46Å; V721-V781 HydrophobicContact CB-CG1 4.3Å; V721-V781 HydrophobicContact CG2-CG1 3.49Å; V721-V781 VanDerWaalsContact CG2-CG1 3.49Å; T758-V781 HydrophobicContact CG2-CB 4.17Å; T758-V781 WeakPolarHBondContact CG2-O 3.36Å; T758-V781 PolarHBondContact N-O 3.5Å; T758-V781 PolarHBondContact O-N 3.26Å; E760-V781 HydrophobicContact CB-CG2 3.8Å; E760-V781 HydrophobicContact CG-CB 4.03Å; E760-V781 HydrophobicContact CG-CG2 3.82Å; E760-V781 WeakPolarHBondContact OE1-CG1 3.42Å; F768-V781 HydrophobicContact CD1-CG2 4.05Å; F768-V781 HydrophobicContact CE1-CB 4.43Å; F768-V781 HydrophobicContact CE1-CG1 3.99Å; F768-V781 HydrophobicContact CE1-CG2 3.51Å; F768-V781 HydrophobicContact CE2-CG2 4.16Å; F768-V781 HydrophobicContact CZ-CB 4.35Å; F768-V781 HydrophobicContact CZ-CG1 3.81Å; F768-V781 HydrophobicContact CZ-CG2 3.59Å; A779-V781 HydrophobicContact CB-CG2 4.01Å; A779-V781 PolarHBondContact O-N 2.94Å; V781-R783 HydrophobicContact CG1-CG 4.13Å |
| 782 | C | 88.9 | Confident | 77.7 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 104 | 169.4 | -52.1 | 0 | 0 | 0 | 0 | 107.9 | F719 I720 V721 C751 Y756 | F719-C782 PolarHBondContact O-N 2.85Å; I720-C782 HydrophobicContact CG1-CB 4.29Å; V721-C782 PolarHBondContact N-O 3.49Å; C751-C782 WeakPolarHBondContact CA-SG 3.44Å; C751-C782 HydrophobicContact CB-CB 3.7Å; C751-C782 WeakPolarHBondContact CB-SG 3.5Å; C751-C782 VanDerWaalsContact SG-CA 3.52Å; C751-C782 WeakPolarHBondContact SG-CB 3.45Å; C751-C782 CovalentContact SG-SG 2.04Å; C751-C782 PolarHBondContact SG-SG 3.38Å; Y756-C782 WeakPolarHBondContact O-CA 3.33Å |
| 783 | R | 86 | Confident | 78.5 | Confident | 104 Ų | 104 | 35.3 Ų | 35.3 | 39% | 0.392 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 142.2 | 174.9 | -81.2 | -165.6 | 176.1 | -150.2 | 0.4 | 110.2 | V721 T755 Y756 T758 E760 V781 C785 | V721-R783 HydrophobicContact CB-CG 4.4Å; T755-R783 CarbonylContact C-O 3.5Å; T755-R783 WeakPolarHBondContact CA-O 3.38Å; T755-R783 VanDerWaalsContact CB-O 3.24Å; T755-R783 WeakPolarHBondContact CB-O 3.5Å; Y756-R783 HydrophobicContact CD1-CB 4.4Å; Y756-R783 WeakPolarHBondContact CD1-O 3.49Å; Y756-R783 HydrophobicContact CE1-CB 3.83Å; Y756-R783 PolarHBondContact N-O 3.34Å; Y756-R783 PolarHBondContact O-N 2.04Å; T758-R783 HydrophobicContact CG2-CB 4.25Å; T758-R783 HydrophobicContact CG2-CG 3.82Å; E760-R783 IonicContact OE1-CZ 3.46Å; E760-R783 VanDerWaalsContact OE1-CZ 3.3Å; E760-R783 IonicContact OE1-NE 3.31Å; E760-R783 PolarHBondContact OE1-NE 3.04Å; E760-R783 IonicContact OE1-NH2 3Å; E760-R783 PolarHBondContact OE1-NH2 3.47Å; E760-R783 IonicContact OE2-CZ 3.82Å; E760-R783 IonicContact OE2-NE 3.56Å; E760-R783 IonicContact OE2-NH2 3.7Å; E760-R783 PolarHBondContact OE2-NH2 2.89Å; V781-R783 HydrophobicContact CG1-CG 4.13Å; R783-C785 PolarHBondContact O-N 3.3Å |
| 784 | S | 85.8 | Confident | 79.3 | Confident | 23 Ų | 23 | 36.1 Ų | 36.1 | 16% | 0.161 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -51.2 | 134.9 | 170.9 | -53.8 | 0 | 0 | 0 | 0 | 111.3 | Y756 | Y756-S784 WeakPolarHBondContact CE1-O 3.43Å |
| 785 | C | 85.6 | Confident | 80.6 | Confident | 7 Ų | 7 | 42 Ų | 42 | 5% | 0.047 | 23% | 0.229 | C | C | . | . | P | Polyproline II helix | trans | -65.4 | 167.9 | 161 | -69.1 | 0 | 0 | 0 | 0 | 110.5 | G754 R783 C789 C792 | G754-C785 PolarHBondContact O-N 2.85Å; R783-C785 PolarHBondContact O-N 3.3Å; C785-C789 WeakPolarHBondContact CB-O 3.42Å; C785-C792 WeakPolarHBondContact CA-SG 3.03Å; C785-C792 HydrophobicContact CB-CB 3.83Å; C785-C792 WeakPolarHBondContact CB-SG 3.35Å; C785-C792 WeakPolarHBondContact SG-CB 3.42Å; C785-C792 PolarHBondContact SG-N 3.07Å; C785-C792 VanDerWaalsContact SG-N 3.38Å; C785-C792 CovalentContact SG-SG 2.04Å; C785-C792 PolarHBondContact SG-SG 3.47Å |
| 786 | H | 82 | Confident | 81.6 | Confident | 35 Ų | 35 | 42 Ų | 42 | 16% | 0.162 | 23% | 0.233 | C | C | . | . | P | Polyproline II helix | trans | -58.6 | 141.1 | 170.8 | -172.3 | -81.4 | 0 | 0 | 0 | 109.9 | R788 C789 Y795 L797 | H786-R788 VanDerWaalsContact C-N 3.29Å; H786-R788 PolarHBondContact ND1-N 3.32Å; H786-R788 VanDerWaalsContact ND1-N 3.2Å; H786-R788 PolarHBondContact O-N 2.93Å; H786-C789 HydrophobicContact CB-CB 4.29Å; H786-C789 CarbonylContact O-C 3.45Å; H786-C789 WeakPolarHBondContact O-CA 3.44Å; H786-C789 PolarHBondContact O-N 2.95Å; H786-Y795 HydrophobicContact CB-CD2 4.27Å; H786-Y795 HydrophobicContact CB-CE2 4.06Å; H786-Y795 AromaticContact CD2-CE1 3.84Å; H786-Y795 AromaticContact CD2-CZ 3.59Å; H786-Y795 PolarHBondContact CD2-OH 3.27Å; H786-L797 VanDerWaalsContact CE1-CD2 3.43Å; H786-L797 WeakPolarHBondContact CE1-CD2 3.03Å; H786-L797 WeakPolarHBondContact ND1-CD2 3.28Å |
| 787 | P | 81.9 | Confident | 82.9 | Confident | 80 Ų | 80 | 42.6 Ų | 42.6 | 52% | 0.519 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56 | -37.9 | -176.4 | -29.9 | 36.5 | 0 | 0 | 0 | 114.6 | C789 | P787-C789 PolarHBondContact O-N 2.92Å; P787-C789 VanDerWaalsContact O-N 3.16Å |
| 788 | R | 83.4 | Confident | 84.2 | Confident | 76 Ų | 76 | 43.4 Ų | 43.4 | 29% | 0.287 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | 7 | 170.2 | -58.4 | 178.7 | 177 | -179.6 | -8.9 | 114.6 | H786 L797 C810 N811 C819 E821 | H786-R788 VanDerWaalsContact C-N 3.29Å; H786-R788 PolarHBondContact ND1-N 3.32Å; H786-R788 VanDerWaalsContact ND1-N 3.2Å; H786-R788 PolarHBondContact O-N 2.93Å; R788-L797 HydrophobicContact CB-CD2 3.82Å; R788-L797 HydrophobicContact CG-CD2 4.47Å; R788-C810 CarbonylContact O-C 3.58Å; R788-N811 PolarHBondContact O-N 3.25Å; R788-C819 PolarHBondContact O-SG 2.04Å; R788-E821 HydrophobicContact CG-CB 4.24Å; R788-E821 VanDerWaalsContact CZ-CB 3.49Å; R788-E821 IonicContact CZ-OE2 2.68Å; R788-E821 VanDerWaalsContact CZ-OE2 3.31Å; R788-E821 IonicContact NE-OE2 3.47Å; R788-E821 PolarHBondContact NE-OE2 3.45Å; R788-E821 IonicContact NH2-OE2 3.56Å; R788-E821 PolarHBondContact NH2-OE2 2.85Å |
| 789 | C | 84.7 | Confident | 85 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | trans | -144.1 | 78.1 | -176.1 | -167.9 | 0 | 0 | 0 | 0 | 113.3 | C785 H786 P787 V791 C807 K809 | C785-C789 WeakPolarHBondContact CB-O 3.42Å; H786-C789 HydrophobicContact CB-CB 4.29Å; H786-C789 CarbonylContact O-C 3.45Å; H786-C789 WeakPolarHBondContact O-CA 3.44Å; H786-C789 PolarHBondContact O-N 2.95Å; P787-C789 PolarHBondContact O-N 2.92Å; P787-C789 VanDerWaalsContact O-N 3.16Å; C789-V791 PolarHBondContact O-N 3.49Å; C789-V791 PolarHBondContact SG-O 3.45Å; C789-C807 HydrophobicContact CB-CB 3.95Å; C789-C807 WeakPolarHBondContact CB-SG 3.46Å; C789-C807 WeakPolarHBondContact SG-CA 3.43Å; C789-C807 WeakPolarHBondContact SG-CB 3.43Å; C789-C807 CovalentContact SG-SG 2.03Å; C789-C807 PolarHBondContact SG-SG 3.44Å; C789-K809 CarbonylContact C-O 3.47Å; C789-K809 WeakPolarHBondContact CA-O 3.32Å; C789-K809 PolarHBondContact SG-O 3.05Å; C789-K809 VanDerWaalsContact SG-O 3.35Å | ||
| 790 | P | 83.2 | Confident | 85.2 | Confident | 54 Ų | 54 | 45.4 Ų | 45.4 | 35% | 0.351 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -62.4 | -12.8 | -176.9 | 23.7 | -36.8 | 0 | 0 | 0 | 116.1 | G754 K809 N811 | G754-P790 WeakPolarHBondContact CA-O 2.94Å; G754-P790 PolarHBondContact N-O 2.86Å; P790-K809 VanDerWaalsContact CD-O 3.24Å; P790-K809 WeakPolarHBondContact CD-O 3.04Å; P790-N811 VanDerWaalsContact CD-CB 3.41Å; P790-N811 HydrophobicContact CG-CB 3.99Å |
| 791 | V | 86.4 | Confident | 85.2 | Confident | 70 Ų | 70 | 48.7 Ų | 48.7 | 42% | 0.424 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 119.4 | 170.4 | -169.8 | 0 | 0 | 0 | 0 | 109.1 | C789 M808 K809 | C789-V791 PolarHBondContact O-N 3.49Å; C789-V791 PolarHBondContact SG-O 3.45Å; V791-M808 HydrophobicContact CB-CB 4.46Å; V791-M808 HydrophobicContact CG1-CB 4.23Å; V791-M808 HydrophobicContact CG1-SD 4.12Å; V791-M808 WeakPolarHBondContact O-CA 3.45Å; V791-M808 WeakPolarHBondContact O-CB 3.35Å; V791-M808 PolarHBondContact O-N 3.26Å; V791-K809 HydrophobicContact CB-CB 3.83Å; V791-K809 HydrophobicContact CG2-CB 4.05Å; V791-K809 HydrophobicContact CG2-CD 4.23Å; V791-K809 PolarHBondContact O-N 3.46Å |
| 792 | C | 86.6 | Confident | 84.8 | Confident | 10 Ų | 10 | 58.5 Ų | 58.5 | 7% | 0.068 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 161.3 | -176 | 78.2 | 0 | 0 | 0 | 0 | 111.5 | Y756 C785 A794 G806 | Y756-C792 WeakPolarHBondContact CB-O 3.32Å; Y756-C792 WeakPolarHBondContact CD1-SG 3.45Å; C785-C792 WeakPolarHBondContact CA-SG 3.03Å; C785-C792 HydrophobicContact CB-CB 3.83Å; C785-C792 WeakPolarHBondContact CB-SG 3.35Å; C785-C792 WeakPolarHBondContact SG-CB 3.42Å; C785-C792 PolarHBondContact SG-N 3.07Å; C785-C792 VanDerWaalsContact SG-N 3.38Å; C785-C792 CovalentContact SG-SG 2.04Å; C785-C792 PolarHBondContact SG-SG 3.47Å; C792-A794 WeakPolarHBondContact CB-O 3.2Å; C792-A794 PolarHBondContact SG-O 3.47Å; C792-A794 VanDerWaalsContact SG-O 3.4Å; C792-G806 CarbonylContact C-O 3.5Å; C792-G806 VanDerWaalsContact CA-O 3.29Å; C792-G806 WeakPolarHBondContact CA-O 3.14Å; C792-G806 WeakPolarHBondContact CB-O 3.46Å |
| 793 | T | 85.6 | Confident | 84.2 | Confident | 54 Ų | 54 | 67.8 Ų | 67.8 | 33% | 0.331 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -103.8 | -13.8 | 166.4 | 54.3 | 0 | 0 | 0 | 0 | 112.9 | Y756 L805 G806 M808 | Y756-T793 WeakPolarHBondContact CD2-O 3.32Å; T793-L805 WeakPolarHBondContact OG1-CA 3.44Å; T793-G806 PolarHBondContact N-O 3.23Å; T793-G806 PolarHBondContact OG1-N 2.99Å; T793-G806 PolarHBondContact OG1-O 3.49Å; T793-M808 HydrophobicContact CG2-CG 4.21Å; T793-M808 HydrophobicContact CG2-SD 3.68Å |
| 794 | A | 84.1 | Confident | 83.8 | Confident | 23 Ų | 23 | 69 Ų | 69 | 19% | 0.19 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -153.7 | 160.9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | C792 S796 L805 | C792-A794 WeakPolarHBondContact CB-O 3.2Å; C792-A794 PolarHBondContact SG-O 3.47Å; C792-A794 VanDerWaalsContact SG-O 3.4Å; A794-S796 PolarHBondContact O-N 2.69Å; A794-L805 HydrophobicContact CB-CB 3.79Å |
| 795 | Y | 87 | Confident | 83.7 | Confident | 136 Ų | 136 | 74 Ų | 74 | 53% | 0.533 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -67.2 | 97.3 | 172.9 | -169.7 | -88.4 | 0 | 0 | 0 | 110.4 | Y756 H786 | Y756-Y795 PolarHBondContact OH-N 3.13Å; H786-Y795 HydrophobicContact CB-CD2 4.27Å; H786-Y795 HydrophobicContact CB-CE2 4.06Å; H786-Y795 AromaticContact CD2-CE1 3.84Å; H786-Y795 AromaticContact CD2-CZ 3.59Å; H786-Y795 PolarHBondContact CD2-OH 3.27Å |
| 796 | S | 82.8 | Confident | 83.7 | Confident | 29 Ų | 29 | 73.6 Ų | 73.6 | 20% | 0.203 | 37% | 0.369 | C | S | . | . | trans | -157.8 | 152.9 | -176.3 | -175.7 | 0 | 0 | 0 | 0 | 110.8 | A794 L798 | A794-S796 PolarHBondContact O-N 2.69Å; S796-L798 PolarHBondContact OG-N 3.05Å | ||
| 797 | L | 87.4 | Confident | 84.1 | Confident | 50 Ų | 50 | 72 Ų | 72 | 26% | 0.262 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -94.5 | -12.7 | 167 | -75.1 | 178.6 | 0 | 0 | 0 | 113.2 | H786 R788 C819 | H786-L797 VanDerWaalsContact CE1-CD2 3.43Å; H786-L797 WeakPolarHBondContact CE1-CD2 3.03Å; H786-L797 WeakPolarHBondContact ND1-CD2 3.28Å; R788-L797 HydrophobicContact CB-CD2 3.82Å; R788-L797 HydrophobicContact CG-CD2 4.47Å; L797-C819 HydrophobicContact CD2-CB 4.07Å; L797-C819 WeakPolarHBondContact CD2-O 3.02Å; L797-C819 VanDerWaalsContact O-CB 3.27Å; L797-C819 WeakPolarHBondContact O-CB 3.42Å; L797-C819 PolarHBondContact O-N 3.29Å |
| 798 | L | 87.6 | Confident | 84.3 | Confident | 61 Ų | 61 | 73.8 Ų | 73.8 | 32% | 0.319 | 36% | 0.364 | S | S | . | . | B | Isolated β-bridge | trans | -80.3 | 142.3 | -179 | -59.4 | 177.3 | 0 | 0 | 0 | 110.5 | S796 A800 C807 D817 A818 | S796-L798 PolarHBondContact OG-N 3.05Å; L798-A800 PolarHBondContact O-N 3.41Å; L798-C807 WeakPolarHBondContact O-CB 3.34Å; L798-C807 PolarHBondContact O-N 3.41Å; L798-D817 WeakPolarHBondContact CA-O 3.27Å; L798-A818 HydrophobicContact CD2-CB 4.24Å |
| 799 | R | 88.2 | Confident | 84.5 | Confident | 84 Ų | 84 | 76 Ų | 76 | 32% | 0.317 | 38% | 0.376 | S | S | . | . | B | Isolated β-bridge | trans | -56.7 | 129.8 | 177.9 | -173.6 | 174.4 | -81.4 | -178.2 | -13.6 | 111.4 | W814 D817 | R799-W814 HydrophobicContact CB-CE3 4.14Å; R799-W814 HydrophobicContact CB-CH2 3.74Å; R799-W814 HydrophobicContact CB-CZ2 4.48Å; R799-W814 HydrophobicContact CB-CZ3 3.55Å; R799-W814 HydrophobicContact CG-CH2 4.01Å; R799-W814 HydrophobicContact CG-CZ2 4.32Å; R799-W814 HydrophobicContact CG-CZ3 4.24Å; R799-D817 HydrophobicContact CB-CB 4.25Å; R799-D817 WeakPolarHBondContact CD-OD1 3.44Å; R799-D817 IonicContact CZ-OD1 2.69Å; R799-D817 PolarHBondContact N-O 3.27Å; R799-D817 IonicContact NE-OD1 3.65Å; R799-D817 IonicContact NH1-OD1 3.77Å; R799-D817 PolarHBondContact NH1-OD1 3.14Å |
| 800 | A | 83 | Confident | 84.6 | Confident | 27 Ų | 27 | 76.9 Ų | 76.9 | 22% | 0.223 | 38% | 0.382 | C | S | . | . | P | Polyproline II helix | trans | -71.2 | 143.1 | 174 | 0 | 0 | 0 | 0 | 0 | 111 | L798 R804 C807 M808 | L798-A800 PolarHBondContact O-N 3.41Å; A800-R804 VanDerWaalsContact CA-O 3.28Å; A800-R804 WeakPolarHBondContact CA-O 3.37Å; A800-C807 WeakPolarHBondContact CB-O 3.4Å; A800-C807 PolarHBondContact N-O 3.41Å; A800-M808 HydrophobicContact CB-CG 4.14Å |
| 801 | N | 83.6 | Confident | 84.7 | Confident | 100 Ų | 100 | 79.2 Ų | 79.2 | 54% | 0.535 | 39% | 0.391 | S | S | . | . | B | Isolated β-bridge | trans | -145.4 | 179 | 169 | 70.3 | 35.3 | 0 | 0 | 0 | 109.6 | Q803 R804 | N801-Q803 PolarHBondContact O-N 2.83Å; N801-Q803 WeakPolarHBondContact OD1-CA 3.41Å; N801-Q803 PolarHBondContact OD1-N 2.99Å; N801-R804 PolarHBondContact N-O 3.41Å; N801-R804 CarbonylContact O-C 3.6Å; N801-R804 PolarHBondContact O-N 2.91Å; N801-R804 VanDerWaalsContact O-O 3.08Å; N801-R804 VanDerWaalsContact OD1-CB 3.32Å; N801-R804 WeakPolarHBondContact OD1-CB 3.19Å; N801-R804 PolarHBondContact OD1-N 2.88Å |
| 802 | E | 76.9 | Confident | 84.7 | Confident | 206 Ų | 206 | 77.1 Ų | 77.1 | 96% | 0.963 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -23.6 | -176.1 | -60.4 | -173.4 | 161.4 | 0 | 0 | 114.6 | ||
| 803 | Q | 75.8 | Confident | 84.7 | Confident | 194 Ų | 194 | 78.7 Ų | 78.7 | 91% | 0.907 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.5 | -10.8 | 179.5 | -59.3 | -180 | 4.8 | 0 | 0 | 113 | N801 | N801-Q803 PolarHBondContact O-N 2.83Å; N801-Q803 WeakPolarHBondContact OD1-CA 3.41Å; N801-Q803 PolarHBondContact OD1-N 2.99Å |
| 804 | R | 77.7 | Confident | 85 | Confident | 130 Ų | 130 | 77.7 Ų | 77.7 | 49% | 0.491 | 38% | 0.38 | S | S | . | . | B | Isolated β-bridge | trans | -134.5 | 106 | -168.4 | -163.3 | -179.8 | -147 | 165.1 | 9.1 | 111.1 | A800 N801 | A800-R804 VanDerWaalsContact CA-O 3.28Å; A800-R804 WeakPolarHBondContact CA-O 3.37Å; N801-R804 PolarHBondContact N-O 3.41Å; N801-R804 CarbonylContact O-C 3.6Å; N801-R804 PolarHBondContact O-N 2.91Å; N801-R804 VanDerWaalsContact O-O 3.08Å; N801-R804 VanDerWaalsContact OD1-CB 3.32Å; N801-R804 WeakPolarHBondContact OD1-CB 3.19Å; N801-R804 PolarHBondContact OD1-N 2.88Å |
| 805 | L | 84.4 | Confident | 85.2 | Confident | 127 Ų | 127 | 77.3 Ų | 77.3 | 67% | 0.665 | 38% | 0.375 | S | S | * | . | trans | -61.1 | 142.7 | 166.4 | -58 | 175.7 | 0 | 0 | 0 | 110 | T793 A794 | T793-L805 WeakPolarHBondContact OG1-CA 3.44Å; A794-L805 HydrophobicContact CB-CB 3.79Å | ||
| 806 | G | 85.8 | Confident | 85 | Confident | 0 Ų | 0 | 77.7 Ų | 77.7 | 0% | 0 | 38% | 0.375 | C | S | . | . | S | Bend | trans | 164.6 | -141 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | C792 T793 | C792-G806 CarbonylContact C-O 3.5Å; C792-G806 VanDerWaalsContact CA-O 3.29Å; C792-G806 WeakPolarHBondContact CA-O 3.14Å; C792-G806 WeakPolarHBondContact CB-O 3.46Å; T793-G806 PolarHBondContact N-O 3.23Å; T793-G806 PolarHBondContact OG1-N 2.99Å; T793-G806 PolarHBondContact OG1-O 3.49Å |
| 807 | C | 89.3 | Confident | 85.2 | Confident | 0 Ų | 0 | 80.3 Ų | 80.3 | 0% | 0 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 119 | -174.3 | -174.4 | 0 | 0 | 0 | 0 | 112.5 | C789 L798 A800 K809 W814 | C789-C807 HydrophobicContact CB-CB 3.95Å; C789-C807 WeakPolarHBondContact CB-SG 3.46Å; C789-C807 WeakPolarHBondContact SG-CA 3.43Å; C789-C807 WeakPolarHBondContact SG-CB 3.43Å; C789-C807 CovalentContact SG-SG 2.03Å; C789-C807 PolarHBondContact SG-SG 3.44Å; L798-C807 WeakPolarHBondContact O-CB 3.34Å; L798-C807 PolarHBondContact O-N 3.41Å; A800-C807 WeakPolarHBondContact CB-O 3.4Å; A800-C807 PolarHBondContact N-O 3.41Å; C807-K809 VanDerWaalsContact SG-C 3.57Å; C807-W814 HydrophobicContact CB-CH2 3.9Å |
| 808 | M | 87.8 | Confident | 85.2 | Confident | 118 Ų | 118 | 79.5 Ų | 79.5 | 58% | 0.581 | 39% | 0.387 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89 | -36.9 | 175.2 | -57 | 179 | 75.4 | 0 | 0 | 111.7 | V791 T793 A800 | V791-M808 HydrophobicContact CB-CB 4.46Å; V791-M808 HydrophobicContact CG1-CB 4.23Å; V791-M808 HydrophobicContact CG1-SD 4.12Å; V791-M808 WeakPolarHBondContact O-CA 3.45Å; V791-M808 WeakPolarHBondContact O-CB 3.35Å; V791-M808 PolarHBondContact O-N 3.26Å; T793-M808 HydrophobicContact CG2-CG 4.21Å; T793-M808 HydrophobicContact CG2-SD 3.68Å; A800-M808 HydrophobicContact CB-CG 4.14Å |
| 809 | K | 87.2 | Confident | 85.3 | Confident | 123 Ų | 123 | 76.6 Ų | 76.6 | 54% | 0.535 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 104.3 | 179.7 | -171.7 | 174.3 | -176.3 | 172.8 | 0 | 110.4 | C789 P790 V791 C807 | C789-K809 CarbonylContact C-O 3.47Å; C789-K809 WeakPolarHBondContact CA-O 3.32Å; C789-K809 PolarHBondContact SG-O 3.05Å; C789-K809 VanDerWaalsContact SG-O 3.35Å; P790-K809 VanDerWaalsContact CD-O 3.24Å; P790-K809 WeakPolarHBondContact CD-O 3.04Å; V791-K809 HydrophobicContact CB-CB 3.83Å; V791-K809 HydrophobicContact CG2-CB 4.05Å; V791-K809 HydrophobicContact CG2-CD 4.23Å; V791-K809 PolarHBondContact O-N 3.46Å; C807-K809 VanDerWaalsContact SG-C 3.57Å |
| 810 | C | 86.4 | Confident | 85.3 | Confident | 19 Ų | 19 | 73.8 Ų | 73.8 | 13% | 0.128 | 36% | 0.364 | C | S | . | . | trans | -67.5 | 143.1 | 171.9 | -177.1 | 0 | 0 | 0 | 0 | 110.8 | R788 G812 F813 W814 C819 | R788-C810 CarbonylContact O-C 3.58Å; C810-G812 VanDerWaalsContact SG-C 3.6Å; C810-F813 PolarHBondContact SG-N 2.7Å; C810-W814 HydrophobicContact CB-CD2 4.07Å; C810-W814 HydrophobicContact CB-CE3 4.49Å; C810-W814 HydrophobicContact CB-CH2 4.05Å; C810-W814 HydrophobicContact CB-CZ2 3.58Å; C810-W814 HydrophobicContact CB-CZ3 4.47Å; C810-C819 VanDerWaalsContact CA-SG 3.54Å; C810-C819 HydrophobicContact CB-CB 3.79Å; C810-C819 WeakPolarHBondContact CB-SG 3.38Å; C810-C819 WeakPolarHBondContact SG-CB 3.2Å; C810-C819 CovalentContact SG-SG 2.03Å; C810-C819 PolarHBondContact SG-SG 3.29Å | ||
| 811 | N | 85.2 | Confident | 85.3 | Confident | 102 Ų | 102 | 76.7 Ų | 76.7 | 55% | 0.545 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -113.7 | 97.5 | 167.8 | 176.8 | 41.7 | 0 | 0 | 0 | 106.5 | R788 P790 | R788-N811 PolarHBondContact O-N 3.25Å; P790-N811 VanDerWaalsContact CD-CB 3.41Å; P790-N811 HydrophobicContact CG-CB 3.99Å |
| 812 | G | 85.7 | Confident | 85.4 | Confident | 26 Ų | 26 | 78.2 Ų | 78.2 | 27% | 0.268 | 38% | 0.377 | S | S | . | . | S | Bend | trans | 127.5 | -145.1 | -154.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | C810 V820 | C810-G812 VanDerWaalsContact SG-C 3.6Å; G812-V820 CarbonylContact C-O 3.53Å; G812-V820 WeakPolarHBondContact CA-O 3.12Å |
| 813 | F | 88.4 | Confident | 85.8 | Confident | 44 Ų | 44 | 69 Ų | 69 | 19% | 0.193 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 150.9 | -169.5 | -48 | -71 | 0 | 0 | 0 | 111.6 | C810 C819 V820 E821 C823 H864 G867 C869 | C810-F813 PolarHBondContact SG-N 2.7Å; F813-C819 WeakPolarHBondContact O-CA 3.45Å; F813-V820 HydrophobicContact CB-CG2 4.47Å; F813-V820 PolarHBondContact N-O 2.55Å; F813-V820 WeakPolarHBondContact O-CG2 3.26Å; F813-V820 PolarHBondContact O-N 2.92Å; F813-E821 WeakPolarHBondContact CD2-O 3.25Å; F813-E821 WeakPolarHBondContact CE2-O 3.03Å; F813-C823 VanDerWaalsContact CB-SG 3.55Å; F813-H864 HydrophobicContact CD1-CB 3.69Å; F813-H864 AromaticContact CD1-CD2 3.56Å; F813-H864 AromaticContact CD1-CG 3.53Å; F813-H864 HydrophobicContact CE1-CB 4.1Å; F813-H864 AromaticContact CE1-CD2 3.08Å; F813-H864 WeakPolarHBondContact CE1-CD2 3.22Å; F813-H864 AromaticContact CE1-CE1 3.8Å; F813-H864 AromaticContact CE1-CG 3.4Å; F813-H864 AromaticContact CE1-ND1 3.83Å; F813-H864 AromaticContact CE1-NE2 3.37Å; F813-H864 WeakPolarHBondContact CE1-NE2 3.42Å; F813-H864 AromaticContact CE2-CD2 3.92Å; F813-H864 HydrophobicContact CG-CB 4.2Å; F813-H864 AromaticContact CZ-CD2 3.28Å; F813-H864 WeakPolarHBondContact CZ-CD2 3.41Å; F813-H864 AromaticContact CZ-NE2 3.46Å; F813-H864 WeakPolarHBondContact CZ-NE2 3.01Å; F813-G867 CarbonylContact C-O 3.47Å; F813-G867 WeakPolarHBondContact CA-O 3.08Å; F813-C869 WeakPolarHBondContact CB-SG 3.16Å |
| 814 | W | 90.2 | Very high | 86.1 | Confident | 33 Ų | 33 | 61.8 Ų | 61.8 | 13% | 0.125 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 118.4 | 176.4 | -64.2 | 106.7 | 0 | 0 | 0 | 111.3 | R799 C807 C810 A818 C819 G867 Q868 C869 | R799-W814 HydrophobicContact CB-CE3 4.14Å; R799-W814 HydrophobicContact CB-CH2 3.74Å; R799-W814 HydrophobicContact CB-CZ2 4.48Å; R799-W814 HydrophobicContact CB-CZ3 3.55Å; R799-W814 HydrophobicContact CG-CH2 4.01Å; R799-W814 HydrophobicContact CG-CZ2 4.32Å; R799-W814 HydrophobicContact CG-CZ3 4.24Å; C807-W814 HydrophobicContact CB-CH2 3.9Å; C810-W814 HydrophobicContact CB-CD2 4.07Å; C810-W814 HydrophobicContact CB-CE3 4.49Å; C810-W814 HydrophobicContact CB-CH2 4.05Å; C810-W814 HydrophobicContact CB-CZ2 3.58Å; C810-W814 HydrophobicContact CB-CZ3 4.47Å; W814-A818 CarbonylContact C-O 3.5Å; W814-A818 WeakPolarHBondContact CA-O 3.07Å; W814-C819 HydrophobicContact CE3-CB 4.07Å; W814-C819 HydrophobicContact CH2-CB 4.4Å; W814-C819 HydrophobicContact CZ3-CB 3.83Å; W814-G867 VanDerWaalsContact CD1-O 3.29Å; W814-G867 PolarHBondContact N-O 2.83Å; W814-Q868 HydrophobicContact CB-CG 4.33Å; W814-Q868 CarbonylContact O-C 3.6Å; W814-Q868 WeakPolarHBondContact O-CA 3.17Å; W814-C869 PolarHBondContact O-N 3.04Å |
| 815 | L | 89.1 | Confident | 86.1 | Confident | 14 Ų | 14 | 60 Ų | 60 | 7% | 0.073 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 110.5 | 171.5 | 179.8 | 66.9 | 0 | 0 | 0 | 108.7 | D817 A818 V820 P824 Q827 T828 C869 A871 | L815-D817 VanDerWaalsContact C-N 3.32Å; L815-D817 PolarHBondContact O-N 3.46Å; L815-A818 PolarHBondContact N-O 3.13Å; L815-A818 WeakPolarHBondContact O-CB 3.03Å; L815-A818 PolarHBondContact O-N 3.15Å; L815-V820 HydrophobicContact CB-CG1 4.49Å; L815-V820 HydrophobicContact CB-CG2 3.98Å; L815-P824 HydrophobicContact CD2-CG 3.69Å; L815-Q827 HydrophobicContact CD2-CB 4.44Å; L815-T828 HydrophobicContact CD1-CG2 4.09Å; L815-C869 HydrophobicContact CB-CB 4.1Å; L815-C869 HydrophobicContact CD1-CB 3.83Å; L815-A871 HydrophobicContact CD1-CB 3.73Å |
| 816 | R | 82.6 | Confident | 85.9 | Confident | 145 Ų | 145 | 60.2 Ų | 60.2 | 55% | 0.547 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 43.7 | 54.7 | -179.7 | -54.5 | -171.6 | -169.9 | 172.9 | 12.5 | 112.5 | A818 C872 E874 | R816-A818 VanDerWaalsContact C-N 3.25Å; R816-A818 PolarHBondContact O-N 2.88Å; R816-C872 PolarHBondContact NH2-O 2.79Å; R816-E874 IonicContact CZ-OE1 2.78Å; R816-E874 IonicContact NH1-OE1 2.64Å; R816-E874 PolarHBondContact NH1-OE1 2.94Å |
| 817 | D | 86.8 | Confident | 85.8 | Confident | 83 Ų | 83 | 65.3 Ų | 65.3 | 44% | 0.444 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.5 | 0.1 | -174.5 | -74.3 | -30.7 | 0 | 0 | 0 | 118.6 | L798 R799 L815 | L798-D817 WeakPolarHBondContact CA-O 3.27Å; R799-D817 HydrophobicContact CB-CB 4.25Å; R799-D817 WeakPolarHBondContact CD-OD1 3.44Å; R799-D817 IonicContact CZ-OD1 2.69Å; R799-D817 PolarHBondContact N-O 3.27Å; R799-D817 IonicContact NE-OD1 3.65Å; R799-D817 IonicContact NH1-OD1 3.77Å; R799-D817 PolarHBondContact NH1-OD1 3.14Å; L815-D817 VanDerWaalsContact C-N 3.32Å; L815-D817 PolarHBondContact O-N 3.46Å |
| 818 | A | 87.3 | Confident | 85.5 | Confident | 33 Ų | 33 | 65.3 Ų | 65.3 | 27% | 0.273 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 138.3 | 167.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L798 W814 L815 R816 | L798-A818 HydrophobicContact CD2-CB 4.24Å; W814-A818 CarbonylContact C-O 3.5Å; W814-A818 WeakPolarHBondContact CA-O 3.07Å; L815-A818 PolarHBondContact N-O 3.13Å; L815-A818 WeakPolarHBondContact O-CB 3.03Å; L815-A818 PolarHBondContact O-N 3.15Å; R816-A818 VanDerWaalsContact C-N 3.25Å; R816-A818 PolarHBondContact O-N 2.88Å |
| 819 | C | 90.1 | Very high | 85.3 | Confident | 1 Ų | 1 | 61.2 Ų | 61.2 | 1% | 0.007 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 115.5 | 173.3 | 175.2 | 0 | 0 | 0 | 0 | 111.1 | R788 L797 C810 F813 W814 | R788-C819 PolarHBondContact O-SG 2.04Å; L797-C819 HydrophobicContact CD2-CB 4.07Å; L797-C819 WeakPolarHBondContact CD2-O 3.02Å; L797-C819 VanDerWaalsContact O-CB 3.27Å; L797-C819 WeakPolarHBondContact O-CB 3.42Å; L797-C819 PolarHBondContact O-N 3.29Å; C810-C819 VanDerWaalsContact CA-SG 3.54Å; C810-C819 HydrophobicContact CB-CB 3.79Å; C810-C819 WeakPolarHBondContact CB-SG 3.38Å; C810-C819 WeakPolarHBondContact SG-CB 3.2Å; C810-C819 CovalentContact SG-SG 2.03Å; C810-C819 PolarHBondContact SG-SG 3.29Å; F813-C819 WeakPolarHBondContact O-CA 3.45Å; W814-C819 HydrophobicContact CE3-CB 4.07Å; W814-C819 HydrophobicContact CH2-CB 4.4Å; W814-C819 HydrophobicContact CZ3-CB 3.83Å |
| 820 | V | 87.3 | Confident | 84.7 | Confident | 25 Ų | 25 | 56.3 Ų | 56.3 | 15% | 0.152 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 139.1 | 177.9 | -62.5 | 0 | 0 | 0 | 0 | 110.1 | G812 F813 L815 H822 | G812-V820 CarbonylContact C-O 3.53Å; G812-V820 WeakPolarHBondContact CA-O 3.12Å; F813-V820 HydrophobicContact CB-CG2 4.47Å; F813-V820 PolarHBondContact N-O 2.55Å; F813-V820 WeakPolarHBondContact O-CG2 3.26Å; F813-V820 PolarHBondContact O-N 2.92Å; L815-V820 HydrophobicContact CB-CG1 4.49Å; L815-V820 HydrophobicContact CB-CG2 3.98Å; V820-H822 WeakPolarHBondContact CG2-O 3.47Å |
| 821 | E | 84.5 | Confident | 84 | Confident | 87 Ų | 87 | 58.1 Ų | 58.1 | 41% | 0.407 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -69.9 | -39.2 | -177.9 | 171.8 | -165 | 141.1 | 0 | 0 | 112.7 | R788 F813 | R788-E821 HydrophobicContact CG-CB 4.24Å; R788-E821 VanDerWaalsContact CZ-CB 3.49Å; R788-E821 IonicContact CZ-OE2 2.68Å; R788-E821 VanDerWaalsContact CZ-OE2 3.31Å; R788-E821 IonicContact NE-OE2 3.47Å; R788-E821 PolarHBondContact NE-OE2 3.45Å; R788-E821 IonicContact NH2-OE2 3.56Å; R788-E821 PolarHBondContact NH2-OE2 2.85Å; F813-E821 WeakPolarHBondContact CD2-O 3.25Å; F813-E821 WeakPolarHBondContact CE2-O 3.03Å |
| 822 | H | 84.4 | Confident | 83.3 | Confident | 133 Ų | 133 | 58.4 Ų | 58.4 | 62% | 0.616 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -125.4 | 140.9 | 172.3 | -61.7 | 107.7 | 0 | 0 | 0 | 108.2 | V820 P824 | V820-H822 WeakPolarHBondContact CG2-O 3.47Å; H822-P824 VanDerWaalsContact O-CD 3.29Å; H822-P824 WeakPolarHBondContact O-CD 3.41Å |
| 823 | C | 85.6 | Confident | 82.1 | Confident | 11 Ų | 11 | 60.1 Ų | 60.1 | 7% | 0.074 | 29% | 0.294 | C | S | . | . | trans | -69.5 | 112.4 | 173.5 | -70.2 | 0 | 0 | 0 | 0 | 109.4 | F813 V825 T828 R863 C869 | F813-C823 VanDerWaalsContact CB-SG 3.55Å; C823-V825 PolarHBondContact O-N 2.95Å; C823-T828 HydrophobicContact CB-CG2 3.96Å; C823-R863 HydrophobicContact CB-CB 3.66Å; C823-R863 PolarHBondContact SG-O 2.68Å; C823-R863 VanDerWaalsContact SG-O 3.33Å; C823-C869 WeakPolarHBondContact CA-SG 3.23Å; C823-C869 HydrophobicContact CB-CB 3.95Å; C823-C869 WeakPolarHBondContact CB-SG 3.3Å; C823-C869 WeakPolarHBondContact SG-CA 3Å; C823-C869 WeakPolarHBondContact SG-CB 3.42Å; C823-C869 CovalentContact SG-SG 2.05Å; C823-C869 PolarHBondContact SG-SG 2.81Å | ||
| 824 | P | 82 | Confident | 80.5 | Confident | 43 Ų | 43 | 64.4 Ų | 64.4 | 28% | 0.279 | 31% | 0.313 | S | S | . | . | trans | -65.9 | 134.3 | -170.3 | 25.9 | -34.2 | 0 | 0 | 0 | 111.2 | L815 H822 E826 Q827 T828 | L815-P824 HydrophobicContact CD2-CG 3.69Å; H822-P824 VanDerWaalsContact O-CD 3.29Å; H822-P824 WeakPolarHBondContact O-CD 3.41Å; P824-E826 VanDerWaalsContact C-N 3.27Å; P824-E826 PolarHBondContact O-N 2.78Å; P824-Q827 HydrophobicContact CG-CB 4.12Å; P824-Q827 HydrophobicContact CG-CG 4.35Å; P824-Q827 PolarHBondContact O-N 2.8Å; P824-Q827 VanDerWaalsContact O-N 3.14Å; P824-T828 WeakPolarHBondContact O-CB 3.33Å; P824-T828 PolarHBondContact O-N 3.47Å; P824-T828 VanDerWaalsContact O-N 3.14Å; P824-T828 PolarHBondContact O-OG1 2.92Å | ||
| 825 | V | 79 | Confident | 78.5 | Confident | 92 Ų | 92 | 67.2 Ų | 67.2 | 56% | 0.558 | 33% | 0.333 | S | S | * | . | G | 310 helix | trans | -59.7 | -38.1 | -172.3 | 175.2 | 0 | 0 | 0 | 0 | 112.1 | C823 Q827 T828 | C823-V825 PolarHBondContact O-N 2.95Å; V825-Q827 VanDerWaalsContact C-N 3.28Å; V825-Q827 PolarHBondContact O-N 2.84Å; V825-T828 VanDerWaalsContact O-O 3.1Å |
| 826 | E | 80.2 | Confident | 76.6 | Confident | 133 Ų | 133 | 74.1 Ų | 74.1 | 62% | 0.621 | 37% | 0.371 | S | S | * | . | G | 310 helix | trans | -74.8 | -10.5 | -178.2 | -67.8 | 163.2 | -149.1 | 0 | 0 | 114.7 | P824 G879 | P824-E826 VanDerWaalsContact C-N 3.27Å; P824-E826 PolarHBondContact O-N 2.78Å; E826-G879 VanDerWaalsContact O-CA 3.28Å; E826-G879 WeakPolarHBondContact O-CA 3.39Å; E826-G879 PolarHBondContact O-N 3.31Å |
| 827 | Q | 82.1 | Confident | 74.7 | Confident | 106 Ų | 106 | 76.7 Ų | 76.7 | 50% | 0.495 | 38% | 0.38 | S | S | . | . | G | 310 helix | trans | -128.2 | 8.5 | -177.9 | -46.8 | 178.8 | 2.1 | 0 | 0 | 112.6 | L815 P824 V825 A871 C872 | L815-Q827 HydrophobicContact CD2-CB 4.44Å; P824-Q827 HydrophobicContact CG-CB 4.12Å; P824-Q827 HydrophobicContact CG-CG 4.35Å; P824-Q827 PolarHBondContact O-N 2.8Å; P824-Q827 VanDerWaalsContact O-N 3.14Å; V825-Q827 VanDerWaalsContact C-N 3.28Å; V825-Q827 PolarHBondContact O-N 2.84Å; Q827-A871 WeakPolarHBondContact O-CA 3.19Å; Q827-C872 PolarHBondContact O-N 3.46Å |
| 828 | T | 84.1 | Confident | 72.5 | Confident | 0 Ų | 0 | 80.2 Ų | 80.2 | 0% | 0 | 40% | 0.399 | C | S | . | . | B | Isolated β-bridge | trans | -141.4 | 160.4 | -179.3 | 63.8 | 0 | 0 | 0 | 0 | 112.6 | L815 C823 P824 V825 R863 C869 L870 C872 | L815-T828 HydrophobicContact CD1-CG2 4.09Å; C823-T828 HydrophobicContact CB-CG2 3.96Å; P824-T828 WeakPolarHBondContact O-CB 3.33Å; P824-T828 PolarHBondContact O-N 3.47Å; P824-T828 VanDerWaalsContact O-N 3.14Å; P824-T828 PolarHBondContact O-OG1 2.92Å; V825-T828 VanDerWaalsContact O-O 3.1Å; T828-R863 PolarHBondContact O-NH1 3.45Å; T828-R863 PolarHBondContact OG1-NH1 3.46Å; T828-C869 HydrophobicContact CG2-CB 3.87Å; T828-L870 CarbonylContact C-O 3.55Å; T828-L870 WeakPolarHBondContact CA-O 3.25Å; T828-L870 WeakPolarHBondContact CB-O 3.07Å; T828-C872 PolarHBondContact N-SG 3.26Å |
| 829 | Y | 83.6 | Confident | 70.1 | Confident | 33 Ų | 33 | 85.2 Ų | 85.2 | 13% | 0.129 | 43% | 0.426 | C | S | . | . | trans | -111.4 | 174.4 | 167.4 | 61.7 | -85.5 | 0 | 0 | 0 | 111.1 | I831 R863 L870 A871 W881 G882 P883 | Y829-I831 HydrophobicContact CD2-CG2 3.97Å; Y829-I831 HydrophobicContact CE2-CG2 3.76Å; Y829-R863 WeakPolarHBondContact O-CA 3.49Å; Y829-R863 WeakPolarHBondContact O-CG 3.36Å; Y829-L870 HydrophobicContact CD1-CB 4.04Å; Y829-L870 WeakPolarHBondContact CD1-O 3.22Å; Y829-L870 HydrophobicContact CD2-CB 4.09Å; Y829-L870 HydrophobicContact CD2-CD1 4.29Å; Y829-L870 HydrophobicContact CE1-CB 3.76Å; Y829-L870 WeakPolarHBondContact CE1-O 3.43Å; Y829-L870 HydrophobicContact CE2-CB 3.82Å; Y829-L870 HydrophobicContact CE2-CD1 3.93Å; Y829-L870 HydrophobicContact CE2-CD2 4.34Å; Y829-L870 HydrophobicContact CE2-CG 4.24Å; Y829-L870 HydrophobicContact CG-CB 4.19Å; Y829-L870 PolarHBondContact N-O 2.81Å; Y829-A871 WeakPolarHBondContact CE1-O 3.48Å; Y829-W881 VanDerWaalsContact CB-C 3.45Å; Y829-G882 WeakPolarHBondContact CD1-O 3.47Å; Y829-G882 VanDerWaalsContact CG-CA 3.46Å; Y829-P883 HydrophobicContact CE1-CB 3.64Å; Y829-P883 HydrophobicContact CE1-CG 4.2Å; Y829-P883 VanDerWaalsContact CZ-CD 3.47Å | ||
| 830 | A | 74.9 | Confident | 67.5 | Low | 20 Ų | 20 | 91.4 Ų | 91.4 | 17% | 0.165 | 47% | 0.466 | C | S | . | . | trans | -123.7 | 147.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y861 V862 R863 | A830-Y861 HydrophobicContact CB-CD1 4.33Å; A830-V862 CarbonylContact C-O 3.58Å; A830-V862 WeakPolarHBondContact CA-O 3.45Å; A830-R863 HydrophobicContact CB-CG 3.78Å | ||
| 831 | I | 71.7 | Confident | 64.8 | Low | 56 Ų | 56 | 93.5 Ų | 93.5 | 29% | 0.287 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 154.5 | 173.9 | 64.5 | 179.7 | 0 | 0 | 0 | 110.9 | Y829 I833 Y861 V862 L865 L870 | Y829-I831 HydrophobicContact CD2-CG2 3.97Å; Y829-I831 HydrophobicContact CE2-CG2 3.76Å; I831-I833 HydrophobicContact CD1-CD1 4.5Å; I831-I833 HydrophobicContact CG1-CG1 4.47Å; I831-Y861 CarbonylContact O-C 3.46Å; I831-Y861 WeakPolarHBondContact O-CA 3.37Å; I831-V862 HydrophobicContact CD1-CG2 4.49Å; I831-V862 HydrophobicContact CG1-CG2 3.83Å; I831-V862 PolarHBondContact N-O 3.32Å; I831-V862 PolarHBondContact O-N 3.4Å; I831-L865 HydrophobicContact CD1-CD1 3.88Å; I831-L865 HydrophobicContact CD1-CD2 4.08Å; I831-L865 HydrophobicContact CD1-CG 3.99Å; I831-L870 HydrophobicContact CB-CD1 4.39Å; I831-L870 HydrophobicContact CD1-CD1 3.77Å; I831-L870 HydrophobicContact CG1-CD1 3.67Å; I831-L870 HydrophobicContact CG2-CD1 4.05Å |
| 832 | W | 70.5 | Confident | 62.1 | Low | 108 Ų | 108 | 97 Ų | 97 | 41% | 0.409 | 52% | 0.515 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 124.2 | -177.4 | -178.6 | -97.4 | 0 | 0 | 0 | 112.1 | G859 Y861 | W832-G859 VanDerWaalsContact CZ2-CA 3.5Å; W832-Y861 HydrophobicContact CB-CD1 4.38Å; W832-Y861 HydrophobicContact CB-CE1 4.26Å; W832-Y861 HydrophobicContact CE3-CD1 4.08Å; W832-Y861 AromaticContact CE3-CD2 3.53Å; W832-Y861 HydrophobicContact CE3-CD2 3.53Å; W832-Y861 HydrophobicContact CE3-CE1 4.07Å; W832-Y861 AromaticContact CE3-CE2 3.5Å; W832-Y861 HydrophobicContact CE3-CE2 3.5Å; W832-Y861 AromaticContact CE3-CG 3.82Å; W832-Y861 HydrophobicContact CE3-CG 3.82Å; W832-Y861 AromaticContact CE3-CZ 3.79Å; W832-Y861 AromaticContact CZ3-CD2 3.62Å; W832-Y861 HydrophobicContact CZ3-CD2 3.62Å; W832-Y861 AromaticContact CZ3-CE2 3.6Å; W832-Y861 HydrophobicContact CZ3-CE2 3.6Å; W832-Y861 HydrophobicContact CZ3-CG 4.32Å |
| 833 | I | 58.8 | Low | 59.4 | Low | 63 Ų | 63 | 95.6 Ų | 95.6 | 32% | 0.323 | 52% | 0.52 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 126.2 | 179.7 | -60.4 | -175.4 | 0 | 0 | 0 | 111.1 | I831 G859 I860 V862 L865 | I831-I833 HydrophobicContact CD1-CD1 4.5Å; I831-I833 HydrophobicContact CG1-CG1 4.47Å; I833-G859 CarbonylContact O-C 3.59Å; I833-G859 WeakPolarHBondContact O-CA 3.48Å; I833-I860 PolarHBondContact N-O 3.28Å; I833-I860 PolarHBondContact O-N 3.48Å; I833-V862 HydrophobicContact CD1-CG2 3.48Å; I833-V862 VanDerWaalsContact CD1-CG2 3.48Å; I833-V862 HydrophobicContact CG1-CG2 3.95Å; I833-L865 HydrophobicContact CD1-CD2 3.78Å |
| 834 | K | 55.7 | Low | 56.6 | Low | 134 Ų | 134 | 100.5 Ų | 100.5 | 58% | 0.583 | 55% | 0.554 | S | S | * | * | trans | -75.6 | 139.7 | 167.6 | -66.1 | -176.7 | 179.4 | -178.9 | 0 | 109.9 | ||||
| 835 | T | 49.3 | Very low | 54.1 | Low | 91 Ų | 91 | 107.5 Ų | 107.5 | 56% | 0.558 | 58% | 0.583 | S | S | * | * | trans | -115.4 | 150.1 | 176.4 | 61.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 836 | N | 47.2 | Very low | 51.7 | Low | 160 Ų | 160 | 109.4 Ų | 109.4 | 86% | 0.856 | 59% | 0.59 | S | S | * | * | trans | -139 | 138.5 | -174.3 | -158.3 | -4.1 | 0 | 0 | 0 | 109.4 | ||||
| 837 | R | 43 | Very low | 49.3 | Very low | 198 Ų | 198 | 110.2 Ų | 110.2 | 75% | 0.747 | 59% | 0.593 | S | S | * | * | trans | -125 | 108.2 | -170.5 | -68.9 | -173.8 | -178 | -169.4 | 0.3 | 112.1 | ||||
| 838 | N | 41.1 | Very low | 47 | Very low | 158 Ų | 158 | 111.7 Ų | 111.7 | 85% | 0.845 | 60% | 0.604 | S | S | * | * | trans | -163.8 | 170.8 | 164.8 | -96.7 | -41.4 | 0 | 0 | 0 | 110.5 | ||||
| 839 | V | 37.8 | Very low | 44.4 | Very low | 137 Ų | 137 | 118.7 Ų | 118.7 | 83% | 0.83 | 64% | 0.641 | S | S | * | * | trans | 78.4 | 116.3 | 177.7 | -171.3 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 840 | P | 34.7 | Very low | 42.5 | Very low | 131 Ų | 131 | 122 Ų | 122 | 85% | 0.851 | 66% | 0.661 | S | S | * | * | trans | -116 | 136.6 | 164.8 | 36.5 | -25.1 | 0 | 0 | 0 | 113.5 | ||||
| 841 | G | 30.4 | Very low | 40.6 | Very low | 70 Ų | 70 | 129.7 Ų | 129.7 | 72% | 0.722 | 69% | 0.691 | S | S | * | * | trans | 131.4 | 139.4 | 157 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 842 | N | 29 | Very low | 38.8 | Very low | 161 Ų | 161 | 135 Ų | 135 | 86% | 0.861 | 72% | 0.719 | S | S | * | * | trans | 66.9 | 152.6 | 168.7 | -70.6 | -11.7 | 0 | 0 | 0 | 120 | ||||
| 843 | S | 27.7 | Very low | 37.1 | Very low | 103 Ų | 103 | 134 Ų | 134 | 72% | 0.72 | 73% | 0.73 | S | S | * | * | S | Bend | trans | 48.3 | 98.4 | 164.5 | 47.5 | 0 | 0 | 0 | 0 | 118.9 | E845 | S843-E845 PolarHBondContact O-N 3.1Š|
| 844 | S | 25.4 | Very low | 35.8 | Very low | 114 Ų | 114 | 139 Ų | 139 | 80% | 0.797 | 76% | 0.757 | S | S | * | * | trans | 40.4 | 79.2 | 130.3 | 61.6 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 845 | E | 30.1 | Very low | 35 | Very low | 189 Ų | 189 | 139.8 Ų | 139.8 | 88% | 0.883 | 77% | 0.766 | S | S | * | * | trans | -154.9 | 162.7 | 153.8 | -123.6 | 154.1 | -141.7 | 0 | 0 | 112.7 | S843 | S843-E845 PolarHBondContact O-N 3.1Š| ||
| 846 | N | 27.4 | Very low | 34.5 | Very low | 132 Ų | 132 | 144.6 Ų | 144.6 | 71% | 0.706 | 78% | 0.78 | S | S | * | * | trans | -78.7 | 132.9 | 173.3 | -55.2 | -85.7 | 0 | 0 | 0 | 108.8 | ||||
| 847 | H | 31.6 | Very low | 34.1 | Very low | 150 Ų | 150 | 146.1 Ų | 146.1 | 69% | 0.694 | 78% | 0.775 | S | S | * | * | trans | -168.7 | 136.3 | 143.7 | -94.6 | -58.8 | 0 | 0 | 0 | 113.2 | N849 | H847-N849 PolarHBondContact O-N 2.81Š| ||
| 848 | L | 33.1 | Very low | 34.4 | Very low | 138 Ų | 138 | 143.6 Ų | 143.6 | 72% | 0.723 | 78% | 0.776 | S | S | * | * | trans | 25.7 | 86.2 | 147.9 | -66.9 | 158.6 | 0 | 0 | 0 | 118.6 | L850 | L848-L850 HydrophobicContact CB-CD1 4.39Å; L848-L850 PolarHBondContact O-N 3.25Å | ||
| 849 | N | 30.2 | Very low | 35 | Very low | 146 Ų | 146 | 136.5 Ų | 136.5 | 78% | 0.781 | 74% | 0.74 | S | S | * | * | trans | -95.7 | 80.5 | 171.1 | -146 | -30.1 | 0 | 0 | 0 | 110.8 | H847 K851 | H847-N849 PolarHBondContact O-N 2.81Å; N849-K851 PolarHBondContact O-N 2.81Å | ||
| 850 | L | 42.9 | Very low | 35.7 | Very low | 104 Ų | 104 | 132.9 Ų | 132.9 | 55% | 0.545 | 72% | 0.716 | S | S | . | * | trans | -65 | 120.2 | 170.2 | -85.4 | 74.1 | 0 | 0 | 0 | 109 | L848 | L848-L850 HydrophobicContact CB-CD1 4.39Å; L848-L850 PolarHBondContact O-N 3.25Å | ||
| 851 | K | 34.4 | Very low | 37.2 | Very low | 180 Ų | 180 | 132 Ų | 132 | 78% | 0.783 | 70% | 0.696 | S | S | * | * | trans | -125.9 | -13.8 | 178.9 | -124.9 | -177.6 | -179.4 | -173.8 | 0 | 117.2 | N849 | N849-K851 PolarHBondContact O-N 2.81Š| ||
| 852 | D | 33.8 | Very low | 39 | Very low | 167 Ų | 167 | 129.6 Ų | 129.6 | 89% | 0.893 | 67% | 0.668 | S | S | * | * | trans | -83 | 129.5 | 161.1 | -86.7 | -58.9 | 0 | 0 | 0 | 110.6 | ||||
| 853 | S | 35 | Very low | 41.6 | Very low | 89 Ų | 89 | 125.3 Ų | 125.3 | 62% | 0.622 | 64% | 0.639 | S | S | * | * | trans | -130.2 | 92.3 | -160.8 | -64.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 854 | N | 32.5 | Very low | 44.1 | Very low | 168 Ų | 168 | 122.8 Ų | 122.8 | 90% | 0.898 | 62% | 0.616 | S | S | * | * | trans | -160.1 | 18.4 | 159 | -102.6 | -28.2 | 0 | 0 | 0 | 115.3 | K856 | N854-K856 PolarHBondContact O-N 2.79Š| ||
| 855 | L | 37.8 | Very low | 46.6 | Very low | 149 Ų | 149 | 121 Ų | 121 | 78% | 0.78 | 60% | 0.597 | S | S | * | * | trans | -76.2 | 120.1 | 173.1 | -89.4 | 162.6 | 0 | 0 | 0 | 111.1 | ||||
| 856 | K | 38.4 | Very low | 48.8 | Very low | 192 Ų | 192 | 118.9 Ų | 118.9 | 84% | 0.835 | 59% | 0.592 | S | S | * | * | trans | -113.5 | 25.2 | -173.9 | -153.5 | -177.7 | 179.2 | -178.6 | 0 | 113.8 | N854 | N854-K856 PolarHBondContact O-N 2.79Š| ||
| 857 | Y | 40.5 | Very low | 51.1 | Low | 192 Ų | 192 | 113.8 Ų | 113.8 | 75% | 0.753 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -124.1 | 137.4 | 177 | -78.2 | -80.7 | 0 | 0 | 0 | 111 | G859 | Y857-G859 PolarHBondContact O-N 2.66Š|
| 858 | N | 48.9 | Very low | 53.6 | Low | 146 Ų | 146 | 111.9 Ų | 111.9 | 78% | 0.781 | 56% | 0.562 | S | S | * | * | S | Bend | trans | -82.2 | 36.5 | -169.6 | -75.9 | -8.3 | 0 | 0 | 0 | 114.5 | ||
| 859 | G | 53.5 | Low | 56.2 | Low | 9 Ų | 9 | 106 Ų | 106 | 9% | 0.093 | 53% | 0.532 | C | S | . | . | trans | -173.2 | 158.3 | 173 | 0 | 0 | 0 | 0 | 0 | 111.9 | W832 I833 Y857 | W832-G859 VanDerWaalsContact CZ2-CA 3.5Å; I833-G859 CarbonylContact O-C 3.59Å; I833-G859 WeakPolarHBondContact O-CA 3.48Å; Y857-G859 PolarHBondContact O-N 2.66Å | ||
| 860 | I | 51.8 | Low | 58.9 | Low | 60 Ų | 60 | 99.8 Ų | 99.8 | 31% | 0.308 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 129.1 | -177 | -55.5 | 178.5 | 0 | 0 | 0 | 108.4 | I833 V862 | I833-I860 PolarHBondContact N-O 3.28Å; I833-I860 PolarHBondContact O-N 3.48Å; I860-V862 HydrophobicContact CG2-CG1 3.96Å; I860-V862 PolarHBondContact O-N 2.77Å |
| 861 | Y | 67.9 | Low | 60.9 | Low | 112 Ų | 112 | 96.2 Ų | 96.2 | 44% | 0.439 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 116.5 | 163.7 | -79.1 | -71.8 | 0 | 0 | 0 | 109.2 | A830 I831 W832 H929 | A830-Y861 HydrophobicContact CB-CD1 4.33Å; I831-Y861 CarbonylContact O-C 3.46Å; I831-Y861 WeakPolarHBondContact O-CA 3.37Å; W832-Y861 HydrophobicContact CB-CD1 4.38Å; W832-Y861 HydrophobicContact CB-CE1 4.26Å; W832-Y861 HydrophobicContact CE3-CD1 4.08Å; W832-Y861 AromaticContact CE3-CD2 3.53Å; W832-Y861 HydrophobicContact CE3-CD2 3.53Å; W832-Y861 HydrophobicContact CE3-CE1 4.07Å; W832-Y861 AromaticContact CE3-CE2 3.5Å; W832-Y861 HydrophobicContact CE3-CE2 3.5Å; W832-Y861 AromaticContact CE3-CG 3.82Å; W832-Y861 HydrophobicContact CE3-CG 3.82Å; W832-Y861 AromaticContact CE3-CZ 3.79Å; W832-Y861 AromaticContact CZ3-CD2 3.62Å; W832-Y861 HydrophobicContact CZ3-CD2 3.62Å; W832-Y861 AromaticContact CZ3-CE2 3.6Å; W832-Y861 HydrophobicContact CZ3-CE2 3.6Å; W832-Y861 HydrophobicContact CZ3-CG 4.32Å; Y861-H929 AromaticContact CE1-NE2 3.96Å |
| 862 | V | 67.6 | Low | 63.4 | Low | 21 Ų | 21 | 88 Ų | 88 | 13% | 0.127 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 136.4 | 175.1 | -63.6 | 0 | 0 | 0 | 0 | 110.8 | A830 I831 I833 I860 H864 | A830-V862 CarbonylContact C-O 3.58Å; A830-V862 WeakPolarHBondContact CA-O 3.45Å; I831-V862 HydrophobicContact CD1-CG2 4.49Å; I831-V862 HydrophobicContact CG1-CG2 3.83Å; I831-V862 PolarHBondContact N-O 3.32Å; I831-V862 PolarHBondContact O-N 3.4Å; I833-V862 HydrophobicContact CD1-CG2 3.48Å; I833-V862 VanDerWaalsContact CD1-CG2 3.48Å; I833-V862 HydrophobicContact CG1-CG2 3.95Å; I860-V862 HydrophobicContact CG2-CG1 3.96Å; I860-V862 PolarHBondContact O-N 2.77Å; V862-H864 VanDerWaalsContact C-N 3.28Å; V862-H864 WeakPolarHBondContact CG2-O 3.01Å |
| 863 | R | 82.7 | Confident | 65.8 | Low | 71 Ų | 71 | 83.4 Ų | 83.4 | 27% | 0.268 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -92.1 | 14 | 171.8 | -68.5 | -179.1 | 162.4 | -86.3 | -6.8 | 112.6 | C823 T828 Y829 A830 C869 L870 | C823-R863 HydrophobicContact CB-CB 3.66Å; C823-R863 PolarHBondContact SG-O 2.68Å; C823-R863 VanDerWaalsContact SG-O 3.33Å; T828-R863 PolarHBondContact O-NH1 3.45Å; T828-R863 PolarHBondContact OG1-NH1 3.46Å; Y829-R863 WeakPolarHBondContact O-CA 3.49Å; Y829-R863 WeakPolarHBondContact O-CG 3.36Å; A830-R863 HydrophobicContact CB-CG 3.78Å; R863-C869 WeakPolarHBondContact O-CA 3.45Å; R863-L870 PolarHBondContact O-N 3.3Å |
| 864 | H | 80.4 | Confident | 68.3 | Low | 49 Ų | 49 | 85.1 Ų | 85.1 | 23% | 0.227 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 152.1 | -174.1 | 59.4 | 68 | 0 | 0 | 0 | 112.5 | F813 V862 Q868 | F813-H864 HydrophobicContact CD1-CB 3.69Å; F813-H864 AromaticContact CD1-CD2 3.56Å; F813-H864 AromaticContact CD1-CG 3.53Å; F813-H864 HydrophobicContact CE1-CB 4.1Å; F813-H864 AromaticContact CE1-CD2 3.08Å; F813-H864 WeakPolarHBondContact CE1-CD2 3.22Å; F813-H864 AromaticContact CE1-CE1 3.8Å; F813-H864 AromaticContact CE1-CG 3.4Å; F813-H864 AromaticContact CE1-ND1 3.83Å; F813-H864 AromaticContact CE1-NE2 3.37Å; F813-H864 WeakPolarHBondContact CE1-NE2 3.42Å; F813-H864 AromaticContact CE2-CD2 3.92Å; F813-H864 HydrophobicContact CG-CB 4.2Å; F813-H864 AromaticContact CZ-CD2 3.28Å; F813-H864 WeakPolarHBondContact CZ-CD2 3.41Å; F813-H864 AromaticContact CZ-NE2 3.46Å; F813-H864 WeakPolarHBondContact CZ-NE2 3.01Å; V862-H864 VanDerWaalsContact C-N 3.28Å; V862-H864 WeakPolarHBondContact CG2-O 3.01Å; H864-Q868 CarbonylContact C-O 3.6Å; H864-Q868 WeakPolarHBondContact CA-O 3.34Å; H864-Q868 VanDerWaalsContact CB-O 3.23Å; H864-Q868 WeakPolarHBondContact CB-O 3.23Å |
| 865 | L | 78.3 | Confident | 70.8 | Confident | 77 Ų | 77 | 78.6 Ų | 78.6 | 40% | 0.403 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 135.4 | 165.4 | -75.8 | 175.9 | 0 | 0 | 0 | 109.1 | I831 I833 G867 Q868 L870 | I831-L865 HydrophobicContact CD1-CD1 3.88Å; I831-L865 HydrophobicContact CD1-CD2 4.08Å; I831-L865 HydrophobicContact CD1-CG 3.99Å; I833-L865 HydrophobicContact CD1-CD2 3.78Å; L865-G867 PolarHBondContact O-N 3.27Å; L865-Q868 PolarHBondContact N-O 3.06Å; L865-Q868 PolarHBondContact O-N 3.21Å; L865-L870 HydrophobicContact CB-CD2 4.41Å; L865-L870 HydrophobicContact CD1-CD2 4.07Å; L865-L870 HydrophobicContact CG-CD2 4.09Å |
| 866 | N | 75.6 | Confident | 72.9 | Confident | 145 Ų | 145 | 72.3 Ų | 72.3 | 78% | 0.775 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.7 | 34.1 | 177.3 | -63.8 | -15.3 | 0 | 0 | 0 | 115.5 | ||
| 867 | G | 77 | Confident | 74.8 | Confident | 24 Ų | 24 | 68.4 Ų | 68.4 | 25% | 0.247 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.1 | 11.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | F813 W814 L865 | F813-G867 CarbonylContact C-O 3.47Å; F813-G867 WeakPolarHBondContact CA-O 3.08Å; W814-G867 VanDerWaalsContact CD1-O 3.29Å; W814-G867 PolarHBondContact N-O 2.83Å; L865-G867 PolarHBondContact O-N 3.27Å |
| 868 | Q | 83.2 | Confident | 76.2 | Confident | 110 Ų | 110 | 61 Ų | 61 | 51% | 0.514 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 135.5 | 170 | -61.4 | 178.9 | -85.2 | 0 | 0 | 109.7 | W814 H864 L865 | W814-Q868 HydrophobicContact CB-CG 4.33Å; W814-Q868 CarbonylContact O-C 3.6Å; W814-Q868 WeakPolarHBondContact O-CA 3.17Å; H864-Q868 CarbonylContact C-O 3.6Å; H864-Q868 WeakPolarHBondContact CA-O 3.34Å; H864-Q868 VanDerWaalsContact CB-O 3.23Å; H864-Q868 WeakPolarHBondContact CB-O 3.23Å; L865-Q868 PolarHBondContact N-O 3.06Å; L865-Q868 PolarHBondContact O-N 3.21Å |
| 869 | C | 87.5 | Confident | 77.2 | Confident | 14 Ų | 14 | 54 Ų | 54 | 10% | 0.095 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 143.1 | 174.6 | -70.7 | 0 | 0 | 0 | 0 | 111.6 | F813 W814 L815 C823 T828 R863 A871 | F813-C869 WeakPolarHBondContact CB-SG 3.16Å; W814-C869 PolarHBondContact O-N 3.04Å; L815-C869 HydrophobicContact CB-CB 4.1Å; L815-C869 HydrophobicContact CD1-CB 3.83Å; C823-C869 WeakPolarHBondContact CA-SG 3.23Å; C823-C869 HydrophobicContact CB-CB 3.95Å; C823-C869 WeakPolarHBondContact CB-SG 3.3Å; C823-C869 WeakPolarHBondContact SG-CA 3Å; C823-C869 WeakPolarHBondContact SG-CB 3.42Å; C823-C869 CovalentContact SG-SG 2.05Å; C823-C869 PolarHBondContact SG-SG 2.81Å; T828-C869 HydrophobicContact CG2-CB 3.87Å; R863-C869 WeakPolarHBondContact O-CA 3.45Å; C869-A871 VanDerWaalsContact C-N 3.29Å; C869-A871 PolarHBondContact O-N 2.97Å |
| 870 | L | 87.1 | Confident | 78.6 | Confident | 16 Ų | 16 | 54 Ų | 54 | 8% | 0.084 | 28% | 0.277 | C | S | . | . | trans | -78.4 | 78.9 | 173.9 | -65.2 | 177.3 | 0 | 0 | 0 | 109.2 | T828 Y829 I831 R863 L865 | T828-L870 CarbonylContact C-O 3.55Å; T828-L870 WeakPolarHBondContact CA-O 3.25Å; T828-L870 WeakPolarHBondContact CB-O 3.07Å; Y829-L870 HydrophobicContact CD1-CB 4.04Å; Y829-L870 WeakPolarHBondContact CD1-O 3.22Å; Y829-L870 HydrophobicContact CD2-CB 4.09Å; Y829-L870 HydrophobicContact CD2-CD1 4.29Å; Y829-L870 HydrophobicContact CE1-CB 3.76Å; Y829-L870 WeakPolarHBondContact CE1-O 3.43Å; Y829-L870 HydrophobicContact CE2-CB 3.82Å; Y829-L870 HydrophobicContact CE2-CD1 3.93Å; Y829-L870 HydrophobicContact CE2-CD2 4.34Å; Y829-L870 HydrophobicContact CE2-CG 4.24Å; Y829-L870 HydrophobicContact CG-CB 4.19Å; Y829-L870 PolarHBondContact N-O 2.81Å; I831-L870 HydrophobicContact CB-CD1 4.39Å; I831-L870 HydrophobicContact CD1-CD1 3.77Å; I831-L870 HydrophobicContact CG1-CD1 3.67Å; I831-L870 HydrophobicContact CG2-CD1 4.05Å; R863-L870 PolarHBondContact O-N 3.3Å; L865-L870 HydrophobicContact CB-CD2 4.41Å; L865-L870 HydrophobicContact CD1-CD2 4.07Å; L865-L870 HydrophobicContact CG-CD2 4.09Å | ||
| 871 | A | 85.1 | Confident | 79.8 | Confident | 30 Ų | 30 | 54.1 Ų | 54.1 | 25% | 0.248 | 27% | 0.274 | C | S | . | . | B | Isolated β-bridge | trans | -66.5 | 142.4 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113 | L815 Q827 Y829 C869 | L815-A871 HydrophobicContact CD1-CB 3.73Å; Q827-A871 WeakPolarHBondContact O-CA 3.19Å; Y829-A871 WeakPolarHBondContact CE1-O 3.48Å; C869-A871 VanDerWaalsContact C-N 3.29Å; C869-A871 PolarHBondContact O-N 2.97Å |
| 872 | C | 86.3 | Confident | 80.1 | Confident | 7 Ų | 7 | 49 Ų | 49 | 5% | 0.047 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -64.1 | 156.9 | 168.1 | -59.4 | 0 | 0 | 0 | 0 | 111.8 | R816 Q827 T828 C876 C880 | R816-C872 PolarHBondContact NH2-O 2.79Å; Q827-C872 PolarHBondContact O-N 3.46Å; T828-C872 PolarHBondContact N-SG 3.26Å; C872-C876 HydrophobicContact CB-CB 3.81Å; C872-C880 WeakPolarHBondContact CA-SG 3.47Å; C872-C880 HydrophobicContact CB-CB 3.76Å; C872-C880 WeakPolarHBondContact CB-SG 3.38Å; C872-C880 WeakPolarHBondContact SG-CB 3.36Å; C872-C880 PolarHBondContact SG-N 3.11Å; C872-C880 CovalentContact SG-SG 2.02Å; C872-C880 PolarHBondContact SG-SG 3.29Å |
| 873 | H | 85.3 | Confident | 80.6 | Confident | 70 Ų | 70 | 51.3 Ų | 51.3 | 32% | 0.324 | 27% | 0.27 | S | S | . | . | P | Polyproline II helix | trans | -55.7 | 152 | 167.7 | -166.4 | -111.2 | 0 | 0 | 0 | 111.4 | Q875 C876 | H873-Q875 PolarHBondContact ND1-N 3.11Å; H873-Q875 PolarHBondContact O-N 2.97Å; H873-Q875 VanDerWaalsContact O-N 3.14Å; H873-C876 WeakPolarHBondContact O-CB 3.43Å; H873-C876 PolarHBondContact O-N 2.93Å |
| 874 | E | 86.4 | Confident | 80.3 | Confident | 125 Ų | 125 | 48.5 Ų | 48.5 | 58% | 0.584 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -7.8 | -176.6 | -52.3 | -152.2 | 125.2 | 0 | 0 | 114 | R816 L892 | R816-E874 IonicContact CZ-OE1 2.78Å; R816-E874 IonicContact NH1-OE1 2.64Å; R816-E874 PolarHBondContact NH1-OE1 2.94Å; E874-L892 VanDerWaalsContact O-CD2 3.31Å; E874-L892 WeakPolarHBondContact O-CD2 3.24Å |
| 875 | Q | 85.4 | Confident | 80.3 | Confident | 31 Ų | 31 | 47.5 Ų | 47.5 | 15% | 0.145 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | 1.3 | 172.1 | -57.8 | -58.9 | -53.9 | 0 | 0 | 113.5 | H873 L892 N893 C937 | H873-Q875 PolarHBondContact ND1-N 3.11Å; H873-Q875 PolarHBondContact O-N 2.97Å; H873-Q875 VanDerWaalsContact O-N 3.14Å; Q875-L892 WeakPolarHBondContact O-CB 3.4Å; Q875-L892 PolarHBondContact O-N 3.23Å; Q875-N893 PolarHBondContact OE1-ND2 2.86Å; Q875-C937 HydrophobicContact CB-CB 3.89Å; Q875-C937 WeakPolarHBondContact CB-O 3.48Å |
| 876 | C | 81.4 | Confident | 80.2 | Confident | 18 Ų | 18 | 45.1 Ų | 45.1 | 12% | 0.122 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 140.7 | 174.6 | -56.6 | 0 | 0 | 0 | 0 | 111.7 | C872 H873 C888 | C872-C876 HydrophobicContact CB-CB 3.81Å; H873-C876 WeakPolarHBondContact O-CB 3.43Å; H873-C876 PolarHBondContact O-N 2.93Å; C876-C888 WeakPolarHBondContact CA-SG 3.22Å; C876-C888 HydrophobicContact CB-CB 3.5Å; C876-C888 VanDerWaalsContact CB-CB 3.5Å; C876-C888 WeakPolarHBondContact CB-SG 3.49Å; C876-C888 VanDerWaalsContact SG-CA 3.51Å; C876-C888 WeakPolarHBondContact SG-CB 3.17Å; C876-C888 CovalentContact SG-SG 2.03Å; C876-C888 PolarHBondContact SG-SG 2.84Å |
| 877 | H | 78.1 | Confident | 80.2 | Confident | 110 Ų | 110 | 40.6 Ų | 40.6 | 51% | 0.509 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 150.4 | 168.5 | -173.9 | -105.5 | 0 | 0 | 0 | 109.9 | G879 H890 L892 | H877-G879 PolarHBondContact O-N 2.87Å; H877-H890 HydrophobicContact CB-CB 4.24Å; H877-H890 PolarHBondContact N-O 3.19Å; H877-H890 WeakPolarHBondContact O-CB 3.23Å; H877-H890 PolarHBondContact O-N 3.03Å; H877-L892 HydrophobicContact CB-CB 4.49Å; H877-L892 HydrophobicContact CB-CD1 4.48Å |
| 878 | A | 71.7 | Confident | 80.1 | Confident | 36 Ų | 36 | 39.4 Ų | 39.4 | 30% | 0.298 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 48.1 | 34.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | N889 | A878-N889 WeakPolarHBondContact O-CB 3.4Å; A878-N889 PolarHBondContact O-ND2 2.04Å |
| 879 | G | 69.3 | Low | 79.8 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 110.5 | 176.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | E826 H877 N889 | E826-G879 VanDerWaalsContact O-CA 3.28Å; E826-G879 WeakPolarHBondContact O-CA 3.39Å; E826-G879 PolarHBondContact O-N 3.31Å; H877-G879 PolarHBondContact O-N 2.87Å; G879-N889 VanDerWaalsContact C-CG 3.48Å; G879-N889 WeakPolarHBondContact CA-ND2 3.4Å; G879-N889 WeakPolarHBondContact O-CB 3.42Å; G879-N889 PolarHBondContact O-N 2.82Å |
| 880 | C | 82.1 | Confident | 79.2 | Confident | 7 Ų | 7 | 40.6 Ų | 40.6 | 5% | 0.047 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.4 | 158.9 | 178.5 | 59.9 | 0 | 0 | 0 | 0 | 110.8 | C872 G882 Q887 | C872-C880 WeakPolarHBondContact CA-SG 3.47Å; C872-C880 HydrophobicContact CB-CB 3.76Å; C872-C880 WeakPolarHBondContact CB-SG 3.38Å; C872-C880 WeakPolarHBondContact SG-CB 3.36Å; C872-C880 PolarHBondContact SG-N 3.11Å; C872-C880 CovalentContact SG-SG 2.02Å; C872-C880 PolarHBondContact SG-SG 3.29Å; C880-G882 PolarHBondContact SG-O 2.93Å; C880-Q887 CarbonylContact C-O 3.47Å; C880-Q887 WeakPolarHBondContact CA-O 3.41Å; C880-Q887 WeakPolarHBondContact CB-O 3.32Å |
| 881 | W | 77.9 | Confident | 79 | Confident | 64 Ų | 64 | 40.6 Ų | 40.6 | 24% | 0.242 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -102.1 | -3.7 | 169.9 | 58 | 83.5 | 0 | 0 | 0 | 113.7 | Y829 D886 Q887 C888 H932 F935 | Y829-W881 VanDerWaalsContact CB-C 3.45Å; W881-D886 WeakPolarHBondContact CZ2-O 3.48Å; W881-Q887 VanDerWaalsContact CE2-CA 3.46Å; W881-Q887 HydrophobicContact CG-CB 4.43Å; W881-Q887 PolarHBondContact N-O 2.9Å; W881-C888 WeakPolarHBondContact CH2-O 3.42Å; W881-C888 WeakPolarHBondContact CZ3-O 3.3Å; W881-H932 HydrophobicContact CD2-CB 4.44Å; W881-H932 HydrophobicContact CZ2-CB 4.3Å; W881-H932 WeakPolarHBondContact CZ2-O 3.4Å; W881-F935 HydrophobicContact CH2-CE1 4.29Å; W881-F935 AromaticContact CH2-CZ 3.94Å; W881-F935 HydrophobicContact CH2-CZ 3.94Å |
| 882 | G | 74.4 | Confident | 78.8 | Confident | 4 Ų | 4 | 43.4 Ų | 43.4 | 4% | 0.041 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -163.9 | -177.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y829 C880 Q887 | Y829-G882 WeakPolarHBondContact CD1-O 3.47Å; Y829-G882 VanDerWaalsContact CG-CA 3.46Å; C880-G882 PolarHBondContact SG-O 2.93Å; G882-Q887 VanDerWaalsContact C-OE1 3.25Å |
| 883 | P | 78.2 | Confident | 78.7 | Confident | 70 Ų | 70 | 46.7 Ų | 46.7 | 46% | 0.455 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -77.2 | -15.6 | -177.8 | 29.7 | -34.5 | 0 | 0 | 0 | 114.7 | Y829 | Y829-P883 HydrophobicContact CE1-CB 3.64Å; Y829-P883 HydrophobicContact CE1-CG 4.2Å; Y829-P883 VanDerWaalsContact CZ-CD 3.47Å |
| 884 | G | 75.8 | Confident | 78.6 | Confident | 11 Ų | 11 | 43.8 Ų | 43.8 | 11% | 0.113 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -77.5 | 155.9 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | D886 Q887 | G884-D886 WeakPolarHBondContact CA-OD1 3.19Å; G884-D886 PolarHBondContact O-N 2.04Å; G884-Q887 WeakPolarHBondContact O-CB 3.26Å; G884-Q887 PolarHBondContact O-N 2.83Å; G884-Q887 VanDerWaalsContact O-N 3.12Å |
| 885 | P | 81.3 | Confident | 78.5 | Confident | 28 Ų | 28 | 38.2 Ų | 38.2 | 18% | 0.182 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -20.3 | 168.9 | 28.4 | -35.4 | 0 | 0 | 0 | 112.9 | I936 C937 | P885-I936 HydrophobicContact CB-CD1 4.18Å; P885-I936 HydrophobicContact CB-CG1 3.71Å; P885-I936 HydrophobicContact CG-CD1 3.73Å; P885-I936 HydrophobicContact CG-CG1 3.78Å; P885-C937 WeakPolarHBondContact O-CB 3.36Å; P885-C937 PolarHBondContact O-N 2.95Å |
| 886 | D | 75.6 | Confident | 78.4 | Confident | 28 Ų | 28 | 36.7 Ų | 36.7 | 15% | 0.15 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | 1.9 | 173.8 | 59.7 | -61.2 | 0 | 0 | 0 | 113.9 | W881 G884 F935 | W881-D886 WeakPolarHBondContact CZ2-O 3.48Å; G884-D886 WeakPolarHBondContact CA-OD1 3.19Å; G884-D886 PolarHBondContact O-N 2.04Å; D886-F935 VanDerWaalsContact CA-O 3.25Å; D886-F935 WeakPolarHBondContact CA-O 3.01Å |
| 887 | Q | 75.8 | Confident | 78.1 | Confident | 49 Ų | 49 | 36.1 Ų | 36.1 | 23% | 0.229 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -125.5 | 18.6 | -163 | -50.2 | -179 | -15.8 | 0 | 0 | 113.1 | C880 W881 G882 G884 | C880-Q887 CarbonylContact C-O 3.47Å; C880-Q887 WeakPolarHBondContact CA-O 3.41Å; C880-Q887 WeakPolarHBondContact CB-O 3.32Å; W881-Q887 VanDerWaalsContact CE2-CA 3.46Å; W881-Q887 HydrophobicContact CG-CB 4.43Å; W881-Q887 PolarHBondContact N-O 2.9Å; G882-Q887 VanDerWaalsContact C-OE1 3.25Å; G884-Q887 WeakPolarHBondContact O-CB 3.26Å; G884-Q887 PolarHBondContact O-N 2.83Å; G884-Q887 VanDerWaalsContact O-N 3.12Å |
| 888 | C | 75.4 | Confident | 77.7 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 142.7 | -176.9 | -52.7 | 0 | 0 | 0 | 0 | 112.3 | C876 W881 H890 F935 C937 | C876-C888 WeakPolarHBondContact CA-SG 3.22Å; C876-C888 HydrophobicContact CB-CB 3.5Å; C876-C888 VanDerWaalsContact CB-CB 3.5Å; C876-C888 WeakPolarHBondContact CB-SG 3.49Å; C876-C888 VanDerWaalsContact SG-CA 3.51Å; C876-C888 WeakPolarHBondContact SG-CB 3.17Å; C876-C888 CovalentContact SG-SG 2.03Å; C876-C888 PolarHBondContact SG-SG 2.84Å; W881-C888 WeakPolarHBondContact CH2-O 3.42Å; W881-C888 WeakPolarHBondContact CZ3-O 3.3Å; C888-H890 WeakPolarHBondContact CB-O 3.4Å; C888-F935 WeakPolarHBondContact O-CE2 3.42Å; C888-F935 VanDerWaalsContact O-CZ 3.27Å; C888-F935 WeakPolarHBondContact O-CZ 3.3Å; C888-C937 VanDerWaalsContact CB-SG 3.54Å; C888-C937 VanDerWaalsContact SG-SG 3.67Å |
| 889 | N | 76.2 | Confident | 77.6 | Confident | 69 Ų | 69 | 35.9 Ų | 35.9 | 37% | 0.369 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | -49.6 | 170.3 | -69.7 | -3.3 | 0 | 0 | 0 | 110.8 | A878 G879 | A878-N889 WeakPolarHBondContact O-CB 3.4Å; A878-N889 PolarHBondContact O-ND2 2.04Å; G879-N889 VanDerWaalsContact C-CG 3.48Å; G879-N889 WeakPolarHBondContact CA-ND2 3.4Å; G879-N889 WeakPolarHBondContact O-CB 3.42Å; G879-N889 PolarHBondContact O-N 2.82Å |
| 890 | H | 75.6 | Confident | 77.7 | Confident | 80 Ų | 80 | 37.2 Ų | 37.2 | 37% | 0.37 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 154.4 | 175 | -64 | -77.8 | 0 | 0 | 0 | 110.9 | H877 C888 E958 | H877-H890 HydrophobicContact CB-CB 4.24Å; H877-H890 PolarHBondContact N-O 3.19Å; H877-H890 WeakPolarHBondContact O-CB 3.23Å; H877-H890 PolarHBondContact O-N 3.03Å; C888-H890 WeakPolarHBondContact CB-O 3.4Å; H890-E958 VanDerWaalsContact CA-OE1 3.22Å; H890-E958 WeakPolarHBondContact CA-OE1 3.46Å; H890-E958 WeakPolarHBondContact CB-OE1 3.49Å; H890-E958 IonicContact CG-OE1 2.62Å; H890-E958 IonicContact ND1-OE1 2.92Å; H890-E958 PolarHBondContact ND1-OE1 3.32Å |
| 891 | C | 81.9 | Confident | 76.8 | Confident | 15 Ų | 15 | 37.7 Ų | 37.7 | 10% | 0.101 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 135.2 | 175.3 | -60.3 | 0 | 0 | 0 | 0 | 111.8 | N893 K895 C937 E958 | C891-N893 VanDerWaalsContact C-N 3.34Å; C891-K895 HydrophobicContact CB-CB 4.14Å; C891-K895 VanDerWaalsContact SG-CA 3.57Å; C891-K895 VanDerWaalsContact SG-CB 3.54Å; C891-C937 WeakPolarHBondContact CA-SG 3.46Å; C891-C937 HydrophobicContact CB-CB 3.63Å; C891-C937 WeakPolarHBondContact CB-SG 3.02Å; C891-C937 WeakPolarHBondContact SG-CA 3.17Å; C891-C937 WeakPolarHBondContact SG-CB 3.34Å; C891-C937 CovalentContact SG-SG 2.03Å; C891-C937 PolarHBondContact SG-SG 3.28Å; C891-E958 PolarHBondContact N-OE1 3.03Å |
| 892 | L | 80.5 | Confident | 76 | Confident | 89 Ų | 89 | 36.9 Ų | 36.9 | 47% | 0.466 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -69.2 | -29.7 | 178.4 | -177.5 | 64.5 | 0 | 0 | 0 | 113.2 | E874 Q875 H877 | E874-L892 VanDerWaalsContact O-CD2 3.31Å; E874-L892 WeakPolarHBondContact O-CD2 3.24Å; Q875-L892 WeakPolarHBondContact O-CB 3.4Å; Q875-L892 PolarHBondContact O-N 3.23Å; H877-L892 HydrophobicContact CB-CB 4.49Å; H877-L892 HydrophobicContact CB-CD1 4.48Å |
| 893 | N | 84.4 | Confident | 75.2 | Confident | 77 Ų | 77 | 43.2 Ų | 43.2 | 41% | 0.412 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -126.6 | -75.7 | -176.4 | -68.2 | -68.1 | 0 | 0 | 0 | 111.3 | Q875 C891 L938 | Q875-N893 PolarHBondContact OE1-ND2 2.86Å; C891-N893 VanDerWaalsContact C-N 3.34Å; N893-L938 WeakPolarHBondContact CB-O 3.42Å |
| 894 | V | 83.6 | Confident | 74.2 | Confident | 9 Ų | 9 | 46.4 Ų | 46.4 | 6% | 0.055 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 149.2 | 176.4 | -60.4 | 0 | 0 | 0 | 0 | 113.6 | C937 L938 Q940 T959 C961 | V894-C937 WeakPolarHBondContact O-CA 3.29Å; V894-L938 HydrophobicContact CG2-CB 4.23Å; V894-L938 VanDerWaalsContact CG2-O 3.23Å; V894-L938 WeakPolarHBondContact CG2-O 2.93Å; V894-L938 PolarHBondContact N-O 3.25Å; V894-L938 VanDerWaalsContact N-O 3.09Å; V894-L938 PolarHBondContact O-N 2.98Å; V894-Q940 VanDerWaalsContact CG2-C 3.43Å; V894-T959 WeakPolarHBondContact CA-O 3.35Å; V894-T959 HydrophobicContact CG1-CG2 4.01Å; V894-C961 VanDerWaalsContact CG2-SG 3.58Å |
| 895 | K | 83.8 | Confident | 73.2 | Confident | 7 Ų | 7 | 47.6 Ų | 47.6 | 3% | 0.03 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 119.3 | -179.1 | -172.2 | 161.4 | 178.1 | 169 | 0 | 109.7 | C891 F935 E958 T959 I960 C961 N979 | C891-K895 HydrophobicContact CB-CB 4.14Å; C891-K895 VanDerWaalsContact SG-CA 3.57Å; C891-K895 VanDerWaalsContact SG-CB 3.54Å; K895-F935 HydrophobicContact CD-CD2 4.08Å; K895-F935 HydrophobicContact CD-CE2 4.21Å; K895-F935 HydrophobicContact CD-CG 4.27Å; K895-F935 VanDerWaalsContact CE-CD1 3.49Å; K895-F935 VanDerWaalsContact CE-CE1 3.48Å; K895-F935 HydrophobicContact CG-CB 4.03Å; K895-F935 HydrophobicContact CG-CD2 3.7Å; K895-F935 HydrophobicContact CG-CE2 4.29Å; K895-F935 HydrophobicContact CG-CG 3.87Å; K895-E958 WeakPolarHBondContact CD-OE2 3.19Å; K895-E958 WeakPolarHBondContact CE-OE2 3.39Å; K895-E958 IonicContact NZ-OE1 3.3Å; K895-E958 IonicContact NZ-OE2 2.72Å; K895-E958 PolarHBondContact NZ-OE2 2.81Å; K895-T959 PolarHBondContact N-O 2.02Å; K895-I960 HydrophobicContact CB-CG1 4.33Å; K895-I960 WeakPolarHBondContact O-CA 3.35Å; K895-C961 PolarHBondContact O-N 3.36Å; K895-N979 PolarHBondContact NZ-OD1 3.44Å |
| 896 | V | 83.1 | Confident | 71.9 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 105.3 | -177.6 | -174.7 | 0 | 0 | 0 | 0 | 109.2 | I898 I901 F935 I936 L938 P942 L945 C961 | V896-I898 PolarHBondContact O-N 2.91Å; V896-I901 HydrophobicContact CG1-CD1 3.84Å; V896-I901 HydrophobicContact CG1-CG1 3.67Å; V896-F935 CarbonylContact O-C 3.48Å; V896-F935 WeakPolarHBondContact O-CA 2.96Å; V896-F935 WeakPolarHBondContact O-CB 2.95Å; V896-I936 HydrophobicContact CB-CG2 3.83Å; V896-I936 HydrophobicContact CG1-CG2 4.38Å; V896-I936 PolarHBondContact N-O 3.5Å; V896-I936 PolarHBondContact O-N 2.82Å; V896-L938 HydrophobicContact CG2-CD1 4Å; V896-L938 HydrophobicContact CG2-CG 4.28Å; V896-P942 HydrophobicContact CG1-CG 4.36Å; V896-L945 HydrophobicContact CG1-CD1 3.64Å; V896-C961 HydrophobicContact CG2-CB 4.03Å |
| 897 | P | 75.4 | Confident | 70.7 | Confident | 6 Ų | 6 | 52.2 Ų | 52.2 | 4% | 0.039 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 129.8 | 174.9 | -21 | 32.4 | 0 | 0 | 0 | 110.6 | R899 F900 I960 I975 | P897-R899 HydrophobicContact CB-CG 4.11Å; P897-R899 PolarHBondContact O-N 2.89Å; P897-R899 VanDerWaalsContact O-N 3.13Å; P897-F900 HydrophobicContact CB-CD2 3.71Å; P897-F900 HydrophobicContact CB-CE2 4.07Å; P897-F900 HydrophobicContact CG-CD2 3.84Å; P897-F900 HydrophobicContact CG-CE2 4.02Å; P897-F900 PolarHBondContact O-N 3.13Å; P897-I960 HydrophobicContact CG-CG2 4.04Å; P897-I975 HydrophobicContact CG-CD1 4.32Å; P897-I975 HydrophobicContact CG-CG1 4.36Å |
| 898 | I | 69.7 | Low | 69.8 | Low | 45 Ų | 45 | 54.7 Ų | 54.7 | 23% | 0.231 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -61.1 | -29.4 | -172.7 | -66.1 | 170.1 | 0 | 0 | 0 | 111.3 | V896 F900 I901 L911 K934 | V896-I898 PolarHBondContact O-N 2.91Å; I898-F900 PolarHBondContact O-N 2.85Å; I898-I901 HydrophobicContact CB-CD1 4.42Å; I898-I901 HydrophobicContact CG1-CD1 4.17Å; I898-I901 WeakPolarHBondContact O-CB 3.43Å; I898-I901 PolarHBondContact O-N 2.94Å; I898-L911 HydrophobicContact CG2-CD1 4.5Å; I898-K934 PolarHBondContact N-O 3.45Å |
| 899 | R | 69 | Low | 68.7 | Low | 95 Ų | 95 | 58.7 Ų | 58.7 | 36% | 0.358 | 31% | 0.305 | S | S | . | . | G | 310 helix | trans | -60.4 | -7.5 | 173.5 | 71.3 | -171.4 | -172.8 | 91.2 | -4.2 | 115.8 | P897 D971 | P897-R899 HydrophobicContact CB-CG 4.11Å; P897-R899 PolarHBondContact O-N 2.89Å; P897-R899 VanDerWaalsContact O-N 3.13Å; R899-D971 IonicContact CZ-OD1 2.79Å; R899-D971 VanDerWaalsContact CZ-OD1 3.3Å; R899-D971 IonicContact NH1-OD1 3.46Å; R899-D971 PolarHBondContact NH1-OD1 3.27Å; R899-D971 PolarHBondContact NH2-O 3.08Å; R899-D971 IonicContact NH2-OD1 3.31Å; R899-D971 PolarHBondContact NH2-OD1 3.13Å |
| 900 | F | 72.2 | Confident | 67.3 | Low | 28 Ų | 28 | 58.4 Ų | 58.4 | 12% | 0.123 | 32% | 0.318 | C | S | . | . | G | 310 helix | trans | -115.1 | 5.8 | 175.9 | -60 | -54 | 0 | 0 | 0 | 113.5 | P897 I898 L945 H962 H963 I975 | P897-F900 HydrophobicContact CB-CD2 3.71Å; P897-F900 HydrophobicContact CB-CE2 4.07Å; P897-F900 HydrophobicContact CG-CD2 3.84Å; P897-F900 HydrophobicContact CG-CE2 4.02Å; P897-F900 PolarHBondContact O-N 3.13Å; I898-F900 PolarHBondContact O-N 2.85Å; F900-L945 HydrophobicContact CB-CD1 3.9Å; F900-L945 HydrophobicContact CB-CD2 3.77Å; F900-L945 HydrophobicContact CB-CG 4.43Å; F900-L945 HydrophobicContact CG-CD2 4.37Å; F900-H962 AromaticContact CE2-CD2 3.54Å; F900-H962 AromaticContact CZ-CD2 3.44Å; F900-H962 VanDerWaalsContact CZ-CD2 3.44Å; F900-H962 WeakPolarHBondContact CZ-CD2 3.03Å; F900-H962 AromaticContact CZ-NE2 3.53Å; F900-H963 AromaticContact CD1-CD2 3.76Å; F900-H963 AromaticContact CD1-NE2 3.96Å; F900-I975 HydrophobicContact CE2-CD1 4.39Å |
| 901 | I | 63.3 | Low | 66.2 | Low | 18 Ų | 18 | 57.7 Ų | 57.7 | 9% | 0.092 | 32% | 0.317 | C | S | . | . | trans | -93.3 | 128.4 | 179.8 | -58.9 | -178.3 | 0 | 0 | 0 | 108.6 | V896 I898 L905 T906 I936 | V896-I901 HydrophobicContact CG1-CD1 3.84Å; V896-I901 HydrophobicContact CG1-CG1 3.67Å; I898-I901 HydrophobicContact CB-CD1 4.42Å; I898-I901 HydrophobicContact CG1-CD1 4.17Å; I898-I901 WeakPolarHBondContact O-CB 3.43Å; I898-I901 PolarHBondContact O-N 2.94Å; I901-L905 HydrophobicContact CG2-CB 3.35Å; I901-L905 HydrophobicContact CG2-CD1 4.27Å; I901-L905 HydrophobicContact CG2-CG 4.45Å; I901-T906 HydrophobicContact CG2-CG2 4.25Å; I901-I936 HydrophobicContact CD1-CG2 3.49Å; I901-I936 VanDerWaalsContact CD1-CG2 3.49Å | ||
| 902 | S | 61.1 | Low | 64.2 | Low | 47 Ų | 47 | 63.2 Ų | 63.2 | 33% | 0.329 | 35% | 0.345 | S | S | . | . | trans | -74 | 154.2 | 177.6 | 55.7 | 0 | 0 | 0 | 0 | 112.1 | N904 L905 T906 D944 | S902-N904 PolarHBondContact O-N 3.1Å; S902-L905 PolarHBondContact O-N 2.88Å; S902-T906 PolarHBondContact O-N 2.83Å; S902-D944 PolarHBondContact OG-OD2 2.98Å | ||
| 903 | D | 58.3 | Low | 62.1 | Low | 137 Ų | 137 | 67.7 Ų | 67.7 | 73% | 0.733 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -57.4 | -16.5 | -177 | -54.8 | -43.8 | 0 | 0 | 0 | 114.6 | T906 N907 | D903-T906 PolarHBondContact O-OG1 3.5Å; D903-N907 PolarHBondContact O-ND2 2.85Å |
| 904 | N | 55.7 | Low | 59.5 | Low | 136 Ų | 136 | 74.6 Ų | 74.6 | 73% | 0.727 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -78.7 | -26.5 | 175.5 | -126 | -2.4 | 0 | 0 | 0 | 112.4 | S902 V908 | S902-N904 PolarHBondContact O-N 3.1Å; N904-V908 WeakPolarHBondContact O-CG2 3.45Å |
| 905 | L | 54.7 | Low | 57 | Low | 36 Ų | 36 | 80 Ų | 80 | 19% | 0.188 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -92.3 | -28.1 | -179.4 | -77.9 | 161.9 | 0 | 0 | 0 | 112.5 | I901 S902 N907 V908 Y909 P942 | I901-L905 HydrophobicContact CG2-CB 3.35Å; I901-L905 HydrophobicContact CG2-CD1 4.27Å; I901-L905 HydrophobicContact CG2-CG 4.45Å; S902-L905 PolarHBondContact O-N 2.88Å; L905-N907 VanDerWaalsContact C-N 3.26Å; L905-N907 PolarHBondContact O-N 3.49Å; L905-V908 WeakPolarHBondContact O-CB 3.49Å; L905-V908 PolarHBondContact O-N 2.83Å; L905-Y909 HydrophobicContact CB-CE2 4.41Å; L905-Y909 HydrophobicContact CD2-CE2 4.04Å; L905-Y909 WeakPolarHBondContact O-CD2 3.42Å; L905-Y909 PolarHBondContact O-N 3.35Å; L905-Y909 VanDerWaalsContact O-N 3.12Å; L905-P942 HydrophobicContact CD1-CB 3.87Å; L905-P942 HydrophobicContact CD1-CG 4.32Å |
| 906 | T | 55.8 | Low | 54.6 | Low | 29 Ų | 29 | 88.7 Ų | 88.7 | 18% | 0.178 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -59.4 | -38.5 | 172.7 | 50.2 | 0 | 0 | 0 | 0 | 111.9 | I901 S902 D903 V908 Y909 G910 L911 | I901-T906 HydrophobicContact CG2-CG2 4.25Å; S902-T906 PolarHBondContact O-N 2.83Å; D903-T906 PolarHBondContact O-OG1 3.5Å; T906-V908 VanDerWaalsContact C-N 3.33Å; T906-V908 PolarHBondContact O-N 3.46Å; T906-Y909 PolarHBondContact O-N 2.8Å; T906-G910 PolarHBondContact O-N 3.03Å; T906-L911 HydrophobicContact CG2-CD1 4.29Å; T906-L911 PolarHBondContact O-N 3.28Å |
| 907 | N | 50.5 | Low | 52.5 | Low | 124 Ų | 124 | 96.2 Ų | 96.2 | 66% | 0.663 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.7 | -32.3 | 171.3 | -82.6 | -80.2 | 0 | 0 | 0 | 113.6 | D903 L905 | D903-N907 PolarHBondContact O-ND2 2.85Å; L905-N907 VanDerWaalsContact C-N 3.26Å; L905-N907 PolarHBondContact O-N 3.49Å |
| 908 | V | 55.5 | Low | 50.6 | Low | 101 Ų | 101 | 104 Ų | 104 | 61% | 0.612 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -75 | -29.8 | 178.7 | 174.6 | 0 | 0 | 0 | 0 | 111.7 | N904 L905 T906 | N904-V908 WeakPolarHBondContact O-CG2 3.45Å; L905-V908 WeakPolarHBondContact O-CB 3.49Å; L905-V908 PolarHBondContact O-N 2.83Å; T906-V908 VanDerWaalsContact C-N 3.33Å; T906-V908 PolarHBondContact O-N 3.46Å |
| 909 | Y | 52.1 | Low | 48.8 | Very low | 85 Ų | 85 | 109.8 Ų | 109.8 | 33% | 0.333 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -100.6 | 0.6 | 179.9 | -60.2 | -60.2 | 0 | 0 | 0 | 114.7 | L905 T906 I936 L938 | L905-Y909 HydrophobicContact CB-CE2 4.41Å; L905-Y909 HydrophobicContact CD2-CE2 4.04Å; L905-Y909 WeakPolarHBondContact O-CD2 3.42Å; L905-Y909 PolarHBondContact O-N 3.35Å; L905-Y909 VanDerWaalsContact O-N 3.12Å; T906-Y909 PolarHBondContact O-N 2.8Å; Y909-I936 HydrophobicContact CD1-CD1 3.74Å; Y909-I936 HydrophobicContact CD2-CD1 3.94Å; Y909-I936 HydrophobicContact CE1-CD1 4.36Å; Y909-I936 HydrophobicContact CG-CD1 3.52Å; Y909-L938 HydrophobicContact CD1-CD2 4.43Å; Y909-L938 HydrophobicContact CE1-CD2 3.68Å; Y909-L938 HydrophobicContact CE2-CD1 4.17Å; Y909-L938 HydrophobicContact CE2-CD2 4.44Å; Y909-L938 WeakPolarHBondContact OH-CD1 3.44Å |
| 910 | G | 47.7 | Very low | 47 | Very low | 62 Ų | 62 | 110.3 Ų | 110.3 | 64% | 0.639 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 73.2 | 36.4 | 167.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | T906 D912 | T906-G910 PolarHBondContact O-N 3.03Å; G910-D912 VanDerWaalsContact C-N 3.29Å; G910-D912 PolarHBondContact O-N 2.03Å |
| 911 | L | 51.8 | Low | 45 | Very low | 66 Ų | 66 | 117.2 Ų | 117.2 | 35% | 0.346 | 64% | 0.636 | S | S | . | * | trans | -81.7 | 8.9 | -171.2 | -68 | 170.4 | 0 | 0 | 0 | 115.7 | I898 T906 | I898-L911 HydrophobicContact CG2-CD1 4.5Å; T906-L911 HydrophobicContact CG2-CD1 4.29Å; T906-L911 PolarHBondContact O-N 3.28Å | ||
| 912 | D | 40.6 | Very low | 43.2 | Very low | 130 Ų | 130 | 119 Ų | 119 | 70% | 0.695 | 66% | 0.658 | S | S | * | * | trans | -119.1 | 116.2 | -179.5 | -94.2 | -46.5 | 0 | 0 | 0 | 112.2 | G910 | G910-D912 VanDerWaalsContact C-N 3.29Å; G910-D912 PolarHBondContact O-N 2.03Å | ||
| 913 | Q | 35.7 | Very low | 41.5 | Very low | 183 Ų | 183 | 124.6 Ų | 124.6 | 86% | 0.855 | 68% | 0.682 | S | S | * | * | trans | 159.3 | 99.2 | 140.8 | -89.6 | 168.5 | 42.9 | 0 | 0 | 112.7 | ||||
| 914 | F | 30.1 | Very low | 40.1 | Very low | 223 Ų | 223 | 123.5 Ų | 123.5 | 98% | 0.978 | 68% | 0.675 | S | S | * | * | trans | -138.9 | 118.7 | 151.9 | -79.1 | -75.1 | 0 | 0 | 0 | 108.3 | ||||
| 915 | S | 31.9 | Very low | 38.8 | Very low | 122 Ų | 122 | 121.9 Ų | 121.9 | 85% | 0.853 | 68% | 0.675 | S | S | * | * | trans | -116.8 | 145.2 | 179.6 | 48.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 916 | E | 33.4 | Very low | 37.5 | Very low | 189 Ų | 189 | 126.5 Ų | 126.5 | 88% | 0.883 | 70% | 0.699 | S | S | * | * | trans | -84.6 | 136.1 | -178.5 | -56.8 | 173.8 | 115.2 | 0 | 0 | 110.6 | ||||
| 917 | D | 38.7 | Very low | 36.2 | Very low | 159 Ų | 159 | 132.2 Ų | 132.2 | 85% | 0.85 | 73% | 0.728 | S | S | * | * | trans | 176.5 | -29 | 139.7 | -103.6 | -21.1 | 0 | 0 | 0 | 114.6 | L919 | D917-L919 PolarHBondContact O-N 3.48Š| ||
| 918 | D | 35.8 | Very low | 35.2 | Very low | 169 Ų | 169 | 131.3 Ų | 131.3 | 90% | 0.904 | 72% | 0.723 | S | S | * | * | trans | -82.2 | 84.7 | -164.7 | -144 | -14.7 | 0 | 0 | 0 | 113.9 | ||||
| 919 | L | 32.1 | Very low | 34.2 | Very low | 167 Ų | 167 | 131.4 Ų | 131.4 | 87% | 0.874 | 72% | 0.717 | S | S | * | * | trans | -127.8 | 77.7 | -167.5 | -166.4 | 88.4 | 0 | 0 | 0 | 114.9 | D917 | D917-L919 PolarHBondContact O-N 3.48Š| ||
| 920 | S | 31 | Very low | 33.7 | Very low | 105 Ų | 105 | 134.8 Ų | 134.8 | 73% | 0.734 | 74% | 0.74 | S | S | * | * | trans | -152 | 93.9 | 160.2 | 59 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 921 | I | 29 | Very low | 33.1 | Very low | 174 Ų | 174 | 141.6 Ų | 141.6 | 89% | 0.892 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -177.6 | 127.3 | 142.2 | -95.6 | 151.1 | 0 | 0 | 0 | 109.5 | ||
| 922 | G | 26.2 | Very low | 32.6 | Very low | 54 Ų | 54 | 142.8 Ų | 142.8 | 56% | 0.557 | 75% | 0.751 | S | S | * | * | trans | 52.9 | 94.4 | 151.1 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 923 | M | 25.6 | Very low | 33 | Very low | 166 Ų | 166 | 138.2 Ų | 138.2 | 82% | 0.818 | 74% | 0.735 | S | S | * | * | trans | 3.1 | 147.8 | 133.9 | -68.1 | -170.6 | 162.1 | 0 | 0 | 118.7 | ||||
| 924 | N | 28.1 | Very low | 34.5 | Very low | 113 Ų | 113 | 134 Ų | 134 | 60% | 0.604 | 71% | 0.713 | S | S | * | * | cis | -163.3 | 153.9 | -5.3 | -96.5 | -18.8 | 0 | 0 | 0 | 106.9 | ||||
| 925 | S | 28 | Very low | 36.7 | Very low | 102 Ų | 102 | 123.9 Ų | 123.9 | 71% | 0.713 | 67% | 0.669 | S | S | * | * | trans | 57.5 | 142 | 168.2 | 53.3 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 926 | L | 28.5 | Very low | 39 | Very low | 133 Ų | 133 | 118.2 Ų | 118.2 | 70% | 0.696 | 63% | 0.629 | S | S | * | * | cis | -137.7 | 133.3 | 10.7 | -158.8 | 78.3 | 0 | 0 | 0 | 109.3 | ||||
| 927 | N | 28.7 | Very low | 41.3 | Very low | 149 Ų | 149 | 109.2 Ų | 109.2 | 80% | 0.797 | 59% | 0.587 | S | S | * | * | trans | -101.3 | 134 | 172.9 | -81.1 | -10.7 | 0 | 0 | 0 | 109.7 | ||||
| 928 | L | 29.1 | Very low | 43.5 | Very low | 106 Ų | 106 | 102.2 Ų | 102.2 | 56% | 0.555 | 55% | 0.55 | S | S | * | . | trans | -148.2 | 2.8 | 169.1 | -138.8 | 89.9 | 0 | 0 | 0 | 115.5 | F983 | L928-F983 HydrophobicContact CD2-CE2 3.77Å; L928-F983 HydrophobicContact CD2-CZ 3.96Å | ||
| 929 | H | 34.8 | Very low | 45.7 | Very low | 103 Ų | 103 | 97.9 Ų | 97.9 | 48% | 0.477 | 53% | 0.531 | S | S | . | . | trans | -90.7 | 0 | -170.1 | -91.3 | -82.4 | 0 | 0 | 0 | 115.9 | Y861 Y931 | Y861-H929 AromaticContact CE1-NE2 3.96Å; H929-Y931 PolarHBondContact O-N 2.03Å | ||
| 930 | L | 40.4 | Very low | 48.1 | Very low | 155 Ų | 155 | 96.8 Ų | 96.8 | 81% | 0.812 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | 9.9 | -161 | -120.5 | 85.1 | 0 | 0 | 0 | 117.2 | ||
| 931 | Y | 35.6 | Very low | 50.5 | Low | 205 Ų | 205 | 92.8 Ų | 92.8 | 80% | 0.804 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -132.4 | 2.6 | -167.3 | -93.9 | -77.6 | 0 | 0 | 0 | 117.3 | H929 | H929-Y931 PolarHBondContact O-N 2.03Š|
| 932 | H | 41.3 | Very low | 52.8 | Low | 91 Ų | 91 | 85.2 Ų | 85.2 | 42% | 0.421 | 46% | 0.455 | S | S | . | . | trans | -101.1 | -9.1 | -163 | -75.7 | -82 | 0 | 0 | 0 | 117.5 | W881 | W881-H932 HydrophobicContact CD2-CB 4.44Å; W881-H932 HydrophobicContact CZ2-CB 4.3Å; W881-H932 WeakPolarHBondContact CZ2-O 3.4Å | ||
| 933 | G | 48.8 | Very low | 55.2 | Low | 34 Ų | 34 | 90 Ų | 90 | 35% | 0.351 | 47% | 0.468 | S | S | . | . | trans | -96.3 | 90.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 934 | K | 67.8 | Low | 57.3 | Low | 94 Ų | 94 | 86.1 Ų | 86.1 | 41% | 0.409 | 45% | 0.451 | S | S | . | . | trans | -112.6 | -1.2 | 175.7 | -75.5 | -173.2 | -178.4 | -177.1 | 0 | 114.9 | I898 D978 | I898-K934 PolarHBondContact N-O 3.45Å; K934-D978 HydrophobicContact CB-CB 4.37Å; K934-D978 HydrophobicContact CD-CB 4.07Å; K934-D978 WeakPolarHBondContact CD-OD1 3.41Å; K934-D978 WeakPolarHBondContact CD-OD2 3.38Å; K934-D978 WeakPolarHBondContact CE-OD1 3.5Å; K934-D978 IonicContact NZ-OD1 3.26Å; K934-D978 PolarHBondContact NZ-OD1 2.8Å | ||
| 935 | F | 76 | Confident | 59.4 | Low | 12 Ų | 12 | 80.8 Ų | 80.8 | 5% | 0.053 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 162.7 | 175.4 | 60.1 | -93.5 | 0 | 0 | 0 | 110.2 | W881 D886 C888 K895 V896 | W881-F935 HydrophobicContact CH2-CE1 4.29Å; W881-F935 AromaticContact CH2-CZ 3.94Å; W881-F935 HydrophobicContact CH2-CZ 3.94Å; D886-F935 VanDerWaalsContact CA-O 3.25Å; D886-F935 WeakPolarHBondContact CA-O 3.01Å; C888-F935 WeakPolarHBondContact O-CE2 3.42Å; C888-F935 VanDerWaalsContact O-CZ 3.27Å; C888-F935 WeakPolarHBondContact O-CZ 3.3Å; K895-F935 HydrophobicContact CD-CD2 4.08Å; K895-F935 HydrophobicContact CD-CE2 4.21Å; K895-F935 HydrophobicContact CD-CG 4.27Å; K895-F935 VanDerWaalsContact CE-CD1 3.49Å; K895-F935 VanDerWaalsContact CE-CE1 3.48Å; K895-F935 HydrophobicContact CG-CB 4.03Å; K895-F935 HydrophobicContact CG-CD2 3.7Å; K895-F935 HydrophobicContact CG-CE2 4.29Å; K895-F935 HydrophobicContact CG-CG 3.87Å; V896-F935 CarbonylContact O-C 3.48Å; V896-F935 WeakPolarHBondContact O-CA 2.96Å; V896-F935 WeakPolarHBondContact O-CB 2.95Å |
| 936 | I | 80 | Confident | 61.4 | Low | 2 Ų | 2 | 83.7 Ų | 83.7 | 1% | 0.01 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 135.3 | 172.2 | -170.9 | 173.8 | 0 | 0 | 0 | 110.1 | P885 V896 I901 Y909 L938 | P885-I936 HydrophobicContact CB-CD1 4.18Å; P885-I936 HydrophobicContact CB-CG1 3.71Å; P885-I936 HydrophobicContact CG-CD1 3.73Å; P885-I936 HydrophobicContact CG-CG1 3.78Å; V896-I936 HydrophobicContact CB-CG2 3.83Å; V896-I936 HydrophobicContact CG1-CG2 4.38Å; V896-I936 PolarHBondContact N-O 3.5Å; V896-I936 PolarHBondContact O-N 2.82Å; I901-I936 HydrophobicContact CD1-CG2 3.49Å; I901-I936 VanDerWaalsContact CD1-CG2 3.49Å; Y909-I936 HydrophobicContact CD1-CD1 3.74Å; Y909-I936 HydrophobicContact CD2-CD1 3.94Å; Y909-I936 HydrophobicContact CE1-CD1 4.36Å; Y909-I936 HydrophobicContact CG-CD1 3.52Å; I936-L938 HydrophobicContact CD1-CD2 4.04Å; I936-L938 HydrophobicContact CG1-CD2 4.08Å; I936-L938 HydrophobicContact CG2-CD1 4.47Å; I936-L938 HydrophobicContact CG2-CG 4.26Å |
| 937 | C | 82.8 | Confident | 63.3 | Low | 1 Ų | 1 | 78.4 Ų | 78.4 | 1% | 0.007 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 116.3 | 176.6 | -61.2 | 0 | 0 | 0 | 0 | 110.6 | Q875 P885 C888 C891 V894 | Q875-C937 HydrophobicContact CB-CB 3.89Å; Q875-C937 WeakPolarHBondContact CB-O 3.48Å; P885-C937 WeakPolarHBondContact O-CB 3.36Å; P885-C937 PolarHBondContact O-N 2.95Å; C888-C937 VanDerWaalsContact CB-SG 3.54Å; C888-C937 VanDerWaalsContact SG-SG 3.67Å; C891-C937 WeakPolarHBondContact CA-SG 3.46Å; C891-C937 HydrophobicContact CB-CB 3.63Å; C891-C937 WeakPolarHBondContact CB-SG 3.02Å; C891-C937 WeakPolarHBondContact SG-CA 3.17Å; C891-C937 WeakPolarHBondContact SG-CB 3.34Å; C891-C937 CovalentContact SG-SG 2.03Å; C891-C937 PolarHBondContact SG-SG 3.28Å; V894-C937 WeakPolarHBondContact O-CA 3.29Å |
| 938 | L | 83.4 | Confident | 65.4 | Low | 11 Ų | 11 | 76.7 Ų | 76.7 | 6% | 0.058 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 157.6 | -179.3 | -62.6 | -175.3 | 0 | 0 | 0 | 110.9 | N893 V894 V896 Y909 I936 Q940 P942 | N893-L938 WeakPolarHBondContact CB-O 3.42Å; V894-L938 HydrophobicContact CG2-CB 4.23Å; V894-L938 VanDerWaalsContact CG2-O 3.23Å; V894-L938 WeakPolarHBondContact CG2-O 2.93Å; V894-L938 PolarHBondContact N-O 3.25Å; V894-L938 VanDerWaalsContact N-O 3.09Å; V894-L938 PolarHBondContact O-N 2.98Å; V896-L938 HydrophobicContact CG2-CD1 4Å; V896-L938 HydrophobicContact CG2-CG 4.28Å; Y909-L938 HydrophobicContact CD1-CD2 4.43Å; Y909-L938 HydrophobicContact CE1-CD2 3.68Å; Y909-L938 HydrophobicContact CE2-CD1 4.17Å; Y909-L938 HydrophobicContact CE2-CD2 4.44Å; Y909-L938 WeakPolarHBondContact OH-CD1 3.44Å; I936-L938 HydrophobicContact CD1-CD2 4.04Å; I936-L938 HydrophobicContact CG1-CD2 4.08Å; I936-L938 HydrophobicContact CG2-CD1 4.47Å; I936-L938 HydrophobicContact CG2-CG 4.26Å; L938-Q940 WeakPolarHBondContact CB-O 3.26Å; L938-Q940 PolarHBondContact O-N 3.24Å; L938-P942 HydrophobicContact CD1-CG 4.12Å |
| 939 | P | 82.7 | Confident | 67.4 | Low | 79 Ų | 79 | 72.6 Ų | 72.6 | 51% | 0.513 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -71.2 | -18.1 | 174 | 28.6 | -35.2 | 0 | 0 | 0 | 113.5 | ||
| 940 | Q | 82.9 | Confident | 68.7 | Low | 144 Ų | 144 | 71 Ų | 71 | 67% | 0.673 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -156.9 | 157.7 | 179.4 | 64.7 | -172.7 | 20.7 | 0 | 0 | 110.2 | V894 L938 | V894-Q940 VanDerWaalsContact CG2-C 3.43Å; L938-Q940 WeakPolarHBondContact CB-O 3.26Å; L938-Q940 PolarHBondContact O-N 3.24Å |
| 941 | C | 82.1 | Confident | 69.6 | Low | 20 Ų | 20 | 70.7 Ų | 70.7 | 14% | 0.135 | 35% | 0.353 | C | S | . | . | trans | -70 | 146.8 | 178 | -63 | 0 | 0 | 0 | 0 | 111.6 | L945 H948 C961 | C941-L945 WeakPolarHBondContact CB-O 3.05Å; C941-H948 PolarHBondContact SG-CE1 3.14Å; C941-C961 WeakPolarHBondContact CA-SG 3.44Å; C941-C961 HydrophobicContact CB-CB 3.77Å; C941-C961 WeakPolarHBondContact CB-SG 3.02Å; C941-C961 WeakPolarHBondContact SG-CB 3.4Å; C941-C961 CovalentContact SG-SG 2.03Å; C941-C961 PolarHBondContact SG-SG 2.83Å | ||
| 942 | P | 77 | Confident | 70.9 | Confident | 16 Ų | 16 | 61.6 Ų | 61.6 | 10% | 0.104 | 32% | 0.318 | C | S | . | . | trans | -61.2 | 151.4 | 166.1 | -21.1 | 33.2 | 0 | 0 | 0 | 111.6 | V896 L905 L938 D944 L945 | V896-P942 HydrophobicContact CG1-CG 4.36Å; L905-P942 HydrophobicContact CD1-CB 3.87Å; L905-P942 HydrophobicContact CD1-CG 4.32Å; L938-P942 HydrophobicContact CD1-CG 4.12Å; P942-D944 PolarHBondContact O-N 2.68Å; P942-D944 VanDerWaalsContact O-N 3.08Å; P942-L945 HydrophobicContact CG-CD1 4.41Å; P942-L945 CarbonylContact O-C 3.56Å; P942-L945 PolarHBondContact O-N 3.13Å | ||
| 943 | N | 75.1 | Confident | 71.6 | Confident | 154 Ų | 154 | 62.1 Ų | 62.1 | 82% | 0.824 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -31.2 | -176.7 | -65.3 | -21.2 | 0 | 0 | 0 | 113.8 | L945 | N943-L945 PolarHBondContact O-N 3.47Š|
| 944 | D | 70.1 | Confident | 72.1 | Confident | 85 Ų | 85 | 65.8 Ų | 65.8 | 46% | 0.455 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -11.3 | -179.2 | -52.2 | -29.9 | 0 | 0 | 0 | 112.8 | S902 P942 H963 | S902-D944 PolarHBondContact OG-OD2 2.98Å; P942-D944 PolarHBondContact O-N 2.68Å; P942-D944 VanDerWaalsContact O-N 3.08Å; D944-H963 PolarHBondContact O-CE1 3.44Å; D944-H963 PolarHBondContact O-ND1 2.86Å |
| 945 | L | 72.1 | Confident | 71.6 | Confident | 1 Ų | 1 | 61.9 Ų | 61.9 | 1% | 0.005 | 32% | 0.321 | C | S | . | . | trans | -123 | 61.8 | -175 | -67.7 | 170.8 | 0 | 0 | 0 | 111.6 | V896 F900 C941 P942 N943 N947 C961 H963 | V896-L945 HydrophobicContact CG1-CD1 3.64Å; F900-L945 HydrophobicContact CB-CD1 3.9Å; F900-L945 HydrophobicContact CB-CD2 3.77Å; F900-L945 HydrophobicContact CB-CG 4.43Å; F900-L945 HydrophobicContact CG-CD2 4.37Å; C941-L945 WeakPolarHBondContact CB-O 3.05Å; P942-L945 HydrophobicContact CG-CD1 4.41Å; P942-L945 CarbonylContact O-C 3.56Å; P942-L945 PolarHBondContact O-N 3.13Å; N943-L945 PolarHBondContact O-N 3.47Å; L945-N947 VanDerWaalsContact C-N 3.29Å; L945-N947 PolarHBondContact O-N 2.92Å; L945-C961 HydrophobicContact CB-CB 3.92Å; L945-C961 HydrophobicContact CD1-CB 4.32Å; L945-H963 HydrophobicContact CD2-CB 4.43Å; L945-H963 VanDerWaalsContact CD2-CE1 3.44Å; L945-H963 WeakPolarHBondContact CD2-CE1 3.41Å; L945-H963 VanDerWaalsContact CD2-ND1 3.35Å; L945-H963 WeakPolarHBondContact CD2-ND1 3.04Å | ||
| 946 | Y | 71.2 | Confident | 70.6 | Confident | 162 Ų | 162 | 70.6 Ų | 70.6 | 64% | 0.635 | 36% | 0.362 | S | S | * | . | trans | -72.9 | -5 | -170.7 | 47.3 | -93.7 | 0 | 0 | 0 | 116.1 | H963 | Y946-H963 PolarHBondContact OH-O 3.5Š| ||
| 947 | N | 67.8 | Low | 69.6 | Low | 23 Ų | 23 | 74.2 Ų | 74.2 | 12% | 0.123 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 128.8 | 179.5 | -45.6 | -81.9 | 0 | 0 | 0 | 111.6 | L945 C961 H962 H963 S964 T965 | L945-N947 VanDerWaalsContact C-N 3.29Å; L945-N947 PolarHBondContact O-N 2.92Å; N947-C961 WeakPolarHBondContact O-CA 3.4Å; N947-H962 WeakPolarHBondContact CB-O 3.29Å; N947-H962 PolarHBondContact N-O 3.15Å; N947-H962 PolarHBondContact ND2-O 3.05Å; N947-H962 PolarHBondContact O-N 3.11Å; N947-H963 PolarHBondContact ND2-O 3.36Å; N947-S964 WeakPolarHBondContact ND2-CA 3.49Å; N947-S964 PolarHBondContact ND2-N 2.92Å; N947-T965 HydrophobicContact CB-CG2 4.35Å; N947-T965 WeakPolarHBondContact OD1-CG2 3.46Å |
| 948 | H | 72.8 | Confident | 68.8 | Low | 112 Ų | 112 | 74.8 Ų | 74.8 | 52% | 0.519 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 118.7 | 169.7 | -65.1 | -93.3 | 0 | 0 | 0 | 109.5 | C941 T959 I960 | C941-H948 PolarHBondContact SG-CE1 3.14Å; H948-T959 HydrophobicContact CB-CG2 3.76Å; H948-T959 WeakPolarHBondContact ND1-CG2 3.19Å; H948-I960 WeakPolarHBondContact CA-O 3.48Å |
| 949 | I | 70.1 | Confident | 68.4 | Low | 20 Ų | 20 | 75.7 Ų | 75.7 | 10% | 0.103 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 124.2 | 172.1 | -55.6 | -170.9 | 0 | 0 | 0 | 108.2 | I952 T959 I960 H962 L967 | I949-I952 HydrophobicContact CG2-CD1 4.14Å; I949-I952 HydrophobicContact CG2-CG1 4.07Å; I949-T959 WeakPolarHBondContact O-CA 3Å; I949-I960 HydrophobicContact CB-CB 4.47Å; I949-I960 PolarHBondContact N-O 2.99Å; I949-I960 PolarHBondContact O-N 3.33Å; I949-H962 HydrophobicContact CD1-CB 3.65Å; I949-H962 HydrophobicContact CG1-CB 4.07Å; I949-L967 HydrophobicContact CD1-CD1 4.3Å; I949-L967 HydrophobicContact CD1-CD2 4.2Å; I949-L967 HydrophobicContact CD1-CG 3.75Å; I949-L967 HydrophobicContact CG2-CD1 4.35Å |
| 950 | V | 63.7 | Low | 68.3 | Low | 71 Ų | 71 | 72.1 Ų | 72.1 | 43% | 0.43 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 148 | -175.5 | -167.2 | 0 | 0 | 0 | 0 | 108 | T959 | V950-T959 HydrophobicContact CG2-CG2 4.08Å |
| 951 | N | 58.8 | Low | 68.2 | Low | 147 Ų | 147 | 65.2 Ų | 65.2 | 79% | 0.786 | 35% | 0.353 | S | S | * | . | trans | 69.1 | 49.9 | -176.8 | -37.9 | -75 | 0 | 0 | 0 | 114.4 | ||||
| 952 | I | 63.4 | Low | 68 | Low | 14 Ų | 14 | 64.6 Ų | 64.6 | 7% | 0.072 | 35% | 0.348 | C | S | . | . | trans | -77.7 | 126 | 159.9 | -57.8 | 169.9 | 0 | 0 | 0 | 106.9 | I949 E954 M955 I960 L967 Y972 | I949-I952 HydrophobicContact CG2-CD1 4.14Å; I949-I952 HydrophobicContact CG2-CG1 4.07Å; I952-E954 PolarHBondContact O-N 3.42Å; I952-E954 VanDerWaalsContact O-N 3.08Å; I952-M955 HydrophobicContact CB-CB 4.45Å; I952-M955 HydrophobicContact CB-CE 3.88Å; I952-M955 HydrophobicContact CD1-CE 3.55Å; I952-M955 HydrophobicContact CG1-CE 4.32Å; I952-M955 HydrophobicContact CG2-CE 3.63Å; I952-M955 PolarHBondContact O-N 2.82Å; I952-I960 HydrophobicContact CD1-CD1 3.61Å; I952-I960 HydrophobicContact CD1-CG1 4.35Å; I952-L967 HydrophobicContact CD1-CD1 3.89Å; I952-L967 HydrophobicContact CG1-CD1 4.35Å; I952-Y972 HydrophobicContact CG2-CE2 3.94Å | ||
| 953 | P | 55.6 | Low | 68 | Low | 103 Ų | 103 | 67.7 Ų | 67.7 | 67% | 0.669 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -30.8 | -168.3 | -30 | 36.3 | 0 | 0 | 0 | 116 | ||
| 954 | E | 58.2 | Low | 67.8 | Low | 110 Ų | 110 | 61.7 Ų | 61.7 | 51% | 0.514 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | 6.8 | -179.4 | -52.2 | 92.4 | 153.8 | 0 | 0 | 113.9 | I952 Y972 M976 | I952-E954 PolarHBondContact O-N 3.42Å; I952-E954 VanDerWaalsContact O-N 3.08Å; E954-Y972 PolarHBondContact OE2-OH 2.81Å; E954-M976 HydrophobicContact CB-CE 3.69Å; E954-M976 HydrophobicContact CB-SD 4.12Å; E954-M976 HydrophobicContact CG-CE 3.53Å; E954-M976 HydrophobicContact CG-SD 4.37Å; E954-M976 WeakPolarHBondContact OE1-CE 3.25Å |
| 955 | M | 59.1 | Low | 67.8 | Low | 12 Ų | 12 | 62.6 Ų | 62.6 | 6% | 0.059 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -132 | 73.5 | 178.4 | -76.9 | 176.3 | -92.3 | 0 | 0 | 111.1 | I952 G957 E958 I960 I975 M976 N979 | I952-M955 HydrophobicContact CB-CB 4.45Å; I952-M955 HydrophobicContact CB-CE 3.88Å; I952-M955 HydrophobicContact CD1-CE 3.55Å; I952-M955 HydrophobicContact CG1-CE 4.32Å; I952-M955 HydrophobicContact CG2-CE 3.63Å; I952-M955 PolarHBondContact O-N 2.82Å; M955-G957 PolarHBondContact O-N 2.9Å; M955-E958 HydrophobicContact CB-CB 4.25Å; M955-E958 HydrophobicContact CB-CG 4.42Å; M955-E958 PolarHBondContact O-N 3.14Å; M955-I960 HydrophobicContact CE-CD1 4Å; M955-I960 HydrophobicContact SD-CD1 3.91Å; M955-I975 HydrophobicContact CE-CG2 3.7Å; M955-M976 HydrophobicContact CE-SD 4.46Å; M955-N979 WeakPolarHBondContact CE-ND2 3.32Å; M955-N979 PolarHBondContact SD-ND2 3.28Å |
| 956 | E | 54.5 | Low | 67.6 | Low | 196 Ų | 196 | 70.5 Ų | 70.5 | 92% | 0.916 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | 107.7 | 176.4 | -68.7 | -166.5 | 135.7 | 0 | 0 | 111.6 | ||
| 957 | G | 59.5 | Low | 67.4 | Low | 78 Ų | 78 | 64.5 Ų | 64.5 | 80% | 0.804 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.3 | -7.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | M955 | M955-G957 PolarHBondContact O-N 2.9Š|
| 958 | E | 64.6 | Low | 67.7 | Low | 12 Ų | 12 | 65.4 Ų | 65.4 | 6% | 0.056 | 36% | 0.357 | C | S | . | . | trans | -80.3 | 148.1 | 178.5 | -58.9 | -156 | 131.8 | 0 | 0 | 113.1 | H890 C891 K895 M955 | H890-E958 VanDerWaalsContact CA-OE1 3.22Å; H890-E958 WeakPolarHBondContact CA-OE1 3.46Å; H890-E958 WeakPolarHBondContact CB-OE1 3.49Å; H890-E958 IonicContact CG-OE1 2.62Å; H890-E958 IonicContact ND1-OE1 2.92Å; H890-E958 PolarHBondContact ND1-OE1 3.32Å; C891-E958 PolarHBondContact N-OE1 3.03Å; K895-E958 WeakPolarHBondContact CD-OE2 3.19Å; K895-E958 WeakPolarHBondContact CE-OE2 3.39Å; K895-E958 IonicContact NZ-OE1 3.3Å; K895-E958 IonicContact NZ-OE2 2.72Å; K895-E958 PolarHBondContact NZ-OE2 2.81Å; M955-E958 HydrophobicContact CB-CB 4.25Å; M955-E958 HydrophobicContact CB-CG 4.42Å; M955-E958 PolarHBondContact O-N 3.14Å | ||
| 959 | T | 74.7 | Confident | 67.7 | Low | 31 Ų | 31 | 64 Ų | 64 | 19% | 0.19 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 121.1 | 172.2 | -63.4 | 0 | 0 | 0 | 0 | 110.2 | V894 K895 H948 I949 V950 | V894-T959 WeakPolarHBondContact CA-O 3.35Å; V894-T959 HydrophobicContact CG1-CG2 4.01Å; K895-T959 PolarHBondContact N-O 2.02Å; H948-T959 HydrophobicContact CB-CG2 3.76Å; H948-T959 WeakPolarHBondContact ND1-CG2 3.19Å; I949-T959 WeakPolarHBondContact O-CA 3Å; V950-T959 HydrophobicContact CG2-CG2 4.08Å |
| 960 | I | 80.3 | Confident | 67.8 | Low | 3 Ų | 3 | 66.4 Ų | 66.4 | 2% | 0.015 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 137.9 | -179.9 | -58.6 | -171 | 0 | 0 | 0 | 111 | K895 P897 H948 I949 I952 M955 I975 | K895-I960 HydrophobicContact CB-CG1 4.33Å; K895-I960 WeakPolarHBondContact O-CA 3.35Å; P897-I960 HydrophobicContact CG-CG2 4.04Å; H948-I960 WeakPolarHBondContact CA-O 3.48Å; I949-I960 HydrophobicContact CB-CB 4.47Å; I949-I960 PolarHBondContact N-O 2.99Å; I949-I960 PolarHBondContact O-N 3.33Å; I952-I960 HydrophobicContact CD1-CD1 3.61Å; I952-I960 HydrophobicContact CD1-CG1 4.35Å; M955-I960 HydrophobicContact CE-CD1 4Å; M955-I960 HydrophobicContact SD-CD1 3.91Å; I960-I975 HydrophobicContact CD1-CG2 3.78Å |
| 961 | C | 81.7 | Confident | 68.2 | Low | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 130.5 | 171.4 | -54.4 | 0 | 0 | 0 | 0 | 111.4 | V894 K895 V896 C941 L945 N947 | V894-C961 VanDerWaalsContact CG2-SG 3.58Å; K895-C961 PolarHBondContact O-N 3.36Å; V896-C961 HydrophobicContact CG2-CB 4.03Å; C941-C961 WeakPolarHBondContact CA-SG 3.44Å; C941-C961 HydrophobicContact CB-CB 3.77Å; C941-C961 WeakPolarHBondContact CB-SG 3.02Å; C941-C961 WeakPolarHBondContact SG-CB 3.4Å; C941-C961 CovalentContact SG-SG 2.03Å; C941-C961 PolarHBondContact SG-SG 2.83Å; L945-C961 HydrophobicContact CB-CB 3.92Å; L945-C961 HydrophobicContact CD1-CB 4.32Å; N947-C961 WeakPolarHBondContact O-CA 3.4Å |
| 962 | H | 78.8 | Confident | 68.7 | Low | 7 Ų | 7 | 60.9 Ų | 60.9 | 3% | 0.032 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 153.5 | -174.3 | -167.1 | -122.8 | 0 | 0 | 0 | 113.3 | F900 N947 I949 S964 Y966 | F900-H962 AromaticContact CE2-CD2 3.54Å; F900-H962 AromaticContact CZ-CD2 3.44Å; F900-H962 VanDerWaalsContact CZ-CD2 3.44Å; F900-H962 WeakPolarHBondContact CZ-CD2 3.03Å; F900-H962 AromaticContact CZ-NE2 3.53Å; N947-H962 WeakPolarHBondContact CB-O 3.29Å; N947-H962 PolarHBondContact N-O 3.15Å; N947-H962 PolarHBondContact ND2-O 3.05Å; N947-H962 PolarHBondContact O-N 3.11Å; I949-H962 HydrophobicContact CD1-CB 3.65Å; I949-H962 HydrophobicContact CG1-CB 4.07Å; H962-S964 VanDerWaalsContact C-N 3.29Å; H962-S964 PolarHBondContact ND1-N 3.13Å; H962-S964 PolarHBondContact ND1-O 3.05Å; H962-S964 PolarHBondContact O-N 3.36Å; H962-Y966 PolarHBondContact CE1-O 3.21Å |
| 963 | H | 76.9 | Confident | 68.9 | Low | 80 Ų | 80 | 66.4 Ų | 66.4 | 37% | 0.37 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -72.5 | -19.1 | 177.6 | -62.5 | -63.5 | 0 | 0 | 0 | 113.6 | F900 D944 L945 Y946 N947 | F900-H963 AromaticContact CD1-CD2 3.76Å; F900-H963 AromaticContact CD1-NE2 3.96Å; D944-H963 PolarHBondContact O-CE1 3.44Å; D944-H963 PolarHBondContact O-ND1 2.86Å; L945-H963 HydrophobicContact CD2-CB 4.43Å; L945-H963 VanDerWaalsContact CD2-CE1 3.44Å; L945-H963 WeakPolarHBondContact CD2-CE1 3.41Å; L945-H963 VanDerWaalsContact CD2-ND1 3.35Å; L945-H963 WeakPolarHBondContact CD2-ND1 3.04Å; Y946-H963 PolarHBondContact OH-O 3.5Å; N947-H963 PolarHBondContact ND2-O 3.36Å |
| 964 | S | 71.1 | Confident | 69.4 | Low | 29 Ų | 29 | 65 Ų | 65 | 20% | 0.203 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -123.9 | 152.2 | 177.5 | -179.6 | 0 | 0 | 0 | 0 | 111.9 | N947 H962 Y966 | N947-S964 WeakPolarHBondContact ND2-CA 3.49Å; N947-S964 PolarHBondContact ND2-N 2.92Å; H962-S964 VanDerWaalsContact C-N 3.29Å; H962-S964 PolarHBondContact ND1-N 3.13Å; H962-S964 PolarHBondContact ND1-O 3.05Å; H962-S964 PolarHBondContact O-N 3.36Å; S964-Y966 WeakPolarHBondContact CB-O 3.17Å; S964-Y966 PolarHBondContact O-N 2.98Å; S964-Y966 VanDerWaalsContact OG-CD2 3.29Å; S964-Y966 WeakPolarHBondContact OG-CD2 3.4Å; S964-Y966 WeakPolarHBondContact OG-CE2 3.44Å; S964-Y966 PolarHBondContact OG-N 3.3Å; S964-Y966 PolarHBondContact OG-O 2.84Å |
| 965 | T | 69.5 | Low | 69.7 | Low | 103 Ų | 103 | 60 Ų | 60 | 63% | 0.632 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -68.2 | -8.2 | 171.5 | 50.6 | 0 | 0 | 0 | 0 | 113.8 | N947 | N947-T965 HydrophobicContact CB-CG2 4.35Å; N947-T965 WeakPolarHBondContact OD1-CG2 3.46Å |
| 966 | Y | 68 | Low | 69.9 | Low | 167 Ų | 167 | 61.3 Ų | 61.3 | 66% | 0.655 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -134 | 141.4 | 177.5 | 40.1 | -91.3 | 0 | 0 | 0 | 110.8 | H962 S964 | H962-Y966 PolarHBondContact CE1-O 3.21Å; S964-Y966 WeakPolarHBondContact CB-O 3.17Å; S964-Y966 PolarHBondContact O-N 2.98Å; S964-Y966 VanDerWaalsContact OG-CD2 3.29Å; S964-Y966 WeakPolarHBondContact OG-CD2 3.4Å; S964-Y966 WeakPolarHBondContact OG-CE2 3.44Å; S964-Y966 PolarHBondContact OG-N 3.3Å; S964-Y966 PolarHBondContact OG-O 2.84Å |
| 967 | L | 67.1 | Low | 70 | Confident | 37 Ų | 37 | 58.6 Ų | 58.6 | 19% | 0.194 | 33% | 0.33 | C | S | . | . | trans | -74.9 | 136.8 | 169 | -74.1 | 159.4 | 0 | 0 | 0 | 109.5 | I949 I952 D971 Y972 I975 | I949-L967 HydrophobicContact CD1-CD1 4.3Å; I949-L967 HydrophobicContact CD1-CD2 4.2Å; I949-L967 HydrophobicContact CD1-CG 3.75Å; I949-L967 HydrophobicContact CG2-CD1 4.35Å; I952-L967 HydrophobicContact CD1-CD1 3.89Å; I952-L967 HydrophobicContact CG1-CD1 4.35Å; L967-D971 HydrophobicContact CD2-CB 3.76Å; L967-Y972 HydrophobicContact CD1-CD2 3.91Å; L967-I975 HydrophobicContact CD2-CD1 3.6Å | ||
| 968 | S | 74.1 | Confident | 69.8 | Low | 41 Ų | 41 | 56.3 Ų | 56.3 | 29% | 0.287 | 30% | 0.299 | S | S | . | . | trans | -70.9 | 159.7 | 160.9 | 79.7 | 0 | 0 | 0 | 0 | 109.6 | S970 D971 Y972 | S968-S970 PolarHBondContact O-N 3.2Å; S968-S970 PolarHBondContact OG-OG 2.79Å; S968-D971 WeakPolarHBondContact CB-OD2 3.49Å; S968-D971 PolarHBondContact O-N 3.24Å; S968-D971 VanDerWaalsContact OG-CG 3.24Å; S968-D971 PolarHBondContact OG-N 2.9Å; S968-D971 PolarHBondContact OG-OD2 2.88Å; S968-Y972 PolarHBondContact O-N 2.87Å | ||
| 969 | A | 71.5 | Confident | 69.2 | Low | 83 Ų | 83 | 58.4 Ų | 58.4 | 69% | 0.686 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -57.6 | -40.4 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y972 E973 | A969-Y972 PolarHBondContact O-N 2.8Å; A969-E973 PolarHBondContact O-N 3.43Å |
| 970 | S | 73.4 | Confident | 67.6 | Low | 71 Ų | 71 | 61.3 Ų | 61.3 | 50% | 0.497 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -61.5 | -39.6 | 171.8 | 32 | 0 | 0 | 0 | 0 | 113.4 | S968 L974 | S968-S970 PolarHBondContact O-N 3.2Å; S968-S970 PolarHBondContact OG-OG 2.79Å; S970-L974 WeakPolarHBondContact O-CB 3.12Å; S970-L974 WeakPolarHBondContact O-CD1 3.33Å; S970-L974 VanDerWaalsContact O-CG 3.24Å; S970-L974 WeakPolarHBondContact O-CG 3.11Å; S970-L974 PolarHBondContact O-N 2.85Å |
| 971 | D | 71.1 | Confident | 65.3 | Low | 30 Ų | 30 | 70.9 Ų | 70.9 | 16% | 0.16 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -71.5 | -33.3 | 177.3 | -70.4 | -60.6 | 0 | 0 | 0 | 112.7 | R899 L967 S968 I975 | R899-D971 IonicContact CZ-OD1 2.79Å; R899-D971 VanDerWaalsContact CZ-OD1 3.3Å; R899-D971 IonicContact NH1-OD1 3.46Å; R899-D971 PolarHBondContact NH1-OD1 3.27Å; R899-D971 PolarHBondContact NH2-O 3.08Å; R899-D971 IonicContact NH2-OD1 3.31Å; R899-D971 PolarHBondContact NH2-OD1 3.13Å; L967-D971 HydrophobicContact CD2-CB 3.76Å; S968-D971 WeakPolarHBondContact CB-OD2 3.49Å; S968-D971 PolarHBondContact O-N 3.24Å; S968-D971 VanDerWaalsContact OG-CG 3.24Å; S968-D971 PolarHBondContact OG-N 2.9Å; S968-D971 PolarHBondContact OG-OD2 2.88Å; D971-I975 WeakPolarHBondContact O-CB 3.48Å; D971-I975 PolarHBondContact O-N 2.8Å |
| 972 | Y | 69.7 | Low | 63 | Low | 72 Ų | 72 | 76.1 Ų | 76.1 | 28% | 0.282 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -65.1 | -51.7 | 173.7 | -163.6 | -78.7 | 0 | 0 | 0 | 110.7 | I952 E954 L967 S968 A969 L974 I975 M976 | I952-Y972 HydrophobicContact CG2-CE2 3.94Å; E954-Y972 PolarHBondContact OE2-OH 2.81Å; L967-Y972 HydrophobicContact CD1-CD2 3.91Å; S968-Y972 PolarHBondContact O-N 2.87Å; A969-Y972 PolarHBondContact O-N 2.8Å; Y972-L974 VanDerWaalsContact C-N 3.31Å; Y972-L974 PolarHBondContact O-N 3.01Å; Y972-I975 PolarHBondContact O-N 3.28Å; Y972-M976 HydrophobicContact CD1-CG 3.67Å; Y972-M976 HydrophobicContact CE1-CG 3.52Å; Y972-M976 HydrophobicContact CE1-SD 4.21Å; Y972-M976 WeakPolarHBondContact O-CB 3.36Å; Y972-M976 VanDerWaalsContact O-CG 3.26Å; Y972-M976 WeakPolarHBondContact O-CG 3.42Å; Y972-M976 PolarHBondContact O-N 3.36Å |
| 973 | E | 66.9 | Low | 60.8 | Low | 130 Ų | 130 | 83.6 Ų | 83.6 | 61% | 0.607 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -58.1 | -42.4 | 176.6 | -74.8 | -169.4 | 135.8 | 0 | 0 | 112.1 | A969 M976 Q977 | A969-E973 PolarHBondContact O-N 3.43Å; E973-M976 PolarHBondContact O-N 2.84Å; E973-Q977 WeakPolarHBondContact O-CB 3.42Å; E973-Q977 WeakPolarHBondContact O-CG 3.14Å; E973-Q977 PolarHBondContact O-N 2.77Å |
| 974 | L | 66.2 | Low | 58.7 | Low | 72 Ų | 72 | 88.8 Ų | 88.8 | 38% | 0.377 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -63.1 | -48.2 | 176.7 | -75.2 | 166.9 | 0 | 0 | 0 | 112.1 | S970 Y972 M976 Q977 D978 | S970-L974 WeakPolarHBondContact O-CB 3.12Å; S970-L974 WeakPolarHBondContact O-CD1 3.33Å; S970-L974 VanDerWaalsContact O-CG 3.24Å; S970-L974 WeakPolarHBondContact O-CG 3.11Å; S970-L974 PolarHBondContact O-N 2.85Å; Y972-L974 VanDerWaalsContact C-N 3.31Å; Y972-L974 PolarHBondContact O-N 3.01Å; L974-M976 VanDerWaalsContact C-N 3.28Å; L974-M976 PolarHBondContact O-N 3.42Å; L974-Q977 PolarHBondContact O-N 3.04Å; L974-D978 PolarHBondContact O-N 2.75Å |
| 975 | I | 65.3 | Low | 56.8 | Low | 7 Ų | 7 | 96.1 Ų | 96.1 | 4% | 0.036 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -66 | -31 | 178.2 | -80.2 | 161.6 | 0 | 0 | 0 | 112.1 | P897 F900 M955 I960 L967 D971 Y972 D978 N979 | P897-I975 HydrophobicContact CG-CD1 4.32Å; P897-I975 HydrophobicContact CG-CG1 4.36Å; F900-I975 HydrophobicContact CE2-CD1 4.39Å; M955-I975 HydrophobicContact CE-CG2 3.7Å; I960-I975 HydrophobicContact CD1-CG2 3.78Å; L967-I975 HydrophobicContact CD2-CD1 3.6Å; D971-I975 WeakPolarHBondContact O-CB 3.48Å; D971-I975 PolarHBondContact O-N 2.8Å; Y972-I975 PolarHBondContact O-N 3.28Å; I975-D978 PolarHBondContact O-N 2.73Å; I975-N979 PolarHBondContact O-ND2 2.87Å |
| 976 | M | 62.5 | Low | 54.9 | Low | 39 Ų | 39 | 100.6 Ų | 100.6 | 19% | 0.192 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -73.1 | -40.5 | 175.3 | -74.1 | -60.7 | -68.7 | 0 | 0 | 112.7 | E954 M955 Y972 E973 L974 D978 N979 | E954-M976 HydrophobicContact CB-CE 3.69Å; E954-M976 HydrophobicContact CB-SD 4.12Å; E954-M976 HydrophobicContact CG-CE 3.53Å; E954-M976 HydrophobicContact CG-SD 4.37Å; E954-M976 WeakPolarHBondContact OE1-CE 3.25Å; M955-M976 HydrophobicContact CE-SD 4.46Å; Y972-M976 HydrophobicContact CD1-CG 3.67Å; Y972-M976 HydrophobicContact CE1-CG 3.52Å; Y972-M976 HydrophobicContact CE1-SD 4.21Å; Y972-M976 WeakPolarHBondContact O-CB 3.36Å; Y972-M976 VanDerWaalsContact O-CG 3.26Å; Y972-M976 WeakPolarHBondContact O-CG 3.42Å; Y972-M976 PolarHBondContact O-N 3.36Å; E973-M976 PolarHBondContact O-N 2.84Å; L974-M976 VanDerWaalsContact C-N 3.28Å; L974-M976 PolarHBondContact O-N 3.42Å; M976-D978 PolarHBondContact O-N 2.84Å; M976-N979 PolarHBondContact O-N 3.45Å |
| 977 | Q | 58 | Low | 52.9 | Low | 138 Ų | 138 | 99.8 Ų | 99.8 | 65% | 0.645 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61.8 | -26.7 | 172.6 | -75.6 | -179 | 10.7 | 0 | 0 | 112.6 | E973 L974 N979 | E973-Q977 WeakPolarHBondContact O-CB 3.42Å; E973-Q977 WeakPolarHBondContact O-CG 3.14Å; E973-Q977 PolarHBondContact O-N 2.77Å; L974-Q977 PolarHBondContact O-N 3.04Å; Q977-N979 VanDerWaalsContact C-N 3.33Å; Q977-N979 PolarHBondContact O-N 2.76Å |
| 978 | D | 54.9 | Low | 51 | Low | 31 Ų | 31 | 105 Ų | 105 | 17% | 0.166 | 53% | 0.527 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -9.4 | -178.1 | -66.2 | -5.3 | 0 | 0 | 0 | 113.9 | K934 L974 I975 M976 | K934-D978 HydrophobicContact CB-CB 4.37Å; K934-D978 HydrophobicContact CD-CB 4.07Å; K934-D978 WeakPolarHBondContact CD-OD1 3.41Å; K934-D978 WeakPolarHBondContact CD-OD2 3.38Å; K934-D978 WeakPolarHBondContact CE-OD1 3.5Å; K934-D978 IonicContact NZ-OD1 3.26Å; K934-D978 PolarHBondContact NZ-OD1 2.8Å; L974-D978 PolarHBondContact O-N 2.75Å; I975-D978 PolarHBondContact O-N 2.73Å; M976-D978 PolarHBondContact O-N 2.84Å |
| 979 | N | 50.5 | Low | 48.7 | Very low | 56 Ų | 56 | 114.4 Ų | 114.4 | 30% | 0.299 | 56% | 0.558 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -112.3 | -14 | -172.8 | -82.5 | -32.7 | 0 | 0 | 0 | 115.9 | K895 M955 I975 M976 Q977 | K895-N979 PolarHBondContact NZ-OD1 3.44Å; M955-N979 WeakPolarHBondContact CE-ND2 3.32Å; M955-N979 PolarHBondContact SD-ND2 3.28Å; I975-N979 PolarHBondContact O-ND2 2.87Å; M976-N979 PolarHBondContact O-N 3.45Å; Q977-N979 VanDerWaalsContact C-N 3.33Å; Q977-N979 PolarHBondContact O-N 2.76Å |
| 980 | V | 42.7 | Very low | 46.6 | Very low | 92 Ų | 92 | 115.3 Ų | 115.3 | 56% | 0.558 | 56% | 0.557 | S | S | * | * | trans | -107.2 | 92.5 | -166.1 | -178.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 981 | Y | 32.3 | Very low | 44.4 | Very low | 204 Ų | 204 | 119.6 Ų | 119.6 | 80% | 0.8 | 57% | 0.574 | S | S | * | * | trans | -176.5 | 100.9 | 148.8 | -95.6 | -58.2 | 0 | 0 | 0 | 112.9 | ||||
| 982 | P | 33.1 | Very low | 42.3 | Very low | 109 Ų | 109 | 123 Ų | 123 | 71% | 0.708 | 60% | 0.6 | S | S | * | * | trans | -102.7 | 140.1 | 177.2 | 36 | -31 | 0 | 0 | 0 | 114 | Q984 | P982-Q984 PolarHBondContact O-N 2.85Å; P982-Q984 VanDerWaalsContact O-N 3.1Å | ||
| 983 | F | 31.4 | Very low | 40.5 | Very low | 165 Ų | 165 | 126 Ų | 126 | 72% | 0.724 | 62% | 0.621 | S | S | * | * | trans | -86.3 | 77.5 | -178.5 | -112.4 | -89.7 | 0 | 0 | 0 | 113.8 | L928 Y985 | L928-F983 HydrophobicContact CD2-CE2 3.77Å; L928-F983 HydrophobicContact CD2-CZ 3.96Å; F983-Y985 PolarHBondContact O-N 3.21Å | ||
| 984 | Q | 34.1 | Very low | 38.7 | Very low | 188 Ų | 188 | 125.8 Ų | 125.8 | 88% | 0.879 | 62% | 0.624 | S | S | * | * | trans | -74.8 | 33.2 | -178.3 | -154.7 | 173.5 | 17.2 | 0 | 0 | 114.2 | P982 | P982-Q984 PolarHBondContact O-N 2.85Å; P982-Q984 VanDerWaalsContact O-N 3.1Å | ||
| 985 | Y | 30.9 | Very low | 37.1 | Very low | 184 Ų | 184 | 129.9 Ų | 129.9 | 72% | 0.722 | 64% | 0.64 | S | S | * | * | trans | -119.1 | 23.8 | -148.9 | -123.3 | -77.8 | 0 | 0 | 0 | 116.8 | F983 | F983-Y985 PolarHBondContact O-N 3.21Š| ||
| 986 | F | 29.5 | Very low | 35.3 | Very low | 197 Ų | 197 | 136.7 Ų | 136.7 | 86% | 0.864 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -136.2 | 53.7 | 175.5 | -88.6 | -74.5 | 0 | 0 | 0 | 113.5 | ||
| 987 | N | 26.1 | Very low | 33.8 | Very low | 150 Ų | 150 | 140.9 Ų | 140.9 | 80% | 0.802 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -147.3 | 140.7 | 158.8 | -90.5 | -46.8 | 0 | 0 | 0 | 109.7 | ||
| 988 | N | 26.1 | Very low | 32.2 | Very low | 147 Ų | 147 | 142.9 Ų | 142.9 | 79% | 0.786 | 71% | 0.705 | S | S | * | * | trans | 58.9 | 86.2 | 170.3 | -55.7 | -26.2 | 0 | 0 | 0 | 118.5 | ||||
| 989 | Y | 26.7 | Very low | 31 | Very low | 238 Ų | 238 | 147.6 Ų | 147.6 | 93% | 0.933 | 73% | 0.726 | S | S | * | * | trans | -144.1 | 144.9 | 141 | -104.9 | -85.1 | 0 | 0 | 0 | 110.5 | ||||
| 990 | P | 28.2 | Very low | 29.8 | Very low | 101 Ų | 101 | 153.8 Ų | 153.8 | 66% | 0.656 | 75% | 0.754 | S | S | * | * | trans | -137.7 | -162.8 | -145.2 | 40.5 | -19.9 | 0 | 0 | 0 | 116 | ||||
| 991 | L | 25.5 | Very low | 29.1 | Very low | 162 Ų | 162 | 152.6 Ų | 152.6 | 85% | 0.848 | 76% | 0.759 | S | S | * | * | trans | 71.4 | 122.1 | 159 | -67.6 | 162.2 | 0 | 0 | 0 | 119.7 | ||||
| 992 | S | 28.7 | Very low | 28.8 | Very low | 101 Ų | 101 | 149.1 Ų | 149.1 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | -170.7 | 143 | 122.4 | -161.4 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 993 | N | 31.8 | Very low | 28.4 | Very low | 136 Ų | 136 | 149.5 Ų | 149.5 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | trans | 67.1 | 122.2 | 167.3 | -67.9 | -18.7 | 0 | 0 | 0 | 120 | ||||
| 994 | N | 28.5 | Very low | 28.3 | Very low | 125 Ų | 125 | 146.5 Ų | 146.5 | 67% | 0.668 | 77% | 0.771 | S | S | * | * | cis | -171.6 | 168 | -45.9 | -99.1 | -19 | 0 | 0 | 0 | 109.3 | ||||
| 995 | H | 32.5 | Very low | 28.1 | Very low | 157 Ų | 157 | 140.8 Ų | 140.8 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | trans | 72.5 | 107.5 | -172.4 | -58.7 | -78.7 | 0 | 0 | 0 | 113.1 | ||||
| 996 | Q | 28.5 | Very low | 28 | Very low | 150 Ų | 150 | 139.3 Ų | 139.3 | 70% | 0.701 | 77% | 0.765 | S | S | * | * | 75.9 | 129.3 | 67.5 | -72.7 | 176.6 | -32.4 | 0 | 0 | 111.9 | |||||
| 997 | Q | 29.8 | Very low | 27.9 | Very low | 128 Ų | 128 | 137.3 Ų | 137.3 | 60% | 0.598 | 76% | 0.762 | S | S | * | * | cis | -141 | 143.1 | -0.6 | -109.2 | 146 | -66.2 | 0 | 0 | 109.6 | E999 | Q997-E999 PolarHBondContact NE2-OE1 2.89Š| ||
| 998 | L | 23.5 | Very low | 28.1 | Very low | 179 Ų | 179 | 133.4 Ų | 133.4 | 94% | 0.937 | 76% | 0.757 | S | S | * | * | trans | -112.7 | 76.5 | 166.6 | -166 | 81.7 | 0 | 0 | 0 | 108.5 | ||||
| 999 | E | 30.3 | Very low | 28.1 | Very low | 131 Ų | 131 | 132.8 Ų | 132.8 | 61% | 0.612 | 75% | 0.753 | S | S | * | * | trans | -95.7 | 116.4 | 170.8 | -79.9 | 168.2 | -155.7 | 0 | 0 | 107.8 | Q997 | Q997-E999 PolarHBondContact NE2-OE1 2.89Š| ||
| 1000 | Q | 26.8 | Very low | 28.1 | Very low | 186 Ų | 186 | 131.6 Ų | 131.6 | 87% | 0.869 | 75% | 0.747 | S | S | * | * | 60.2 | 116.5 | 97.7 | -66.6 | -171.8 | 15.5 | 0 | 0 | 113.5 | |||||
| 1001 | G | 27 | Very low | 27.9 | Very low | 66 Ų | 66 | 135.3 Ų | 135.3 | 68% | 0.68 | 75% | 0.753 | S | S | * | * | trans | 115.6 | 106.1 | 162.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1002 | T | 25.3 | Very low | 27.9 | Very low | 131 Ų | 131 | 132.8 Ų | 132.8 | 80% | 0.804 | 75% | 0.749 | S | S | * | * | 27.7 | 121.4 | 126.4 | 53.3 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 1003 | S | 26 | Very low | 27.8 | Very low | 117 Ų | 117 | 132.7 Ų | 132.7 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | trans | 78.5 | 137.5 | 144.1 | 74.8 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1004 | A | 27.9 | Very low | 27.4 | Very low | 103 Ų | 103 | 130.6 Ų | 130.6 | 85% | 0.851 | 74% | 0.744 | S | S | * | * | trans | 50 | 106.1 | 149.7 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1005 | G | 29.6 | Very low | 27.3 | Very low | 68 Ų | 68 | 133.7 Ų | 133.7 | 70% | 0.701 | 75% | 0.748 | S | S | * | * | 125.1 | 140.4 | 112.2 | 0 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 1006 | I | 29.2 | Very low | 27.2 | Very low | 152 Ų | 152 | 134.7 Ų | 134.7 | 78% | 0.779 | 75% | 0.75 | S | S | * | * | 77.6 | 110.4 | 126.9 | -65.7 | 174.8 | 0 | 0 | 0 | 119.1 | |||||
| 1007 | I | 28.7 | Very low | 27.2 | Very low | 155 Ų | 155 | 131 Ų | 131 | 80% | 0.795 | 74% | 0.742 | S | S | * | * | trans | 55.3 | 132 | 142.4 | -54.1 | 173.7 | 0 | 0 | 0 | 118.1 | ||||
| 1008 | G | 28.5 | Very low | 27.1 | Very low | 68 Ų | 68 | 130.3 Ų | 130.3 | 70% | 0.701 | 75% | 0.751 | S | S | * | * | cis | 144.3 | -171.2 | 6 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1009 | L | 28 | Very low | 27.6 | Very low | 135 Ų | 135 | 127.4 Ų | 127.4 | 71% | 0.707 | 74% | 0.74 | S | S | * | * | trans | 72.4 | 104 | 162.6 | -59 | 173.2 | 0 | 0 | 0 | 121.8 | ||||
| 1010 | R | 25.5 | Very low | 27.5 | Very low | 212 Ų | 212 | 128.6 Ų | 128.6 | 80% | 0.8 | 75% | 0.751 | S | S | * | * | 75.2 | 131.4 | 120.4 | -73.7 | -177.6 | 174.2 | 168.7 | -0.8 | 123.2 | |||||
| 1011 | K | 25.2 | Very low | 27.8 | Very low | 179 Ų | 179 | 123 Ų | 123 | 78% | 0.778 | 74% | 0.742 | S | S | * | * | trans | 85.7 | 100 | 131.4 | -83.6 | -172.1 | 173.1 | -170.6 | 0 | 121.5 | ||||
| 1012 | S | 25.4 | Very low | 27.9 | Very low | 110 Ų | 110 | 124.9 Ų | 124.9 | 77% | 0.769 | 75% | 0.745 | S | S | * | * | 76.6 | 144.5 | 114.1 | 70.5 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 1013 | S | 24.8 | Very low | 28.1 | Very low | 99 Ų | 99 | 124.5 Ų | 124.5 | 69% | 0.692 | 74% | 0.737 | S | S | * | * | trans | 113.7 | 105 | 134.7 | -159.9 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1014 | S | 24.5 | Very low | 28.2 | Very low | 92 Ų | 92 | 125.9 Ų | 125.9 | 64% | 0.643 | 73% | 0.732 | S | S | * | * | trans | 73.5 | 178 | 135.2 | 71.8 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1015 | Y | 27.1 | Very low | 28.4 | Very low | 190 Ų | 190 | 126.5 Ų | 126.5 | 75% | 0.745 | 72% | 0.717 | S | S | * | * | trans | 69.2 | 138.6 | -167.6 | -61.5 | -96.5 | 0 | 0 | 0 | 114 | ||||
| 1016 | F | 29.9 | Very low | 28.4 | Very low | 177 Ų | 177 | 132.2 Ų | 132.2 | 78% | 0.776 | 72% | 0.718 | S | S | * | * | cis | -169.5 | 163.3 | -13.4 | -120.1 | -159.5 | 0 | 0 | 0 | 107.1 | ||||
| 1017 | S | 28.3 | Very low | 28.6 | Very low | 74 Ų | 74 | 133.5 Ų | 133.5 | 52% | 0.517 | 72% | 0.718 | S | S | . | * | cis | -177.1 | 144.8 | -22.3 | 49.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1018 | S | 27.5 | Very low | 28.6 | Very low | 112 Ų | 112 | 133.4 Ų | 133.4 | 78% | 0.783 | 72% | 0.718 | S | S | * | * | trans | 66.1 | 165.7 | 170.3 | 74.3 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1019 | V | 34.3 | Very low | 28.9 | Very low | 118 Ų | 118 | 139.1 Ų | 139.1 | 72% | 0.715 | 72% | 0.724 | S | S | * | * | cis | -141.4 | 132.7 | 28.6 | 175.2 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1020 | N | 28.8 | Very low | 29.3 | Very low | 157 Ų | 157 | 138.9 Ų | 138.9 | 84% | 0.84 | 72% | 0.723 | S | S | * | * | trans | 19.2 | 146.4 | 147.1 | -49.9 | -21.1 | 0 | 0 | 0 | 124.5 | ||||
| 1021 | G | 32.1 | Very low | 29.9 | Very low | 67 Ų | 67 | 135.7 Ų | 135.7 | 69% | 0.691 | 72% | 0.722 | S | S | * | * | trans | 129.5 | 98 | 163.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1022 | S | 29 | Very low | 30.5 | Very low | 106 Ų | 106 | 132.3 Ų | 132.3 | 74% | 0.741 | 72% | 0.718 | S | S | * | * | cis | 65.6 | 140.4 | 21.9 | 89.1 | 0 | 0 | 0 | 0 | 114 | ||||
| 1023 | I | 29.2 | Very low | 31.2 | Very low | 123 Ų | 123 | 131.5 Ų | 131.5 | 63% | 0.631 | 71% | 0.708 | S | S | * | * | cis | -150 | 164.3 | 20.8 | -39.4 | 162.9 | 0 | 0 | 0 | 110.3 | ||||
| 1024 | M | 29.4 | Very low | 32.3 | Very low | 146 Ų | 146 | 133.9 Ų | 133.9 | 72% | 0.719 | 71% | 0.712 | S | S | * | * | trans | 119.4 | 139.4 | 144.1 | -62.5 | -56.3 | 176.3 | 0 | 0 | 116.9 | ||||
| 1025 | H | 31.6 | Very low | 33.5 | Very low | 116 Ų | 116 | 136.9 Ų | 136.9 | 54% | 0.537 | 72% | 0.72 | S | S | . | * | cis | -167.6 | 148.5 | -35.2 | -130.5 | -178.5 | 0 | 0 | 0 | 112.1 | ||||
| 1026 | R | 29 | Very low | 34.8 | Very low | 188 Ų | 188 | 132.7 Ų | 132.7 | 71% | 0.709 | 71% | 0.709 | S | S | * | * | trans | 28.1 | 146.3 | 131 | -72.7 | 179.2 | -176.3 | 161.6 | -2.5 | 120.3 | ||||
| 1027 | K | 33.3 | Very low | 35.9 | Very low | 180 Ų | 180 | 129.5 Ų | 129.5 | 78% | 0.783 | 70% | 0.698 | S | S | * | * | cis | -154.8 | 149.5 | 26 | -106.3 | 137.3 | 171.7 | -172.6 | 0 | 108.6 | ||||
| 1028 | L | 30 | Very low | 37.3 | Very low | 152 Ų | 152 | 131.4 Ų | 131.4 | 80% | 0.796 | 70% | 0.701 | S | S | * | * | cis | 90.6 | 130.9 | 49.5 | -138.3 | 106.7 | 0 | 0 | 0 | 114.6 | ||||
| 1029 | K | 33.4 | Very low | 38.7 | Very low | 189 Ų | 189 | 129.3 Ų | 129.3 | 82% | 0.822 | 69% | 0.685 | S | S | * | * | trans | 101.8 | 146.2 | 179.6 | -68.4 | -171.2 | 173.7 | -168.2 | 0 | 114.9 | ||||
| 1030 | N | 37.2 | Very low | 40.1 | Very low | 130 Ų | 130 | 127.5 Ų | 127.5 | 70% | 0.695 | 67% | 0.671 | S | S | * | * | cis | 162.2 | 165.2 | -25.6 | -107.5 | 41.4 | 0 | 0 | 0 | 105.8 | ||||
| 1031 | D | 37.7 | Very low | 41.8 | Very low | 145 Ų | 145 | 123.1 Ų | 123.1 | 78% | 0.775 | 65% | 0.652 | S | S | * | * | trans | 78.6 | 149.2 | 162.7 | -60.2 | -44.2 | 0 | 0 | 0 | 118.3 | ||||
| 1032 | P | 38.7 | Very low | 43.8 | Very low | 107 Ų | 107 | 124.6 Ų | 124.6 | 70% | 0.695 | 64% | 0.643 | S | S | * | * | -125.4 | 147.4 | -128.9 | 40.4 | -29.2 | 0 | 0 | 0 | 116.9 | |||||
| 1033 | V | 39.3 | Very low | 46 | Very low | 93 Ų | 93 | 124.5 Ų | 124.5 | 56% | 0.564 | 63% | 0.633 | S | S | * | * | trans | -130.7 | 25.9 | 174.5 | -159.7 | 0 | 0 | 0 | 0 | 113 | L1035 I1036 | V1033-L1035 PolarHBondContact O-N 2.82Å; V1033-I1036 HydrophobicContact CG1-CB 3.99Å; V1033-I1036 HydrophobicContact CG1-CD1 4.26Å; V1033-I1036 HydrophobicContact CG1-CG1 4.33Å | ||
| 1034 | I | 47.8 | Very low | 48.1 | Very low | 149 Ų | 149 | 124.2 Ų | 124.2 | 76% | 0.764 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.5 | -18.7 | 178.7 | -71.1 | 175.1 | 0 | 0 | 0 | 112.7 | ||
| 1035 | L | 50.4 | Low | 50.3 | Low | 155 Ų | 155 | 122.5 Ų | 122.5 | 81% | 0.812 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.2 | -11.4 | -176.2 | -83 | 161.8 | 0 | 0 | 0 | 116 | V1033 | V1033-L1035 PolarHBondContact O-N 2.82Š|
| 1036 | I | 53.7 | Low | 52.4 | Low | 103 Ų | 103 | 120.6 Ų | 120.6 | 53% | 0.528 | 62% | 0.621 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -102.4 | -23.8 | -175.8 | -57.8 | -178.6 | 0 | 0 | 0 | 112.2 | V1033 I1038 P1039 L1040 | V1033-I1036 HydrophobicContact CG1-CB 3.99Å; V1033-I1036 HydrophobicContact CG1-CD1 4.26Å; V1033-I1036 HydrophobicContact CG1-CG1 4.33Å; I1036-I1038 PolarHBondContact O-N 2.73Å; I1036-P1039 WeakPolarHBondContact O-CD 3.4Å; I1036-L1040 HydrophobicContact CG2-CD1 3.98Å; I1036-L1040 HydrophobicContact CG2-CG 4.48Å; I1036-L1040 PolarHBondContact O-N 3.3Å |
| 1037 | M | 52.8 | Low | 54.8 | Low | 110 Ų | 110 | 118.1 Ų | 118.1 | 54% | 0.542 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -69.5 | -30.7 | -178.8 | -63.4 | -56.9 | -68.7 | 0 | 0 | 113.5 | L1040 C1041 | M1037-L1040 PolarHBondContact O-N 3.04Å; M1037-C1041 WeakPolarHBondContact O-CB 3.42Å; M1037-C1041 PolarHBondContact O-N 2.69Å; M1037-C1041 PolarHBondContact O-SG 3.33Å |
| 1038 | I | 57.7 | Low | 56.7 | Low | 114 Ų | 114 | 112.5 Ų | 112.5 | 59% | 0.585 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -67.9 | -50 | -179.6 | -63.3 | 171.1 | 0 | 0 | 0 | 111.6 | I1036 L1040 C1041 I1042 | I1036-I1038 PolarHBondContact O-N 2.73Å; I1038-L1040 VanDerWaalsContact C-N 3.33Å; I1038-L1040 PolarHBondContact O-N 3.35Å; I1038-C1041 PolarHBondContact O-N 2.82Å; I1038-I1042 HydrophobicContact CG2-CD1 4.08Å; I1038-I1042 WeakPolarHBondContact O-CG1 3.36Å; I1038-I1042 PolarHBondContact O-N 3.45Å |
| 1039 | P | 58.4 | Low | 58.9 | Low | 67 Ų | 67 | 108.8 Ų | 108.8 | 44% | 0.435 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -58.3 | -40.2 | 171.4 | -26.8 | 35.1 | 0 | 0 | 0 | 113.6 | I1036 I1042 I1043 | I1036-P1039 WeakPolarHBondContact O-CD 3.4Å; P1039-I1042 PolarHBondContact O-N 2.86Å; P1039-I1043 WeakPolarHBondContact O-CB 3.36Å; P1039-I1043 VanDerWaalsContact O-CG1 3.3Å; P1039-I1043 WeakPolarHBondContact O-CG1 3.43Å; P1039-I1043 PolarHBondContact O-N 3.19Å |
| 1040 | L | 63.1 | Low | 61 | Low | 80 Ų | 80 | 104.1 Ų | 104.1 | 42% | 0.419 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -65.8 | -40.7 | 177.2 | -77.4 | 172.7 | 0 | 0 | 0 | 112.4 | I1036 M1037 I1038 I1042 I1043 L1044 | I1036-L1040 HydrophobicContact CG2-CD1 3.98Å; I1036-L1040 HydrophobicContact CG2-CG 4.48Å; I1036-L1040 PolarHBondContact O-N 3.3Å; M1037-L1040 PolarHBondContact O-N 3.04Å; I1038-L1040 VanDerWaalsContact C-N 3.33Å; I1038-L1040 PolarHBondContact O-N 3.35Å; L1040-I1042 VanDerWaalsContact C-N 3.35Å; L1040-I1042 PolarHBondContact O-N 3.42Å; L1040-I1043 PolarHBondContact O-N 2.95Å; L1040-L1044 WeakPolarHBondContact O-CB 3.21Å; L1040-L1044 VanDerWaalsContact O-CG 3.26Å; L1040-L1044 WeakPolarHBondContact O-CG 3.44Å; L1040-L1044 PolarHBondContact O-N 3.49Å |
| 1041 | C | 64 | Low | 62.9 | Low | 66 Ų | 66 | 101.7 Ų | 101.7 | 45% | 0.446 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -62.3 | -40.5 | 172.1 | -74.5 | 0 | 0 | 0 | 0 | 111.8 | M1037 I1038 L1044 I1045 | M1037-C1041 WeakPolarHBondContact O-CB 3.42Å; M1037-C1041 PolarHBondContact O-N 2.69Å; M1037-C1041 PolarHBondContact O-SG 3.33Å; I1038-C1041 PolarHBondContact O-N 2.82Å; C1041-L1044 PolarHBondContact O-N 3.43Å; C1041-I1045 WeakPolarHBondContact O-CB 3.22Å; C1041-I1045 WeakPolarHBondContact O-CD1 3.46Å; C1041-I1045 WeakPolarHBondContact O-CG1 3.22Å; C1041-I1045 PolarHBondContact O-N 3.15Å |
| 1042 | I | 74.6 | Confident | 64.5 | Low | 98 Ų | 98 | 99.4 Ų | 99.4 | 50% | 0.503 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64.6 | -44.2 | 175.4 | -67.8 | 166.6 | 0 | 0 | 0 | 111 | I1038 P1039 L1040 I1045 V1046 | I1038-I1042 HydrophobicContact CG2-CD1 4.08Å; I1038-I1042 WeakPolarHBondContact O-CG1 3.36Å; I1038-I1042 PolarHBondContact O-N 3.45Å; P1039-I1042 PolarHBondContact O-N 2.86Å; L1040-I1042 VanDerWaalsContact C-N 3.35Å; L1040-I1042 PolarHBondContact O-N 3.42Å; I1042-I1045 PolarHBondContact O-N 3.45Å; I1042-V1046 HydrophobicContact CG2-CG2 4.5Å; I1042-V1046 WeakPolarHBondContact O-CB 3.3Å; I1042-V1046 WeakPolarHBondContact O-CG2 3.48Å; I1042-V1046 PolarHBondContact O-N 2.85Å |
| 1043 | I | 75.8 | Confident | 66.2 | Low | 103 Ų | 103 | 98.9 Ų | 98.9 | 53% | 0.528 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.3 | -43.4 | 176.8 | -70.8 | 164.4 | 0 | 0 | 0 | 110.8 | P1039 L1040 V1046 F1047 | P1039-I1043 WeakPolarHBondContact O-CB 3.36Å; P1039-I1043 VanDerWaalsContact O-CG1 3.3Å; P1039-I1043 WeakPolarHBondContact O-CG1 3.43Å; P1039-I1043 PolarHBondContact O-N 3.19Å; L1040-I1043 PolarHBondContact O-N 2.95Å; I1043-V1046 PolarHBondContact O-N 3.36Å; I1043-F1047 WeakPolarHBondContact O-CB 3.35Å; I1043-F1047 PolarHBondContact O-N 2.8Å |
| 1044 | L | 72 | Confident | 67.6 | Low | 118 Ų | 118 | 98.1 Ų | 98.1 | 62% | 0.618 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -65.8 | -37.2 | 176.1 | -72.9 | 168.3 | 0 | 0 | 0 | 112.2 | L1040 C1041 F1047 A1048 | L1040-L1044 WeakPolarHBondContact O-CB 3.21Å; L1040-L1044 VanDerWaalsContact O-CG 3.26Å; L1040-L1044 WeakPolarHBondContact O-CG 3.44Å; L1040-L1044 PolarHBondContact O-N 3.49Å; C1041-L1044 PolarHBondContact O-N 3.43Å; L1044-F1047 PolarHBondContact O-N 3.15Å; L1044-A1048 WeakPolarHBondContact O-CB 3.3Å; L1044-A1048 PolarHBondContact O-N 3.09Å |
| 1045 | I | 75.5 | Confident | 68.6 | Low | 109 Ų | 109 | 97.1 Ų | 97.1 | 56% | 0.559 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -65.2 | -45.6 | 172.8 | -72.5 | 163.5 | 0 | 0 | 0 | 110.5 | C1041 I1042 F1047 A1048 V1049 | C1041-I1045 WeakPolarHBondContact O-CB 3.22Å; C1041-I1045 WeakPolarHBondContact O-CD1 3.46Å; C1041-I1045 WeakPolarHBondContact O-CG1 3.22Å; C1041-I1045 PolarHBondContact O-N 3.15Å; I1042-I1045 PolarHBondContact O-N 3.45Å; I1045-F1047 PolarHBondContact O-N 2.7Å; I1045-A1048 PolarHBondContact O-N 2.94Å; I1045-V1049 HydrophobicContact CG2-CG2 4.49Å; I1045-V1049 WeakPolarHBondContact O-CB 3.41Å; I1045-V1049 VanDerWaalsContact O-CG2 3.27Å; I1045-V1049 WeakPolarHBondContact O-CG2 3.46Å; I1045-V1049 PolarHBondContact O-N 3.02Å |
| 1046 | V | 77 | Confident | 69 | Low | 77 Ų | 77 | 97.6 Ų | 97.6 | 47% | 0.467 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.4 | -41.4 | 176.5 | 169.8 | 0 | 0 | 0 | 0 | 111.1 | I1042 I1043 V1049 L1050 | I1042-V1046 HydrophobicContact CG2-CG2 4.5Å; I1042-V1046 WeakPolarHBondContact O-CB 3.3Å; I1042-V1046 WeakPolarHBondContact O-CG2 3.48Å; I1042-V1046 PolarHBondContact O-N 2.85Å; I1043-V1046 PolarHBondContact O-N 3.36Å; V1046-V1049 PolarHBondContact O-N 3.44Å; V1046-L1050 HydrophobicContact CG1-CD1 3.94Å; V1046-L1050 HydrophobicContact CG1-CG 4.41Å; V1046-L1050 WeakPolarHBondContact O-CB 3.46Å; V1046-L1050 VanDerWaalsContact O-CG 3.3Å; V1046-L1050 WeakPolarHBondContact O-CG 3.43Å; V1046-L1050 PolarHBondContact O-N 3.39Å |
| 1047 | F | 77.7 | Confident | 69.2 | Low | 136 Ų | 136 | 100.3 Ų | 100.3 | 60% | 0.596 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -68.9 | -39.8 | 177.5 | -149 | -88.2 | 0 | 0 | 0 | 111.7 | I1043 L1044 I1045 L1050 V1051 | I1043-F1047 WeakPolarHBondContact O-CB 3.35Å; I1043-F1047 PolarHBondContact O-N 2.8Å; L1044-F1047 PolarHBondContact O-N 3.15Å; I1045-F1047 PolarHBondContact O-N 2.7Å; F1047-L1050 PolarHBondContact O-N 3.06Å; F1047-V1051 HydrophobicContact CD1-CG2 3.83Å; F1047-V1051 HydrophobicContact CE1-CG2 3.88Å; F1047-V1051 WeakPolarHBondContact O-CB 3.22Å; F1047-V1051 VanDerWaalsContact O-CG2 3.27Å; F1047-V1051 WeakPolarHBondContact O-CG2 3.47Å; F1047-V1051 PolarHBondContact O-N 2.84Å |
| 1048 | A | 74.5 | Confident | 69.2 | Low | 61 Ų | 61 | 105 Ų | 105 | 50% | 0.504 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.2 | -39.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112 | L1044 I1045 F1052 | L1044-A1048 WeakPolarHBondContact O-CB 3.3Å; L1044-A1048 PolarHBondContact O-N 3.09Å; I1045-A1048 PolarHBondContact O-N 2.94Å; A1048-F1052 WeakPolarHBondContact O-CB 3.4Å; A1048-F1052 PolarHBondContact O-N 3.25Å |
| 1049 | V | 75.8 | Confident | 68.9 | Low | 75 Ų | 75 | 102.7 Ų | 102.7 | 46% | 0.455 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.7 | -43.6 | 173.9 | 167.3 | 0 | 0 | 0 | 0 | 111.2 | I1045 V1046 F1052 I1053 | I1045-V1049 HydrophobicContact CG2-CG2 4.49Å; I1045-V1049 WeakPolarHBondContact O-CB 3.41Å; I1045-V1049 VanDerWaalsContact O-CG2 3.27Å; I1045-V1049 WeakPolarHBondContact O-CG2 3.46Å; I1045-V1049 PolarHBondContact O-N 3.02Å; V1046-V1049 PolarHBondContact O-N 3.44Å; V1049-F1052 PolarHBondContact O-N 2.82Å; V1049-I1053 HydrophobicContact CG1-CD1 3.75Å; V1049-I1053 HydrophobicContact CG1-CG1 4.45Å; V1049-I1053 WeakPolarHBondContact O-CB 3.2Å; V1049-I1053 VanDerWaalsContact O-CG1 3.24Å; V1049-I1053 WeakPolarHBondContact O-CG1 3.33Å; V1049-I1053 PolarHBondContact O-N 3.47Å |
| 1050 | L | 76.8 | Confident | 68.4 | Low | 91 Ų | 91 | 104.7 Ų | 104.7 | 48% | 0.476 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.1 | -41.2 | 176 | -75 | 172 | 0 | 0 | 0 | 112 | V1046 F1047 I1053 C1054 | V1046-L1050 HydrophobicContact CG1-CD1 3.94Å; V1046-L1050 HydrophobicContact CG1-CG 4.41Å; V1046-L1050 WeakPolarHBondContact O-CB 3.46Å; V1046-L1050 VanDerWaalsContact O-CG 3.3Å; V1046-L1050 WeakPolarHBondContact O-CG 3.43Å; V1046-L1050 PolarHBondContact O-N 3.39Å; F1047-L1050 PolarHBondContact O-N 3.06Å; L1050-I1053 PolarHBondContact O-N 3.15Å; L1050-C1054 WeakPolarHBondContact O-CB 3.37Å; L1050-C1054 PolarHBondContact O-N 2.83Å; L1050-C1054 PolarHBondContact O-SG 3.14Å |
| 1051 | V | 76.9 | Confident | 67.5 | Low | 78 Ų | 78 | 106.4 Ų | 106.4 | 47% | 0.473 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -66.1 | -38.7 | 172.7 | 171.2 | 0 | 0 | 0 | 0 | 110.7 | F1047 C1054 Y1055 | F1047-V1051 HydrophobicContact CD1-CG2 3.83Å; F1047-V1051 HydrophobicContact CE1-CG2 3.88Å; F1047-V1051 WeakPolarHBondContact O-CB 3.22Å; F1047-V1051 VanDerWaalsContact O-CG2 3.27Å; F1047-V1051 WeakPolarHBondContact O-CG2 3.47Å; F1047-V1051 PolarHBondContact O-N 2.84Å; V1051-C1054 PolarHBondContact O-N 3.1Å; V1051-Y1055 WeakPolarHBondContact O-CB 3.45Å; V1051-Y1055 PolarHBondContact O-N 2.85Å |
| 1052 | F | 72.6 | Confident | 66.4 | Low | 98 Ų | 98 | 112 Ų | 112 | 43% | 0.43 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -66.2 | -38.3 | 175.5 | -170.1 | -82.3 | 0 | 0 | 0 | 112.3 | K609 A1048 V1049 R1056 | K609-F1052 HydrophobicContact CD-CD2 4.47Å; K609-F1052 HydrophobicContact CD-CE2 4.32Å; A1048-F1052 WeakPolarHBondContact O-CB 3.4Å; A1048-F1052 PolarHBondContact O-N 3.25Å; V1049-F1052 PolarHBondContact O-N 2.82Å; F1052-R1056 HydrophobicContact CE1-CG 4.38Å; F1052-R1056 PolarHBondContact O-N 2.9Å |
| 1053 | I | 73.3 | Confident | 64.7 | Low | 95 Ų | 95 | 117.5 Ų | 117.5 | 49% | 0.487 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -66.2 | -48.9 | 173.1 | -71.1 | 165.8 | 0 | 0 | 0 | 110.2 | V1049 L1050 Y1055 R1056 Y1057 | V1049-I1053 HydrophobicContact CG1-CD1 3.75Å; V1049-I1053 HydrophobicContact CG1-CG1 4.45Å; V1049-I1053 WeakPolarHBondContact O-CB 3.2Å; V1049-I1053 VanDerWaalsContact O-CG1 3.24Å; V1049-I1053 WeakPolarHBondContact O-CG1 3.33Å; V1049-I1053 PolarHBondContact O-N 3.47Å; L1050-I1053 PolarHBondContact O-N 3.15Å; I1053-Y1055 VanDerWaalsContact C-N 3.3Å; I1053-Y1055 PolarHBondContact O-N 2.6Å; I1053-R1056 PolarHBondContact O-N 3.19Å; I1053-Y1057 WeakPolarHBondContact O-CB 3.33Å; I1053-Y1057 PolarHBondContact O-N 2.03Å |
| 1054 | C | 70.2 | Confident | 62.8 | Low | 78 Ų | 78 | 118.9 Ų | 118.9 | 53% | 0.527 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -63.7 | -35.2 | 177 | -67.5 | 0 | 0 | 0 | 0 | 112.3 | L1050 V1051 Y1057 R1058 | L1050-C1054 WeakPolarHBondContact O-CB 3.37Å; L1050-C1054 PolarHBondContact O-N 2.83Å; L1050-C1054 PolarHBondContact O-SG 3.14Å; V1051-C1054 PolarHBondContact O-N 3.1Å; C1054-Y1057 PolarHBondContact O-N 3.32Å; C1054-R1058 PolarHBondContact O-N 3.23Å |
| 1055 | Y | 67.4 | Low | 60.9 | Low | 128 Ų | 128 | 123 Ų | 123 | 50% | 0.502 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -67 | -46 | 173.8 | -171.8 | -76.6 | 0 | 0 | 0 | 110.8 | V1051 I1053 Y1057 R1058 S1059 | V1051-Y1055 WeakPolarHBondContact O-CB 3.45Å; V1051-Y1055 PolarHBondContact O-N 2.85Å; I1053-Y1055 VanDerWaalsContact C-N 3.3Å; I1053-Y1055 PolarHBondContact O-N 2.6Å; Y1055-Y1057 VanDerWaalsContact C-N 3.29Å; Y1055-Y1057 PolarHBondContact O-N 2.76Å; Y1055-R1058 PolarHBondContact O-N 2.81Å; Y1055-S1059 WeakPolarHBondContact O-CB 3.3Å; Y1055-S1059 PolarHBondContact O-N 3.22Å |
| 1056 | R | 58.8 | Low | 58.9 | Low | 164 Ų | 164 | 127 Ų | 127 | 62% | 0.619 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -63.3 | -35.5 | 172.6 | -94.1 | -168.1 | 163.3 | -179.8 | -3.5 | 112.2 | F1052 I1053 N1060 | F1052-R1056 HydrophobicContact CE1-CG 4.38Å; F1052-R1056 PolarHBondContact O-N 2.9Å; I1053-R1056 PolarHBondContact O-N 3.19Å; R1056-N1060 WeakPolarHBondContact O-CB 3.41Å; R1056-N1060 PolarHBondContact O-N 2.78Å |
| 1057 | Y | 57.9 | Low | 56.9 | Low | 161 Ų | 161 | 134.5 Ų | 134.5 | 63% | 0.631 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -66.8 | -48.1 | 177 | -165.7 | -97.2 | 0 | 0 | 0 | 111.9 | I1053 C1054 Y1055 N1060 Q1061 | I1053-Y1057 WeakPolarHBondContact O-CB 3.33Å; I1053-Y1057 PolarHBondContact O-N 2.03Å; C1054-Y1057 PolarHBondContact O-N 3.32Å; Y1055-Y1057 VanDerWaalsContact C-N 3.29Å; Y1055-Y1057 PolarHBondContact O-N 2.76Å; Y1057-N1060 PolarHBondContact O-N 2.85Å; Y1057-Q1061 PolarHBondContact O-N 3.45Å |
| 1058 | R | 53.2 | Low | 55 | Low | 209 Ų | 209 | 135.8 Ų | 135.8 | 79% | 0.789 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -64.9 | -43.3 | 173.1 | -90.1 | -175.2 | 163.8 | 174.9 | -4.6 | 112.6 | C1054 Y1055 N1060 Q1061 | C1054-R1058 PolarHBondContact O-N 3.23Å; Y1055-R1058 PolarHBondContact O-N 2.81Å; R1058-N1060 PolarHBondContact O-N 3.29Å; R1058-Q1061 PolarHBondContact O-N 2.94Å; R1058-Q1061 VanDerWaalsContact O-N 3.09Å |
| 1059 | S | 50.6 | Low | 53.2 | Low | 65 Ų | 65 | 140.9 Ų | 140.9 | 46% | 0.455 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -62.5 | -27.4 | 179.1 | -172.6 | 0 | 0 | 0 | 0 | 113.1 | Y1055 | Y1055-S1059 WeakPolarHBondContact O-CB 3.3Å; Y1055-S1059 PolarHBondContact O-N 3.22Å |
| 1060 | N | 49.7 | Very low | 51.3 | Low | 109 Ų | 109 | 142.8 Ų | 142.8 | 58% | 0.583 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -83.5 | -16.1 | 175.5 | -81.3 | 9.3 | 0 | 0 | 0 | 113.8 | R1056 Y1057 R1058 Q1062 Y1063 | R1056-N1060 WeakPolarHBondContact O-CB 3.41Å; R1056-N1060 PolarHBondContact O-N 2.78Å; Y1057-N1060 PolarHBondContact O-N 2.85Å; R1058-N1060 PolarHBondContact O-N 3.29Å; N1060-Q1062 PolarHBondContact O-N 3.42Å; N1060-Y1063 PolarHBondContact O-N 2.92Å |
| 1061 | Q | 43.9 | Very low | 49.3 | Very low | 115 Ų | 115 | 144.2 Ų | 144.2 | 54% | 0.537 | 68% | 0.676 | S | S | . | * | H | α-helix | trans | -73.3 | -22.7 | -177.2 | -73.9 | -144.8 | -19.9 | 0 | 0 | 114.2 | Y1057 R1058 Y1063 I1064 | Y1057-Q1061 PolarHBondContact O-N 3.45Å; R1058-Q1061 PolarHBondContact O-N 2.94Å; R1058-Q1061 VanDerWaalsContact O-N 3.09Å; Q1061-Y1063 PolarHBondContact O-N 2.77Å; Q1061-I1064 PolarHBondContact O-N 3.05Å |
| 1062 | Q | 41.3 | Very low | 47.3 | Very low | 184 Ų | 184 | 148 Ų | 148 | 86% | 0.86 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | -9.5 | 176.4 | -77.5 | -174.2 | -28.9 | 0 | 0 | 114.1 | N1060 | N1060-Q1062 PolarHBondContact O-N 3.42Š|
| 1063 | Y | 38.9 | Very low | 45.5 | Very low | 213 Ų | 213 | 149.6 Ų | 149.6 | 84% | 0.835 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | -2.3 | 173.7 | -88.7 | -90 | 0 | 0 | 0 | 114.6 | N1060 Q1061 | N1060-Y1063 PolarHBondContact O-N 2.92Å; Q1061-Y1063 PolarHBondContact O-N 2.77Å |
| 1064 | I | 35.8 | Very low | 43.3 | Very low | 133 Ų | 133 | 153 Ų | 153 | 68% | 0.682 | 72% | 0.723 | S | S | * | * | trans | -107.7 | 50.5 | -171.5 | -41.1 | -177.6 | 0 | 0 | 0 | 111.9 | Q1061 | Q1061-I1064 PolarHBondContact O-N 3.05Š| ||
| 1065 | K | 31.7 | Very low | 41.4 | Very low | 203 Ų | 203 | 155.8 Ų | 155.8 | 88% | 0.883 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -144.6 | 45.9 | 174 | -82 | -159.7 | 174.1 | -176.6 | 0 | 115 | ||
| 1066 | K | 32.6 | Very low | 40 | Very low | 194 Ų | 194 | 159.1 Ų | 159.1 | 84% | 0.843 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -154.7 | 21.6 | 161.4 | -137.1 | -178.5 | -179.5 | 179.5 | 0 | 118 | ||
| 1067 | Y | 35.7 | Very low | 38.7 | Very low | 235 Ų | 235 | 155.3 Ų | 155.3 | 92% | 0.922 | 75% | 0.747 | S | S | * | * | trans | -137.1 | 127 | 171.9 | -72.9 | -79.1 | 0 | 0 | 0 | 110.5 | ||||
| 1068 | E | 36.8 | Very low | 37.5 | Very low | 163 Ų | 163 | 154.8 Ų | 154.8 | 76% | 0.762 | 76% | 0.755 | S | S | * | * | trans | -150.2 | 139.5 | 178.3 | -158.4 | 166.7 | -156.2 | 0 | 0 | 109.2 | ||||
| 1069 | H | 37.4 | Very low | 36.6 | Very low | 167 Ų | 167 | 154.2 Ų | 154.2 | 77% | 0.773 | 76% | 0.758 | S | S | * | * | trans | 67 | 136.1 | -173.1 | -38 | -64 | 0 | 0 | 0 | 115.1 | ||||
| 1070 | S | 36.3 | Very low | 35.5 | Very low | 115 Ų | 115 | 156.6 Ų | 156.6 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | cis | -139.4 | 147 | 6.1 | -55 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1071 | P | 35.3 | Very low | 34.7 | Very low | 122 Ų | 122 | 156.6 Ų | 156.6 | 79% | 0.792 | 78% | 0.779 | S | S | * | * | trans | -106.8 | 161.8 | -176.4 | 39.8 | -34.5 | 0 | 0 | 0 | 114.7 | ||||
| 1072 | L | 34.7 | Very low | 34 | Very low | 156 Ų | 156 | 159 Ų | 159 | 82% | 0.817 | 80% | 0.795 | S | S | * | * | trans | -169.5 | 142.7 | 151.3 | -108 | 165.4 | 0 | 0 | 0 | 111.1 | ||||
| 1073 | L | 34.6 | Very low | 33.6 | Very low | 132 Ų | 132 | 155.3 Ų | 155.3 | 69% | 0.691 | 79% | 0.79 | S | S | * | * | trans | 48.4 | 109.5 | 163.6 | -65.6 | 154.8 | 0 | 0 | 0 | 117.4 | L1075 | L1073-L1075 HydrophobicContact CD2-CB 4.41Å; L1073-L1075 HydrophobicContact CD2-CD1 4.05Å | ||
| 1074 | L | 27 | Very low | 33.2 | Very low | 167 Ų | 167 | 154.5 Ų | 154.5 | 87% | 0.874 | 79% | 0.791 | S | S | * | * | cis | 66.9 | 42.7 | 12.3 | -128.2 | -179.6 | 0 | 0 | 0 | 116.3 | ||||
| 1075 | L | 30.9 | Very low | 32.7 | Very low | 136 Ų | 136 | 154.8 Ų | 154.8 | 71% | 0.712 | 79% | 0.792 | S | S | * | * | trans | -166.2 | 148.9 | 159 | -106.1 | 148.4 | 0 | 0 | 0 | 109.4 | L1073 | L1073-L1075 HydrophobicContact CD2-CB 4.41Å; L1073-L1075 HydrophobicContact CD2-CD1 4.05Å | ||
| 1076 | K | 36.4 | Very low | 32.6 | Very low | 199 Ų | 199 | 149.7 Ų | 149.7 | 87% | 0.865 | 78% | 0.782 | S | S | * | * | trans | 63.7 | 78.8 | -165.7 | -56 | -177.7 | -178.2 | -179.7 | 0 | 112.7 | ||||
| 1077 | S | 32.4 | Very low | 32.8 | Very low | 83 Ų | 83 | 149.8 Ų | 149.8 | 58% | 0.58 | 78% | 0.783 | S | S | * | * | cis | 60.4 | 105.9 | 22 | 84.5 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1078 | L | 33.2 | Very low | 32.5 | Very low | 150 Ų | 150 | 148.6 Ų | 148.6 | 79% | 0.785 | 78% | 0.777 | S | S | * | * | trans | 74.2 | 156.4 | 156.8 | -50.2 | 161.6 | 0 | 0 | 0 | 116.2 | ||||
| 1079 | F | 32.7 | Very low | 32 | Very low | 197 Ų | 197 | 149 Ų | 149 | 86% | 0.864 | 78% | 0.776 | S | S | * | * | trans | 67 | 141.7 | -177.7 | -48.8 | -77.2 | 0 | 0 | 0 | 116.4 | ||||
| 1080 | C | 28.7 | Very low | 31.8 | Very low | 115 Ų | 115 | 147.5 Ų | 147.5 | 78% | 0.777 | 78% | 0.779 | S | S | * | * | cis | -163.2 | 141.2 | -28.8 | -148.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1081 | P | 32.8 | Very low | 31.5 | Very low | 109 Ų | 109 | 146.1 Ų | 146.1 | 71% | 0.708 | 77% | 0.769 | S | S | * | * | trans | -93.9 | 147.4 | 170.2 | 35.6 | -32.1 | 0 | 0 | 0 | 112.4 | ||||
| 1082 | L | 28.9 | Very low | 31.4 | Very low | 166 Ų | 166 | 146.8 Ų | 146.8 | 87% | 0.869 | 77% | 0.766 | S | S | * | * | trans | 163.3 | 159.8 | 145.4 | -94 | 162.8 | 0 | 0 | 0 | 113.6 | ||||
| 1083 | S | 34 | Very low | 31.1 | Very low | 106 Ų | 106 | 146.4 Ų | 146.4 | 74% | 0.741 | 76% | 0.763 | S | S | * | * | trans | 74.9 | 148.7 | 156.7 | 85.9 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1084 | F | 28.6 | Very low | 30.9 | Very low | 196 Ų | 196 | 145.2 Ų | 145.2 | 86% | 0.86 | 77% | 0.766 | S | S | * | * | cis | -153.3 | 176.5 | -13.4 | -143.8 | -107.4 | 0 | 0 | 0 | 112.7 | ||||
| 1085 | I | 26.6 | Very low | 30.9 | Very low | 139 Ų | 139 | 143.7 Ų | 143.7 | 71% | 0.713 | 76% | 0.758 | S | S | * | * | trans | -89.7 | 146.5 | -174.1 | -63.7 | 153.5 | 0 | 0 | 0 | 112.8 | ||||
| 1086 | S | 30.2 | Very low | 30.7 | Very low | 97 Ų | 97 | 146.4 Ų | 146.4 | 68% | 0.678 | 76% | 0.76 | S | S | * | * | 161.1 | 164 | 129.5 | 57.4 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 1087 | K | 35.8 | Very low | 30.3 | Very low | 196 Ų | 196 | 145.3 Ų | 145.3 | 85% | 0.852 | 76% | 0.756 | S | S | * | * | trans | 70.6 | 110.7 | 169.4 | -54.1 | 176.7 | -174.9 | 178.5 | 0 | 116.4 | ||||
| 1088 | R | 28.7 | Very low | 30 | Very low | 210 Ų | 210 | 151.7 Ų | 151.7 | 79% | 0.792 | 77% | 0.769 | S | S | * | * | cis | 91 | 119.9 | 6.7 | -163.7 | 177.6 | 178.5 | 158.5 | 2.2 | 118.9 | ||||
| 1089 | F | 26.7 | Very low | 29.9 | Very low | 170 Ų | 170 | 154.1 Ų | 154.1 | 75% | 0.746 | 77% | 0.773 | S | S | * | * | trans | 70.4 | 150.9 | 165.3 | -78.4 | -152.7 | 0 | 0 | 0 | 115.6 | ||||
| 1090 | V | 32.5 | Very low | 29.5 | Very low | 137 Ų | 137 | 153.8 Ų | 153.8 | 83% | 0.83 | 77% | 0.771 | S | S | * | * | cis | -137.3 | 174.2 | 39.6 | 168.1 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1091 | S | 30.8 | Very low | 29.5 | Very low | 85 Ų | 85 | 151.8 Ų | 151.8 | 59% | 0.594 | 77% | 0.77 | S | S | * | * | trans | -101.6 | 175 | -175.8 | 55.4 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1092 | D | 33.7 | Very low | 29.2 | Very low | 136 Ų | 136 | 153.9 Ų | 153.9 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | trans | 156 | 121.1 | 130.8 | -74.4 | -2.7 | 0 | 0 | 0 | 109.4 | ||||
| 1093 | I | 28.4 | Very low | 29.6 | Very low | 149 Ų | 149 | 151 Ų | 151 | 76% | 0.764 | 77% | 0.767 | S | S | * | * | 73 | 98.8 | 58.2 | -57.9 | 172.9 | 0 | 0 | 0 | 114.2 | |||||
| 1094 | S | 30.5 | Very low | 29.1 | Very low | 107 Ų | 107 | 153.2 Ų | 153.2 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | -178.9 | 112.4 | 127.2 | 64 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 1095 | N | 27.1 | Very low | 28.9 | Very low | 134 Ų | 134 | 150.9 Ų | 150.9 | 72% | 0.717 | 76% | 0.763 | S | S | * | * | trans | 37.1 | 158.4 | 131.7 | -69.6 | -34.9 | 0 | 0 | 0 | 125.8 | ||||
| 1096 | Y | 26.7 | Very low | 28.8 | Very low | 193 Ų | 193 | 150.7 Ų | 150.7 | 76% | 0.757 | 76% | 0.764 | S | S | * | * | trans | 92 | 137.9 | 155 | -63.6 | -49.3 | 0 | 0 | 0 | 119.1 | ||||
| 1097 | K | 28.1 | Very low | 28.4 | Very low | 177 Ų | 177 | 153.9 Ų | 153.9 | 77% | 0.77 | 77% | 0.772 | S | S | * | * | cis | -160.4 | 157.2 | -12 | -148.9 | 162.2 | -165.9 | 164.5 | 0 | 112.4 | ||||
| 1098 | Y | 26.2 | Very low | 27.9 | Very low | 216 Ų | 216 | 149.7 Ų | 149.7 | 85% | 0.847 | 77% | 0.768 | S | S | * | * | trans | -77.4 | 141.8 | 173 | -111.2 | -97.9 | 0 | 0 | 0 | 114.3 | ||||
| 1099 | K | 29.3 | Very low | 28 | Very low | 202 Ų | 202 | 145.3 Ų | 145.3 | 88% | 0.878 | 77% | 0.766 | S | S | * | * | trans | -146.9 | 127.4 | 144.3 | -79 | -174.3 | 176.3 | -179.1 | 0 | 105.2 | ||||
| 1100 | K | 24.6 | Very low | 27.9 | Very low | 190 Ų | 190 | 143.8 Ų | 143.8 | 83% | 0.826 | 77% | 0.771 | S | S | * | * | cis | 72.8 | 91.8 | 21.5 | -148.1 | 177.6 | -171.3 | -179.8 | 0 | 114.7 | ||||
| 1101 | G | 29.1 | Very low | 27.5 | Very low | 73 Ų | 73 | 143.3 Ų | 143.3 | 75% | 0.753 | 76% | 0.764 | S | S | * | * | trans | -145.2 | 144.6 | 161.1 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 1102 | N | 25.8 | Very low | 27.4 | Very low | 153 Ų | 153 | 151 Ų | 151 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | -120.5 | 173.5 | -168.3 | -117.1 | 29.3 | 0 | 0 | 0 | 111.6 | ||||
| 1103 | P | 38.1 | Very low | 27 | Very low | 106 Ų | 106 | 151.5 Ų | 151.5 | 69% | 0.688 | 78% | 0.78 | S | S | * | * | trans | -96.4 | -126.6 | -156.5 | 40.7 | -39.8 | 0 | 0 | 0 | 114.3 | ||||
| 1104 | I | 23.6 | Very low | 26.9 | Very low | 151 Ų | 151 | 153.5 Ų | 153.5 | 77% | 0.774 | 78% | 0.779 | S | S | * | * | trans | 92.2 | 146.9 | 176.7 | -38.4 | 150.3 | 0 | 0 | 0 | 114.3 | ||||
| 1105 | I | 24.4 | Very low | 26.8 | Very low | 148 Ų | 148 | 157.2 Ų | 157.2 | 76% | 0.759 | 78% | 0.781 | S | S | * | * | trans | 74.4 | 138.4 | 170.9 | -45.9 | -173.9 | 0 | 0 | 0 | 115.1 | ||||
| 1106 | N | 23.7 | Very low | 27 | Very low | 135 Ų | 135 | 157.8 Ų | 157.8 | 72% | 0.722 | 78% | 0.784 | S | S | * | * | cis | -168.7 | 174.7 | -38.1 | -101.7 | -15.4 | 0 | 0 | 0 | 107.8 | ||||
| 1107 | L | 22.7 | Very low | 27.2 | Very low | 163 Ų | 163 | 159.9 Ų | 159.9 | 85% | 0.853 | 79% | 0.791 | S | S | * | * | trans | -24.2 | 140.8 | 150.7 | -56.4 | 144.2 | 0 | 0 | 0 | 113.1 | ||||
| 1108 | S | 24.9 | Very low | 27.3 | Very low | 108 Ų | 108 | 156.9 Ų | 156.9 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | -169.6 | 172.7 | 60.8 | 59.6 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 1109 | P | 30.9 | Very low | 27.6 | Very low | 118 Ų | 118 | 152.2 Ų | 152.2 | 77% | 0.766 | 77% | 0.773 | S | S | * | * | trans | -96.3 | 159.3 | -172.2 | 37.4 | -34.8 | 0 | 0 | 0 | 114.5 | ||||
| 1110 | T | 24.8 | Very low | 27.8 | Very low | 139 Ų | 139 | 151.3 Ų | 151.3 | 85% | 0.853 | 77% | 0.772 | S | S | * | * | trans | -158.8 | 152.2 | 154.6 | -4.4 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1111 | N | 24.9 | Very low | 28 | Very low | 127 Ų | 127 | 147.7 Ų | 147.7 | 68% | 0.679 | 77% | 0.771 | S | S | * | * | trans | -57.6 | 149.3 | -177.6 | -58 | -34.4 | 0 | 0 | 0 | 115.1 | ||||
| 1112 | Y | 27.1 | Very low | 28.1 | Very low | 246 Ų | 246 | 147.6 Ų | 147.6 | 97% | 0.965 | 77% | 0.77 | S | S | * | * | trans | -97.7 | 154.6 | 135.4 | -101.6 | -93.6 | 0 | 0 | 0 | 109.9 | ||||
| 1113 | H | 26.4 | Very low | 28.4 | Very low | 147 Ų | 147 | 146.4 Ų | 146.4 | 68% | 0.681 | 77% | 0.768 | S | S | * | * | trans | -127.8 | 165 | -150.8 | -136.2 | -67.2 | 0 | 0 | 0 | 112.5 | ||||
| 1114 | Y | 25.3 | Very low | 27.9 | Very low | 190 Ų | 190 | 149.1 Ų | 149.1 | 75% | 0.745 | 77% | 0.772 | S | S | * | * | trans | 75.1 | 146.2 | 172.2 | -84.3 | -116.1 | 0 | 0 | 0 | 115.7 | ||||
| 1115 | K | 29.8 | Very low | 28.2 | Very low | 185 Ų | 185 | 149.6 Ų | 149.6 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | cis | -143.9 | 139.7 | 18.4 | -162 | 154.3 | -170.8 | 177.7 | 0 | 112.8 | ||||
| 1116 | N | 30 | Very low | 28.4 | Very low | 146 Ų | 146 | 148.2 Ų | 148.2 | 78% | 0.781 | 77% | 0.768 | S | S | * | * | trans | -77 | 152.7 | 179.4 | -68.9 | 1.1 | 0 | 0 | 0 | 113.8 | ||||
| 1117 | R | 31 | Very low | 28.4 | Very low | 237 Ų | 237 | 148.4 Ų | 148.4 | 89% | 0.894 | 77% | 0.769 | S | S | * | * | 176.5 | 141.5 | 124.1 | -97.2 | 177.7 | 179.5 | -160.2 | -0.7 | 110.3 | |||||
| 1118 | N | 30.4 | Very low | 28.5 | Very low | 115 Ų | 115 | 148.6 Ų | 148.6 | 62% | 0.615 | 77% | 0.767 | S | S | * | * | cis | -164 | -178.7 | -15.3 | -134.7 | 53.6 | 0 | 0 | 0 | 111.1 | ||||
| 1119 | D | 33.3 | Very low | 28.6 | Very low | 118 Ų | 118 | 150.4 Ų | 150.4 | 63% | 0.631 | 76% | 0.764 | S | S | * | * | trans | 80.1 | 94.7 | 155.3 | -50.3 | -27.3 | 0 | 0 | 0 | 121.1 | ||||
| 1120 | E | 33.2 | Very low | 28.4 | Very low | 182 Ų | 182 | 154.4 Ų | 154.4 | 85% | 0.85 | 77% | 0.765 | S | S | * | * | 61.8 | 153.5 | 120.6 | -65.9 | 177.8 | -178.2 | 0 | 0 | 123 | |||||
| 1121 | S | 29.2 | Very low | 28.9 | Very low | 114 Ų | 114 | 153.6 Ų | 153.6 | 80% | 0.797 | 76% | 0.762 | S | S | * | * | cis | -170.2 | 162.6 | -30.1 | 61.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1122 | G | 31 | Very low | 29 | Very low | 71 Ų | 71 | 151.3 Ų | 151.3 | 73% | 0.732 | 77% | 0.769 | S | S | * | * | trans | 150.2 | 90.2 | 167.4 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1123 | T | 31.7 | Very low | 29.1 | Very low | 129 Ų | 129 | 145.7 Ų | 145.7 | 79% | 0.791 | 76% | 0.76 | S | S | * | * | trans | 6.5 | 126.3 | 151.1 | 52.9 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1124 | E | 28.2 | Very low | 29.2 | Very low | 162 Ų | 162 | 147.4 Ų | 147.4 | 76% | 0.757 | 77% | 0.768 | S | S | * | * | 69.5 | 131.1 | 62.9 | -73.4 | -156.3 | 134.6 | 0 | 0 | 117.3 | |||||
| 1125 | I | 30.2 | Very low | 29.2 | Very low | 161 Ų | 161 | 145.5 Ų | 145.5 | 83% | 0.826 | 77% | 0.771 | S | S | * | * | -175.9 | 104.1 | 127.5 | -89.7 | 152.2 | 0 | 0 | 0 | 110.7 | |||||
| 1126 | N | 27.4 | Very low | 29 | Very low | 119 Ų | 119 | 141.4 Ų | 141.4 | 64% | 0.636 | 77% | 0.765 | S | S | * | * | 22.8 | 142.7 | 124.3 | -78.5 | -43.3 | 0 | 0 | 0 | 120.3 | |||||
| 1127 | L | 25.1 | Very low | 28.7 | Very low | 139 Ų | 139 | 141.6 Ų | 141.6 | 73% | 0.728 | 77% | 0.766 | S | S | * | * | cis | 176.3 | 162.5 | 46.3 | -124 | 160.5 | 0 | 0 | 0 | 113.6 | ||||
| 1128 | M | 24.5 | Very low | 28.3 | Very low | 167 Ų | 167 | 137.7 Ų | 137.7 | 82% | 0.823 | 76% | 0.762 | S | S | * | * | trans | 87.7 | 144.2 | 154 | -63.8 | -154.1 | -173.8 | 0 | 0 | 125 | ||||
| 1129 | Q | 25.6 | Very low | 28 | Very low | 146 Ų | 146 | 143.5 Ų | 143.5 | 68% | 0.682 | 78% | 0.775 | S | S | * | * | trans | -89.6 | -172.5 | 174.5 | -57 | 139.8 | -69 | 0 | 0 | 110.3 | ||||
| 1130 | Y | 27.4 | Very low | 27.7 | Very low | 202 Ų | 202 | 149.6 Ų | 149.6 | 79% | 0.792 | 79% | 0.789 | S | S | * | * | cis | -159.5 | -162.8 | 28.1 | -121.6 | -37.7 | 0 | 0 | 0 | 110.6 | ||||
| 1131 | P | 35.2 | Very low | 27.2 | Very low | 123 Ų | 123 | 146 Ų | 146 | 80% | 0.799 | 78% | 0.784 | S | S | * | * | trans | -114.3 | 172.8 | -146.2 | 43.1 | -29.1 | 0 | 0 | 0 | 117.2 | ||||
| 1132 | G | 27.9 | Very low | 26.9 | Very low | 79 Ų | 79 | 145 Ų | 145 | 81% | 0.814 | 78% | 0.778 | S | S | * | * | trans | -168.6 | 155.9 | 171 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 1133 | T | 28.7 | Very low | 26.7 | Very low | 127 Ų | 127 | 148.4 Ų | 148.4 | 78% | 0.779 | 78% | 0.784 | S | S | * | * | trans | -98.8 | 152.1 | -163.8 | 42.3 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1134 | E | 27.8 | Very low | 26.3 | Very low | 184 Ų | 184 | 148.6 Ų | 148.6 | 86% | 0.86 | 79% | 0.785 | S | S | * | * | trans | 73.4 | 151.6 | 143.2 | -75.9 | 170.1 | 179.7 | 0 | 0 | 123.2 | ||||
| 1135 | D | 26.6 | Very low | 26.1 | Very low | 150 Ų | 150 | 143 Ų | 143 | 80% | 0.802 | 77% | 0.77 | S | S | * | * | trans | 63.8 | 111.4 | 163.6 | -92.2 | -17.6 | 0 | 0 | 0 | 124.2 | ||||
| 1136 | S | 24.3 | Very low | 25.8 | Very low | 98 Ų | 98 | 140.1 Ų | 140.1 | 69% | 0.685 | 76% | 0.764 | S | S | * | * | trans | 82.4 | 155 | 136.1 | 82.9 | 0 | 0 | 0 | 0 | 121 | ||||
| 1137 | L | 24.3 | Very low | 25.9 | Very low | 150 Ų | 150 | 141.6 Ų | 141.6 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | trans | 68.1 | 114.6 | 166.3 | -56.8 | 175.5 | 0 | 0 | 0 | 119.3 | ||||
| 1138 | L | 23.2 | Very low | 25.9 | Very low | 156 Ų | 156 | 145.1 Ų | 145.1 | 82% | 0.817 | 77% | 0.771 | S | S | * | * | 27.8 | 98.7 | 128.8 | -70.2 | 160.5 | 0 | 0 | 0 | 118 | |||||
| 1139 | R | 23.3 | Very low | 26 | Very low | 236 Ų | 236 | 140.9 Ų | 140.9 | 89% | 0.891 | 75% | 0.746 | S | S | * | * | -176 | 121.5 | 127.1 | -99.6 | 150.1 | -165.8 | -147.7 | 4.7 | 116.2 | S1141 | R1139-S1141 PolarHBondContact O-N 3.04Š| |||
| 1140 | R | 26.4 | Very low | 26 | Very low | 247 Ų | 247 | 139 Ų | 139 | 93% | 0.932 | 75% | 0.747 | S | S | * | * | trans | -3.3 | 110.3 | 133 | -168.3 | -171.7 | -142.5 | 178.2 | 7.9 | 116 | ||||
| 1141 | S | 23.6 | Very low | 25.9 | Very low | 105 Ų | 105 | 137.4 Ų | 137.4 | 73% | 0.734 | 75% | 0.752 | S | S | * | * | trans | -131.8 | 87.5 | 167.4 | -77.8 | 0 | 0 | 0 | 0 | 112.8 | R1139 V1143 | R1139-S1141 PolarHBondContact O-N 3.04Å; S1141-V1143 PolarHBondContact O-N 2.82Å | ||
| 1142 | S | 22.8 | Very low | 25.5 | Very low | 95 Ų | 95 | 139 Ų | 139 | 66% | 0.664 | 75% | 0.749 | S | S | * | * | trans | 17.5 | 95.8 | 138.4 | 55.3 | 0 | 0 | 0 | 0 | 119.2 | T1144 | S1142-T1144 PolarHBondContact O-N 2.79Š| ||
| 1143 | V | 25.7 | Very low | 25.4 | Very low | 142 Ų | 142 | 142.2 Ų | 142.2 | 86% | 0.861 | 75% | 0.746 | S | S | * | * | trans | -85.2 | 91.3 | 143.7 | 179.2 | 0 | 0 | 0 | 0 | 107.5 | S1141 G1145 | S1141-V1143 PolarHBondContact O-N 2.82Å; V1143-G1145 PolarHBondContact O-N 3.26Å | ||
| 1144 | T | 23.9 | Very low | 25.2 | Very low | 133 Ų | 133 | 142.6 Ų | 142.6 | 82% | 0.816 | 75% | 0.747 | S | S | * | * | trans | -75.1 | 55.2 | 168 | 44.9 | 0 | 0 | 0 | 0 | 110.5 | S1142 S1146 | S1142-T1144 PolarHBondContact O-N 2.79Å; T1144-S1146 PolarHBondContact O-N 3.31Å | ||
| 1145 | G | 25.2 | Very low | 25 | Very low | 43 Ų | 43 | 141.5 Ų | 141.5 | 44% | 0.443 | 75% | 0.748 | S | S | . | * | trans | -71.6 | 107.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | V1143 H1147 | V1143-G1145 PolarHBondContact O-N 3.26Å; G1145-H1147 PolarHBondContact O-N 2.78Å | ||
| 1146 | S | 24 | Very low | 25 | Very low | 101 Ų | 101 | 137.7 Ų | 137.7 | 71% | 0.706 | 74% | 0.744 | S | S | * | * | trans | -71.9 | 95.1 | 176.9 | -169.6 | 0 | 0 | 0 | 0 | 109.6 | T1144 R1148 | T1144-S1146 PolarHBondContact O-N 3.31Å; S1146-R1148 PolarHBondContact O-N 2.69Å | ||
| 1147 | H | 28.8 | Very low | 25.1 | Very low | 150 Ų | 150 | 140.1 Ų | 140.1 | 69% | 0.694 | 74% | 0.744 | S | S | * | * | trans | -71.1 | 62.2 | 170.1 | -80.9 | -88.9 | 0 | 0 | 0 | 111 | G1145 Y1149 | G1145-H1147 PolarHBondContact O-N 2.78Å; H1147-Y1149 VanDerWaalsContact C-N 3.29Å; H1147-Y1149 WeakPolarHBondContact O-CD2 3.35Å; H1147-Y1149 PolarHBondContact O-N 2.64Å | ||
| 1148 | R | 25.1 | Very low | 25.2 | Very low | 213 Ų | 213 | 142.7 Ų | 142.7 | 80% | 0.804 | 75% | 0.749 | S | S | * | * | trans | -65 | 94.1 | 156.6 | -78.7 | -176.2 | 173.9 | -178.7 | -0.9 | 107.5 | S1146 P1150 | S1146-R1148 PolarHBondContact O-N 2.69Å; R1148-P1150 WeakPolarHBondContact O-CD 3.33Å | ||
| 1149 | Y | 26.9 | Very low | 25.3 | Very low | 78 Ų | 78 | 138.8 Ų | 138.8 | 31% | 0.306 | 74% | 0.74 | S | S | . | * | trans | -52.8 | 116.8 | 157.8 | -69.6 | -88.7 | 0 | 0 | 0 | 107.7 | H1147 N1151 V1534 | H1147-Y1149 VanDerWaalsContact C-N 3.29Å; H1147-Y1149 WeakPolarHBondContact O-CD2 3.35Å; H1147-Y1149 PolarHBondContact O-N 2.64Å; Y1149-N1151 PolarHBondContact O-N 2.68Å; Y1149-V1534 HydrophobicContact CD2-CG1 4.13Å; Y1149-V1534 HydrophobicContact CD2-CG2 3.74Å; Y1149-V1534 HydrophobicContact CE2-CG1 4.26Å; Y1149-V1534 HydrophobicContact CE2-CG2 3.69Å | ||
| 1150 | P | 24.8 | Very low | 25.6 | Very low | 108 Ų | 108 | 129.9 Ų | 129.9 | 70% | 0.701 | 71% | 0.712 | S | S | * | * | trans | -72.3 | 115.3 | -177.8 | -17.4 | 32.3 | 0 | 0 | 0 | 109.4 | R1148 Q1152 | R1148-P1150 WeakPolarHBondContact O-CD 3.33Å; P1150-Q1152 PolarHBondContact O-N 2.87Å | ||
| 1151 | N | 25.9 | Very low | 25.7 | Very low | 168 Ų | 168 | 125 Ų | 125 | 90% | 0.898 | 71% | 0.705 | S | S | * | * | trans | -72.4 | 65.9 | 169.7 | -76.9 | -11.4 | 0 | 0 | 0 | 110.1 | Y1149 | Y1149-N1151 PolarHBondContact O-N 2.68Š| ||
| 1152 | Q | 26.6 | Very low | 26.2 | Very low | 156 Ų | 156 | 125 Ų | 125 | 73% | 0.729 | 70% | 0.696 | S | S | * | * | trans | -135.4 | 103.4 | 178.7 | -75.1 | -168.4 | -20.3 | 0 | 0 | 112.3 | P1150 | P1150-Q1152 PolarHBondContact O-N 2.87Š| ||
| 1153 | I | 24.6 | Very low | 26.6 | Very low | 146 Ų | 146 | 124.6 Ų | 124.6 | 75% | 0.749 | 71% | 0.707 | S | S | * | * | trans | 60.3 | 99.1 | 133.5 | -55.8 | 165.7 | 0 | 0 | 0 | 116.3 | N1155 | I1153-N1155 PolarHBondContact O-N 3.24Å; I1153-N1155 VanDerWaalsContact O-N 3.12Å | ||
| 1154 | V | 25.4 | Very low | 27.8 | Very low | 135 Ų | 135 | 128.3 Ų | 128.3 | 82% | 0.818 | 71% | 0.705 | S | S | * | * | trans | -8.1 | 100.5 | 137.8 | -176.1 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1155 | N | 24.7 | Very low | 29.7 | Very low | 162 Ų | 162 | 124.1 Ų | 124.1 | 87% | 0.866 | 68% | 0.677 | S | S | * | * | trans | -174.2 | 134.3 | 143.8 | -100.2 | -38.8 | 0 | 0 | 0 | 111.5 | I1153 | I1153-N1155 PolarHBondContact O-N 3.24Å; I1153-N1155 VanDerWaalsContact O-N 3.12Å | ||
| 1156 | G | 25.6 | Very low | 31.8 | Very low | 70 Ų | 70 | 123.9 Ų | 123.9 | 72% | 0.722 | 67% | 0.667 | S | S | * | * | trans | 104.5 | 69 | 170.6 | 0 | 0 | 0 | 0 | 0 | 116 | K1158 | G1156-K1158 VanDerWaalsContact C-N 3.3Å; G1156-K1158 PolarHBondContact O-N 2.83Å | ||
| 1157 | Q | 26.2 | Very low | 34.5 | Very low | 149 Ų | 149 | 123.9 Ų | 123.9 | 70% | 0.696 | 66% | 0.657 | S | S | * | * | trans | -63.3 | 87.2 | 162.6 | -77.1 | -172.9 | -31.6 | 0 | 0 | 110.7 | A1159 E1431 | Q1157-A1159 PolarHBondContact O-N 3.39Å; Q1157-E1431 PolarHBondContact NE2-O 3Å; Q1157-E1431 VanDerWaalsContact NE2-O 3.09Å | ||
| 1158 | K | 26.2 | Very low | 37 | Very low | 203 Ų | 203 | 117 Ų | 117 | 88% | 0.883 | 63% | 0.626 | S | S | * | * | trans | -73.9 | 100.4 | 159.5 | -81.7 | -175.7 | 176 | 175.6 | 0 | 108 | G1156 | G1156-K1158 VanDerWaalsContact C-N 3.3Å; G1156-K1158 PolarHBondContact O-N 2.83Å | ||
| 1159 | A | 25.6 | Very low | 39.5 | Very low | 75 Ų | 75 | 110.8 Ų | 110.8 | 62% | 0.62 | 61% | 0.609 | S | S | * | * | trans | -49.7 | 141.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q1157 N1161 | Q1157-A1159 PolarHBondContact O-N 3.39Å; A1159-N1161 PolarHBondContact O-N 2.89Å; A1159-N1161 VanDerWaalsContact O-N 3.12Å | ||
| 1160 | P | 30.2 | Very low | 42 | Very low | 49 Ų | 49 | 108.8 Ų | 108.8 | 32% | 0.318 | 60% | 0.603 | S | S | . | * | trans | -62.2 | 118.8 | 178.1 | 25.2 | -32.8 | 0 | 0 | 0 | 109.4 | L1162 K1331 | P1160-L1162 PolarHBondContact O-N 2.83Å; P1160-K1331 HydrophobicContact CG-CG 4.42Å | ||
| 1161 | N | 27.7 | Very low | 44.7 | Very low | 144 Ų | 144 | 109.9 Ų | 109.9 | 77% | 0.77 | 60% | 0.603 | S | S | * | * | trans | -64.5 | 93.2 | -179.3 | -80.5 | -22.9 | 0 | 0 | 0 | 110.6 | A1159 G1163 R1164 | A1159-N1161 PolarHBondContact O-N 2.89Å; A1159-N1161 VanDerWaalsContact O-N 3.12Å; N1161-G1163 PolarHBondContact O-N 2.03Å; N1161-R1164 PolarHBondContact O-N 3.36Å | ||
| 1162 | L | 33.4 | Very low | 47.3 | Very low | 106 Ų | 106 | 104.1 Ų | 104.1 | 56% | 0.555 | 57% | 0.572 | S | S | * | * | G | 310 helix | trans | -58.2 | -18.8 | 177.6 | -70.8 | 164.8 | 0 | 0 | 0 | 112.9 | P1160 R1164 L1165 | P1160-L1162 PolarHBondContact O-N 2.83Å; L1162-R1164 PolarHBondContact O-N 2.92Å; L1162-L1165 HydrophobicContact CB-CD1 4.5Å; L1162-L1165 HydrophobicContact CD2-CD1 3.64Å; L1162-L1165 HydrophobicContact CD2-CG 4.45Å; L1162-L1165 WeakPolarHBondContact O-CB 3.43Å; L1162-L1165 PolarHBondContact O-N 2.78Å |
| 1163 | G | 32.4 | Very low | 50 | Low | 86 Ų | 86 | 97.3 Ų | 97.3 | 89% | 0.887 | 54% | 0.541 | S | S | * | . | G | 310 helix | trans | -62.9 | 10.9 | 167.1 | 0 | 0 | 0 | 0 | 0 | 116 | N1161 | N1161-G1163 PolarHBondContact O-N 2.03Š|
| 1164 | R | 51.1 | Low | 52.7 | Low | 220 Ų | 220 | 93.5 Ų | 93.5 | 83% | 0.83 | 53% | 0.526 | S | S | * | . | G | 310 helix | trans | -106.1 | -3.7 | 164.6 | -105.2 | -174.3 | 178.5 | -173.9 | -1.1 | 114.4 | N1161 L1162 V1166 | N1161-R1164 PolarHBondContact O-N 3.36Å; L1162-R1164 PolarHBondContact O-N 2.92Å; R1164-V1166 PolarHBondContact O-N 3.17Å |
| 1165 | L | 62.5 | Low | 55.2 | Low | 44 Ų | 44 | 88.9 Ų | 88.9 | 23% | 0.23 | 50% | 0.497 | C | S | . | . | trans | -68.5 | 114.2 | 173.7 | -76 | 171.2 | 0 | 0 | 0 | 110.1 | L1162 M1167 A1330 A1334 L1344 I1347 | L1162-L1165 HydrophobicContact CB-CD1 4.5Å; L1162-L1165 HydrophobicContact CD2-CD1 3.64Å; L1162-L1165 HydrophobicContact CD2-CG 4.45Å; L1162-L1165 WeakPolarHBondContact O-CB 3.43Å; L1162-L1165 PolarHBondContact O-N 2.78Å; L1165-M1167 PolarHBondContact O-N 2.03Å; L1165-A1330 HydrophobicContact CD2-CB 4.49Å; L1165-A1334 HydrophobicContact CD2-CB 3.87Å; L1165-L1344 HydrophobicContact CD2-CD2 3.74Å; L1165-I1347 HydrophobicContact CD1-CD1 4.25Å; L1165-I1347 HydrophobicContact CD2-CD1 4.46Å; L1165-I1347 HydrophobicContact CD2-CG2 4.43Å | ||
| 1166 | V | 70.9 | Confident | 57.3 | Low | 38 Ų | 38 | 84.3 Ų | 84.3 | 23% | 0.23 | 47% | 0.472 | C | S | . | . | trans | -74.7 | 114.3 | 171.3 | 179.3 | 0 | 0 | 0 | 0 | 108.7 | R1164 I1168 W1195 Y1202 L1345 G1346 I1347 | R1164-V1166 PolarHBondContact O-N 3.17Å; V1166-I1168 HydrophobicContact CG1-CG1 3.93Å; V1166-W1195 HydrophobicContact CG1-CH2 3.9Å; V1166-W1195 HydrophobicContact CG1-CZ2 4.07Å; V1166-Y1202 HydrophobicContact CG1-CD1 4.41Å; V1166-Y1202 HydrophobicContact CG1-CE1 3.66Å; V1166-L1345 WeakPolarHBondContact CB-O 3.36Å; V1166-L1345 WeakPolarHBondContact CG2-O 3.24Å; V1166-G1346 CarbonylContact O-C 3.55Å; V1166-G1346 WeakPolarHBondContact O-CA 3.41Å; V1166-I1347 PolarHBondContact O-N 2.94Å | ||
| 1167 | M | 79.6 | Confident | 59.2 | Low | 101 Ų | 101 | 85.8 Ų | 85.8 | 50% | 0.498 | 46% | 0.46 | S | S | . | . | B | Isolated β-bridge | trans | -75.7 | 124.3 | 166.1 | -65.3 | -56.6 | -57.1 | 0 | 0 | 109 | L1165 Y1202 I1347 L1349 | L1165-M1167 PolarHBondContact O-N 2.03Å; M1167-Y1202 PolarHBondContact O-OH 3.3Å; M1167-I1347 HydrophobicContact CE-CG1 4.33Å; M1167-I1347 HydrophobicContact SD-CD1 3.86Å; M1167-I1347 HydrophobicContact SD-CG1 3.67Å; M1167-L1349 HydrophobicContact CE-CB 4.07Å; M1167-L1349 HydrophobicContact CE-CD1 4.07Å; M1167-L1349 HydrophobicContact CE-CG 4.07Å |
| 1168 | I | 80.9 | Confident | 60.6 | Low | 5 Ų | 5 | 88.6 Ų | 88.6 | 3% | 0.026 | 47% | 0.47 | C | S | . | . | trans | -110.7 | 125.2 | 178.8 | -60.5 | 174.4 | 0 | 0 | 0 | 108.4 | V1166 L1173 W1195 I1347 C1348 V1357 | V1166-I1168 HydrophobicContact CG1-CG1 3.93Å; I1168-L1173 HydrophobicContact CB-CD1 4.43Å; I1168-L1173 HydrophobicContact CG2-CD1 3.61Å; I1168-L1173 HydrophobicContact CG2-CD2 4.09Å; I1168-L1173 HydrophobicContact CG2-CG 3.61Å; I1168-W1195 HydrophobicContact CD1-CD2 3.91Å; I1168-W1195 HydrophobicContact CD1-CE3 4.04Å; I1168-W1195 HydrophobicContact CD1-CH2 4.16Å; I1168-W1195 HydrophobicContact CD1-CZ2 4Å; I1168-W1195 HydrophobicContact CD1-CZ3 4.16Å; I1168-W1195 HydrophobicContact CG1-CD2 4.42Å; I1168-W1195 HydrophobicContact CG1-CH2 4.33Å; I1168-W1195 HydrophobicContact CG1-CZ2 3.82Å; I1168-W1195 HydrophobicContact CG2-CG 4.38Å; I1168-I1347 PolarHBondContact N-O 3.11Å; I1168-C1348 PolarHBondContact O-SG 3.48Å; I1168-V1357 HydrophobicContact CD1-CB 3.79Å; I1168-V1357 HydrophobicContact CD1-CG1 4Å; I1168-V1357 HydrophobicContact CD1-CG2 3.8Å | ||
| 1169 | N | 78.8 | Confident | 62.1 | Low | 84 Ų | 84 | 80.8 Ų | 80.8 | 45% | 0.449 | 44% | 0.441 | S | S | . | . | trans | -69.4 | 146 | 174.3 | -172.5 | 20.3 | 0 | 0 | 0 | 110.4 | D1171 D1172 | N1169-D1171 VanDerWaalsContact C-N 3.26Å; N1169-D1171 PolarHBondContact ND2-OD2 3.09Å; N1169-D1171 PolarHBondContact O-N 2.73Å; N1169-D1172 PolarHBondContact O-N 2.85Å | ||
| 1170 | L | 79.6 | Confident | 63.7 | Low | 36 Ų | 36 | 78.3 Ų | 78.3 | 19% | 0.188 | 42% | 0.423 | C | S | . | . | G | 310 helix | trans | -65.8 | -32.4 | 179.1 | -175 | 59 | 0 | 0 | 0 | 111.7 | D1172 L1173 R1353 | L1170-D1172 PolarHBondContact O-N 3.15Å; L1170-L1173 PolarHBondContact O-N 3.36Å; L1170-R1353 HydrophobicContact CD1-CB 4.3Å; L1170-R1353 HydrophobicContact CD2-CB 4.37Å; L1170-R1353 HydrophobicContact CD2-CG 4.43Å |
| 1171 | D | 80.4 | Confident | 65.7 | Low | 131 Ų | 131 | 78 Ų | 78 | 70% | 0.701 | 42% | 0.42 | S | S | * | . | G | 310 helix | trans | -67.2 | -19 | 177.9 | -49 | -47.3 | 0 | 0 | 0 | 113.2 | N1169 | N1169-D1171 VanDerWaalsContact C-N 3.26Å; N1169-D1171 PolarHBondContact ND2-OD2 3.09Å; N1169-D1171 PolarHBondContact O-N 2.73Å |
| 1172 | D | 81.6 | Confident | 67.8 | Low | 47 Ų | 47 | 73.3 Ų | 73.3 | 25% | 0.251 | 40% | 0.395 | S | S | . | . | G | 310 helix | trans | -89.7 | -0.7 | 174.9 | -66.7 | -51.5 | 0 | 0 | 0 | 112.7 | N1169 L1170 W1195 K1196 | N1169-D1172 PolarHBondContact O-N 2.85Å; L1170-D1172 PolarHBondContact O-N 3.15Å; D1172-W1195 CarbonylContact O-C 3.44Å; D1172-W1195 WeakPolarHBondContact O-CA 3.25Å; D1172-K1196 HydrophobicContact CB-CB 4.16Å; D1172-K1196 PolarHBondContact O-N 3.38Å |
| 1173 | L | 82.4 | Confident | 69.4 | Low | 13 Ų | 13 | 68.4 Ų | 68.4 | 7% | 0.068 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 96.5 | -177.7 | -75.5 | 169.9 | 0 | 0 | 0 | 112.5 | I1168 L1170 W1195 V1309 V1311 C1348 V1357 | I1168-L1173 HydrophobicContact CB-CD1 4.43Å; I1168-L1173 HydrophobicContact CG2-CD1 3.61Å; I1168-L1173 HydrophobicContact CG2-CD2 4.09Å; I1168-L1173 HydrophobicContact CG2-CG 3.61Å; L1170-L1173 PolarHBondContact O-N 3.36Å; L1173-W1195 HydrophobicContact CD2-CB 3.93Å; L1173-W1195 HydrophobicContact CD2-CG 4.27Å; L1173-V1309 HydrophobicContact CD2-CG2 4.27Å; L1173-V1311 HydrophobicContact CD2-CG2 4.37Å; L1173-C1348 HydrophobicContact CD1-CB 3.88Å; L1173-V1357 HydrophobicContact CD1-CG2 4.04Å; L1173-V1357 HydrophobicContact CD2-CG1 4.45Å; L1173-V1357 HydrophobicContact CD2-CG2 4.22Å |
| 1174 | C | 81 | Confident | 71 | Confident | 65 Ų | 65 | 68 Ų | 68 | 44% | 0.439 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 118.3 | 171.9 | -66.6 | 0 | 0 | 0 | 0 | 110.4 | G1193 I1194 | C1174-G1193 CarbonylContact O-C 3.05Å; C1174-G1193 WeakPolarHBondContact O-CA 3.45Å; C1174-I1194 HydrophobicContact CB-CB 4.41Å; C1174-I1194 PolarHBondContact N-O 2.64Å; C1174-I1194 PolarHBondContact O-N 2.63Å |
| 1175 | L | 78 | Confident | 71.3 | Confident | 39 Ų | 39 | 59 Ų | 59 | 20% | 0.204 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 133 | -176.2 | -71 | 165.7 | 0 | 0 | 0 | 112.6 | E1177 V1311 I1313 | L1175-E1177 VanDerWaalsContact C-N 3.32Å; L1175-E1177 HydrophobicContact CB-CG 4.31Å; L1175-E1177 PolarHBondContact O-N 2.81Å; L1175-E1177 VanDerWaalsContact O-N 3.08Å; L1175-V1311 HydrophobicContact CD2-CB 3.7Å; L1175-V1311 HydrophobicContact CD2-CG1 4.02Å; L1175-V1311 HydrophobicContact CD2-CG2 3.74Å; L1175-I1313 HydrophobicContact CD1-CD1 3.85Å |
| 1176 | N | 69.3 | Low | 71 | Confident | 66 Ų | 66 | 58.3 Ų | 58.3 | 35% | 0.353 | 33% | 0.327 | S | S | . | . | trans | -85.3 | 73.1 | 175.2 | -168.4 | 5.2 | 0 | 0 | 0 | 111.1 | K1178 S1179 Q1192 | N1176-K1178 PolarHBondContact O-N 3.05Å; N1176-S1179 PolarHBondContact ND2-OG 3.41Å; N1176-S1179 PolarHBondContact O-N 2.03Å; N1176-S1179 PolarHBondContact O-OG 2.9Å; N1176-S1179 PolarHBondContact OD1-N 3.12Å; N1176-Q1192 PolarHBondContact N-O 2.97Å | ||
| 1177 | E | 64.6 | Low | 70.4 | Confident | 100 Ų | 100 | 58.1 Ų | 58.1 | 47% | 0.467 | 32% | 0.323 | S | S | . | . | G | 310 helix | trans | -66.7 | -23.6 | 177.1 | -61.4 | -174.3 | 169.5 | 0 | 0 | 112.4 | L1175 S1179 G1180 R1353 | L1175-E1177 VanDerWaalsContact C-N 3.32Å; L1175-E1177 HydrophobicContact CB-CG 4.31Å; L1175-E1177 PolarHBondContact O-N 2.81Å; L1175-E1177 VanDerWaalsContact O-N 3.08Å; E1177-S1179 VanDerWaalsContact C-N 3.31Å; E1177-S1179 PolarHBondContact O-N 3.47Å; E1177-G1180 PolarHBondContact O-N 2.91Å; E1177-R1353 IonicContact OE1-CZ 2.85Å; E1177-R1353 IonicContact OE1-NH1 3.65Å; E1177-R1353 PolarHBondContact OE1-NH1 3.4Å; E1177-R1353 IonicContact OE1-NH2 3.86Å; E1177-R1353 PolarHBondContact OE1-NH2 3.18Å |
| 1178 | K | 56.1 | Low | 69.9 | Low | 209 Ų | 209 | 53.4 Ų | 53.4 | 91% | 0.909 | 30% | 0.301 | S | S | * | . | G | 310 helix | trans | -65.9 | -29.4 | -179.3 | -66.2 | 179.8 | -179.2 | 174.5 | 0 | 113.2 | N1176 G1180 | N1176-K1178 PolarHBondContact O-N 3.05Å; K1178-G1180 VanDerWaalsContact C-N 3.26Å |
| 1179 | S | 58.7 | Low | 69.7 | Low | 39 Ų | 39 | 53.6 Ų | 53.6 | 27% | 0.273 | 30% | 0.303 | S | S | . | . | G | 310 helix | trans | -80.2 | -4.9 | 172.3 | 49.2 | 0 | 0 | 0 | 0 | 113.9 | N1176 E1177 | N1176-S1179 PolarHBondContact ND2-OG 3.41Å; N1176-S1179 PolarHBondContact O-N 2.03Å; N1176-S1179 PolarHBondContact O-OG 2.9Å; N1176-S1179 PolarHBondContact OD1-N 3.12Å; E1177-S1179 VanDerWaalsContact C-N 3.31Å; E1177-S1179 PolarHBondContact O-N 3.47Å |
| 1180 | G | 59.1 | Low | 70 | Confident | 22 Ų | 22 | 51.6 Ų | 51.6 | 23% | 0.227 | 29% | 0.294 | C | S | . | . | trans | 68.4 | -174.3 | -169.5 | 0 | 0 | 0 | 0 | 0 | 113 | E1177 K1178 | E1177-G1180 PolarHBondContact O-N 2.91Å; K1178-G1180 VanDerWaalsContact C-N 3.26Å | ||
| 1181 | P | 71.8 | Confident | 70.2 | Confident | 42 Ų | 42 | 52.5 Ų | 52.5 | 27% | 0.273 | 30% | 0.295 | S | S | . | . | trans | -74.8 | 138.8 | 176.8 | 31 | -34.3 | 0 | 0 | 0 | 111.6 | G1183 T1184 A1189 V1190 Y1191 | P1181-G1183 PolarHBondContact O-N 2.85Å; P1181-T1184 HydrophobicContact CB-CG2 4.12Å; P1181-T1184 HydrophobicContact CG-CG2 3.73Å; P1181-A1189 HydrophobicContact CB-CB 4.01Å; P1181-V1190 CarbonylContact C-O 3.21Å; P1181-V1190 WeakPolarHBondContact CA-O 3.41Å; P1181-Y1191 HydrophobicContact CB-CD1 4.31Å; P1181-Y1191 HydrophobicContact CB-CE1 3.98Å | ||
| 1182 | L | 71.2 | Confident | 70.4 | Confident | 46 Ų | 46 | 47.9 Ų | 47.9 | 24% | 0.241 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -60.8 | -31.3 | 167.6 | -61.4 | 169.8 | 0 | 0 | 0 | 111.4 | V1190 Q1192 Y1360 V1830 | L1182-V1190 WeakPolarHBondContact CB-O 3.47Å; L1182-V1190 HydrophobicContact CD1-CG1 4.26Å; L1182-V1190 PolarHBondContact N-O 2.74Å; L1182-Q1192 HydrophobicContact CD1-CB 4.04Å; L1182-Q1192 HydrophobicContact CD2-CB 4.3Å; L1182-Q1192 HydrophobicContact CG-CB 4.32Å; L1182-Y1360 HydrophobicContact CD1-CD2 3.85Å; L1182-Y1360 HydrophobicContact CD1-CE2 3.55Å; L1182-Y1360 HydrophobicContact CD2-CE2 3.89Å; L1182-Y1360 HydrophobicContact CG-CE2 4.38Å; L1182-V1830 WeakPolarHBondContact O-CG1 3.41Å |
| 1183 | G | 67.2 | Low | 70.5 | Confident | 3 Ų | 3 | 45.8 Ų | 45.8 | 3% | 0.031 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -169.1 | 153.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | P1181 A1189 V1190 | P1181-G1183 PolarHBondContact O-N 2.85Å; G1183-A1189 CarbonylContact O-C 3.53Å; G1183-A1189 WeakPolarHBondContact O-CA 3.49Å; G1183-V1190 PolarHBondContact N-O 3.3Å; G1183-V1190 PolarHBondContact O-N 3.05Å |
| 1184 | T | 65.3 | Low | 70.6 | Confident | 78 Ų | 78 | 47.3 Ų | 47.3 | 48% | 0.479 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 114.2 | 179.2 | 55.5 | 0 | 0 | 0 | 0 | 109.8 | P1181 A1189 | P1181-T1184 HydrophobicContact CB-CG2 4.12Å; P1181-T1184 HydrophobicContact CG-CG2 3.73Å; T1184-A1189 HydrophobicContact CG2-CB 4.13Å |
| 1185 | G | 58.2 | Low | 70.7 | Confident | 30 Ų | 30 | 44.3 Ų | 44.3 | 31% | 0.309 | 25% | 0.246 | S | C | . | . | trans | -102.9 | -173.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | F1187 G1188 | G1185-F1187 VanDerWaalsContact C-N 3.29Å; G1185-F1187 PolarHBondContact O-N 2.74Å; G1185-G1188 PolarHBondContact N-O 3.33Å | ||
| 1186 | A | 55.7 | Low | 70.7 | Confident | 30 Ų | 30 | 44.3 Ų | 44.3 | 25% | 0.248 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -61.6 | -36.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | R1447 | A1186-R1447 VanDerWaalsContact O-CZ 3.22Å; A1186-R1447 PolarHBondContact O-NH1 2.9Å; A1186-R1447 PolarHBondContact O-NH2 2.93Å |
| 1187 | F | 59.7 | Low | 70.8 | Confident | 34 Ų | 34 | 41.4 Ų | 41.4 | 15% | 0.149 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -94.7 | -19.2 | -169.6 | -56.1 | -78.5 | 0 | 0 | 0 | 113.5 | G1185 L1314 N1315 G1425 L1426 | G1185-F1187 VanDerWaalsContact C-N 3.29Å; G1185-F1187 PolarHBondContact O-N 2.74Å; F1187-L1314 HydrophobicContact CB-CD2 4.48Å; F1187-L1314 WeakPolarHBondContact O-CA 3.43Å; F1187-L1314 WeakPolarHBondContact O-CD2 3.27Å; F1187-N1315 PolarHBondContact O-N 2.93Å; F1187-N1315 VanDerWaalsContact O-N 3.09Å; F1187-G1425 WeakPolarHBondContact CE2-O 3.27Å; F1187-G1425 WeakPolarHBondContact CZ-O 3.47Å; F1187-L1426 HydrophobicContact CE2-CG 4.07Å; F1187-L1426 HydrophobicContact CZ-CD2 3.96Å; F1187-L1426 HydrophobicContact CZ-CG 3.95Å |
| 1188 | G | 68.7 | Low | 70.8 | Confident | 3 Ų | 3 | 37.1 Ų | 37.1 | 3% | 0.031 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 170.2 | -166 | -168.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | G1185 I1313 | G1185-G1188 PolarHBondContact N-O 3.33Å; G1188-I1313 CarbonylContact C-O 3.48Å; G1188-I1313 WeakPolarHBondContact CA-O 3.47Å |
| 1189 | A | 77 | Confident | 71 | Confident | 8 Ų | 8 | 30.1 Ų | 30.1 | 7% | 0.066 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 135.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | P1181 G1183 T1184 Y1191 I1313 | P1181-A1189 HydrophobicContact CB-CB 4.01Å; G1183-A1189 CarbonylContact O-C 3.53Å; G1183-A1189 WeakPolarHBondContact O-CA 3.49Å; T1184-A1189 HydrophobicContact CG2-CB 4.13Å; A1189-Y1191 HydrophobicContact CB-CD2 4.4Å; A1189-Y1191 HydrophobicContact CB-CE2 3.65Å; A1189-I1313 PolarHBondContact N-O 3.4Å; A1189-I1313 PolarHBondContact O-N 3.26Å |
| 1190 | V | 83.6 | Confident | 70.8 | Confident | 43 Ų | 43 | 32.8 Ų | 32.8 | 26% | 0.261 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 124.3 | 177.5 | -171.6 | 0 | 0 | 0 | 0 | 108.7 | P1181 L1182 G1183 A1310 V1311 K1312 | P1181-V1190 CarbonylContact C-O 3.21Å; P1181-V1190 WeakPolarHBondContact CA-O 3.41Å; L1182-V1190 WeakPolarHBondContact CB-O 3.47Å; L1182-V1190 HydrophobicContact CD1-CG1 4.26Å; L1182-V1190 PolarHBondContact N-O 2.74Å; G1183-V1190 PolarHBondContact N-O 3.3Å; G1183-V1190 PolarHBondContact O-N 3.05Å; V1190-A1310 HydrophobicContact CG1-CB 4.03Å; V1190-V1311 CarbonylContact C-O 3.52Å; V1190-V1311 WeakPolarHBondContact CA-O 3.35Å; V1190-K1312 HydrophobicContact CG2-CB 4.12Å; V1190-K1312 HydrophobicContact CG2-CG 4Å |
| 1191 | Y | 85 | Confident | 70.5 | Confident | 55 Ų | 55 | 36 Ų | 36 | 22% | 0.216 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 155.2 | 176.4 | -66.4 | -92.2 | 0 | 0 | 0 | 110.9 | P1181 A1189 A1310 V1311 I1313 | P1181-Y1191 HydrophobicContact CB-CD1 4.31Å; P1181-Y1191 HydrophobicContact CB-CE1 3.98Å; A1189-Y1191 HydrophobicContact CB-CD2 4.4Å; A1189-Y1191 HydrophobicContact CB-CE2 3.65Å; Y1191-A1310 WeakPolarHBondContact O-CA 3.49Å; Y1191-V1311 PolarHBondContact N-O 3.03Å; Y1191-V1311 PolarHBondContact O-N 3.18Å; Y1191-I1313 HydrophobicContact CD2-CD1 3.5Å; Y1191-I1313 HydrophobicContact CD2-CG1 3.87Å; Y1191-I1313 HydrophobicContact CE2-CD1 3.77Å; Y1191-I1313 HydrophobicContact CE2-CG1 4.25Å; Y1191-I1313 HydrophobicContact CG-CD1 4.4Å |
| 1192 | Q | 83.8 | Confident | 69.6 | Low | 33 Ų | 33 | 37.8 Ų | 37.8 | 15% | 0.154 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 137.6 | 164.5 | -167.5 | 178.9 | 9.7 | 0 | 0 | 108.9 | N1176 L1182 Y1360 | N1176-Q1192 PolarHBondContact N-O 2.97Å; L1182-Q1192 HydrophobicContact CD1-CB 4.04Å; L1182-Q1192 HydrophobicContact CD2-CB 4.3Å; L1182-Q1192 HydrophobicContact CG-CB 4.32Å; Q1192-Y1360 HydrophobicContact CG-CD2 4.15Å; Q1192-Y1360 HydrophobicContact CG-CE2 4.14Å; Q1192-Y1360 HydrophobicContact CG-CG 4.48Å |
| 1193 | G | 83.7 | Confident | 68.1 | Low | 3 Ų | 3 | 40.5 Ų | 40.5 | 3% | 0.031 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | -179.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | C1174 V1309 | C1174-G1193 CarbonylContact O-C 3.05Å; C1174-G1193 WeakPolarHBondContact O-CA 3.45Å; G1193-V1309 PolarHBondContact N-O 2.98Å; G1193-V1309 PolarHBondContact O-N 3.22Å |
| 1194 | I | 84.1 | Confident | 67.1 | Low | 45 Ų | 45 | 47.7 Ų | 47.7 | 23% | 0.231 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 126.8 | 175.1 | -56.1 | 177 | 0 | 0 | 0 | 107.7 | C1174 L1306 L1307 | C1174-I1194 HydrophobicContact CB-CB 4.41Å; C1174-I1194 PolarHBondContact N-O 2.64Å; C1174-I1194 PolarHBondContact O-N 2.63Å; I1194-L1306 HydrophobicContact CG2-CB 3.75Å; I1194-L1306 HydrophobicContact CG2-CD1 4.46Å; I1194-L1306 HydrophobicContact CG2-CD2 3.89Å; I1194-L1306 HydrophobicContact CG2-CG 4.25Å; I1194-L1307 CarbonylContact C-O 3.45Å; I1194-L1307 VanDerWaalsContact CA-O 3.3Å; I1194-L1307 WeakPolarHBondContact CA-O 3.03Å |
| 1195 | W | 84.3 | Confident | 66.2 | Low | 3 Ų | 3 | 46.2 Ų | 46.2 | 1% | 0.011 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 126.7 | 173.3 | 178.7 | 26.4 | 0 | 0 | 0 | 110.4 | V1166 I1168 D1172 L1173 V1197 Y1202 L1205 L1306 L1307 V1309 L1345 | V1166-W1195 HydrophobicContact CG1-CH2 3.9Å; V1166-W1195 HydrophobicContact CG1-CZ2 4.07Å; I1168-W1195 HydrophobicContact CD1-CD2 3.91Å; I1168-W1195 HydrophobicContact CD1-CE3 4.04Å; I1168-W1195 HydrophobicContact CD1-CH2 4.16Å; I1168-W1195 HydrophobicContact CD1-CZ2 4Å; I1168-W1195 HydrophobicContact CD1-CZ3 4.16Å; I1168-W1195 HydrophobicContact CG1-CD2 4.42Å; I1168-W1195 HydrophobicContact CG1-CH2 4.33Å; I1168-W1195 HydrophobicContact CG1-CZ2 3.82Å; I1168-W1195 HydrophobicContact CG2-CG 4.38Å; D1172-W1195 CarbonylContact O-C 3.44Å; D1172-W1195 WeakPolarHBondContact O-CA 3.25Å; L1173-W1195 HydrophobicContact CD2-CB 3.93Å; L1173-W1195 HydrophobicContact CD2-CG 4.27Å; W1195-V1197 HydrophobicContact CD2-CG2 3.67Å; W1195-V1197 HydrophobicContact CE3-CG2 3.94Å; W1195-V1197 HydrophobicContact CG-CG2 4.08Å; W1195-V1197 HydrophobicContact CH2-CG2 4.29Å; W1195-V1197 HydrophobicContact CZ2-CG2 4.06Å; W1195-V1197 HydrophobicContact CZ3-CG2 4.25Å; W1195-Y1202 HydrophobicContact CZ2-CE2 4.25Å; W1195-L1205 HydrophobicContact CH2-CD1 3.9Å; W1195-L1205 HydrophobicContact CZ3-CD1 4.02Å; W1195-L1306 WeakPolarHBondContact O-CA 3.33Å; W1195-L1307 HydrophobicContact CE3-CD2 4.09Å; W1195-L1307 PolarHBondContact N-O 2.74Å; W1195-L1307 PolarHBondContact O-N 3.21Å; W1195-V1309 HydrophobicContact CB-CG1 4.06Å; W1195-V1309 HydrophobicContact CB-CG2 4.14Å; W1195-L1345 HydrophobicContact CZ3-CB 4.4Å |
| 1196 | K | 78 | Confident | 65.4 | Low | 39 Ų | 39 | 48.9 Ų | 48.9 | 17% | 0.17 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 113.2 | 173.8 | -176.1 | -173.8 | 179.8 | -176.2 | 0 | 109.8 | D1172 E1217 L1220 Y1304 L1306 | D1172-K1196 HydrophobicContact CB-CB 4.16Å; D1172-K1196 PolarHBondContact O-N 3.38Å; K1196-E1217 IonicContact NZ-OE1 3.63Å; K1196-E1217 PolarHBondContact NZ-OE1 2.68Å; K1196-L1220 HydrophobicContact CD-CD2 4.05Å; K1196-Y1304 HydrophobicContact CD-CD1 4.37Å; K1196-Y1304 HydrophobicContact CD-CE1 4.48Å; K1196-Y1304 HydrophobicContact CG-CD1 3.86Å; K1196-Y1304 HydrophobicContact CG-CE1 4.38Å; K1196-L1306 HydrophobicContact CB-CD2 4.18Å; K1196-L1306 HydrophobicContact CG-CD2 4.43Å |
| 1197 | V | 71.3 | Confident | 64.6 | Low | 4 Ų | 4 | 55 Ų | 55 | 2% | 0.024 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 118.6 | -178.1 | -170.8 | 0 | 0 | 0 | 0 | 109.6 | W1195 Y1202 L1205 Y1304 K1305 | W1195-V1197 HydrophobicContact CD2-CG2 3.67Å; W1195-V1197 HydrophobicContact CE3-CG2 3.94Å; W1195-V1197 HydrophobicContact CG-CG2 4.08Å; W1195-V1197 HydrophobicContact CH2-CG2 4.29Å; W1195-V1197 HydrophobicContact CZ2-CG2 4.06Å; W1195-V1197 HydrophobicContact CZ3-CG2 4.25Å; V1197-Y1202 HydrophobicContact CG1-CD2 3.66Å; V1197-Y1202 HydrophobicContact CG1-CG 4.13Å; V1197-L1205 HydrophobicContact CG1-CD2 4.31Å; V1197-L1205 HydrophobicContact CG2-CD2 4.21Å; V1197-Y1304 WeakPolarHBondContact O-CA 3.18Å; V1197-K1305 HydrophobicContact CB-CB 4.43Å; V1197-K1305 WeakPolarHBondContact CB-O 3.49Å; V1197-K1305 PolarHBondContact N-O 2.83Å; V1197-K1305 PolarHBondContact O-N 2.99Å |
| 1198 | C | 64.6 | Low | 63.9 | Low | 10 Ų | 10 | 55 Ų | 55 | 7% | 0.068 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 125.8 | 170.9 | -172.8 | 0 | 0 | 0 | 0 | 109.8 | T1200 D1201 K1302 Y1304 | C1198-T1200 PolarHBondContact O-N 3.43Å; C1198-T1200 PolarHBondContact SG-OG1 3.03Å; C1198-D1201 HydrophobicContact CB-CB 4.4Å; C1198-D1201 VanDerWaalsContact CB-OD2 3.25Å; C1198-D1201 WeakPolarHBondContact CB-OD2 3.05Å; C1198-D1201 PolarHBondContact O-N 3.32Å; C1198-K1302 PolarHBondContact SG-NZ 3.14Å; C1198-Y1304 HydrophobicContact CB-CD1 4.04Å; C1198-Y1304 HydrophobicContact CB-CE1 3.81Å |
| 1199 | Q | 60.1 | Low | 62.5 | Low | 62 Ų | 62 | 61.6 Ų | 61.6 | 29% | 0.29 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -26.9 | -172.4 | -68.4 | -167.6 | 38.1 | 0 | 0 | 114.1 | D1201 E1303 K1305 | Q1199-D1201 PolarHBondContact O-N 3.03Å; Q1199-E1303 PolarHBondContact N-O 3.12Å; Q1199-E1303 VanDerWaalsContact N-O 3.15Å; Q1199-E1303 PolarHBondContact NE2-OE1 3.3Å; Q1199-K1305 HydrophobicContact CG-CD 4.13Å; Q1199-K1305 HydrophobicContact CG-CG 4.03Å |
| 1200 | T | 55.3 | Low | 61.1 | Low | 96 Ų | 96 | 64.5 Ų | 64.5 | 59% | 0.589 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -25.2 | 175.6 | 52 | 0 | 0 | 0 | 0 | 113.4 | C1198 | C1198-T1200 PolarHBondContact O-N 3.43Å; C1198-T1200 PolarHBondContact SG-OG1 3.03Å |
| 1201 | D | 51.5 | Low | 59.4 | Low | 88 Ų | 88 | 65.6 Ų | 65.6 | 47% | 0.471 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | -20.4 | -163.5 | -51.8 | -18.1 | 0 | 0 | 0 | 110.8 | C1198 Q1199 K1302 | C1198-D1201 HydrophobicContact CB-CB 4.4Å; C1198-D1201 VanDerWaalsContact CB-OD2 3.25Å; C1198-D1201 WeakPolarHBondContact CB-OD2 3.05Å; C1198-D1201 PolarHBondContact O-N 3.32Å; Q1199-D1201 PolarHBondContact O-N 3.03Å; D1201-K1302 IonicContact OD1-NZ 2.71Å; D1201-K1302 IonicContact OD2-NZ 3.52Å; D1201-K1302 PolarHBondContact OD2-NZ 2.98Å |
| 1202 | Y | 53.7 | Low | 57.6 | Low | 80 Ų | 80 | 65.6 Ų | 65.6 | 31% | 0.314 | 35% | 0.351 | S | S | . | . | trans | -139.4 | 65.6 | 179.8 | -55.4 | -80.9 | 0 | 0 | 0 | 113.2 | V1166 M1167 W1195 V1197 N1204 L1205 | V1166-Y1202 HydrophobicContact CG1-CD1 4.41Å; V1166-Y1202 HydrophobicContact CG1-CE1 3.66Å; M1167-Y1202 PolarHBondContact O-OH 3.3Å; W1195-Y1202 HydrophobicContact CZ2-CE2 4.25Å; V1197-Y1202 HydrophobicContact CG1-CD2 3.66Å; V1197-Y1202 HydrophobicContact CG1-CG 4.13Å; Y1202-N1204 PolarHBondContact O-N 3.09Å; Y1202-L1205 PolarHBondContact O-N 2.82Å | ||
| 1203 | P | 39.9 | Very low | 55.8 | Low | 103 Ų | 103 | 67.1 Ų | 67.1 | 67% | 0.669 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -17.8 | -174.5 | 26.9 | -36.2 | 0 | 0 | 0 | 114.9 | ||
| 1204 | N | 45.3 | Very low | 54.2 | Low | 155 Ų | 155 | 67 Ų | 67 | 83% | 0.829 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.4 | 28 | -176.5 | -64.4 | -48.4 | 0 | 0 | 0 | 113.1 | Y1202 | Y1202-N1204 PolarHBondContact O-N 3.09Š|
| 1205 | L | 47.5 | Very low | 52.4 | Low | 46 Ų | 46 | 69.2 Ų | 69.2 | 24% | 0.241 | 37% | 0.374 | C | S | . | . | trans | -61.8 | 134.6 | 173.2 | -143.7 | 80.8 | 0 | 0 | 0 | 109.4 | W1195 V1197 Y1202 L1307 | W1195-L1205 HydrophobicContact CH2-CD1 3.9Å; W1195-L1205 HydrophobicContact CZ3-CD1 4.02Å; V1197-L1205 HydrophobicContact CG1-CD2 4.31Å; V1197-L1205 HydrophobicContact CG2-CD2 4.21Å; Y1202-L1205 PolarHBondContact O-N 2.82Å; L1205-L1307 HydrophobicContact CD2-CD2 4.41Å | ||
| 1206 | P | 41.9 | Very low | 50.8 | Low | 87 Ų | 87 | 72.5 Ų | 72.5 | 57% | 0.565 | 39% | 0.392 | S | S | * | . | trans | -57 | 145.5 | 176.9 | -25.3 | 34.7 | 0 | 0 | 0 | 111.9 | I1208 | P1206-I1208 VanDerWaalsContact C-N 3.27Å; P1206-I1208 HydrophobicContact CB-CG1 4.34Å; P1206-I1208 PolarHBondContact O-N 3.21Å | ||
| 1207 | N | 38.4 | Very low | 49.5 | Very low | 158 Ų | 158 | 75.7 Ų | 75.7 | 85% | 0.845 | 41% | 0.408 | S | S | * | . | trans | -68.2 | 86.8 | 173.4 | -89 | -11.4 | 0 | 0 | 0 | 110.1 | ||||
| 1208 | I | 44.6 | Very low | 48.7 | Very low | 33 Ų | 33 | 82.6 Ų | 82.6 | 17% | 0.169 | 44% | 0.44 | C | S | . | . | trans | -93.5 | 128.2 | 173.1 | -61.7 | 162.8 | 0 | 0 | 0 | 107.2 | P1206 Y1210 L1307 L1345 | P1206-I1208 VanDerWaalsContact C-N 3.27Å; P1206-I1208 HydrophobicContact CB-CG1 4.34Å; P1206-I1208 PolarHBondContact O-N 3.21Å; I1208-Y1210 HydrophobicContact CG2-CD2 3.7Å; I1208-Y1210 HydrophobicContact CG2-CE2 4.49Å; I1208-Y1210 HydrophobicContact CG2-CG 4.46Å; I1208-Y1210 PolarHBondContact O-N 2.67Å; I1208-L1307 HydrophobicContact CB-CD1 3.89Å; I1208-L1307 HydrophobicContact CD1-CD1 4.19Å; I1208-L1307 HydrophobicContact CD1-CD2 4.02Å; I1208-L1307 HydrophobicContact CG2-CD1 3.78Å; I1208-L1345 HydrophobicContact CD1-CD1 4.32Å; I1208-L1345 HydrophobicContact CD1-CD2 3.88Å | ||
| 1209 | N | 38.8 | Very low | 48.1 | Very low | 142 Ų | 142 | 84.4 Ų | 84.4 | 76% | 0.759 | 45% | 0.447 | S | S | * | . | S | Bend | trans | -72.8 | 25.7 | -169.3 | -63.4 | -17.4 | 0 | 0 | 0 | 115.1 | ||
| 1210 | Y | 47.3 | Very low | 47.4 | Very low | 70 Ų | 70 | 82.2 Ų | 82.2 | 28% | 0.275 | 44% | 0.437 | S | S | . | . | trans | -134.3 | 47.6 | -171 | -53.3 | -58.2 | 0 | 0 | 0 | 111.8 | I1208 L1233 | I1208-Y1210 HydrophobicContact CG2-CD2 3.7Å; I1208-Y1210 HydrophobicContact CG2-CE2 4.49Å; I1208-Y1210 HydrophobicContact CG2-CG 4.46Å; I1208-Y1210 PolarHBondContact O-N 2.67Å; Y1210-L1233 HydrophobicContact CD1-CD1 4.4Å | ||
| 1211 | V | 47.6 | Very low | 46.8 | Very low | 65 Ų | 65 | 83.5 Ų | 83.5 | 39% | 0.394 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 124.1 | -178.9 | 171.6 | 0 | 0 | 0 | 0 | 111.3 | T1213 K1305 L1306 L1307 | V1211-T1213 HydrophobicContact CG1-CG2 4.31Å; V1211-K1305 HydrophobicContact CG1-CB 3.85Å; V1211-K1305 HydrophobicContact CG1-CD 3.85Å; V1211-K1305 HydrophobicContact CG1-CG 3.64Å; V1211-L1306 WeakPolarHBondContact CA-O 3.36Å; V1211-L1307 HydrophobicContact CG2-CD1 4.39Å |
| 1212 | I | 47.2 | Very low | 46.7 | Very low | 55 Ų | 55 | 85.2 Ų | 85.2 | 28% | 0.282 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 131 | 166.6 | -50.7 | 171.5 | 0 | 0 | 0 | 108.4 | L1306 | I1212-L1306 HydrophobicContact CB-CB 4.18Å; I1212-L1306 HydrophobicContact CB-CD1 4.49Å; I1212-L1306 PolarHBondContact N-O 3.01Å; I1212-L1306 PolarHBondContact O-N 3.37Å |
| 1213 | T | 46.8 | Very low | 46.5 | Very low | 66 Ų | 66 | 84 Ų | 84 | 41% | 0.405 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 150 | 177.2 | 48.9 | 0 | 0 | 0 | 0 | 112.3 | V1211 K1223 Y1304 K1305 | V1211-T1213 HydrophobicContact CG1-CG2 4.31Å; T1213-K1223 PolarHBondContact O-NZ 3.17Å; T1213-Y1304 WeakPolarHBondContact CA-O 3.29Å; T1213-K1305 HydrophobicContact CG2-CG 4.38Å |
| 1214 | A | 49.4 | Very low | 46.8 | Very low | 1 Ų | 1 | 82 Ų | 82 | 1% | 0.008 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 144 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | L1220 K1223 Y1304 | A1214-L1220 HydrophobicContact CB-CB 4.39Å; A1214-L1220 HydrophobicContact CB-CD1 3.75Å; A1214-K1223 HydrophobicContact CB-CD 4.36Å; A1214-Y1304 PolarHBondContact N-O 3.2Å; A1214-Y1304 PolarHBondContact O-N 3.08Å |
| 1215 | N | 47.2 | Very low | 46.7 | Very low | 91 Ų | 91 | 80.9 Ų | 80.9 | 49% | 0.487 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -95.3 | -17.3 | -169.1 | -54.2 | -88.2 | 0 | 0 | 0 | 114 | E1219 | N1215-E1219 WeakPolarHBondContact CA-OE2 3.23Å; N1215-E1219 WeakPolarHBondContact CB-OE2 3.26Å; N1215-E1219 PolarHBondContact N-OE2 2.96Å; N1215-E1219 PolarHBondContact ND2-OE1 3.03Å; N1215-E1219 PolarHBondContact ND2-OE2 3.13Å |
| 1216 | N | 51.6 | Low | 46.3 | Very low | 72 Ų | 72 | 82.9 Ų | 82.9 | 39% | 0.385 | 44% | 0.44 | S | S | . | . | S | Bend | trans | -154.9 | 175.1 | 172.6 | 70.6 | 16.3 | 0 | 0 | 0 | 110.8 | E1218 E1219 L1220 | N1216-E1218 PolarHBondContact OD1-N 3.32Å; N1216-E1219 WeakPolarHBondContact OD1-CB 3.06Å; N1216-E1219 PolarHBondContact OD1-N 3.15Å; N1216-L1220 WeakPolarHBondContact O-CB 3.15Å; N1216-L1220 PolarHBondContact O-N 2.59Å; N1216-L1220 VanDerWaalsContact O-N 3.1Å |
| 1217 | E | 49.3 | Very low | 45.9 | Very low | 106 Ų | 106 | 83.3 Ų | 83.3 | 50% | 0.495 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -77.3 | -20.2 | -177.3 | -61.5 | -162.9 | 118.5 | 0 | 0 | 114.3 | K1196 L1220 M1221 | K1196-E1217 IonicContact NZ-OE1 3.63Å; K1196-E1217 PolarHBondContact NZ-OE1 2.68Å; E1217-L1220 WeakPolarHBondContact O-CB 3.4Å; E1217-L1220 PolarHBondContact O-N 2.72Å; E1217-M1221 WeakPolarHBondContact O-CB 3.32Å; E1217-M1221 WeakPolarHBondContact O-CG 3.49Å; E1217-M1221 PolarHBondContact O-N 3.18Å |
| 1218 | E | 54.3 | Low | 45.6 | Very low | 149 Ų | 149 | 81.1 Ų | 81.1 | 70% | 0.696 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -71.5 | -44.1 | 172.8 | -67.5 | 177.6 | 122.3 | 0 | 0 | 111.2 | N1216 L1220 M1221 L1222 | N1216-E1218 PolarHBondContact OD1-N 3.32Å; E1218-L1220 VanDerWaalsContact C-N 3.28Å; E1218-L1220 PolarHBondContact O-N 3.11Å; E1218-M1221 PolarHBondContact O-N 2.85Å; E1218-L1222 WeakPolarHBondContact O-CB 3.35Å; E1218-L1222 PolarHBondContact O-N 3.25Å |
| 1219 | E | 53.4 | Low | 45.1 | Very low | 48 Ų | 48 | 81.2 Ų | 81.2 | 22% | 0.224 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -63 | -36.5 | 172.1 | -168.7 | -166.4 | 161.3 | 0 | 0 | 111.1 | N1215 N1216 L1222 K1223 | N1215-E1219 WeakPolarHBondContact CA-OE2 3.23Å; N1215-E1219 WeakPolarHBondContact CB-OE2 3.26Å; N1215-E1219 PolarHBondContact N-OE2 2.96Å; N1215-E1219 PolarHBondContact ND2-OE1 3.03Å; N1215-E1219 PolarHBondContact ND2-OE2 3.13Å; N1216-E1219 WeakPolarHBondContact OD1-CB 3.06Å; N1216-E1219 PolarHBondContact OD1-N 3.15Å; E1219-L1222 PolarHBondContact O-N 3.39Å; E1219-K1223 HydrophobicContact CG-CD 4.18Å; E1219-K1223 WeakPolarHBondContact O-CB 3.34Å; E1219-K1223 WeakPolarHBondContact O-CG 3.47Å; E1219-K1223 PolarHBondContact O-N 3.41Å; E1219-K1223 WeakPolarHBondContact OE1-CE 3.48Å; E1219-K1223 IonicContact OE1-NZ 3.66Å; E1219-K1223 PolarHBondContact OE1-NZ 3.19Å |
| 1220 | L | 45.7 | Very low | 44.9 | Very low | 15 Ų | 15 | 76.4 Ų | 76.4 | 8% | 0.079 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -61.1 | -50.2 | 172.2 | -160.3 | 82.3 | 0 | 0 | 0 | 111 | K1196 A1214 N1216 E1217 E1218 L1222 K1223 V1224 L1306 | K1196-L1220 HydrophobicContact CD-CD2 4.05Å; A1214-L1220 HydrophobicContact CB-CB 4.39Å; A1214-L1220 HydrophobicContact CB-CD1 3.75Å; N1216-L1220 WeakPolarHBondContact O-CB 3.15Å; N1216-L1220 PolarHBondContact O-N 2.59Å; N1216-L1220 VanDerWaalsContact O-N 3.1Å; E1217-L1220 WeakPolarHBondContact O-CB 3.4Å; E1217-L1220 PolarHBondContact O-N 2.72Å; E1218-L1220 VanDerWaalsContact C-N 3.28Å; E1218-L1220 PolarHBondContact O-N 3.11Å; L1220-L1222 VanDerWaalsContact C-N 3.33Å; L1220-L1222 PolarHBondContact O-N 2.83Å; L1220-K1223 PolarHBondContact O-N 3.34Å; L1220-V1224 WeakPolarHBondContact O-CB 3.25Å; L1220-V1224 VanDerWaalsContact O-CG2 3.26Å; L1220-V1224 WeakPolarHBondContact O-CG2 3.28Å; L1220-V1224 PolarHBondContact O-N 3.44Å; L1220-L1306 HydrophobicContact CD1-CD1 4.03Å; L1220-L1306 HydrophobicContact CD1-CD2 3.97Å; L1220-L1306 HydrophobicContact CD1-CG 4.1Å |
| 1221 | M | 41.6 | Very low | 44.3 | Very low | 123 Ų | 123 | 77.2 Ų | 77.2 | 61% | 0.606 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -65.7 | -33.9 | 179.2 | -71.6 | -72 | -81.4 | 0 | 0 | 112.3 | E1217 E1218 N1225 | E1217-M1221 WeakPolarHBondContact O-CB 3.32Å; E1217-M1221 WeakPolarHBondContact O-CG 3.49Å; E1217-M1221 PolarHBondContact O-N 3.18Å; E1218-M1221 PolarHBondContact O-N 2.85Å; M1221-N1225 WeakPolarHBondContact O-CB 3.22Å; M1221-N1225 PolarHBondContact O-N 3.3Å; M1221-N1225 PolarHBondContact O-ND2 2.92Å |
| 1222 | L | 49.6 | Very low | 43.3 | Very low | 125 Ų | 125 | 80.9 Ų | 80.9 | 65% | 0.654 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -67.5 | -49.6 | 171.6 | -84 | 158.3 | 0 | 0 | 0 | 111.7 | E1218 E1219 L1220 N1225 S1226 | E1218-L1222 WeakPolarHBondContact O-CB 3.35Å; E1218-L1222 PolarHBondContact O-N 3.25Å; E1219-L1222 PolarHBondContact O-N 3.39Å; L1220-L1222 VanDerWaalsContact C-N 3.33Å; L1220-L1222 PolarHBondContact O-N 2.83Å; L1222-N1225 PolarHBondContact O-N 2.73Å; L1222-S1226 WeakPolarHBondContact O-CB 3.07Å; L1222-S1226 PolarHBondContact O-N 2.92Å; L1222-S1226 VanDerWaalsContact O-N 3.12Å; L1222-S1226 PolarHBondContact O-OG 2.91Å |
| 1223 | K | 49.1 | Very low | 42.3 | Very low | 55 Ų | 55 | 84.2 Ų | 84.2 | 24% | 0.239 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -62.2 | -44.9 | 179.7 | -78.9 | 173.7 | 166.5 | 171.7 | 0 | 112.3 | T1213 A1214 E1219 L1220 N1225 S1226 Q1227 | T1213-K1223 PolarHBondContact O-NZ 3.17Å; A1214-K1223 HydrophobicContact CB-CD 4.36Å; E1219-K1223 HydrophobicContact CG-CD 4.18Å; E1219-K1223 WeakPolarHBondContact O-CB 3.34Å; E1219-K1223 WeakPolarHBondContact O-CG 3.47Å; E1219-K1223 PolarHBondContact O-N 3.41Å; E1219-K1223 WeakPolarHBondContact OE1-CE 3.48Å; E1219-K1223 IonicContact OE1-NZ 3.66Å; E1219-K1223 PolarHBondContact OE1-NZ 3.19Å; L1220-K1223 PolarHBondContact O-N 3.34Å; K1223-N1225 VanDerWaalsContact C-N 3.31Å; K1223-N1225 PolarHBondContact O-N 2.92Å; K1223-S1226 PolarHBondContact O-N 2.94Å; K1223-S1226 PolarHBondContact O-OG 3.22Å; K1223-Q1227 PolarHBondContact O-N 3.44Å |
| 1224 | V | 47.4 | Very low | 41.3 | Very low | 60 Ų | 60 | 86.9 Ų | 86.9 | 36% | 0.364 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.5 | -33 | 179.5 | 170.3 | 0 | 0 | 0 | 0 | 112.4 | L1220 L1306 | L1220-V1224 WeakPolarHBondContact O-CB 3.25Å; L1220-V1224 VanDerWaalsContact O-CG2 3.26Å; L1220-V1224 WeakPolarHBondContact O-CG2 3.28Å; L1220-V1224 PolarHBondContact O-N 3.44Å; V1224-L1306 HydrophobicContact CG2-CD1 4.3Å |
| 1225 | N | 42.5 | Very low | 40.2 | Very low | 131 Ų | 131 | 92.8 Ų | 92.8 | 70% | 0.701 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -88.1 | -9.2 | 178.2 | -73.9 | -67 | 0 | 0 | 0 | 114.6 | M1221 L1222 K1223 | M1221-N1225 WeakPolarHBondContact O-CB 3.22Å; M1221-N1225 PolarHBondContact O-N 3.3Å; M1221-N1225 PolarHBondContact O-ND2 2.92Å; L1222-N1225 PolarHBondContact O-N 2.73Å; K1223-N1225 VanDerWaalsContact C-N 3.31Å; K1223-N1225 PolarHBondContact O-N 2.92Å |
| 1226 | S | 39.8 | Very low | 39.2 | Very low | 88 Ų | 88 | 93.3 Ų | 93.3 | 62% | 0.615 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -112.2 | -11.6 | -176.3 | 56.8 | 0 | 0 | 0 | 0 | 115.3 | L1222 K1223 | L1222-S1226 WeakPolarHBondContact O-CB 3.07Å; L1222-S1226 PolarHBondContact O-N 2.92Å; L1222-S1226 VanDerWaalsContact O-N 3.12Å; L1222-S1226 PolarHBondContact O-OG 2.91Å; K1223-S1226 PolarHBondContact O-N 2.94Å; K1223-S1226 PolarHBondContact O-OG 3.22Å |
| 1227 | Q | 33.3 | Very low | 38.1 | Very low | 97 Ų | 97 | 96.4 Ų | 96.4 | 45% | 0.453 | 55% | 0.548 | S | S | . | . | trans | -115.8 | 93.9 | -177.8 | -66.3 | -170.1 | -30 | 0 | 0 | 113 | K1223 S1229 | K1223-Q1227 PolarHBondContact O-N 3.44Å; Q1227-S1229 PolarHBondContact O-N 2.9Å | ||
| 1228 | S | 30.5 | Very low | 36.9 | Very low | 112 Ų | 112 | 96.9 Ų | 96.9 | 78% | 0.783 | 56% | 0.56 | S | S | * | * | trans | -77.3 | 36.3 | 170.6 | 62.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 1229 | S | 33.9 | Very low | 35.4 | Very low | 35 Ų | 35 | 98 Ų | 98 | 25% | 0.245 | 57% | 0.567 | C | S | . | * | trans | -151.7 | 81 | -155.5 | 60.8 | 0 | 0 | 0 | 0 | 116.3 | Q1227 S1231 | Q1227-S1229 PolarHBondContact O-N 2.9Å; S1229-S1231 WeakPolarHBondContact CA-OG 3.24Å; S1229-S1231 PolarHBondContact O-N 3.04Å | ||
| 1230 | C | 34.6 | Very low | 34.1 | Very low | 40 Ų | 40 | 101 Ų | 101 | 27% | 0.27 | 59% | 0.585 | S | S | . | * | S | Bend | trans | -75.8 | 19.2 | 144 | -60.5 | 0 | 0 | 0 | 0 | 110.7 | C1308 | C1230-C1308 HydrophobicContact CB-CB 4.22Å; C1230-C1308 WeakPolarHBondContact CB-SG 3.48Å; C1230-C1308 WeakPolarHBondContact SG-CB 3.32Å; C1230-C1308 CovalentContact SG-SG 2.07Å; C1230-C1308 PolarHBondContact SG-SG 2.95Å |
| 1231 | S | 34.5 | Very low | 33.1 | Very low | 87 Ų | 87 | 107.6 Ų | 107.6 | 61% | 0.608 | 62% | 0.615 | S | S | * | * | trans | -120.3 | 19.8 | -164.2 | 58.7 | 0 | 0 | 0 | 0 | 114.4 | S1229 | S1229-S1231 WeakPolarHBondContact CA-OG 3.24Å; S1229-S1231 PolarHBondContact O-N 3.04Å | ||
| 1232 | L | 28 | Very low | 32.3 | Very low | 142 Ų | 142 | 108.7 Ų | 108.7 | 74% | 0.743 | 62% | 0.621 | S | S | * | * | trans | -125 | 22.2 | 179.8 | -79 | 170.9 | 0 | 0 | 0 | 113.3 | ||||
| 1233 | L | 25.9 | Very low | 31.1 | Very low | 126 Ų | 126 | 108.7 Ų | 108.7 | 66% | 0.66 | 62% | 0.622 | S | S | * | * | trans | -117.8 | 59.9 | 180 | -71.7 | 171.4 | 0 | 0 | 0 | 111.6 | Y1210 | Y1210-L1233 HydrophobicContact CD1-CD1 4.4Š| ||
| 1234 | T | 24.9 | Very low | 29.8 | Very low | 122 Ų | 122 | 112.2 Ų | 112.2 | 75% | 0.748 | 65% | 0.648 | S | S | * | * | trans | -138 | 59.9 | 177.1 | 57 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1235 | T | 26.5 | Very low | 28.7 | Very low | 124 Ų | 124 | 115.5 Ų | 115.5 | 76% | 0.761 | 67% | 0.667 | S | S | * | * | trans | -135.3 | 107.3 | 158.5 | 50.3 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 1236 | S | 26.7 | Very low | 27.7 | Very low | 103 Ų | 103 | 113.9 Ų | 113.9 | 72% | 0.72 | 67% | 0.666 | S | S | * | * | 42.5 | 116.2 | 88.5 | 68.9 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 1237 | T | 28.1 | Very low | 26.9 | Very low | 136 Ų | 136 | 115.3 Ų | 115.3 | 83% | 0.834 | 67% | 0.671 | S | S | * | * | cis | -142.7 | 173.4 | 36.4 | 34.5 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1238 | P | 24.8 | Very low | 26.5 | Very low | 117 Ų | 117 | 117.1 Ų | 117.1 | 76% | 0.76 | 68% | 0.684 | S | S | * | * | trans | -95 | 150.2 | -169.6 | 36 | -35.5 | 0 | 0 | 0 | 116.4 | ||||
| 1239 | M | 22.6 | Very low | 26.1 | Very low | 172 Ų | 172 | 120.1 Ų | 120.1 | 85% | 0.847 | 69% | 0.686 | S | S | * | * | trans | 65.4 | 143.9 | 154.5 | -66.7 | -167.1 | 75 | 0 | 0 | 122.2 | ||||
| 1240 | N | 25.2 | Very low | 25.8 | Very low | 112 Ų | 112 | 126 Ų | 126 | 60% | 0.599 | 71% | 0.713 | S | S | * | * | trans | 79.8 | 134.7 | 157 | -80 | 31.1 | 0 | 0 | 0 | 122.2 | ||||
| 1241 | E | 25 | Very low | 25.3 | Very low | 152 Ų | 152 | 131 Ų | 131 | 71% | 0.71 | 74% | 0.737 | S | S | * | * | trans | 66.4 | 148.6 | 146.6 | -73.1 | 158.9 | -121.9 | 0 | 0 | 119.8 | ||||
| 1242 | M | 24.4 | Very low | 24.9 | Very low | 146 Ų | 146 | 132.1 Ų | 132.1 | 72% | 0.719 | 75% | 0.745 | S | S | * | * | cis | -157 | 168.3 | -34.8 | -134 | -171 | -138.1 | 0 | 0 | 109.1 | ||||
| 1243 | N | 24.6 | Very low | 24.8 | Very low | 126 Ų | 126 | 129.8 Ų | 129.8 | 67% | 0.674 | 74% | 0.74 | S | S | * | * | trans | 49.8 | 108 | 153.8 | -58.7 | -25.6 | 0 | 0 | 0 | 120.3 | ||||
| 1244 | V | 22.6 | Very low | 24.8 | Very low | 129 Ų | 129 | 131 Ų | 131 | 78% | 0.782 | 75% | 0.747 | S | S | * | * | 31.3 | 114.2 | 109.5 | -176.3 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 1245 | V | 23.9 | Very low | 25.1 | Very low | 129 Ų | 129 | 133.5 Ų | 133.5 | 78% | 0.782 | 76% | 0.755 | S | S | * | * | -161.7 | 123.5 | 118.2 | 140.3 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 1246 | S | 21.2 | Very low | 25 | Very low | 96 Ų | 96 | 137.6 Ų | 137.6 | 67% | 0.671 | 76% | 0.756 | S | S | * | * | trans | 18 | 163.7 | 145 | -47.8 | 0 | 0 | 0 | 0 | 125.4 | ||||
| 1247 | T | 24.3 | Very low | 25.2 | Very low | 119 Ų | 119 | 141.2 Ų | 141.2 | 73% | 0.73 | 76% | 0.762 | S | S | * | * | trans | 81.1 | 95 | 145.8 | 31.1 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1248 | N | 23.8 | Very low | 25.2 | Very low | 135 Ų | 135 | 140.5 Ų | 140.5 | 72% | 0.722 | 75% | 0.752 | S | S | * | * | 46.2 | 129.7 | 110.1 | -76.1 | -8.6 | 0 | 0 | 0 | 121.4 | |||||
| 1249 | Q | 23.6 | Very low | 25.3 | Very low | 174 Ų | 174 | 142.3 Ų | 142.3 | 81% | 0.813 | 75% | 0.751 | S | S | * | * | trans | 69.6 | 132.3 | 148.6 | -59.1 | 167.9 | 3.9 | 0 | 0 | 115.4 | ||||
| 1250 | I | 27 | Very low | 25.7 | Very low | 159 Ų | 159 | 139.6 Ų | 139.6 | 82% | 0.815 | 74% | 0.744 | S | S | * | * | -159.8 | 158.2 | 78 | -94.5 | 165.4 | 0 | 0 | 0 | 111.1 | |||||
| 1251 | N | 24.2 | Very low | 25.7 | Very low | 145 Ų | 145 | 140.7 Ų | 140.7 | 78% | 0.775 | 75% | 0.75 | S | S | * | * | trans | -73.5 | 164.3 | 176.6 | -48.7 | -63.3 | 0 | 0 | 0 | 112.7 | ||||
| 1252 | S | 26.2 | Very low | 25.9 | Very low | 111 Ų | 111 | 139.5 Ų | 139.5 | 78% | 0.776 | 75% | 0.753 | S | S | * | * | trans | 144 | 148.5 | 131.3 | -66.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 1253 | S | 26 | Very low | 25.9 | Very low | 93 Ų | 93 | 137.3 Ų | 137.3 | 65% | 0.65 | 75% | 0.752 | S | S | * | * | cis | 168.8 | 150.5 | -34.9 | 47.9 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 1254 | N | 26 | Very low | 26.1 | Very low | 150 Ų | 150 | 135.4 Ų | 135.4 | 80% | 0.802 | 75% | 0.754 | S | S | * | * | trans | 19.8 | 114.8 | 158.8 | -52.9 | -24.4 | 0 | 0 | 0 | 119.3 | ||||
| 1255 | I | 30 | Very low | 26.2 | Very low | 176 Ų | 176 | 135 Ų | 135 | 90% | 0.903 | 75% | 0.752 | S | S | * | * | trans | -126.6 | 144.5 | 132.4 | -91.7 | 154.7 | 0 | 0 | 0 | 107.4 | ||||
| 1256 | R | 25 | Very low | 26.4 | Very low | 210 Ų | 210 | 136 Ų | 136 | 79% | 0.792 | 75% | 0.748 | S | S | * | * | trans | -110.9 | 156.4 | 175.1 | -61.9 | 168.8 | 172.1 | 163.4 | -6.4 | 108.1 | ||||
| 1257 | E | 30.7 | Very low | 26.7 | Very low | 179 Ų | 179 | 138.8 Ų | 138.8 | 84% | 0.836 | 75% | 0.75 | S | S | * | * | -179.3 | 129.3 | 128.5 | -94.6 | 144.1 | -147.3 | 0 | 0 | 106.2 | |||||
| 1258 | N | 28.5 | Very low | 26.9 | Very low | 120 Ų | 120 | 137 Ų | 137 | 64% | 0.642 | 74% | 0.743 | S | S | * | * | 68.7 | 136.5 | 70.9 | -67.4 | 35.1 | 0 | 0 | 0 | 110.6 | |||||
| 1259 | E | 27.5 | Very low | 27.1 | Very low | 155 Ų | 155 | 135.6 Ų | 135.6 | 72% | 0.724 | 74% | 0.743 | S | S | * | * | cis | -161.2 | -162 | 14.2 | -136.6 | 165.5 | -116.6 | 0 | 0 | 113.4 | ||||
| 1260 | V | 30.9 | Very low | 27.4 | Very low | 116 Ų | 116 | 133.8 Ų | 133.8 | 70% | 0.703 | 74% | 0.738 | S | S | * | * | trans | 76.3 | 72.9 | 164.5 | -156.6 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1261 | N | 24.9 | Very low | 27.8 | Very low | 134 Ų | 134 | 132.8 Ų | 132.8 | 72% | 0.717 | 73% | 0.733 | S | S | * | * | 37.1 | 163.9 | 101.2 | -63.9 | -32.1 | 0 | 0 | 0 | 121.7 | |||||
| 1262 | T | 29 | Very low | 28 | Very low | 128 Ų | 128 | 131.6 Ų | 131.6 | 79% | 0.785 | 73% | 0.726 | S | S | * | * | trans | 76.3 | 138.1 | 170.2 | 68.8 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1263 | S | 24.5 | Very low | 28.3 | Very low | 99 Ų | 99 | 132.3 Ų | 132.3 | 69% | 0.692 | 72% | 0.717 | S | S | * | * | cis | 166.5 | 155.3 | -34.6 | 44.8 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 1264 | A | 28.2 | Very low | 28.7 | Very low | 86 Ų | 86 | 135.6 Ų | 135.6 | 71% | 0.711 | 72% | 0.72 | S | S | * | * | trans | 68.2 | 154.9 | 164.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1265 | T | 25.2 | Very low | 29 | Very low | 121 Ų | 121 | 134.3 Ų | 134.3 | 74% | 0.742 | 71% | 0.713 | S | S | * | * | cis | -158.4 | -175 | -32.6 | 26.1 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 1266 | E | 27.3 | Very low | 29 | Very low | 151 Ų | 151 | 131.6 Ų | 131.6 | 71% | 0.706 | 70% | 0.701 | S | S | * | * | trans | 79.6 | 111.1 | 155.6 | -44.7 | -143.9 | 116.9 | 0 | 0 | 115.2 | ||||
| 1267 | Q | 27.3 | Very low | 29.3 | Very low | 154 Ų | 154 | 127.5 Ų | 127.5 | 72% | 0.72 | 69% | 0.694 | S | S | * | * | 100 | 144.7 | 79.6 | -81.8 | -171.2 | 43 | 0 | 0 | 109.9 | |||||
| 1268 | S | 28.5 | Very low | 29.4 | Very low | 82 Ų | 82 | 124 Ų | 124 | 57% | 0.573 | 69% | 0.685 | S | S | * | * | cis | -166.5 | 144.5 | -20 | 52.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1269 | S | 28.4 | Very low | 29.4 | Very low | 105 Ų | 105 | 124.1 Ų | 124.1 | 73% | 0.734 | 69% | 0.686 | S | S | * | * | trans | 60.5 | -179 | 149.6 | 58.6 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1270 | I | 30.1 | Very low | 29.6 | Very low | 135 Ų | 135 | 125.2 Ų | 125.2 | 69% | 0.692 | 69% | 0.691 | S | S | * | * | cis | -145.4 | 141.9 | 23.8 | -80.3 | -173 | 0 | 0 | 0 | 111 | ||||
| 1271 | I | 34.7 | Very low | 29.6 | Very low | 138 Ų | 138 | 125.8 Ų | 125.8 | 71% | 0.708 | 69% | 0.69 | S | S | * | * | trans | 67.9 | 117.3 | 161.1 | -76.6 | 164.2 | 0 | 0 | 0 | 117.5 | ||||
| 1272 | N | 29.5 | Very low | 30.1 | Very low | 120 Ų | 120 | 125.9 Ų | 125.9 | 64% | 0.642 | 69% | 0.689 | S | S | * | * | 84.5 | 143.3 | 54.8 | -73.2 | -21.6 | 0 | 0 | 0 | 112.4 | |||||
| 1273 | Q | 31.3 | Very low | 30.2 | Very low | 126 Ų | 126 | 123.5 Ų | 123.5 | 59% | 0.589 | 68% | 0.678 | S | S | * | * | cis | -172.4 | -179.8 | -2.2 | -121 | 171.2 | 21.4 | 0 | 0 | 110.9 | ||||
| 1274 | K | 34.6 | Very low | 30.5 | Very low | 163 Ų | 163 | 126.8 Ų | 126.8 | 71% | 0.709 | 68% | 0.682 | S | S | * | * | trans | 73.6 | 144.6 | 152 | -74.1 | 146 | 177.8 | 159.2 | 0 | 116.3 | ||||
| 1275 | N | 33.5 | Very low | 30.5 | Very low | 122 Ų | 122 | 128.4 Ų | 128.4 | 65% | 0.652 | 68% | 0.683 | S | S | * | * | cis | -155.1 | 129.4 | -10.8 | -119.8 | 17.6 | 0 | 0 | 0 | 107.2 | ||||
| 1276 | N | 30 | Very low | 30.7 | Very low | 120 Ų | 120 | 126.3 Ų | 126.3 | 64% | 0.642 | 67% | 0.674 | S | S | * | * | 85.5 | 134 | 85.4 | -84.2 | 28.9 | 0 | 0 | 0 | 115.2 | |||||
| 1277 | N | 31.1 | Very low | 30.8 | Very low | 123 Ų | 123 | 126.1 Ų | 126.1 | 66% | 0.658 | 68% | 0.677 | S | S | * | * | trans | 84.8 | 128.9 | 136.7 | -77.1 | 32.9 | 0 | 0 | 0 | 121.1 | ||||
| 1278 | T | 31.8 | Very low | 30.9 | Very low | 105 Ų | 105 | 123.8 Ų | 123.8 | 64% | 0.644 | 68% | 0.678 | S | S | * | * | trans | 65.3 | 140.6 | 135.4 | 60.9 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1279 | D | 29.8 | Very low | 31 | Very low | 124 Ų | 124 | 126.2 Ų | 126.2 | 66% | 0.663 | 69% | 0.69 | S | S | * | * | cis | -165.9 | 171.5 | -10.7 | -101.6 | -22.3 | 0 | 0 | 0 | 107.3 | ||||
| 1280 | E | 31.3 | Very low | 31 | Very low | 177 Ų | 177 | 125.4 Ų | 125.4 | 83% | 0.827 | 69% | 0.689 | S | S | * | * | trans | 62.5 | 148.4 | 148.5 | -78.6 | 172.1 | -167.2 | 0 | 0 | 119.3 | ||||
| 1281 | D | 30.6 | Very low | 31.1 | Very low | 128 Ų | 128 | 125.1 Ų | 125.1 | 68% | 0.684 | 69% | 0.694 | S | S | * | * | cis | -161.3 | -174.8 | -16.9 | -164.2 | 3.8 | 0 | 0 | 0 | 108.5 | ||||
| 1282 | I | 36.4 | Very low | 30.9 | Very low | 137 Ų | 137 | 124.6 Ų | 124.6 | 70% | 0.703 | 70% | 0.697 | S | S | * | * | trans | 65.5 | 83.2 | 162.2 | -55.4 | 163.5 | 0 | 0 | 0 | 113.2 | ||||
| 1283 | S | 30.3 | Very low | 31.1 | Very low | 78 Ų | 78 | 124 Ų | 124 | 55% | 0.545 | 70% | 0.703 | S | S | . | * | 78 | 160.2 | 50.8 | 97.3 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 1284 | Q | 30.3 | Very low | 31.1 | Very low | 168 Ų | 168 | 128.1 Ų | 128.1 | 79% | 0.785 | 72% | 0.719 | S | S | * | * | trans | 70.7 | 137.9 | 162.9 | -71.7 | 168.9 | 57.7 | 0 | 0 | 116.9 | ||||
| 1285 | T | 29.4 | Very low | 31 | Very low | 119 Ų | 119 | 125.3 Ų | 125.3 | 73% | 0.73 | 73% | 0.725 | S | S | * | * | cis | 179.9 | 161.7 | -10.9 | 21 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 1286 | S | 28.6 | Very low | 30.7 | Very low | 78 Ų | 78 | 124.6 Ų | 124.6 | 55% | 0.545 | 73% | 0.73 | S | S | . | * | cis | 174.5 | 163.2 | -16.7 | 55.2 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1287 | N | 30 | Very low | 30.7 | Very low | 146 Ų | 146 | 124.1 Ų | 124.1 | 78% | 0.781 | 73% | 0.732 | S | S | * | * | trans | 66.1 | 159.3 | 157 | -54.3 | -25.1 | 0 | 0 | 0 | 116 | ||||
| 1288 | S | 29.3 | Very low | 30.6 | Very low | 105 Ų | 105 | 127 Ų | 127 | 73% | 0.734 | 74% | 0.741 | S | S | * | * | cis | -145.4 | 131.4 | -6.3 | 28.8 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 1289 | V | 30.1 | Very low | 30.7 | Very low | 134 Ų | 134 | 132 Ų | 132 | 81% | 0.812 | 75% | 0.754 | S | S | * | * | 74 | 130.3 | 68.4 | 172.2 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 1290 | A | 29 | Very low | 30.9 | Very low | 88 Ų | 88 | 131.3 Ų | 131.3 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | trans | 73.1 | 147.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1291 | T | 32.4 | Very low | 31.5 | Very low | 128 Ų | 128 | 131.5 Ų | 131.5 | 79% | 0.785 | 76% | 0.757 | S | S | * | * | cis | -143.3 | 154.1 | 6.3 | -25.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 1292 | T | 29.7 | Very low | 32.3 | Very low | 127 Ų | 127 | 129.6 Ų | 129.6 | 78% | 0.779 | 74% | 0.742 | S | S | * | * | trans | -47.4 | 154.1 | 167.5 | 53.2 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1293 | S | 33 | Very low | 33.2 | Very low | 109 Ų | 109 | 127.5 Ų | 127.5 | 76% | 0.762 | 73% | 0.73 | S | S | * | * | -165.7 | 139.6 | 63.3 | 58.5 | 0 | 0 | 0 | 0 | 118 | |||||
| 1294 | K | 31.6 | Very low | 34.5 | Very low | 212 Ų | 212 | 125.5 Ų | 125.5 | 92% | 0.922 | 71% | 0.71 | S | S | * | * | trans | 0 | 125.5 | 154.2 | -60.6 | 175.8 | 179.1 | 178 | 0 | 119.1 | ||||
| 1295 | A | 32 | Very low | 36.2 | Very low | 103 Ų | 103 | 121 Ų | 121 | 85% | 0.851 | 69% | 0.688 | S | S | * | * | trans | -146 | 140 | 138.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1296 | S | 27.4 | Very low | 38.1 | Very low | 107 Ų | 107 | 115.8 Ų | 115.8 | 75% | 0.748 | 66% | 0.656 | S | S | * | * | trans | -84.1 | -179.1 | 169.1 | 60.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1297 | T | 30.1 | Very low | 40.5 | Very low | 110 Ų | 110 | 112.2 Ų | 112.2 | 68% | 0.675 | 63% | 0.631 | S | S | * | * | cis | -156.7 | 170.6 | 22 | -29.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1298 | E | 30.3 | Very low | 42.8 | Very low | 183 Ų | 183 | 105.9 Ų | 105.9 | 86% | 0.855 | 60% | 0.598 | S | S | * | * | trans | 54.6 | 92.3 | 158.5 | -72.8 | 166.7 | 172.9 | 0 | 0 | 118.5 | ||||
| 1299 | K | 32.6 | Very low | 45.6 | Very low | 212 Ų | 212 | 100.9 Ų | 100.9 | 92% | 0.922 | 56% | 0.563 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 120.5 | 141 | -74.9 | -172.8 | 176.5 | -177 | 0 | 107.7 | ||
| 1300 | S | 34.4 | Very low | 48.4 | Very low | 108 Ų | 108 | 95 Ų | 95 | 76% | 0.755 | 53% | 0.528 | S | S | * | . | P | Polyproline II helix | trans | -65 | 136.5 | 176.5 | 43.2 | 0 | 0 | 0 | 0 | 111.3 | K1302 | S1300-K1302 PolarHBondContact O-N 3.03Š|
| 1301 | K | 43.2 | Very low | 51.3 | Low | 181 Ų | 181 | 90.8 Ų | 90.8 | 79% | 0.787 | 49% | 0.493 | S | S | * | . | P | Polyproline II helix | trans | -67.4 | 118.3 | 167 | -70 | -175.3 | 177.5 | -176.8 | 0 | 108.1 | ||
| 1302 | K | 48.9 | Very low | 53.9 | Low | 88 Ų | 88 | 86 Ų | 86 | 38% | 0.383 | 46% | 0.462 | S | S | . | . | P | Polyproline II helix | trans | -79.6 | 121.3 | 166.7 | -82.5 | -170.4 | 157.7 | -137.2 | 0 | 108.6 | C1198 D1201 S1300 Y1304 | C1198-K1302 PolarHBondContact SG-NZ 3.14Å; D1201-K1302 IonicContact OD1-NZ 2.71Å; D1201-K1302 IonicContact OD2-NZ 3.52Å; D1201-K1302 PolarHBondContact OD2-NZ 2.98Å; S1300-K1302 PolarHBondContact O-N 3.03Å; K1302-Y1304 HydrophobicContact CB-CE2 3.79Å; K1302-Y1304 WeakPolarHBondContact O-CD2 3.2Å; K1302-Y1304 WeakPolarHBondContact O-CE2 3.15Å |
| 1303 | E | 54.9 | Low | 56.4 | Low | 94 Ų | 94 | 80.8 Ų | 80.8 | 44% | 0.439 | 43% | 0.429 | S | S | . | . | P | Polyproline II helix | trans | -88.4 | 130.1 | 174.6 | -162.5 | -177.5 | 139.1 | 0 | 0 | 110 | Q1199 | Q1199-E1303 PolarHBondContact N-O 3.12Å; Q1199-E1303 VanDerWaalsContact N-O 3.15Å; Q1199-E1303 PolarHBondContact NE2-OE1 3.3Å |
| 1304 | Y | 56.6 | Low | 58.3 | Low | 36 Ų | 36 | 76.6 Ų | 76.6 | 14% | 0.141 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 138.8 | -178.2 | -66.1 | -87.2 | 0 | 0 | 0 | 111.3 | K1196 V1197 C1198 T1213 A1214 K1302 | K1196-Y1304 HydrophobicContact CD-CD1 4.37Å; K1196-Y1304 HydrophobicContact CD-CE1 4.48Å; K1196-Y1304 HydrophobicContact CG-CD1 3.86Å; K1196-Y1304 HydrophobicContact CG-CE1 4.38Å; V1197-Y1304 WeakPolarHBondContact O-CA 3.18Å; C1198-Y1304 HydrophobicContact CB-CD1 4.04Å; C1198-Y1304 HydrophobicContact CB-CE1 3.81Å; T1213-Y1304 WeakPolarHBondContact CA-O 3.29Å; A1214-Y1304 PolarHBondContact N-O 3.2Å; A1214-Y1304 PolarHBondContact O-N 3.08Å; K1302-Y1304 HydrophobicContact CB-CE2 3.79Å; K1302-Y1304 WeakPolarHBondContact O-CD2 3.2Å; K1302-Y1304 WeakPolarHBondContact O-CE2 3.15Å |
| 1305 | K | 66.9 | Low | 59.8 | Low | 72 Ų | 72 | 70.3 Ų | 70.3 | 31% | 0.313 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 128.4 | 167.7 | -72.2 | -178.4 | 173 | 176.8 | 0 | 108.7 | V1197 Q1199 V1211 T1213 | V1197-K1305 HydrophobicContact CB-CB 4.43Å; V1197-K1305 WeakPolarHBondContact CB-O 3.49Å; V1197-K1305 PolarHBondContact N-O 2.83Å; V1197-K1305 PolarHBondContact O-N 2.99Å; Q1199-K1305 HydrophobicContact CG-CD 4.13Å; Q1199-K1305 HydrophobicContact CG-CG 4.03Å; V1211-K1305 HydrophobicContact CG1-CB 3.85Å; V1211-K1305 HydrophobicContact CG1-CD 3.85Å; V1211-K1305 HydrophobicContact CG1-CG 3.64Å; T1213-K1305 HydrophobicContact CG2-CG 4.38Å |
| 1306 | L | 70 | Confident | 60.9 | Low | 11 Ų | 11 | 70.7 Ų | 70.7 | 6% | 0.058 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 136.6 | 170.5 | -65.1 | 178.9 | 0 | 0 | 0 | 109.5 | I1194 W1195 K1196 V1211 I1212 L1220 V1224 | I1194-L1306 HydrophobicContact CG2-CB 3.75Å; I1194-L1306 HydrophobicContact CG2-CD1 4.46Å; I1194-L1306 HydrophobicContact CG2-CD2 3.89Å; I1194-L1306 HydrophobicContact CG2-CG 4.25Å; W1195-L1306 WeakPolarHBondContact O-CA 3.33Å; K1196-L1306 HydrophobicContact CB-CD2 4.18Å; K1196-L1306 HydrophobicContact CG-CD2 4.43Å; V1211-L1306 WeakPolarHBondContact CA-O 3.36Å; I1212-L1306 HydrophobicContact CB-CB 4.18Å; I1212-L1306 HydrophobicContact CB-CD1 4.49Å; I1212-L1306 PolarHBondContact N-O 3.01Å; I1212-L1306 PolarHBondContact O-N 3.37Å; L1220-L1306 HydrophobicContact CD1-CD1 4.03Å; L1220-L1306 HydrophobicContact CD1-CD2 3.97Å; L1220-L1306 HydrophobicContact CD1-CG 4.1Å; V1224-L1306 HydrophobicContact CG2-CD1 4.3Å |
| 1307 | L | 78 | Confident | 62 | Low | 3 Ų | 3 | 72 Ų | 72 | 2% | 0.016 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 123.6 | -177.5 | -171.7 | 72.1 | 0 | 0 | 0 | 111.3 | I1194 W1195 L1205 I1208 V1211 V1309 L1345 | I1194-L1307 CarbonylContact C-O 3.45Å; I1194-L1307 VanDerWaalsContact CA-O 3.3Å; I1194-L1307 WeakPolarHBondContact CA-O 3.03Å; W1195-L1307 HydrophobicContact CE3-CD2 4.09Å; W1195-L1307 PolarHBondContact N-O 2.74Å; W1195-L1307 PolarHBondContact O-N 3.21Å; L1205-L1307 HydrophobicContact CD2-CD2 4.41Å; I1208-L1307 HydrophobicContact CB-CD1 3.89Å; I1208-L1307 HydrophobicContact CD1-CD1 4.19Å; I1208-L1307 HydrophobicContact CD1-CD2 4.02Å; I1208-L1307 HydrophobicContact CG2-CD1 3.78Å; V1211-L1307 HydrophobicContact CG2-CD1 4.39Å; L1307-V1309 HydrophobicContact CB-CG1 4.39Å; L1307-V1309 HydrophobicContact CD2-CG1 3.89Å; L1307-V1309 HydrophobicContact CG-CG1 4.05Å; L1307-V1309 PolarHBondContact O-N 3.37Å; L1307-L1345 HydrophobicContact CD2-CD1 3.73Å |
| 1308 | C | 79.2 | Confident | 62.8 | Low | 13 Ų | 13 | 73.7 Ų | 73.7 | 9% | 0.088 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 117 | 172.1 | -59.8 | 0 | 0 | 0 | 0 | 109.6 | C1230 Y1360 | C1230-C1308 HydrophobicContact CB-CB 4.22Å; C1230-C1308 WeakPolarHBondContact CB-SG 3.48Å; C1230-C1308 WeakPolarHBondContact SG-CB 3.32Å; C1230-C1308 CovalentContact SG-SG 2.07Å; C1230-C1308 PolarHBondContact SG-SG 2.95Å; C1308-Y1360 PolarHBondContact O-N 2.88Å |
| 1309 | V | 88.1 | Confident | 63.5 | Low | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 154.5 | -173.6 | -69.5 | 0 | 0 | 0 | 0 | 112.6 | L1173 G1193 W1195 L1307 V1311 L1345 V1357 S1358 | L1173-V1309 HydrophobicContact CD2-CG2 4.27Å; G1193-V1309 PolarHBondContact N-O 2.98Å; G1193-V1309 PolarHBondContact O-N 3.22Å; W1195-V1309 HydrophobicContact CB-CG1 4.06Å; W1195-V1309 HydrophobicContact CB-CG2 4.14Å; L1307-V1309 HydrophobicContact CB-CG1 4.39Å; L1307-V1309 HydrophobicContact CD2-CG1 3.89Å; L1307-V1309 HydrophobicContact CG-CG1 4.05Å; L1307-V1309 PolarHBondContact O-N 3.37Å; V1309-V1311 HydrophobicContact CG2-CG2 3.85Å; V1309-L1345 HydrophobicContact CG1-CD1 3.93Å; V1309-V1357 HydrophobicContact CB-CG1 3.76Å; V1309-V1357 HydrophobicContact CG1-CG1 3.83Å; V1309-V1357 HydrophobicContact CG2-CG1 4.04Å; V1309-S1358 WeakPolarHBondContact CA-O 3.39Å; V1309-S1358 WeakPolarHBondContact CB-O 3.4Å |
| 1310 | A | 88.8 | Confident | 64 | Low | 10 Ų | 10 | 61.3 Ų | 61.3 | 8% | 0.083 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 130.8 | 166.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | V1190 Y1191 V1357 S1358 Y1360 | V1190-A1310 HydrophobicContact CG1-CB 4.03Å; Y1191-A1310 WeakPolarHBondContact O-CA 3.49Å; A1310-V1357 WeakPolarHBondContact O-CA 3.13Å; A1310-S1358 PolarHBondContact N-O 2.94Å; A1310-S1358 PolarHBondContact O-N 2.85Å; A1310-Y1360 HydrophobicContact CB-CD2 4.46Å |
| 1311 | V | 88.5 | Confident | 64.8 | Low | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 106.4 | -172.1 | -173.1 | 0 | 0 | 0 | 0 | 109.7 | L1173 L1175 V1190 Y1191 V1309 I1313 C1355 L1356 V1357 | L1173-V1311 HydrophobicContact CD2-CG2 4.37Å; L1175-V1311 HydrophobicContact CD2-CB 3.7Å; L1175-V1311 HydrophobicContact CD2-CG1 4.02Å; L1175-V1311 HydrophobicContact CD2-CG2 3.74Å; V1190-V1311 CarbonylContact C-O 3.52Å; V1190-V1311 WeakPolarHBondContact CA-O 3.35Å; Y1191-V1311 PolarHBondContact N-O 3.03Å; Y1191-V1311 PolarHBondContact O-N 3.18Å; V1309-V1311 HydrophobicContact CG2-CG2 3.85Å; V1311-I1313 HydrophobicContact CG1-CG1 4.1Å; V1311-I1313 PolarHBondContact O-N 3.46Å; V1311-C1355 HydrophobicContact CG1-CB 3.63Å; V1311-L1356 CarbonylContact C-O 3.08Å; V1311-L1356 WeakPolarHBondContact CA-O 3.38Å; V1311-V1357 HydrophobicContact CG1-CG2 4.42Å; V1311-V1357 HydrophobicContact CG2-CG2 4.45Å |
| 1312 | K | 87.1 | Confident | 65.7 | Low | 27 Ų | 27 | 51.2 Ų | 51.2 | 12% | 0.117 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 99.3 | 179 | -171.3 | -174.8 | -160.6 | -172.6 | 0 | 109.2 | V1190 E1329 C1355 L1356 D1423 | V1190-K1312 HydrophobicContact CG2-CB 4.12Å; V1190-K1312 HydrophobicContact CG2-CG 4Å; K1312-E1329 IonicContact NZ-OE1 2.93Å; K1312-E1329 PolarHBondContact NZ-OE1 3.29Å; K1312-E1329 IonicContact NZ-OE2 2.67Å; K1312-E1329 PolarHBondContact NZ-OE2 3.23Å; K1312-C1355 VanDerWaalsContact O-CA 3.25Å; K1312-C1355 WeakPolarHBondContact O-CA 3.33Å; K1312-L1356 HydrophobicContact CB-CB 4.26Å; K1312-L1356 HydrophobicContact CD-CD1 4.31Å; K1312-L1356 PolarHBondContact N-O 2.81Å; K1312-L1356 PolarHBondContact O-N 2.03Å; K1312-D1423 IonicContact NZ-OD1 2.82Å; K1312-D1423 PolarHBondContact NZ-OD1 3.04Å |
| 1313 | I | 83.4 | Confident | 66.5 | Low | 18 Ų | 18 | 49.9 Ų | 49.9 | 9% | 0.092 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 128.6 | -178.9 | -46.1 | -177.8 | 0 | 0 | 0 | 109.4 | L1175 G1188 A1189 Y1191 V1311 | L1175-I1313 HydrophobicContact CD1-CD1 3.85Å; G1188-I1313 CarbonylContact C-O 3.48Å; G1188-I1313 WeakPolarHBondContact CA-O 3.47Å; A1189-I1313 PolarHBondContact N-O 3.4Å; A1189-I1313 PolarHBondContact O-N 3.26Å; Y1191-I1313 HydrophobicContact CD2-CD1 3.5Å; Y1191-I1313 HydrophobicContact CD2-CG1 3.87Å; Y1191-I1313 HydrophobicContact CE2-CD1 3.77Å; Y1191-I1313 HydrophobicContact CE2-CG1 4.25Å; Y1191-I1313 HydrophobicContact CG-CD1 4.4Å; V1311-I1313 HydrophobicContact CG1-CG1 4.1Å; V1311-I1313 PolarHBondContact O-N 3.46Å |
| 1314 | L | 72.3 | Confident | 67.2 | Low | 20 Ų | 20 | 50.4 Ų | 50.4 | 11% | 0.105 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.7 | 148 | 174.2 | -73.3 | -176.8 | 0 | 0 | 0 | 112.8 | F1187 E1316 D1322 L1326 K1354 | F1187-L1314 HydrophobicContact CB-CD2 4.48Å; F1187-L1314 WeakPolarHBondContact O-CA 3.43Å; F1187-L1314 WeakPolarHBondContact O-CD2 3.27Å; L1314-E1316 PolarHBondContact O-N 3.06Å; L1314-D1322 HydrophobicContact CD1-CB 4.45Å; L1314-D1322 VanDerWaalsContact CD1-O 3.25Å; L1314-D1322 WeakPolarHBondContact CD1-O 2.92Å; L1314-L1326 HydrophobicContact CD1-CB 3.95Å; L1314-L1326 HydrophobicContact CD1-CD1 4.48Å; L1314-L1326 HydrophobicContact CD1-CD2 3.92Å; L1314-L1326 HydrophobicContact CD1-CG 4.36Å; L1314-L1326 HydrophobicContact CD2-CB 4.22Å; L1314-L1326 HydrophobicContact CD2-CD1 4.06Å; L1314-L1326 HydrophobicContact CG-CB 4.31Å; L1314-L1326 HydrophobicContact CG-CD1 4.03Å; L1314-L1326 HydrophobicContact CG-CD2 4.22Å; L1314-L1326 HydrophobicContact CG-CG 4.44Å; L1314-K1354 HydrophobicContact CB-CB 4.46Å; L1314-K1354 HydrophobicContact CD1-CB 3.88Å; L1314-K1354 HydrophobicContact CD1-CD 4.09Å; L1314-K1354 HydrophobicContact CG-CB 4.28Å; L1314-K1354 PolarHBondContact N-O 3.24Å |
| 1315 | N | 63 | Low | 67.8 | Low | 81 Ų | 81 | 50 Ų | 50 | 43% | 0.433 | 28% | 0.278 | S | S | . | . | trans | -77.8 | 113.4 | 162.4 | -75.2 | -43.5 | 0 | 0 | 0 | 109.8 | F1187 V1317 | F1187-N1315 PolarHBondContact O-N 2.93Å; F1187-N1315 VanDerWaalsContact O-N 3.09Å; N1315-V1317 PolarHBondContact O-N 3.04Å | ||
| 1316 | E | 54.3 | Low | 68.1 | Low | 111 Ų | 111 | 46.8 Ų | 46.8 | 52% | 0.519 | 26% | 0.264 | S | S | . | . | G | 310 helix | trans | -68.4 | -4.1 | -171.7 | -54 | -157.3 | 108.7 | 0 | 0 | 115.6 | L1314 R1318 | L1314-E1316 PolarHBondContact O-N 3.06Å; E1316-R1318 PolarHBondContact O-N 2.9Å |
| 1317 | V | 50.7 | Low | 68.5 | Low | 134 Ų | 134 | 49.1 Ų | 49.1 | 81% | 0.812 | 28% | 0.276 | S | S | * | . | G | 310 helix | trans | -69.1 | -3.1 | -165.2 | -168.9 | 0 | 0 | 0 | 0 | 114.6 | N1315 | N1315-V1317 PolarHBondContact O-N 3.04Š|
| 1318 | R | 47.5 | Very low | 68.4 | Low | 145 Ų | 145 | 52 Ų | 52 | 55% | 0.547 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -131.2 | 0.5 | -167.7 | -68.5 | -178.6 | 172.7 | -145.6 | -10.6 | 116.9 | E1316 S1321 D1322 | E1316-R1318 PolarHBondContact O-N 2.9Å; R1318-S1321 PolarHBondContact O-OG 2.88Å; R1318-D1322 WeakPolarHBondContact CB-OD1 2.96Å; R1318-D1322 WeakPolarHBondContact CB-OD2 3.41Å |
| 1319 | G | 44.7 | Very low | 68.4 | Low | 49 Ų | 49 | 51.8 Ų | 51.8 | 51% | 0.505 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.3 | -142.7 | 171 | 0 | 0 | 0 | 0 | 0 | 115 | S1321 D1322 | G1319-S1321 PolarHBondContact O-N 3.3Å; G1319-D1322 PolarHBondContact O-N 3.12Å |
| 1320 | S | 42.6 | Very low | 68.2 | Low | 87 Ų | 87 | 51.9 Ų | 51.9 | 61% | 0.608 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -69.2 | -26.1 | -164.1 | 53.1 | 0 | 0 | 0 | 0 | 115.7 | D1322 L1323 Q1324 | S1320-D1322 PolarHBondContact O-N 3.26Å; S1320-L1323 PolarHBondContact O-N 2.87Å; S1320-Q1324 PolarHBondContact O-N 3.3Å |
| 1321 | S | 52.8 | Low | 67.9 | Low | 56 Ų | 56 | 53.6 Ų | 53.6 | 39% | 0.392 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60 | -36.7 | 177.1 | 42.8 | 0 | 0 | 0 | 0 | 112.6 | R1318 G1319 Q1324 A1325 | R1318-S1321 PolarHBondContact O-OG 2.88Å; G1319-S1321 PolarHBondContact O-N 3.3Å; S1321-Q1324 PolarHBondContact O-N 3.1Å; S1321-A1325 PolarHBondContact O-N 2.83Å |
| 1322 | D | 61.3 | Low | 67.6 | Low | 20 Ų | 20 | 53.8 Ų | 53.8 | 11% | 0.107 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -82.8 | -23.1 | -171.3 | -63.9 | 43.9 | 0 | 0 | 0 | 110.4 | L1314 R1318 G1319 S1320 L1326 | L1314-D1322 HydrophobicContact CD1-CB 4.45Å; L1314-D1322 VanDerWaalsContact CD1-O 3.25Å; L1314-D1322 WeakPolarHBondContact CD1-O 2.92Å; R1318-D1322 WeakPolarHBondContact CB-OD1 2.96Å; R1318-D1322 WeakPolarHBondContact CB-OD2 3.41Å; G1319-D1322 PolarHBondContact O-N 3.12Å; S1320-D1322 PolarHBondContact O-N 3.26Å; D1322-L1326 WeakPolarHBondContact O-CB 3.47Å; D1322-L1326 PolarHBondContact O-N 2.59Å; D1322-L1326 VanDerWaalsContact O-N 3.12Å |
| 1323 | L | 66.5 | Low | 67.5 | Low | 61 Ų | 61 | 52.9 Ų | 52.9 | 32% | 0.319 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -70.9 | -40.8 | 166.3 | 177.7 | 60.7 | 0 | 0 | 0 | 111.8 | S1320 L1326 L1327 L1349 K1354 | S1320-L1323 PolarHBondContact O-N 2.87Å; L1323-L1326 HydrophobicContact CD1-CD2 4.3Å; L1323-L1326 WeakPolarHBondContact O-CB 3.22Å; L1323-L1326 PolarHBondContact O-N 3.28Å; L1323-L1327 HydrophobicContact CD1-CD1 4.24Å; L1323-L1327 HydrophobicContact CD1-CG 4.26Å; L1323-L1327 HydrophobicContact CG-CD1 4.19Å; L1323-L1327 WeakPolarHBondContact O-CG 3.26Å; L1323-L1327 PolarHBondContact O-N 2.98Å; L1323-L1349 HydrophobicContact CD1-CD2 4.16Å; L1323-K1354 HydrophobicContact CD1-CD 4.29Å |
| 1324 | Q | 69.4 | Low | 67.4 | Low | 105 Ų | 105 | 54.3 Ų | 54.3 | 49% | 0.491 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -63.2 | -46.4 | 175.1 | -173 | 61 | 47.2 | 0 | 0 | 110.6 | S1320 S1321 L1326 L1327 D1328 | S1320-Q1324 PolarHBondContact O-N 3.3Å; S1321-Q1324 PolarHBondContact O-N 3.1Å; Q1324-L1326 VanDerWaalsContact C-N 3.26Å; Q1324-L1326 PolarHBondContact O-N 2.97Å; Q1324-L1327 PolarHBondContact O-N 3.32Å; Q1324-D1328 PolarHBondContact NE2-OD1 2.83Å; Q1324-D1328 VanDerWaalsContact O-CG 3.22Å; Q1324-D1328 PolarHBondContact O-N 2.86Å |
| 1325 | A | 68.4 | Low | 67.9 | Low | 28 Ų | 28 | 54.4 Ų | 54.4 | 23% | 0.231 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -57.7 | -36.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | S1321 E1329 | S1321-A1325 PolarHBondContact O-N 2.83Å; A1325-E1329 WeakPolarHBondContact O-CB 3.33Å; A1325-E1329 PolarHBondContact O-N 3.39Å |
| 1326 | L | 73 | Confident | 68.7 | Low | 3 Ų | 3 | 51 Ų | 51 | 2% | 0.016 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -66.4 | -41.9 | 173.2 | -176.4 | 77.4 | 0 | 0 | 0 | 112.8 | L1314 D1322 L1323 Q1324 E1329 A1330 L1349 K1354 L1356 | L1314-L1326 HydrophobicContact CD1-CB 3.95Å; L1314-L1326 HydrophobicContact CD1-CD1 4.48Å; L1314-L1326 HydrophobicContact CD1-CD2 3.92Å; L1314-L1326 HydrophobicContact CD1-CG 4.36Å; L1314-L1326 HydrophobicContact CD2-CB 4.22Å; L1314-L1326 HydrophobicContact CD2-CD1 4.06Å; L1314-L1326 HydrophobicContact CG-CB 4.31Å; L1314-L1326 HydrophobicContact CG-CD1 4.03Å; L1314-L1326 HydrophobicContact CG-CD2 4.22Å; L1314-L1326 HydrophobicContact CG-CG 4.44Å; D1322-L1326 WeakPolarHBondContact O-CB 3.47Å; D1322-L1326 PolarHBondContact O-N 2.59Å; D1322-L1326 VanDerWaalsContact O-N 3.12Å; L1323-L1326 HydrophobicContact CD1-CD2 4.3Å; L1323-L1326 WeakPolarHBondContact O-CB 3.22Å; L1323-L1326 PolarHBondContact O-N 3.28Å; Q1324-L1326 VanDerWaalsContact C-N 3.26Å; Q1324-L1326 PolarHBondContact O-N 2.97Å; L1326-E1329 PolarHBondContact O-N 2.73Å; L1326-A1330 VanDerWaalsContact O-CB 3.27Å; L1326-A1330 WeakPolarHBondContact O-CB 3.4Å; L1326-A1330 PolarHBondContact O-N 3.41Å; L1326-L1349 HydrophobicContact CD2-CD2 3.98Å; L1326-K1354 HydrophobicContact CD2-CB 3.81Å; L1326-L1356 HydrophobicContact CD1-CD1 4.22Å; L1326-L1356 HydrophobicContact CD1-CD2 3.48Å; L1326-L1356 VanDerWaalsContact CD1-CD2 3.48Å; L1326-L1356 HydrophobicContact CD1-CG 3.51Å; L1326-L1356 HydrophobicContact CG-CD2 3.9Å; L1326-L1356 HydrophobicContact CG-CG 4.46Å |
| 1327 | L | 78.3 | Confident | 70.1 | Confident | 60 Ų | 60 | 50 Ų | 50 | 31% | 0.314 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -71.5 | -33.6 | 179.2 | -68 | 172.9 | 0 | 0 | 0 | 111.5 | L1323 Q1324 A1330 K1331 L1349 | L1323-L1327 HydrophobicContact CD1-CD1 4.24Å; L1323-L1327 HydrophobicContact CD1-CG 4.26Å; L1323-L1327 HydrophobicContact CG-CD1 4.19Å; L1323-L1327 WeakPolarHBondContact O-CG 3.26Å; L1323-L1327 PolarHBondContact O-N 2.98Å; Q1324-L1327 PolarHBondContact O-N 3.32Å; L1327-A1330 PolarHBondContact O-N 2.85Å; L1327-K1331 WeakPolarHBondContact O-CB 3.41Å; L1327-K1331 PolarHBondContact O-N 3.17Å; L1327-L1349 HydrophobicContact CD2-CD1 4.3Å |
| 1328 | D | 76.3 | Confident | 71.9 | Confident | 64 Ų | 64 | 45.8 Ų | 45.8 | 34% | 0.342 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -67.8 | -45.1 | 172.2 | -63.3 | -24.2 | 0 | 0 | 0 | 110.9 | Q1324 A1330 K1331 V1332 | Q1324-D1328 PolarHBondContact NE2-OD1 2.83Å; Q1324-D1328 VanDerWaalsContact O-CG 3.22Å; Q1324-D1328 PolarHBondContact O-N 2.86Å; D1328-A1330 PolarHBondContact O-N 2.89Å; D1328-K1331 WeakPolarHBondContact O-CB 3.2Å; D1328-K1331 PolarHBondContact O-N 3.45Å; D1328-V1332 WeakPolarHBondContact O-CG2 3.29Å; D1328-V1332 PolarHBondContact O-N 2.69Å |
| 1329 | E | 80.2 | Confident | 73.9 | Confident | 9 Ų | 9 | 46.2 Ų | 46.2 | 4% | 0.042 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.7 | -44.5 | 172.7 | -175.5 | 174.7 | -178.9 | 0 | 0 | 111.3 | K1312 A1325 L1326 K1331 V1332 M1333 L1356 F1424 G1425 | K1312-E1329 IonicContact NZ-OE1 2.93Å; K1312-E1329 PolarHBondContact NZ-OE1 3.29Å; K1312-E1329 IonicContact NZ-OE2 2.67Å; K1312-E1329 PolarHBondContact NZ-OE2 3.23Å; A1325-E1329 WeakPolarHBondContact O-CB 3.33Å; A1325-E1329 PolarHBondContact O-N 3.39Å; L1326-E1329 PolarHBondContact O-N 2.73Å; E1329-K1331 PolarHBondContact O-N 2.71Å; E1329-V1332 PolarHBondContact O-N 2.85Å; E1329-M1333 HydrophobicContact CG-CG 4.34Å; E1329-M1333 HydrophobicContact CG-SD 4.13Å; E1329-M1333 WeakPolarHBondContact O-CG 3.5Å; E1329-M1333 PolarHBondContact O-N 2.78Å; E1329-L1356 HydrophobicContact CB-CD1 4.15Å; E1329-L1356 HydrophobicContact CG-CD1 3.57Å; E1329-F1424 HydrophobicContact CG-CB 4.05Å; E1329-G1425 PolarHBondContact OE1-N 3.24Å; E1329-G1425 WeakPolarHBondContact OE2-CA 3.29Å |
| 1330 | A | 83.4 | Confident | 76.3 | Confident | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.008 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.3 | -40.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L1165 L1326 L1327 D1328 M1333 A1334 L1344 I1347 L1356 | L1165-A1330 HydrophobicContact CD2-CB 4.49Å; L1326-A1330 VanDerWaalsContact O-CB 3.27Å; L1326-A1330 WeakPolarHBondContact O-CB 3.4Å; L1326-A1330 PolarHBondContact O-N 3.41Å; L1327-A1330 PolarHBondContact O-N 2.85Å; D1328-A1330 PolarHBondContact O-N 2.89Å; A1330-M1333 PolarHBondContact O-N 2.88Å; A1330-A1334 WeakPolarHBondContact O-CB 3.41Å; A1330-A1334 PolarHBondContact O-N 3.33Å; A1330-L1344 HydrophobicContact CB-CD2 4.08Å; A1330-I1347 HydrophobicContact CB-CG2 4Å; A1330-L1356 HydrophobicContact CB-CD2 3.83Å |
| 1331 | K | 81.6 | Confident | 78.5 | Confident | 46 Ų | 46 | 40.8 Ų | 40.8 | 20% | 0.2 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.6 | -42.6 | 175.8 | 178.8 | -173.2 | -178 | -174.1 | 0 | 111.3 | P1160 L1327 D1328 E1329 S1335 E1431 | P1160-K1331 HydrophobicContact CG-CG 4.42Å; L1327-K1331 WeakPolarHBondContact O-CB 3.41Å; L1327-K1331 PolarHBondContact O-N 3.17Å; D1328-K1331 WeakPolarHBondContact O-CB 3.2Å; D1328-K1331 PolarHBondContact O-N 3.45Å; E1329-K1331 PolarHBondContact O-N 2.71Å; K1331-S1335 WeakPolarHBondContact O-CB 3.47Å; K1331-S1335 PolarHBondContact O-N 2.67Å; K1331-E1431 IonicContact NZ-OE1 2.7Å; K1331-E1431 PolarHBondContact NZ-OE1 2.85Å; K1331-E1431 IonicContact NZ-OE2 2.65Å; K1331-E1431 PolarHBondContact NZ-OE2 2.8Å |
| 1332 | V | 83.8 | Confident | 80.3 | Confident | 5 Ų | 5 | 38.3 Ų | 38.3 | 3% | 0.03 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.7 | -57.3 | 172.8 | 174.7 | 0 | 0 | 0 | 0 | 110 | D1328 E1329 A1334 S1335 V1336 I1401 F1424 A1427 | D1328-V1332 WeakPolarHBondContact O-CG2 3.29Å; D1328-V1332 PolarHBondContact O-N 2.69Å; E1329-V1332 PolarHBondContact O-N 2.85Å; V1332-A1334 VanDerWaalsContact C-N 3.3Å; V1332-A1334 PolarHBondContact O-N 3.04Å; V1332-S1335 WeakPolarHBondContact O-CB 3.44Å; V1332-S1335 PolarHBondContact O-N 2.93Å; V1332-S1335 PolarHBondContact O-OG 3.15Å; V1332-V1336 HydrophobicContact CG1-CG2 4.32Å; V1332-V1336 WeakPolarHBondContact O-CG2 3.5Å; V1332-V1336 PolarHBondContact O-N 2.93Å; V1332-V1336 VanDerWaalsContact O-N 3.13Å; V1332-I1401 HydrophobicContact CG1-CD1 4.35Å; V1332-I1401 HydrophobicContact CG1-CG2 3.84Å; V1332-F1424 HydrophobicContact CB-CB 4.42Å; V1332-F1424 HydrophobicContact CG1-CB 3.96Å; V1332-F1424 HydrophobicContact CG1-CD1 3.55Å; V1332-F1424 HydrophobicContact CG1-CE1 4.32Å; V1332-F1424 HydrophobicContact CG1-CG 3.96Å; V1332-A1427 HydrophobicContact CG1-CB 4.03Å; V1332-A1427 HydrophobicContact CG2-CB 4.43Å |
| 1333 | M | 84.8 | Confident | 81.2 | Confident | 7 Ų | 7 | 40 Ų | 40 | 3% | 0.034 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.1 | -31.6 | -176.4 | -66.2 | -174.9 | 68.2 | 0 | 0 | 114 | E1329 A1330 S1335 V1336 L1344 L1356 F1424 | E1329-M1333 HydrophobicContact CG-CG 4.34Å; E1329-M1333 HydrophobicContact CG-SD 4.13Å; E1329-M1333 WeakPolarHBondContact O-CG 3.5Å; E1329-M1333 PolarHBondContact O-N 2.78Å; A1330-M1333 PolarHBondContact O-N 2.88Å; M1333-S1335 VanDerWaalsContact C-N 3.34Å; M1333-V1336 PolarHBondContact O-N 2.94Å; M1333-L1344 HydrophobicContact CB-CB 3.82Å; M1333-L1344 HydrophobicContact CB-CD2 4.45Å; M1333-L1344 HydrophobicContact CE-CB 4.42Å; M1333-L1344 HydrophobicContact CE-CD1 4.37Å; M1333-L1344 HydrophobicContact SD-CD1 4.38Å; M1333-L1356 HydrophobicContact SD-CD1 3.89Å; M1333-F1424 HydrophobicContact CG-CB 3.93Å; M1333-F1424 HydrophobicContact CG-CD2 3.5Å; M1333-F1424 HydrophobicContact CG-CE2 4.31Å; M1333-F1424 HydrophobicContact CG-CG 3.96Å; M1333-F1424 HydrophobicContact SD-CD2 4.22Å |
| 1334 | A | 81.6 | Confident | 82.1 | Confident | 49 Ų | 49 | 38.3 Ų | 38.3 | 41% | 0.405 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -76.1 | -20.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | L1165 A1330 V1332 L1344 | L1165-A1334 HydrophobicContact CD2-CB 3.87Å; A1330-A1334 WeakPolarHBondContact O-CB 3.41Å; A1330-A1334 PolarHBondContact O-N 3.33Å; V1332-A1334 VanDerWaalsContact C-N 3.3Å; V1332-A1334 PolarHBondContact O-N 3.04Å; A1334-L1344 HydrophobicContact CB-CD2 4.27Å |
| 1335 | S | 81.3 | Confident | 82.8 | Confident | 22 Ų | 22 | 34.4 Ų | 34.4 | 15% | 0.154 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -84.7 | -21.8 | 172.5 | 77.4 | 0 | 0 | 0 | 0 | 113.2 | K1331 V1332 M1333 M1429 | K1331-S1335 WeakPolarHBondContact O-CB 3.47Å; K1331-S1335 PolarHBondContact O-N 2.67Å; V1332-S1335 WeakPolarHBondContact O-CB 3.44Å; V1332-S1335 PolarHBondContact O-N 2.93Å; V1332-S1335 PolarHBondContact O-OG 3.15Å; M1333-S1335 VanDerWaalsContact C-N 3.34Å; S1335-M1429 WeakPolarHBondContact OG-CE 3.41Å |
| 1336 | V | 81.2 | Confident | 83.6 | Confident | 8 Ų | 8 | 33.1 Ų | 33.1 | 5% | 0.048 | 18% | 0.181 | C | C | . | . | trans | -83.3 | 123.1 | -177.5 | 169.9 | 0 | 0 | 0 | 0 | 110.6 | V1332 M1333 C1341 Y1395 L1396 I1401 F1424 | V1332-V1336 HydrophobicContact CG1-CG2 4.32Å; V1332-V1336 WeakPolarHBondContact O-CG2 3.5Å; V1332-V1336 PolarHBondContact O-N 2.93Å; V1332-V1336 VanDerWaalsContact O-N 3.13Å; M1333-V1336 PolarHBondContact O-N 2.94Å; V1336-C1341 HydrophobicContact CG1-CB 3.36Å; V1336-Y1395 HydrophobicContact CG1-CE1 4.24Å; V1336-L1396 HydrophobicContact CG1-CD2 4.44Å; V1336-L1396 HydrophobicContact CG2-CD2 3.6Å; V1336-I1401 HydrophobicContact CG2-CD1 3.74Å; V1336-F1424 HydrophobicContact CG1-CZ 4.26Å; V1336-F1424 HydrophobicContact CG2-CE1 4.26Å; V1336-F1424 HydrophobicContact CG2-CZ 4.4Å | ||
| 1337 | S | 82 | Confident | 84.3 | Confident | 91 Ų | 91 | 33.2 Ų | 33.2 | 64% | 0.636 | 18% | 0.181 | S | C | * | . | trans | -145.9 | 79.5 | -179.1 | 169.3 | 0 | 0 | 0 | 0 | 108 | Y1395 | S1337-Y1395 PolarHBondContact N-OH 3.21Å; S1337-Y1395 WeakPolarHBondContact O-CE2 3.45Å; S1337-Y1395 PolarHBondContact O-OH 3.17Å | ||
| 1338 | H | 89 | Confident | 84.7 | Confident | 46 Ų | 46 | 30.4 Ų | 30.4 | 21% | 0.213 | 17% | 0.167 | C | C | . | . | trans | -140 | 152 | -179.6 | -164.4 | -117.6 | 0 | 0 | 0 | 110.5 | H1340 C1341 D1391 Y1395 | H1338-H1340 PolarHBondContact O-N 3.24Å; H1338-C1341 HydrophobicContact CB-CB 4.16Å; H1338-C1341 PolarHBondContact O-N 3.38Å; H1338-D1391 IonicContact CE1-OD2 2.83Å; H1338-D1391 PolarHBondContact CE1-OD2 3.26Å; H1338-D1391 VanDerWaalsContact CE1-OD2 3.27Å; H1338-D1391 IonicContact NE2-OD2 3.77Å; H1338-Y1395 HydrophobicContact CB-CD1 3.62Å; H1338-Y1395 HydrophobicContact CB-CD2 3.77Å; H1338-Y1395 HydrophobicContact CB-CE1 3.84Å; H1338-Y1395 HydrophobicContact CB-CE2 3.94Å; H1338-Y1395 HydrophobicContact CB-CG 3.59Å; H1338-Y1395 AromaticContact CD2-CD2 3.32Å; H1338-Y1395 WeakPolarHBondContact CD2-CD2 3.41Å; H1338-Y1395 AromaticContact CD2-CG 3.6Å; H1338-Y1395 AromaticContact CG-CD2 3.65Å; H1338-Y1395 AromaticContact CG-CG 3.49Å; H1338-Y1395 VanDerWaalsContact CG-CG 3.49Å | ||
| 1339 | Y | 89.7 | Confident | 85 | Confident | 154 Ų | 154 | 30.7 Ų | 30.7 | 60% | 0.604 | 17% | 0.168 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61 | -46.6 | -178.3 | -171.5 | -127.4 | 0 | 0 | 0 | 111 | C1341 H1418 Q1420 | Y1339-C1341 VanDerWaalsContact C-N 3.29Å; Y1339-C1341 PolarHBondContact O-N 3.46Å; Y1339-H1418 AromaticContact CD1-CE1 3.4Å; Y1339-H1418 WeakPolarHBondContact CD1-CE1 3.39Å; Y1339-H1418 AromaticContact CD1-ND1 3.81Å; Y1339-H1418 AromaticContact CD2-CE1 3.84Å; Y1339-H1418 AromaticContact CD2-NE2 3.72Å; Y1339-H1418 AromaticContact CE1-CE1 3.35Å; Y1339-H1418 WeakPolarHBondContact CE1-CE1 3.25Å; Y1339-H1418 AromaticContact CE1-CG 3.91Å; Y1339-H1418 AromaticContact CE1-ND1 3.39Å; Y1339-H1418 WeakPolarHBondContact CE1-ND1 3.39Å; Y1339-H1418 AromaticContact CE1-NE2 3.85Å; Y1339-H1418 AromaticContact CE2-CD2 3.91Å; Y1339-H1418 AromaticContact CE2-CE1 3.8Å; Y1339-H1418 AromaticContact CE2-NE2 3.47Å; Y1339-H1418 WeakPolarHBondContact CE2-NE2 3.46Å; Y1339-H1418 AromaticContact CG-CE1 3.64Å; Y1339-H1418 AromaticContact CZ-CD2 3.65Å; Y1339-H1418 AromaticContact CZ-CE1 3.55Å; Y1339-H1418 AromaticContact CZ-CG 3.79Å; Y1339-H1418 AromaticContact CZ-ND1 3.71Å; Y1339-H1418 AromaticContact CZ-NE2 3.53Å; Y1339-H1418 PolarHBondContact O-CE1 2.77Å; Y1339-H1418 PolarHBondContact O-NE2 3.4Å; Y1339-Q1420 PolarHBondContact O-NE2 3.3Å |
| 1340 | H | 94.3 | Very high | 84.7 | Confident | 20 Ų | 20 | 32 Ų | 32 | 9% | 0.093 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | 22.4 | -179.6 | -60.3 | -59.9 | 0 | 0 | 0 | 115.2 | H1338 Q1388 D1391 H1418 L1419 Q1420 I1421 | H1338-H1340 PolarHBondContact O-N 3.24Å; H1340-Q1388 VanDerWaalsContact CE1-CG 3.43Å; H1340-Q1388 WeakPolarHBondContact CE1-CG 3.09Å; H1340-Q1388 PolarHBondContact CE1-OE1 3.17Å; H1340-Q1388 PolarHBondContact ND1-OE1 3.05Å; H1340-Q1388 VanDerWaalsContact ND1-OE1 3.14Å; H1340-D1391 IonicContact CD2-OD2 3.31Å; H1340-H1418 AromaticContact CE1-CE1 3.71Å; H1340-H1418 AromaticContact CE1-ND1 3.42Å; H1340-H1418 PolarHBondContact CE1-ND1 3.09Å; H1340-H1418 AromaticContact ND1-CE1 3.36Å; H1340-H1418 PolarHBondContact ND1-CE1 3.06Å; H1340-H1418 AromaticContact ND1-ND1 3.33Å; H1340-H1418 PolarHBondContact ND1-ND1 3.22Å; H1340-L1419 WeakPolarHBondContact CA-O 3.42Å; H1340-L1419 PolarHBondContact ND1-O 2.73Å; H1340-Q1420 CarbonylContact O-C 3.16Å; H1340-Q1420 WeakPolarHBondContact O-CA 3.43Å; H1340-I1421 WeakPolarHBondContact O-CG1 3.43Å; H1340-I1421 PolarHBondContact O-N 3.1Å |
| 1341 | C | 90.7 | Very high | 83.8 | Confident | 2 Ų | 2 | 41.2 Ų | 41.2 | 1% | 0.014 | 22% | 0.22 | C | C | . | . | B | Isolated β-bridge | trans | -135.7 | 134.5 | 176.1 | -59.1 | 0 | 0 | 0 | 0 | 110.9 | V1336 H1338 Y1339 P1343 F1424 | V1336-C1341 HydrophobicContact CG1-CB 3.36Å; H1338-C1341 HydrophobicContact CB-CB 4.16Å; H1338-C1341 PolarHBondContact O-N 3.38Å; Y1339-C1341 VanDerWaalsContact C-N 3.29Å; Y1339-C1341 PolarHBondContact O-N 3.46Å; C1341-P1343 WeakPolarHBondContact O-CD 3.17Å; C1341-F1424 HydrophobicContact CB-CZ 4.38Å |
| 1342 | L | 88.7 | Confident | 83 | Confident | 4 Ų | 4 | 42.2 Ų | 42.2 | 2% | 0.021 | 23% | 0.233 | C | C | . | . | P | Polyproline II helix | trans | -71.8 | 119.5 | -176.3 | -173.5 | 75.5 | 0 | 0 | 0 | 111.6 | V1361 L1412 I1421 T1422 | L1342-V1361 HydrophobicContact CD1-CG2 3.95Å; L1342-L1412 HydrophobicContact CD1-CD1 4.35Å; L1342-L1412 HydrophobicContact CD2-CD1 3.85Å; L1342-I1421 PolarHBondContact N-O 2.89Å; L1342-T1422 VanDerWaalsContact CD2-OG1 3.26Å; L1342-T1422 WeakPolarHBondContact CD2-OG1 3.25Å |
| 1343 | P | 80.3 | Confident | 82.6 | Confident | 54 Ų | 54 | 45.4 Ų | 45.4 | 35% | 0.351 | 25% | 0.245 | S | C | . | . | P | Polyproline II helix | trans | -79.1 | 151.7 | 179.6 | 32.2 | -35.4 | 0 | 0 | 0 | 112.8 | C1341 | C1341-P1343 WeakPolarHBondContact O-CD 3.17Š|
| 1344 | L | 86.1 | Confident | 82.6 | Confident | 26 Ų | 26 | 47.7 Ų | 47.7 | 14% | 0.136 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 131.4 | 167.1 | -168.9 | 66.2 | 0 | 0 | 0 | 110.1 | L1165 A1330 M1333 A1334 G1346 I1347 L1356 | L1165-L1344 HydrophobicContact CD2-CD2 3.74Å; A1330-L1344 HydrophobicContact CB-CD2 4.08Å; M1333-L1344 HydrophobicContact CB-CB 3.82Å; M1333-L1344 HydrophobicContact CB-CD2 4.45Å; M1333-L1344 HydrophobicContact CE-CB 4.42Å; M1333-L1344 HydrophobicContact CE-CD1 4.37Å; M1333-L1344 HydrophobicContact SD-CD1 4.38Å; A1334-L1344 HydrophobicContact CB-CD2 4.27Å; L1344-G1346 WeakPolarHBondContact CD1-O 3.28Å; L1344-I1347 HydrophobicContact CD1-CG2 4.45Å; L1344-I1347 HydrophobicContact CD2-CG2 3.96Å; L1344-L1356 HydrophobicContact CD1-CB 3.88Å; L1344-L1356 HydrophobicContact CD1-CD2 4.29Å; L1344-L1356 HydrophobicContact CD1-CG 4.47Å |
| 1345 | L | 84.8 | Confident | 82.8 | Confident | 24 Ų | 24 | 45.4 Ų | 45.4 | 13% | 0.126 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | -33.8 | 171.1 | -62 | -178.6 | 0 | 0 | 0 | 111.9 | V1166 W1195 I1208 L1307 V1309 V1357 S1358 A1359 | V1166-L1345 WeakPolarHBondContact CB-O 3.36Å; V1166-L1345 WeakPolarHBondContact CG2-O 3.24Å; W1195-L1345 HydrophobicContact CZ3-CB 4.4Å; I1208-L1345 HydrophobicContact CD1-CD1 4.32Å; I1208-L1345 HydrophobicContact CD1-CD2 3.88Å; L1307-L1345 HydrophobicContact CD2-CD1 3.73Å; V1309-L1345 HydrophobicContact CG1-CD1 3.93Å; L1345-V1357 WeakPolarHBondContact CA-O 3.43Å; L1345-V1357 WeakPolarHBondContact CB-O 3.3Å; L1345-V1357 PolarHBondContact N-O 2.85Å; L1345-S1358 VanDerWaalsContact CD1-C 3.49Å; L1345-A1359 HydrophobicContact CD1-CB 4.37Å |
| 1346 | G | 84.6 | Confident | 83.1 | Confident | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.01 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 175.1 | -177.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | V1166 L1344 V1357 | V1166-G1346 CarbonylContact O-C 3.55Å; V1166-G1346 WeakPolarHBondContact O-CA 3.41Å; L1344-G1346 WeakPolarHBondContact CD1-O 3.28Å; G1346-V1357 PolarHBondContact N-O 3.46Å; G1346-V1357 PolarHBondContact O-N 3.03Å |
| 1347 | I | 88.5 | Confident | 83.5 | Confident | 5 Ų | 5 | 44.3 Ų | 44.3 | 3% | 0.026 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 144.7 | 178 | 64.1 | 179 | 0 | 0 | 0 | 111.2 | L1165 V1166 M1167 I1168 A1330 L1344 L1349 C1355 L1356 | L1165-I1347 HydrophobicContact CD1-CD1 4.25Å; L1165-I1347 HydrophobicContact CD2-CD1 4.46Å; L1165-I1347 HydrophobicContact CD2-CG2 4.43Å; V1166-I1347 PolarHBondContact O-N 2.94Å; M1167-I1347 HydrophobicContact CE-CG1 4.33Å; M1167-I1347 HydrophobicContact SD-CD1 3.86Å; M1167-I1347 HydrophobicContact SD-CG1 3.67Å; I1168-I1347 PolarHBondContact N-O 3.11Å; A1330-I1347 HydrophobicContact CB-CG2 4Å; L1344-I1347 HydrophobicContact CD1-CG2 4.45Å; L1344-I1347 HydrophobicContact CD2-CG2 3.96Å; I1347-L1349 HydrophobicContact CD1-CD1 3.93Å; I1347-L1349 HydrophobicContact CD1-CG 4.17Å; I1347-L1349 HydrophobicContact CG1-CG 4.42Å; I1347-C1355 WeakPolarHBondContact CA-O 3.45Å; I1347-L1356 HydrophobicContact CG2-CD2 3.72Å |
| 1348 | C | 86 | Confident | 83.8 | Confident | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.007 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 121.6 | 170.1 | -170.1 | 0 | 0 | 0 | 0 | 108.7 | I1168 L1173 K1354 C1355 | I1168-C1348 PolarHBondContact O-SG 3.48Å; L1173-C1348 HydrophobicContact CD1-CB 3.88Å; C1348-K1354 CarbonylContact O-C 3.54Å; C1348-K1354 WeakPolarHBondContact O-CA 3.45Å; C1348-C1355 HydrophobicContact CB-CB 4.06Å; C1348-C1355 PolarHBondContact N-O 2.73Å; C1348-C1355 PolarHBondContact O-N 3.33Å |
| 1349 | L | 82.6 | Confident | 83.4 | Confident | 70 Ų | 70 | 39.5 Ų | 39.5 | 37% | 0.366 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 57.8 | -179.2 | -61.2 | -179 | 0 | 0 | 0 | 110.4 | M1167 L1323 L1326 L1327 I1347 | M1167-L1349 HydrophobicContact CE-CB 4.07Å; M1167-L1349 HydrophobicContact CE-CD1 4.07Å; M1167-L1349 HydrophobicContact CE-CG 4.07Å; L1323-L1349 HydrophobicContact CD1-CD2 4.16Å; L1326-L1349 HydrophobicContact CD2-CD2 3.98Å; L1327-L1349 HydrophobicContact CD2-CD1 4.3Å; I1347-L1349 HydrophobicContact CD1-CD1 3.93Å; I1347-L1349 HydrophobicContact CD1-CG 4.17Å; I1347-L1349 HydrophobicContact CG1-CG 4.42Å |
| 1350 | S | 73.8 | Confident | 83.2 | Confident | 35 Ų | 35 | 34.3 Ų | 34.3 | 25% | 0.245 | 18% | 0.18 | C | C | . | . | trans | -75.5 | 158.8 | 174 | -179.1 | 0 | 0 | 0 | 0 | 111.2 | S1352 R1353 | S1350-S1352 PolarHBondContact O-N 3.37Å; S1350-S1352 PolarHBondContact OG-N 3.43Å; S1350-S1352 PolarHBondContact OG-OG 2.89Å; S1350-R1353 WeakPolarHBondContact CA-O 3.28Å; S1350-R1353 WeakPolarHBondContact CB-O 3.23Å; S1350-R1353 PolarHBondContact N-O 3.46Å | ||
| 1351 | Q | 64 | Low | 82.7 | Confident | 195 Ų | 195 | 34.2 Ų | 34.2 | 91% | 0.911 | 18% | 0.181 | S | C | * | . | S | Bend | trans | -61.7 | -27.6 | 172.3 | -65 | -175 | 2.4 | 0 | 0 | 112.5 | ||
| 1352 | S | 66.4 | Low | 81.9 | Confident | 67 Ų | 67 | 36.6 Ų | 36.6 | 47% | 0.469 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -106.2 | -12.8 | -175.2 | 59.3 | 0 | 0 | 0 | 0 | 115 | S1350 | S1350-S1352 PolarHBondContact O-N 3.37Å; S1350-S1352 PolarHBondContact OG-N 3.43Å; S1350-S1352 PolarHBondContact OG-OG 2.89Å |
| 1353 | R | 74.7 | Confident | 81.5 | Confident | 72 Ų | 72 | 38.4 Ų | 38.4 | 27% | 0.272 | 21% | 0.205 | S | C | . | . | trans | -153.3 | 131.5 | 178.4 | -64.8 | -167 | -178.8 | -158.8 | -1.4 | 110.9 | L1170 E1177 S1350 | L1170-R1353 HydrophobicContact CD1-CB 4.3Å; L1170-R1353 HydrophobicContact CD2-CB 4.37Å; L1170-R1353 HydrophobicContact CD2-CG 4.43Å; E1177-R1353 IonicContact OE1-CZ 2.85Å; E1177-R1353 IonicContact OE1-NH1 3.65Å; E1177-R1353 PolarHBondContact OE1-NH1 3.4Å; E1177-R1353 IonicContact OE1-NH2 3.86Å; E1177-R1353 PolarHBondContact OE1-NH2 3.18Å; S1350-R1353 WeakPolarHBondContact CA-O 3.28Å; S1350-R1353 WeakPolarHBondContact CB-O 3.23Å; S1350-R1353 PolarHBondContact N-O 3.46Å | ||
| 1354 | K | 83.5 | Confident | 81.7 | Confident | 56 Ų | 56 | 36.7 Ų | 36.7 | 24% | 0.243 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 117.4 | 175.7 | -65.2 | 156.2 | -173.5 | 143.2 | 0 | 108.2 | L1314 L1323 L1326 C1348 | L1314-K1354 HydrophobicContact CB-CB 4.46Å; L1314-K1354 HydrophobicContact CD1-CB 3.88Å; L1314-K1354 HydrophobicContact CD1-CD 4.09Å; L1314-K1354 HydrophobicContact CG-CB 4.28Å; L1314-K1354 PolarHBondContact N-O 3.24Å; L1323-K1354 HydrophobicContact CD1-CD 4.29Å; L1326-K1354 HydrophobicContact CD2-CB 3.81Å; C1348-K1354 CarbonylContact O-C 3.54Å; C1348-K1354 WeakPolarHBondContact O-CA 3.45Å |
| 1355 | C | 86.9 | Confident | 81.9 | Confident | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.007 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 141.3 | -166 | -47.3 | 0 | 0 | 0 | 0 | 113.2 | V1311 K1312 I1347 C1348 | V1311-C1355 HydrophobicContact CG1-CB 3.63Å; K1312-C1355 VanDerWaalsContact O-CA 3.25Å; K1312-C1355 WeakPolarHBondContact O-CA 3.33Å; I1347-C1355 WeakPolarHBondContact CA-O 3.45Å; C1348-C1355 HydrophobicContact CB-CB 4.06Å; C1348-C1355 PolarHBondContact N-O 2.73Å; C1348-C1355 PolarHBondContact O-N 3.33Å |
| 1356 | L | 87.8 | Confident | 82.3 | Confident | 6 Ų | 6 | 34.9 Ų | 34.9 | 3% | 0.031 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 142.5 | 155.2 | -51.1 | -175.6 | 0 | 0 | 0 | 109.4 | V1311 K1312 L1326 E1329 A1330 M1333 L1344 I1347 | V1311-L1356 CarbonylContact C-O 3.08Å; V1311-L1356 WeakPolarHBondContact CA-O 3.38Å; K1312-L1356 HydrophobicContact CB-CB 4.26Å; K1312-L1356 HydrophobicContact CD-CD1 4.31Å; K1312-L1356 PolarHBondContact N-O 2.81Å; K1312-L1356 PolarHBondContact O-N 2.03Å; L1326-L1356 HydrophobicContact CD1-CD1 4.22Å; L1326-L1356 HydrophobicContact CD1-CD2 3.48Å; L1326-L1356 VanDerWaalsContact CD1-CD2 3.48Å; L1326-L1356 HydrophobicContact CD1-CG 3.51Å; L1326-L1356 HydrophobicContact CG-CD2 3.9Å; L1326-L1356 HydrophobicContact CG-CG 4.46Å; E1329-L1356 HydrophobicContact CB-CD1 4.15Å; E1329-L1356 HydrophobicContact CG-CD1 3.57Å; A1330-L1356 HydrophobicContact CB-CD2 3.83Å; M1333-L1356 HydrophobicContact SD-CD1 3.89Å; L1344-L1356 HydrophobicContact CD1-CB 3.88Å; L1344-L1356 HydrophobicContact CD1-CD2 4.29Å; L1344-L1356 HydrophobicContact CD1-CG 4.47Å; I1347-L1356 HydrophobicContact CG2-CD2 3.72Å |
| 1357 | V | 88.8 | Confident | 82.5 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 122.6 | 176 | -174.2 | 0 | 0 | 0 | 0 | 108.8 | I1168 L1173 V1309 A1310 V1311 L1345 G1346 | I1168-V1357 HydrophobicContact CD1-CB 3.79Å; I1168-V1357 HydrophobicContact CD1-CG1 4Å; I1168-V1357 HydrophobicContact CD1-CG2 3.8Å; L1173-V1357 HydrophobicContact CD1-CG2 4.04Å; L1173-V1357 HydrophobicContact CD2-CG1 4.45Å; L1173-V1357 HydrophobicContact CD2-CG2 4.22Å; V1309-V1357 HydrophobicContact CB-CG1 3.76Å; V1309-V1357 HydrophobicContact CG1-CG1 3.83Å; V1309-V1357 HydrophobicContact CG2-CG1 4.04Å; A1310-V1357 WeakPolarHBondContact O-CA 3.13Å; V1311-V1357 HydrophobicContact CG1-CG2 4.42Å; V1311-V1357 HydrophobicContact CG2-CG2 4.45Å; L1345-V1357 WeakPolarHBondContact CA-O 3.43Å; L1345-V1357 WeakPolarHBondContact CB-O 3.3Å; L1345-V1357 PolarHBondContact N-O 2.85Å; G1346-V1357 PolarHBondContact N-O 3.46Å; G1346-V1357 PolarHBondContact O-N 3.03Å |
| 1358 | S | 87.9 | Confident | 82.3 | Confident | 17 Ų | 17 | 39 Ų | 39 | 12% | 0.119 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 172.2 | 174 | 69.7 | 0 | 0 | 0 | 0 | 110.7 | V1309 A1310 L1345 | V1309-S1358 WeakPolarHBondContact CA-O 3.39Å; V1309-S1358 WeakPolarHBondContact CB-O 3.4Å; A1310-S1358 PolarHBondContact N-O 2.94Å; A1310-S1358 PolarHBondContact O-N 2.85Å; L1345-S1358 VanDerWaalsContact CD1-C 3.49Å |
| 1359 | A | 81.6 | Confident | 82.5 | Confident | 20 Ų | 20 | 39.8 Ų | 39.8 | 17% | 0.165 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.8 | 145.5 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | L1345 | L1345-A1359 HydrophobicContact CD1-CB 4.37Å |
| 1360 | Y | 85.4 | Confident | 82.8 | Confident | 45 Ų | 45 | 36.5 Ų | 36.5 | 18% | 0.176 | 19% | 0.19 | C | C | . | . | trans | -81 | 123.5 | 171.9 | 177.7 | -110.5 | 0 | 0 | 0 | 110.5 | L1182 Q1192 C1308 A1310 V1362 | L1182-Y1360 HydrophobicContact CD1-CD2 3.85Å; L1182-Y1360 HydrophobicContact CD1-CE2 3.55Å; L1182-Y1360 HydrophobicContact CD2-CE2 3.89Å; L1182-Y1360 HydrophobicContact CG-CE2 4.38Å; Q1192-Y1360 HydrophobicContact CG-CD2 4.15Å; Q1192-Y1360 HydrophobicContact CG-CE2 4.14Å; Q1192-Y1360 HydrophobicContact CG-CG 4.48Å; C1308-Y1360 PolarHBondContact O-N 2.88Å; A1310-Y1360 HydrophobicContact CB-CD2 4.46Å; Y1360-V1362 HydrophobicContact CD1-CG1 4.05Å; Y1360-V1362 HydrophobicContact CE1-CB 4.44Å; Y1360-V1362 HydrophobicContact CE1-CG1 3.93Å | ||
| 1361 | V | 83.9 | Confident | 83.3 | Confident | 17 Ų | 17 | 40.2 Ų | 40.2 | 10% | 0.103 | 20% | 0.199 | C | C | . | . | trans | -102.1 | 109.1 | -178.8 | -178.6 | 0 | 0 | 0 | 0 | 110.5 | L1342 N1363 G1364 L1412 V1413 T1414 | L1342-V1361 HydrophobicContact CD1-CG2 3.95Å; V1361-N1363 PolarHBondContact O-N 3.48Å; V1361-G1364 PolarHBondContact O-N 3.3Å; V1361-L1412 HydrophobicContact CB-CB 4.21Å; V1361-L1412 HydrophobicContact CB-CD1 4.03Å; V1361-L1412 HydrophobicContact CG1-CB 3.91Å; V1361-L1412 HydrophobicContact CG2-CB 4.33Å; V1361-L1412 HydrophobicContact CG2-CD1 3.77Å; V1361-V1413 VanDerWaalsContact CG1-O 3.26Å; V1361-V1413 WeakPolarHBondContact CG1-O 3.31Å; V1361-T1414 HydrophobicContact CG1-CG2 3.79Å; V1361-T1414 HydrophobicContact CG2-CG2 4.17Å | ||
| 1362 | V | 73.4 | Confident | 84.1 | Confident | 53 Ų | 53 | 36 Ų | 36 | 32% | 0.321 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -32.1 | -162.7 | -61.9 | 0 | 0 | 0 | 0 | 115.7 | Y1360 | Y1360-V1362 HydrophobicContact CD1-CG1 4.05Å; Y1360-V1362 HydrophobicContact CE1-CB 4.44Å; Y1360-V1362 HydrophobicContact CE1-CG1 3.93Å |
| 1363 | N | 81.3 | Confident | 84.9 | Confident | 41 Ų | 41 | 38 Ų | 38 | 22% | 0.219 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -6.3 | -179.2 | -42.9 | -82 | 0 | 0 | 0 | 113.6 | V1361 Y1369 V1413 T1414 | V1361-N1363 PolarHBondContact O-N 3.48Å; N1363-Y1369 HydrophobicContact CB-CD2 3.93Å; N1363-Y1369 HydrophobicContact CB-CE2 4.16Å; N1363-V1413 HydrophobicContact CB-CB 4.16Å; N1363-V1413 HydrophobicContact CB-CG1 4.44Å; N1363-V1413 VanDerWaalsContact CB-O 3.31Å; N1363-V1413 WeakPolarHBondContact CB-O 3.29Å; N1363-V1413 PolarHBondContact ND2-O 2.99Å; N1363-T1414 PolarHBondContact ND2-O 2.96Å |
| 1364 | G | 84.4 | Confident | 84.9 | Confident | 19 Ų | 19 | 35.6 Ų | 35.6 | 20% | 0.196 | 18% | 0.175 | C | C | . | . | trans | 74.4 | -153.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | V1361 L1412 V1413 | V1361-G1364 PolarHBondContact O-N 3.3Å; G1364-L1412 WeakPolarHBondContact O-CA 3.47Å; G1364-V1413 PolarHBondContact O-N 2.87Å | ||
| 1365 | S | 89.6 | Confident | 84.3 | Confident | 11 Ų | 11 | 37.1 Ų | 37.1 | 8% | 0.077 | 19% | 0.191 | C | C | . | . | B | Isolated β-bridge | trans | -71.8 | 151.2 | -178.8 | 58.3 | 0 | 0 | 0 | 0 | 113.1 | D1367 R1368 Y1369 R1409 V1411 | S1365-D1367 VanDerWaalsContact C-N 3.3Å; S1365-D1367 WeakPolarHBondContact CB-OD1 3.46Å; S1365-D1367 PolarHBondContact O-N 3.04Å; S1365-D1367 PolarHBondContact OG-OD1 2.65Å; S1365-R1368 PolarHBondContact O-N 2.9Å; S1365-R1368 WeakPolarHBondContact OG-CB 3.41Å; S1365-R1368 PolarHBondContact OG-N 3.02Å; S1365-Y1369 PolarHBondContact O-N 2.65Å; S1365-R1409 WeakPolarHBondContact CB-O 3.28Å; S1365-V1411 CarbonylContact C-O 3.49Å; S1365-V1411 WeakPolarHBondContact CA-O 3.27Å |
| 1366 | L | 92.9 | Very high | 83.5 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.4 | -37.1 | 175.2 | 178.1 | 61 | 0 | 0 | 0 | 111.3 | R1368 Y1369 L1370 W1385 I1389 T1408 V1411 V1413 L1419 I1479 | L1366-R1368 VanDerWaalsContact C-N 3.33Å; L1366-R1368 PolarHBondContact O-N 3.43Å; L1366-Y1369 PolarHBondContact O-N 2.96Å; L1366-L1370 HydrophobicContact CD1-CD1 4.26Å; L1366-L1370 HydrophobicContact CD1-CG 4.01Å; L1366-L1370 HydrophobicContact CG-CD1 3.94Å; L1366-L1370 HydrophobicContact CG-CG 4.22Å; L1366-L1370 WeakPolarHBondContact O-CB 3.4Å; L1366-L1370 VanDerWaalsContact O-CG 3.22Å; L1366-L1370 WeakPolarHBondContact O-CG 3.31Å; L1366-L1370 PolarHBondContact O-N 3.44Å; L1366-W1385 HydrophobicContact CD1-CD2 4.12Å; L1366-W1385 HydrophobicContact CD1-CE3 3.71Å; L1366-W1385 HydrophobicContact CD1-CH2 4.08Å; L1366-W1385 HydrophobicContact CD1-CZ2 4.44Å; L1366-W1385 HydrophobicContact CD1-CZ3 3.7Å; L1366-I1389 HydrophobicContact CD2-CD1 4.03Å; L1366-T1408 HydrophobicContact CD2-CG2 4.3Å; L1366-T1408 PolarHBondContact N-O 3.03Å; L1366-V1411 HydrophobicContact CB-CB 4.13Å; L1366-V1411 HydrophobicContact CB-CG1 4.3Å; L1366-V1411 HydrophobicContact CD2-CB 4.33Å; L1366-V1411 HydrophobicContact CD2-CG1 4.16Å; L1366-V1411 PolarHBondContact N-O 2.87Å; L1366-V1413 HydrophobicContact CB-CG2 4.01Å; L1366-V1413 HydrophobicContact CD1-CG2 3.9Å; L1366-L1419 HydrophobicContact CD1-CD2 4.16Å; L1366-L1419 HydrophobicContact CD2-CD1 3.85Å; L1366-I1479 HydrophobicContact CD2-CD1 3.86Å; L1366-I1479 HydrophobicContact CD2-CG1 3.99Å |
| 1367 | D | 89 | Confident | 83.3 | Confident | 13 Ų | 13 | 44.2 Ų | 44.2 | 7% | 0.07 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.1 | -40.5 | 174.5 | 100.5 | -73.3 | 0 | 0 | 0 | 112.2 | S1365 R1371 T1408 | S1365-D1367 VanDerWaalsContact C-N 3.3Å; S1365-D1367 WeakPolarHBondContact CB-OD1 3.46Å; S1365-D1367 PolarHBondContact O-N 3.04Å; S1365-D1367 PolarHBondContact OG-OD1 2.65Å; D1367-R1371 WeakPolarHBondContact O-CB 3.16Å; D1367-R1371 WeakPolarHBondContact O-CD 3.24Å; D1367-R1371 WeakPolarHBondContact O-CG 3.21Å; D1367-R1371 PolarHBondContact O-N 3.03Å; D1367-R1371 VanDerWaalsContact O-N 3.11Å; D1367-R1371 PolarHBondContact O-NE 2.75Å; D1367-R1371 IonicContact OD2-CZ 2.63Å; D1367-R1371 VanDerWaalsContact OD2-CZ 3.31Å; D1367-R1371 IonicContact OD2-NE 2.72Å; D1367-R1371 PolarHBondContact OD2-NE 3.14Å; D1367-R1371 IonicContact OD2-NH2 2.73Å; D1367-R1371 PolarHBondContact OD2-NH2 3.25Å; D1367-T1408 WeakPolarHBondContact CB-OG1 3.34Å; D1367-T1408 PolarHBondContact N-O 2.8Å |
| 1368 | R | 84.5 | Confident | 83.1 | Confident | 81 Ų | 81 | 48.5 Ų | 48.5 | 31% | 0.306 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -68.1 | -41.6 | 174.3 | -175.3 | -175.7 | -177.1 | -162.2 | 1.1 | 111 | S1365 L1366 R1371 L1372 | S1365-R1368 PolarHBondContact O-N 2.9Å; S1365-R1368 WeakPolarHBondContact OG-CB 3.41Å; S1365-R1368 PolarHBondContact OG-N 3.02Å; L1366-R1368 VanDerWaalsContact C-N 3.33Å; L1366-R1368 PolarHBondContact O-N 3.43Å; R1368-R1371 PolarHBondContact O-N 3.08Å; R1368-L1372 HydrophobicContact CG-CD1 3.77Å; R1368-L1372 HydrophobicContact CG-CG 4.33Å; R1368-L1372 WeakPolarHBondContact O-CB 3.37Å; R1368-L1372 VanDerWaalsContact O-CG 3.29Å; R1368-L1372 WeakPolarHBondContact O-CG 3.38Å; R1368-L1372 PolarHBondContact O-N 2.76Å |
| 1369 | Y | 89.1 | Confident | 82.9 | Confident | 17 Ų | 17 | 48.9 Ų | 48.9 | 7% | 0.067 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.2 | -47.5 | 179.6 | -167.1 | -82.7 | 0 | 0 | 0 | 111.7 | N1363 S1365 L1366 L1372 R1373 I1377 W1385 V1413 | N1363-Y1369 HydrophobicContact CB-CD2 3.93Å; N1363-Y1369 HydrophobicContact CB-CE2 4.16Å; S1365-Y1369 PolarHBondContact O-N 2.65Å; L1366-Y1369 PolarHBondContact O-N 2.96Å; Y1369-L1372 PolarHBondContact O-N 2.92Å; Y1369-R1373 HydrophobicContact CD1-CB 4.48Å; Y1369-R1373 HydrophobicContact CE1-CB 4.3Å; Y1369-R1373 VanDerWaalsContact CE2-NH1 3.26Å; Y1369-R1373 VanDerWaalsContact CZ-CD 3.42Å; Y1369-R1373 WeakPolarHBondContact O-CB 3.42Å; Y1369-R1373 PolarHBondContact O-N 2.88Å; Y1369-R1373 PolarHBondContact OH-NH1 2.97Å; Y1369-I1377 HydrophobicContact CD1-CD1 4.25Å; Y1369-I1377 HydrophobicContact CE1-CD1 4.26Å; Y1369-I1377 HydrophobicContact CE1-CG1 4.45Å; Y1369-W1385 AromaticContact CD1-CH2 3.61Å; Y1369-W1385 HydrophobicContact CD1-CH2 3.61Å; Y1369-W1385 HydrophobicContact CD1-CZ2 4.11Å; Y1369-W1385 AromaticContact CE1-CH2 3.55Å; Y1369-W1385 HydrophobicContact CE1-CH2 3.55Å; Y1369-W1385 AromaticContact CE1-CZ2 3.79Å; Y1369-W1385 HydrophobicContact CE1-CZ2 3.79Å; Y1369-V1413 HydrophobicContact CD1-CG2 4.49Å; Y1369-V1413 HydrophobicContact CD2-CB 3.94Å; Y1369-V1413 HydrophobicContact CD2-CG1 3.72Å; Y1369-V1413 HydrophobicContact CD2-CG2 4.03Å; Y1369-V1413 HydrophobicContact CE2-CB 4.42Å; Y1369-V1413 HydrophobicContact CE2-CG1 3.72Å; Y1369-V1413 HydrophobicContact CG-CB 4.27Å; Y1369-V1413 HydrophobicContact CG-CG1 4.16Å; Y1369-V1413 HydrophobicContact CG-CG2 3.84Å |
| 1370 | L | 90.3 | Very high | 83.3 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -55.2 | -54.2 | 173.5 | -72.1 | 164.4 | 0 | 0 | 0 | 110.5 | L1366 L1372 R1373 A1374 I1377 L1382 W1385 T1408 I1479 F1482 | L1366-L1370 HydrophobicContact CD1-CD1 4.26Å; L1366-L1370 HydrophobicContact CD1-CG 4.01Å; L1366-L1370 HydrophobicContact CG-CD1 3.94Å; L1366-L1370 HydrophobicContact CG-CG 4.22Å; L1366-L1370 WeakPolarHBondContact O-CB 3.4Å; L1366-L1370 VanDerWaalsContact O-CG 3.22Å; L1366-L1370 WeakPolarHBondContact O-CG 3.31Å; L1366-L1370 PolarHBondContact O-N 3.44Å; L1370-L1372 VanDerWaalsContact C-N 3.28Å; L1370-L1372 PolarHBondContact O-N 3.19Å; L1370-R1373 PolarHBondContact O-N 3.21Å; L1370-A1374 VanDerWaalsContact O-CA 3.32Å; L1370-A1374 WeakPolarHBondContact O-CA 3.37Å; L1370-A1374 VanDerWaalsContact O-CB 3.29Å; L1370-A1374 WeakPolarHBondContact O-CB 3.14Å; L1370-A1374 PolarHBondContact O-N 3.15Å; L1370-I1377 HydrophobicContact CD2-CD1 4.26Å; L1370-L1382 HydrophobicContact CD2-CD2 4.18Å; L1370-W1385 HydrophobicContact CD2-CE3 4.41Å; L1370-W1385 HydrophobicContact CD2-CZ3 3.72Å; L1370-W1385 HydrophobicContact CG-CZ3 4.46Å; L1370-T1408 HydrophobicContact CD1-CG2 4.15Å; L1370-I1479 HydrophobicContact CD1-CG1 4.21Å; L1370-F1482 HydrophobicContact CD2-CD1 4.37Å |
| 1371 | R | 84.5 | Confident | 83.6 | Confident | 113 Ų | 113 | 52 Ų | 52 | 43% | 0.426 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -57.7 | -35.5 | 179.4 | -70.7 | 170.2 | -152.6 | -54.1 | -14 | 114 | D1367 R1368 G1483 | D1367-R1371 WeakPolarHBondContact O-CB 3.16Å; D1367-R1371 WeakPolarHBondContact O-CD 3.24Å; D1367-R1371 WeakPolarHBondContact O-CG 3.21Å; D1367-R1371 PolarHBondContact O-N 3.03Å; D1367-R1371 VanDerWaalsContact O-N 3.11Å; D1367-R1371 PolarHBondContact O-NE 2.75Å; D1367-R1371 IonicContact OD2-CZ 2.63Å; D1367-R1371 VanDerWaalsContact OD2-CZ 3.31Å; D1367-R1371 IonicContact OD2-NE 2.72Å; D1367-R1371 PolarHBondContact OD2-NE 3.14Å; D1367-R1371 IonicContact OD2-NH2 2.73Å; D1367-R1371 PolarHBondContact OD2-NH2 3.25Å; R1368-R1371 PolarHBondContact O-N 3.08Å; R1371-G1483 PolarHBondContact NH1-O 2.9Å; R1371-G1483 PolarHBondContact NH2-O 2.72Å |
| 1372 | L | 81 | Confident | 84 | Confident | 108 Ų | 108 | 51.2 Ų | 51.2 | 57% | 0.565 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -89.4 | -23.6 | -176 | -71 | 178.7 | 0 | 0 | 0 | 114.1 | R1368 Y1369 L1370 | R1368-L1372 HydrophobicContact CG-CD1 3.77Å; R1368-L1372 HydrophobicContact CG-CG 4.33Å; R1368-L1372 WeakPolarHBondContact O-CB 3.37Å; R1368-L1372 VanDerWaalsContact O-CG 3.29Å; R1368-L1372 WeakPolarHBondContact O-CG 3.38Å; R1368-L1372 PolarHBondContact O-N 2.76Å; Y1369-L1372 PolarHBondContact O-N 2.92Å; L1370-L1372 VanDerWaalsContact C-N 3.28Å; L1370-L1372 PolarHBondContact O-N 3.19Å |
| 1373 | R | 82.3 | Confident | 85 | Confident | 108 Ų | 108 | 48.7 Ų | 48.7 | 41% | 0.408 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -123 | 11.6 | -174.6 | -65.2 | -179 | 177.3 | -171.8 | 0.5 | 113.5 | Y1369 L1370 P1375 N1376 I1377 | Y1369-R1373 HydrophobicContact CD1-CB 4.48Å; Y1369-R1373 HydrophobicContact CE1-CB 4.3Å; Y1369-R1373 VanDerWaalsContact CE2-NH1 3.26Å; Y1369-R1373 VanDerWaalsContact CZ-CD 3.42Å; Y1369-R1373 WeakPolarHBondContact O-CB 3.42Å; Y1369-R1373 PolarHBondContact O-N 2.88Å; Y1369-R1373 PolarHBondContact OH-NH1 2.97Å; L1370-R1373 PolarHBondContact O-N 3.21Å; R1373-P1375 VanDerWaalsContact C-N 3.3Å; R1373-P1375 WeakPolarHBondContact O-CD 3.35Å; R1373-N1376 PolarHBondContact O-N 3.06Å; R1373-I1377 HydrophobicContact CB-CD1 4.08Å; R1373-I1377 HydrophobicContact CB-CG1 4.28Å; R1373-I1377 WeakPolarHBondContact O-CG1 3.33Å |
| 1374 | A | 75.9 | Confident | 85.5 | Confident | 22 Ų | 22 | 49.8 Ų | 49.8 | 18% | 0.182 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -43.2 | -40.1 | -175 | 0 | 0 | 0 | 0 | 0 | 116.3 | L1370 F1482 R1554 | L1370-A1374 VanDerWaalsContact O-CA 3.32Å; L1370-A1374 WeakPolarHBondContact O-CA 3.37Å; L1370-A1374 VanDerWaalsContact O-CB 3.29Å; L1370-A1374 WeakPolarHBondContact O-CB 3.14Å; L1370-A1374 PolarHBondContact O-N 3.15Å; A1374-F1482 HydrophobicContact CB-CB 3.98Å; A1374-F1482 HydrophobicContact CB-CD1 4.11Å; A1374-F1482 HydrophobicContact CB-CG 4.28Å; A1374-R1554 PolarHBondContact O-NH1 3.11Å |
| 1375 | P | 70.3 | Confident | 86 | Confident | 87 Ų | 87 | 48.9 Ų | 48.9 | 57% | 0.565 | 25% | 0.247 | S | C | * | . | G | 310 helix | trans | -67.9 | -33.5 | 177.1 | -19.8 | 33.9 | 0 | 0 | 0 | 113.5 | R1373 I1377 | R1373-P1375 VanDerWaalsContact C-N 3.3Å; R1373-P1375 WeakPolarHBondContact O-CD 3.35Å; P1375-I1377 PolarHBondContact O-N 2.03Å |
| 1376 | N | 70.9 | Confident | 86.3 | Confident | 144 Ų | 144 | 48.4 Ų | 48.4 | 77% | 0.77 | 24% | 0.243 | S | C | * | . | G | 310 helix | trans | -101.6 | 26.2 | -165.1 | -60.5 | -5.9 | 0 | 0 | 0 | 113.3 | R1373 | R1373-N1376 PolarHBondContact O-N 3.06Š|
| 1377 | I | 82.5 | Confident | 86.4 | Confident | 13 Ų | 13 | 48.8 Ų | 48.8 | 7% | 0.067 | 25% | 0.246 | C | C | . | . | trans | -118.4 | 116.1 | -179.1 | -58.5 | 161.2 | 0 | 0 | 0 | 109 | Y1369 L1370 R1373 P1375 I1381 L1382 W1385 | Y1369-I1377 HydrophobicContact CD1-CD1 4.25Å; Y1369-I1377 HydrophobicContact CE1-CD1 4.26Å; Y1369-I1377 HydrophobicContact CE1-CG1 4.45Å; L1370-I1377 HydrophobicContact CD2-CD1 4.26Å; R1373-I1377 HydrophobicContact CB-CD1 4.08Å; R1373-I1377 HydrophobicContact CB-CG1 4.28Å; R1373-I1377 WeakPolarHBondContact O-CG1 3.33Å; P1375-I1377 PolarHBondContact O-N 2.03Å; I1377-I1381 HydrophobicContact CG2-CB 4.13Å; I1377-I1381 HydrophobicContact CG2-CG2 3.99Å; I1377-L1382 HydrophobicContact CG2-CD2 3.58Å; I1377-L1382 HydrophobicContact CG2-CG 3.86Å; I1377-W1385 HydrophobicContact CD1-CH2 3.88Å; I1377-W1385 HydrophobicContact CD1-CZ3 4.1Å; I1377-W1385 HydrophobicContact CG1-CH2 4.17Å; I1377-W1385 HydrophobicContact CG2-CH2 3.8Å; I1377-W1385 HydrophobicContact CG2-CZ3 3.78Å | ||
| 1378 | D | 84.1 | Confident | 86.8 | Confident | 90 Ų | 90 | 48.7 Ų | 48.7 | 48% | 0.481 | 25% | 0.245 | S | C | . | . | trans | -69.3 | 146 | 178.1 | 179 | 14.6 | 0 | 0 | 0 | 112.1 | L1380 I1381 L1382 | D1378-L1380 PolarHBondContact O-N 3.02Å; D1378-L1380 PolarHBondContact OD1-N 3.12Å; D1378-L1380 WeakPolarHBondContact OD2-CB 3.41Å; D1378-I1381 HydrophobicContact CB-CD1 4.19Å; D1378-I1381 HydrophobicContact CB-CG1 4.25Å; D1378-I1381 WeakPolarHBondContact O-CB 3.35Å; D1378-I1381 PolarHBondContact O-N 2.88Å; D1378-L1382 PolarHBondContact O-N 3.03Å; D1378-L1382 VanDerWaalsContact O-N 3.09Å | ||
| 1379 | S | 85.1 | Confident | 87.4 | Confident | 25 Ų | 25 | 44.9 Ų | 44.9 | 18% | 0.175 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -51.5 | -34.4 | 170.4 | -68.4 | 0 | 0 | 0 | 0 | 113.3 | L1382 L1383 | S1379-L1382 PolarHBondContact O-N 3.29Å; S1379-L1383 WeakPolarHBondContact O-CG 3.24Å; S1379-L1383 PolarHBondContact O-N 2.86Å; S1379-L1383 VanDerWaalsContact O-N 3.17Å |
| 1380 | L | 89.5 | Confident | 87.8 | Confident | 75 Ų | 75 | 44 Ų | 44 | 39% | 0.393 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -61.7 | -45.9 | 173.2 | 178.6 | 58.8 | 0 | 0 | 0 | 111.6 | D1378 L1382 L1383 D1384 A1544 P1547 | D1378-L1380 PolarHBondContact O-N 3.02Å; D1378-L1380 PolarHBondContact OD1-N 3.12Å; D1378-L1380 WeakPolarHBondContact OD2-CB 3.41Å; L1380-L1382 VanDerWaalsContact C-N 3.34Å; L1380-L1382 PolarHBondContact O-N 2.98Å; L1380-L1383 PolarHBondContact O-N 3.31Å; L1380-D1384 WeakPolarHBondContact O-CB 3.21Å; L1380-D1384 PolarHBondContact O-N 2.75Å; L1380-A1544 HydrophobicContact CD1-CB 4.2Å; L1380-A1544 VanDerWaalsContact CD1-O 3.3Å; L1380-A1544 WeakPolarHBondContact CD1-O 3.33Å; L1380-P1547 HydrophobicContact CB-CG 4.08Å; L1380-P1547 HydrophobicContact CD1-CG 3.85Å |
| 1381 | I | 91.2 | Very high | 88.1 | Confident | 55 Ų | 55 | 45.4 Ų | 45.4 | 28% | 0.282 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -64.2 | -40.4 | -179.8 | -62.3 | 173.3 | 0 | 0 | 0 | 110.3 | I1377 D1378 L1383 D1384 W1385 | I1377-I1381 HydrophobicContact CG2-CB 4.13Å; I1377-I1381 HydrophobicContact CG2-CG2 3.99Å; D1378-I1381 HydrophobicContact CB-CD1 4.19Å; D1378-I1381 HydrophobicContact CB-CG1 4.25Å; D1378-I1381 WeakPolarHBondContact O-CB 3.35Å; D1378-I1381 PolarHBondContact O-N 2.88Å; I1381-L1383 PolarHBondContact O-N 3.13Å; I1381-D1384 PolarHBondContact O-N 3.37Å; I1381-W1385 HydrophobicContact CG2-CD2 3.76Å; I1381-W1385 HydrophobicContact CG2-CE3 4.26Å; I1381-W1385 HydrophobicContact CG2-CG 4.26Å; I1381-W1385 HydrophobicContact CG2-CH2 3.96Å; I1381-W1385 HydrophobicContact CG2-CZ2 3.43Å; I1381-W1385 VanDerWaalsContact CG2-CZ2 3.43Å; I1381-W1385 HydrophobicContact CG2-CZ3 4.34Å; I1381-W1385 VanDerWaalsContact O-CB 3.27Å; I1381-W1385 WeakPolarHBondContact O-CB 3.3Å; I1381-W1385 PolarHBondContact O-N 3.19Å |
| 1382 | L | 92.5 | Very high | 88.6 | Confident | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.7 | -41.5 | 177.6 | -61.7 | 171.7 | 0 | 0 | 0 | 112.7 | L1370 I1377 D1378 S1379 L1380 W1385 A1386 I1479 F1480 F1482 I1510 L1551 | L1370-L1382 HydrophobicContact CD2-CD2 4.18Å; I1377-L1382 HydrophobicContact CG2-CD2 3.58Å; I1377-L1382 HydrophobicContact CG2-CG 3.86Å; D1378-L1382 PolarHBondContact O-N 3.03Å; D1378-L1382 VanDerWaalsContact O-N 3.09Å; S1379-L1382 PolarHBondContact O-N 3.29Å; L1380-L1382 VanDerWaalsContact C-N 3.34Å; L1380-L1382 PolarHBondContact O-N 2.98Å; L1382-W1385 HydrophobicContact CD2-CE3 4.07Å; L1382-W1385 HydrophobicContact CD2-CZ3 3.99Å; L1382-A1386 PolarHBondContact O-N 2.86Å; L1382-A1386 VanDerWaalsContact O-N 3.16Å; L1382-I1479 HydrophobicContact CB-CG2 4.34Å; L1382-I1479 HydrophobicContact CD2-CG2 3.79Å; L1382-F1480 HydrophobicContact CB-CD1 4.02Å; L1382-F1480 HydrophobicContact CB-CE1 3.81Å; L1382-F1482 HydrophobicContact CD1-CE1 3.7Å; L1382-F1482 HydrophobicContact CD1-CE2 4.5Å; L1382-F1482 HydrophobicContact CD1-CZ 3.47Å; L1382-F1482 VanDerWaalsContact CD1-CZ 3.47Å; L1382-F1482 HydrophobicContact CD2-CE1 3.98Å; L1382-F1482 HydrophobicContact CD2-CZ 4.48Å; L1382-F1482 HydrophobicContact CG-CE1 4.44Å; L1382-I1510 HydrophobicContact CD1-CD1 3.9Å; L1382-L1551 HydrophobicContact CB-CD1 4.08Å; L1382-L1551 HydrophobicContact CD1-CD1 4.26Å |
| 1383 | L | 93.8 | Very high | 89.4 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -73.9 | -38 | 177.5 | -69.1 | 167.9 | 0 | 0 | 0 | 112.1 | S1379 L1380 I1381 A1386 S1387 F1480 L1515 F1540 F1543 A1544 P1547 L1551 | S1379-L1383 WeakPolarHBondContact O-CG 3.24Å; S1379-L1383 PolarHBondContact O-N 2.86Å; S1379-L1383 VanDerWaalsContact O-N 3.17Å; L1380-L1383 PolarHBondContact O-N 3.31Å; I1381-L1383 PolarHBondContact O-N 3.13Å; L1383-A1386 WeakPolarHBondContact O-CB 3.35Å; L1383-A1386 PolarHBondContact O-N 3.13Å; L1383-S1387 PolarHBondContact O-N 3.15Å; L1383-F1480 HydrophobicContact CD2-CE1 4.44Å; L1383-F1480 HydrophobicContact CD2-CZ 3.88Å; L1383-L1515 HydrophobicContact CD2-CD1 4.25Å; L1383-L1515 HydrophobicContact CD2-CD2 4.32Å; L1383-F1540 HydrophobicContact CD2-CD1 4.05Å; L1383-F1540 HydrophobicContact CD2-CE1 4.43Å; L1383-F1543 HydrophobicContact CD1-CB 4.27Å; L1383-F1543 HydrophobicContact CD2-CB 4.02Å; L1383-A1544 HydrophobicContact CB-CB 4.08Å; L1383-P1547 HydrophobicContact CD1-CB 3.77Å; L1383-P1547 HydrophobicContact CD1-CG 4.24Å; L1383-L1551 HydrophobicContact CD1-CD1 4.09Å; L1383-L1551 HydrophobicContact CD1-CG 4.28Å; L1383-L1551 HydrophobicContact CD2-CD1 4.18Å; L1383-L1551 HydrophobicContact CD2-CG 4.31Å; L1383-L1551 HydrophobicContact CG-CD1 3.75Å; L1383-L1551 HydrophobicContact CG-CG 4.26Å |
| 1384 | D | 92.3 | Very high | 90 | Very high | 63 Ų | 63 | 30 Ų | 30 | 34% | 0.337 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -63.1 | -47.9 | 175.4 | -169.7 | 82.9 | 0 | 0 | 0 | 110.7 | L1380 I1381 A1386 S1387 Q1388 | L1380-D1384 WeakPolarHBondContact O-CB 3.21Å; L1380-D1384 PolarHBondContact O-N 2.75Å; I1381-D1384 PolarHBondContact O-N 3.37Å; D1384-A1386 VanDerWaalsContact C-N 3.32Å; D1384-A1386 PolarHBondContact O-N 2.68Å; D1384-S1387 CarbonylContact O-C 3.57Å; D1384-S1387 WeakPolarHBondContact O-CA 3.27Å; D1384-S1387 WeakPolarHBondContact O-CB 3.47Å; D1384-S1387 PolarHBondContact O-N 2.92Å; D1384-S1387 PolarHBondContact O-OG 3.47Å; D1384-Q1388 WeakPolarHBondContact O-CG 3.01Å; D1384-Q1388 PolarHBondContact O-N 2.77Å; D1384-Q1388 PolarHBondContact OD2-NE2 2.94Å |
| 1385 | W | 95.4 | Very high | 90.9 | Very high | 1 Ų | 1 | 29.7 Ų | 29.7 | 0% | 0.004 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -54.5 | -42.8 | 172 | -75.9 | -5.1 | 0 | 0 | 0 | 113.6 | L1366 Y1369 L1370 I1377 I1381 L1382 S1387 Q1388 I1389 P1416 L1419 I1479 | L1366-W1385 HydrophobicContact CD1-CD2 4.12Å; L1366-W1385 HydrophobicContact CD1-CE3 3.71Å; L1366-W1385 HydrophobicContact CD1-CH2 4.08Å; L1366-W1385 HydrophobicContact CD1-CZ2 4.44Å; L1366-W1385 HydrophobicContact CD1-CZ3 3.7Å; Y1369-W1385 AromaticContact CD1-CH2 3.61Å; Y1369-W1385 HydrophobicContact CD1-CH2 3.61Å; Y1369-W1385 HydrophobicContact CD1-CZ2 4.11Å; Y1369-W1385 AromaticContact CE1-CH2 3.55Å; Y1369-W1385 HydrophobicContact CE1-CH2 3.55Å; Y1369-W1385 AromaticContact CE1-CZ2 3.79Å; Y1369-W1385 HydrophobicContact CE1-CZ2 3.79Å; L1370-W1385 HydrophobicContact CD2-CE3 4.41Å; L1370-W1385 HydrophobicContact CD2-CZ3 3.72Å; L1370-W1385 HydrophobicContact CG-CZ3 4.46Å; I1377-W1385 HydrophobicContact CD1-CH2 3.88Å; I1377-W1385 HydrophobicContact CD1-CZ3 4.1Å; I1377-W1385 HydrophobicContact CG1-CH2 4.17Å; I1377-W1385 HydrophobicContact CG2-CH2 3.8Å; I1377-W1385 HydrophobicContact CG2-CZ3 3.78Å; I1381-W1385 HydrophobicContact CG2-CD2 3.76Å; I1381-W1385 HydrophobicContact CG2-CE3 4.26Å; I1381-W1385 HydrophobicContact CG2-CG 4.26Å; I1381-W1385 HydrophobicContact CG2-CH2 3.96Å; I1381-W1385 HydrophobicContact CG2-CZ2 3.43Å; I1381-W1385 VanDerWaalsContact CG2-CZ2 3.43Å; I1381-W1385 HydrophobicContact CG2-CZ3 4.34Å; I1381-W1385 VanDerWaalsContact O-CB 3.27Å; I1381-W1385 WeakPolarHBondContact O-CB 3.3Å; I1381-W1385 PolarHBondContact O-N 3.19Å; L1382-W1385 HydrophobicContact CD2-CE3 4.07Å; L1382-W1385 HydrophobicContact CD2-CZ3 3.99Å; W1385-S1387 VanDerWaalsContact C-N 3.31Å; W1385-S1387 PolarHBondContact O-N 3.05Å; W1385-Q1388 PolarHBondContact O-N 3.33Å; W1385-I1389 WeakPolarHBondContact O-CG1 3.3Å; W1385-I1389 PolarHBondContact O-N 3.02Å; W1385-I1389 VanDerWaalsContact O-N 3.07Å; W1385-P1416 PolarHBondContact NE1-O 2.66Å; W1385-L1419 HydrophobicContact CB-CD1 3.49Å; W1385-L1419 VanDerWaalsContact CB-CD1 3.49Å; W1385-L1419 HydrophobicContact CB-CG 4.44Å; W1385-L1419 HydrophobicContact CD2-CD1 4.15Å; W1385-L1419 HydrophobicContact CD2-CD2 4.47Å; W1385-L1419 HydrophobicContact CG-CD1 3.45Å; W1385-L1419 VanDerWaalsContact CG-CD1 3.45Å; W1385-L1419 HydrophobicContact CG-CD2 4.35Å; W1385-L1419 HydrophobicContact CG-CG 3.96Å; W1385-I1479 HydrophobicContact CE3-CG2 4.45Å |
| 1386 | A | 95.5 | Very high | 92 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -60.2 | -43.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | L1382 L1383 D1384 I1389 A1390 Y1472 I1476 F1480 F1540 | L1382-A1386 PolarHBondContact O-N 2.86Å; L1382-A1386 VanDerWaalsContact O-N 3.16Å; L1383-A1386 WeakPolarHBondContact O-CB 3.35Å; L1383-A1386 PolarHBondContact O-N 3.13Å; D1384-A1386 VanDerWaalsContact C-N 3.32Å; D1384-A1386 PolarHBondContact O-N 2.68Å; A1386-I1389 PolarHBondContact O-N 3.17Å; A1386-A1390 PolarHBondContact O-N 2.84Å; A1386-Y1472 PolarHBondContact O-OH 3.15Å; A1386-I1476 HydrophobicContact CB-CD1 3.56Å; A1386-I1476 HydrophobicContact CB-CG1 4.34Å; A1386-I1476 HydrophobicContact CB-CG2 4.45Å; A1386-F1480 HydrophobicContact CB-CZ 4.34Å; A1386-F1540 HydrophobicContact CB-CB 4.28Å; A1386-F1540 HydrophobicContact CB-CD1 3.41Å; A1386-F1540 VanDerWaalsContact CB-CD1 3.41Å; A1386-F1540 HydrophobicContact CB-CE1 3.83Å; A1386-F1540 HydrophobicContact CB-CG 3.81Å |
| 1387 | S | 96 | Very high | 93 | Very high | 8 Ų | 8 | 21.5 Ų | 21.5 | 6% | 0.056 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -65.7 | -39.9 | 175.5 | 85 | 0 | 0 | 0 | 0 | 113.1 | L1383 D1384 W1385 I1389 A1390 D1391 Y1537 | L1383-S1387 PolarHBondContact O-N 3.15Å; D1384-S1387 CarbonylContact O-C 3.57Å; D1384-S1387 WeakPolarHBondContact O-CA 3.27Å; D1384-S1387 WeakPolarHBondContact O-CB 3.47Å; D1384-S1387 PolarHBondContact O-N 2.92Å; D1384-S1387 PolarHBondContact O-OG 3.47Å; W1385-S1387 VanDerWaalsContact C-N 3.31Å; W1385-S1387 PolarHBondContact O-N 3.05Å; S1387-I1389 VanDerWaalsContact C-N 3.35Å; S1387-I1389 PolarHBondContact O-N 3.27Å; S1387-A1390 PolarHBondContact O-N 3.24Å; S1387-D1391 WeakPolarHBondContact O-CB 3.31Å; S1387-D1391 PolarHBondContact O-N 3.2Å; S1387-Y1537 WeakPolarHBondContact O-CD2 3.48Å |
| 1388 | Q | 96.3 | Very high | 93.3 | Very high | 11 Ų | 11 | 23.8 Ų | 23.8 | 5% | 0.051 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -62 | -40.9 | 177.1 | -68.4 | -169.1 | 34.3 | 0 | 0 | 112.1 | H1340 D1384 W1385 D1391 G1392 E1417 | H1340-Q1388 VanDerWaalsContact CE1-CG 3.43Å; H1340-Q1388 WeakPolarHBondContact CE1-CG 3.09Å; H1340-Q1388 PolarHBondContact CE1-OE1 3.17Å; H1340-Q1388 PolarHBondContact ND1-OE1 3.05Å; H1340-Q1388 VanDerWaalsContact ND1-OE1 3.14Å; D1384-Q1388 WeakPolarHBondContact O-CG 3.01Å; D1384-Q1388 PolarHBondContact O-N 2.77Å; D1384-Q1388 PolarHBondContact OD2-NE2 2.94Å; W1385-Q1388 PolarHBondContact O-N 3.33Å; Q1388-D1391 PolarHBondContact O-N 2.94Å; Q1388-G1392 PolarHBondContact O-N 2.82Å; Q1388-E1417 PolarHBondContact NE2-O 2.93Å |
| 1389 | I | 97.3 | Very high | 93.4 | Very high | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.005 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -68.1 | -40.4 | 175.5 | -63.7 | 165 | 0 | 0 | 0 | 110.2 | L1366 W1385 A1386 S1387 D1391 G1392 M1393 L1406 V1411 L1419 I1421 Y1472 T1475 I1479 | L1366-I1389 HydrophobicContact CD2-CD1 4.03Å; W1385-I1389 WeakPolarHBondContact O-CG1 3.3Å; W1385-I1389 PolarHBondContact O-N 3.02Å; W1385-I1389 VanDerWaalsContact O-N 3.07Å; A1386-I1389 PolarHBondContact O-N 3.17Å; S1387-I1389 VanDerWaalsContact C-N 3.35Å; S1387-I1389 PolarHBondContact O-N 3.27Å; I1389-D1391 VanDerWaalsContact C-N 3.34Å; I1389-D1391 PolarHBondContact O-N 2.86Å; I1389-G1392 PolarHBondContact O-N 3.26Å; I1389-M1393 HydrophobicContact CG2-CG 4.43Å; I1389-M1393 WeakPolarHBondContact O-CB 3.46Å; I1389-M1393 VanDerWaalsContact O-CG 3.28Å; I1389-M1393 WeakPolarHBondContact O-CG 3.41Å; I1389-M1393 PolarHBondContact O-N 3.15Å; I1389-L1406 HydrophobicContact CG2-CD1 4.15Å; I1389-L1406 HydrophobicContact CG2-CD2 4.4Å; I1389-V1411 HydrophobicContact CD1-CG1 4.29Å; I1389-V1411 HydrophobicContact CD1-CG2 4.17Å; I1389-V1411 HydrophobicContact CG1-CG1 4.22Å; I1389-V1411 HydrophobicContact CG1-CG2 4.28Å; I1389-L1419 HydrophobicContact CD1-CD1 4.02Å; I1389-L1419 HydrophobicContact CG1-CD1 4.06Å; I1389-I1421 HydrophobicContact CG2-CD1 4.37Å; I1389-Y1472 HydrophobicContact CB-CE2 4.23Å; I1389-Y1472 HydrophobicContact CG2-CD2 3.9Å; I1389-Y1472 HydrophobicContact CG2-CE2 3.96Å; I1389-T1475 HydrophobicContact CD1-CG2 4.29Å; I1389-I1479 HydrophobicContact CD1-CD1 3.6Å |
| 1390 | A | 97.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -63.4 | -38.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | A1386 S1387 M1393 A1394 Y1472 L1536 | A1386-A1390 PolarHBondContact O-N 2.84Å; S1387-A1390 PolarHBondContact O-N 3.24Å; A1390-M1393 PolarHBondContact O-N 3.47Å; A1390-A1394 VanDerWaalsContact O-CB 3.3Å; A1390-A1394 WeakPolarHBondContact O-CB 3.34Å; A1390-A1394 PolarHBondContact O-N 3.46Å; A1390-Y1472 HydrophobicContact CB-CE2 3.82Å; A1390-L1536 HydrophobicContact CB-CB 4.17Å |
| 1391 | D | 97.3 | Very high | 93.6 | Very high | 28 Ų | 28 | 22 Ų | 22 | 15% | 0.15 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -66.4 | -46.2 | 176.6 | -163.1 | 50.7 | 0 | 0 | 0 | 111.7 | H1338 H1340 S1387 Q1388 I1389 M1393 A1394 Y1395 Y1537 | H1338-D1391 IonicContact CE1-OD2 2.83Å; H1338-D1391 PolarHBondContact CE1-OD2 3.26Å; H1338-D1391 VanDerWaalsContact CE1-OD2 3.27Å; H1338-D1391 IonicContact NE2-OD2 3.77Å; H1340-D1391 IonicContact CD2-OD2 3.31Å; S1387-D1391 WeakPolarHBondContact O-CB 3.31Å; S1387-D1391 PolarHBondContact O-N 3.2Å; Q1388-D1391 PolarHBondContact O-N 2.94Å; I1389-D1391 VanDerWaalsContact C-N 3.34Å; I1389-D1391 PolarHBondContact O-N 2.86Å; D1391-M1393 VanDerWaalsContact C-N 3.31Å; D1391-M1393 PolarHBondContact O-N 2.67Å; D1391-A1394 PolarHBondContact O-N 2.79Å; D1391-Y1395 PolarHBondContact O-N 3.05Å; D1391-Y1537 HydrophobicContact CB-CD2 3.61Å; D1391-Y1537 HydrophobicContact CB-CE2 3.65Å |
| 1392 | G | 94.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -58.9 | -40.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113 | Q1388 I1389 Y1395 L1396 | Q1388-G1392 PolarHBondContact O-N 2.82Å; I1389-G1392 PolarHBondContact O-N 3.26Å; G1392-Y1395 WeakPolarHBondContact O-CB 3.4Å; G1392-Y1395 PolarHBondContact O-N 2.89Å; G1392-L1396 WeakPolarHBondContact O-CG 3.41Å; G1392-L1396 PolarHBondContact O-N 2.88Å; G1392-L1396 VanDerWaalsContact O-N 3.1Å |
| 1393 | M | 97 | Very high | 93.6 | Very high | 2 Ų | 2 | 19.3 Ų | 19.3 | 1% | 0.01 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -74.2 | -33 | 176.3 | -70.2 | -59 | -57.3 | 0 | 0 | 113.4 | I1389 A1390 D1391 Y1395 L1396 Q1397 H1403 L1406 I1421 D1468 F1533 | I1389-M1393 HydrophobicContact CG2-CG 4.43Å; I1389-M1393 WeakPolarHBondContact O-CB 3.46Å; I1389-M1393 VanDerWaalsContact O-CG 3.28Å; I1389-M1393 WeakPolarHBondContact O-CG 3.41Å; I1389-M1393 PolarHBondContact O-N 3.15Å; A1390-M1393 PolarHBondContact O-N 3.47Å; D1391-M1393 VanDerWaalsContact C-N 3.31Å; D1391-M1393 PolarHBondContact O-N 2.67Å; M1393-Y1395 VanDerWaalsContact C-N 3.32Å; M1393-L1396 PolarHBondContact O-N 3.05Å; M1393-L1396 HydrophobicContact SD-CD1 3.84Å; M1393-Q1397 WeakPolarHBondContact O-CB 3.27Å; M1393-Q1397 PolarHBondContact O-N 2.96Å; M1393-H1403 HydrophobicContact CE-CB 3.83Å; M1393-H1403 HydrophobicContact SD-CB 4.12Å; M1393-L1406 HydrophobicContact CE-CD2 4.17Å; M1393-L1406 HydrophobicContact CG-CD1 4.4Å; M1393-L1406 HydrophobicContact CG-CD2 3.75Å; M1393-L1406 HydrophobicContact SD-CD1 4.01Å; M1393-L1406 HydrophobicContact SD-CD2 3.85Å; M1393-L1406 HydrophobicContact SD-CG 4.42Å; M1393-I1421 HydrophobicContact CG-CD1 3.84Å; M1393-I1421 HydrophobicContact SD-CD1 3.94Å; M1393-D1468 HydrophobicContact CE-CB 3.69Å; M1393-F1533 HydrophobicContact CB-CB 4.36Å; M1393-F1533 HydrophobicContact CB-CD1 3.37Å; M1393-F1533 HydrophobicContact CB-CD2 3.84Å; M1393-F1533 HydrophobicContact CB-CE1 3.41Å; M1393-F1533 VanDerWaalsContact CB-CE1 3.41Å; M1393-F1533 HydrophobicContact CB-CE2 3.88Å; M1393-F1533 HydrophobicContact CB-CG 3.59Å; M1393-F1533 HydrophobicContact CB-CZ 3.67Å; M1393-F1533 HydrophobicContact CE-CE1 4.44Å; M1393-F1533 HydrophobicContact CE-CE2 3.74Å; M1393-F1533 HydrophobicContact CE-CZ 3.65Å; M1393-F1533 HydrophobicContact CG-CD1 4.27Å; M1393-F1533 HydrophobicContact CG-CE1 3.84Å; M1393-F1533 HydrophobicContact CG-CZ 4Å |
| 1394 | A | 95 | Very high | 93.5 | Very high | 3 Ų | 3 | 20.4 Ų | 20.4 | 3% | 0.025 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -63.5 | -40.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | A1390 D1391 Q1397 S1398 F1533 V1534 | A1390-A1394 VanDerWaalsContact O-CB 3.3Å; A1390-A1394 WeakPolarHBondContact O-CB 3.34Å; A1390-A1394 PolarHBondContact O-N 3.46Å; D1391-A1394 PolarHBondContact O-N 2.79Å; A1394-Q1397 PolarHBondContact O-N 2.88Å; A1394-S1398 WeakPolarHBondContact O-CB 3.43Å; A1394-S1398 PolarHBondContact O-N 2.79Å; A1394-F1533 HydrophobicContact CB-CB 3.79Å; A1394-V1534 HydrophobicContact CB-CG2 4.07Å |
| 1395 | Y | 95.4 | Very high | 93.4 | Very high | 17 Ų | 17 | 18.1 Ų | 18.1 | 7% | 0.067 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -59.1 | -49.6 | 170.4 | 173.8 | -87 | 0 | 0 | 0 | 111.7 | V1336 S1337 H1338 D1391 G1392 M1393 Q1397 S1398 R1399 | V1336-Y1395 HydrophobicContact CG1-CE1 4.24Å; S1337-Y1395 PolarHBondContact N-OH 3.21Å; S1337-Y1395 WeakPolarHBondContact O-CE2 3.45Å; S1337-Y1395 PolarHBondContact O-OH 3.17Å; H1338-Y1395 HydrophobicContact CB-CD1 3.62Å; H1338-Y1395 HydrophobicContact CB-CD2 3.77Å; H1338-Y1395 HydrophobicContact CB-CE1 3.84Å; H1338-Y1395 HydrophobicContact CB-CE2 3.94Å; H1338-Y1395 HydrophobicContact CB-CG 3.59Å; H1338-Y1395 AromaticContact CD2-CD2 3.32Å; H1338-Y1395 WeakPolarHBondContact CD2-CD2 3.41Å; H1338-Y1395 AromaticContact CD2-CG 3.6Å; H1338-Y1395 AromaticContact CG-CD2 3.65Å; H1338-Y1395 AromaticContact CG-CG 3.49Å; H1338-Y1395 VanDerWaalsContact CG-CG 3.49Å; D1391-Y1395 PolarHBondContact O-N 3.05Å; G1392-Y1395 WeakPolarHBondContact O-CB 3.4Å; G1392-Y1395 PolarHBondContact O-N 2.89Å; M1393-Y1395 VanDerWaalsContact C-N 3.32Å; Y1395-Q1397 PolarHBondContact O-N 2.72Å; Y1395-S1398 CarbonylContact O-C 3.41Å; Y1395-S1398 PolarHBondContact O-N 2.8Å; Y1395-S1398 VanDerWaalsContact O-N 3.13Å; Y1395-S1398 PolarHBondContact O-OG 2.79Å; Y1395-R1399 HydrophobicContact CD1-CG 4.21Å; Y1395-R1399 HydrophobicContact CE1-CG 3.72Å; Y1395-R1399 HydrophobicContact CE2-CG 4.24Å; Y1395-R1399 WeakPolarHBondContact O-CG 2.93Å; Y1395-R1399 PolarHBondContact O-N 3.46Å |
| 1396 | L | 92.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -62.5 | -41.7 | -179.9 | -67.6 | 173.6 | 0 | 0 | 0 | 112.1 | V1336 G1392 M1393 S1398 R1399 G1400 I1401 F1424 | V1336-L1396 HydrophobicContact CG1-CD2 4.44Å; V1336-L1396 HydrophobicContact CG2-CD2 3.6Å; G1392-L1396 WeakPolarHBondContact O-CG 3.41Å; G1392-L1396 PolarHBondContact O-N 2.88Å; G1392-L1396 VanDerWaalsContact O-N 3.1Å; M1393-L1396 PolarHBondContact O-N 3.05Å; M1393-L1396 HydrophobicContact SD-CD1 3.84Å; L1396-S1398 PolarHBondContact O-N 3.32Å; L1396-R1399 CarbonylContact O-C 3.47Å; L1396-R1399 PolarHBondContact O-N 3.38Å; L1396-G1400 PolarHBondContact O-N 3.3Å; L1396-I1401 CarbonylContact C-O 3.12Å; L1396-I1401 HydrophobicContact CB-CB 4.31Å; L1396-I1401 HydrophobicContact CD2-CB 4.2Å; L1396-I1401 HydrophobicContact CD2-CD1 4.03Å; L1396-I1401 HydrophobicContact CD2-CG2 4.12Å; L1396-I1401 PolarHBondContact O-N 2.74Å; L1396-F1424 HydrophobicContact CD1-CE1 3.85Å; L1396-F1424 HydrophobicContact CD1-CZ 4.43Å; L1396-F1424 HydrophobicContact CD2-CE1 3.83Å; L1396-F1424 HydrophobicContact CD2-CZ 4.43Å |
| 1397 | Q | 92.1 | Very high | 93.4 | Very high | 58 Ų | 58 | 18 Ų | 18 | 27% | 0.271 | 9% | 0.092 | S | C | . | . | H | α-helix | trans | -56.9 | -47.6 | 170.8 | -179.2 | 175.8 | 2 | 0 | 0 | 111.2 | M1393 A1394 Y1395 R1399 G1400 F1465 F1533 | M1393-Q1397 WeakPolarHBondContact O-CB 3.27Å; M1393-Q1397 PolarHBondContact O-N 2.96Å; A1394-Q1397 PolarHBondContact O-N 2.88Å; Y1395-Q1397 PolarHBondContact O-N 2.72Å; Q1397-R1399 PolarHBondContact O-N 3.36Å; Q1397-R1399 VanDerWaalsContact O-N 3.15Å; Q1397-G1400 PolarHBondContact O-N 2.68Å; Q1397-G1400 VanDerWaalsContact O-N 3.11Å; Q1397-F1465 HydrophobicContact CB-CD1 4.03Å; Q1397-F1465 HydrophobicContact CB-CE1 4.38Å; Q1397-F1465 HydrophobicContact CB-CG 4.37Å; Q1397-F1465 HydrophobicContact CG-CB 4.21Å; Q1397-F1465 HydrophobicContact CG-CD1 3.92Å; Q1397-F1465 HydrophobicContact CG-CD2 4.05Å; Q1397-F1465 HydrophobicContact CG-CE1 4.32Å; Q1397-F1465 HydrophobicContact CG-CE2 4.43Å; Q1397-F1465 HydrophobicContact CG-CG 3.78Å; Q1397-F1533 HydrophobicContact CB-CD2 4.46Å |
| 1398 | S | 88.9 | Confident | 93.3 | Very high | 62 Ų | 62 | 17.7 Ų | 17.7 | 43% | 0.434 | 9% | 0.089 | S | C | . | . | H | α-helix | trans | -64.4 | -15.9 | 177.2 | 81.4 | 0 | 0 | 0 | 0 | 114.4 | A1394 Y1395 L1396 | A1394-S1398 WeakPolarHBondContact O-CB 3.43Å; A1394-S1398 PolarHBondContact O-N 2.79Å; Y1395-S1398 CarbonylContact O-C 3.41Å; Y1395-S1398 PolarHBondContact O-N 2.8Å; Y1395-S1398 VanDerWaalsContact O-N 3.13Å; Y1395-S1398 PolarHBondContact O-OG 2.79Å; L1396-S1398 PolarHBondContact O-N 3.32Å |
| 1399 | R | 87.1 | Confident | 93 | Very high | 131 Ų | 131 | 17.7 Ų | 17.7 | 49% | 0.494 | 9% | 0.089 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | 2.2 | 176.8 | -69.2 | -58.7 | -175.4 | 119.3 | -5.6 | 114.1 | Y1395 L1396 Q1397 I1401 | Y1395-R1399 HydrophobicContact CD1-CG 4.21Å; Y1395-R1399 HydrophobicContact CE1-CG 3.72Å; Y1395-R1399 HydrophobicContact CE2-CG 4.24Å; Y1395-R1399 WeakPolarHBondContact O-CG 2.93Å; Y1395-R1399 PolarHBondContact O-N 3.46Å; L1396-R1399 CarbonylContact O-C 3.47Å; L1396-R1399 PolarHBondContact O-N 3.38Å; Q1397-R1399 PolarHBondContact O-N 3.36Å; Q1397-R1399 VanDerWaalsContact O-N 3.15Å; R1399-I1401 VanDerWaalsContact C-N 3.33Å; R1399-I1401 HydrophobicContact CB-CD1 3.77Å; R1399-I1401 HydrophobicContact CB-CG1 4.07Å |
| 1400 | G | 87.3 | Confident | 92.7 | Very high | 19 Ų | 19 | 18 Ų | 18 | 20% | 0.196 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 71.8 | 26.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | L1396 Q1397 M1429 L1430 | L1396-G1400 PolarHBondContact O-N 3.3Å; Q1397-G1400 PolarHBondContact O-N 2.68Å; Q1397-G1400 VanDerWaalsContact O-N 3.11Å; G1400-M1429 CarbonylContact O-C 3.18Å; G1400-M1429 WeakPolarHBondContact O-CA 3.39Å; G1400-L1430 WeakPolarHBondContact O-CG 3.11Å; G1400-L1430 PolarHBondContact O-N 3.3Å |
| 1401 | I | 89.6 | Confident | 92.6 | Very high | 1 Ų | 1 | 18 Ų | 18 | 1% | 0.005 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 115.5 | -175.8 | -58.1 | 166.8 | 0 | 0 | 0 | 109.5 | V1332 V1336 L1396 R1399 A1427 M1429 | V1332-I1401 HydrophobicContact CG1-CD1 4.35Å; V1332-I1401 HydrophobicContact CG1-CG2 3.84Å; V1336-I1401 HydrophobicContact CG2-CD1 3.74Å; L1396-I1401 CarbonylContact C-O 3.12Å; L1396-I1401 HydrophobicContact CB-CB 4.31Å; L1396-I1401 HydrophobicContact CD2-CB 4.2Å; L1396-I1401 HydrophobicContact CD2-CD1 4.03Å; L1396-I1401 HydrophobicContact CD2-CG2 4.12Å; L1396-I1401 PolarHBondContact O-N 2.74Å; R1399-I1401 VanDerWaalsContact C-N 3.33Å; R1399-I1401 HydrophobicContact CB-CD1 3.77Å; R1399-I1401 HydrophobicContact CB-CG1 4.07Å; I1401-A1427 HydrophobicContact CG2-CB 4.27Å; I1401-M1429 HydrophobicContact CD1-CE 4.33Å; I1401-M1429 HydrophobicContact CG1-CE 4.3Å |
| 1402 | I | 92.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 126.6 | 170.8 | -51.4 | 166.8 | 0 | 0 | 0 | 107.3 | R1404 A1427 K1428 L1430 V1441 F1465 D1468 | I1402-R1404 HydrophobicContact CB-CG 4.14Å; I1402-R1404 HydrophobicContact CG2-CG 3.56Å; I1402-A1427 CarbonylContact O-C 3.43Å; I1402-A1427 WeakPolarHBondContact O-CA 3.08Å; I1402-A1427 WeakPolarHBondContact O-CB 3.22Å; I1402-K1428 PolarHBondContact N-O 3.37Å; I1402-K1428 PolarHBondContact O-N 2.81Å; I1402-L1430 HydrophobicContact CD1-CD2 3.88Å; I1402-V1441 HydrophobicContact CD1-CG2 4.24Å; I1402-F1465 HydrophobicContact CG1-CD1 3.9Å; I1402-F1465 HydrophobicContact CG1-CE1 3.68Å; I1402-F1465 HydrophobicContact CG1-CZ 4.23Å; I1402-D1468 WeakPolarHBondContact CA-OD2 3.3Å; I1402-D1468 WeakPolarHBondContact CG2-OD2 3.43Å |
| 1403 | H | 92.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.091 | C | C | . | . | trans | -78.2 | -38.5 | -174.4 | -164.7 | -78.2 | 0 | 0 | 0 | 113 | M1393 D1405 L1406 I1421 T1422 F1424 A1427 D1468 | M1393-H1403 HydrophobicContact CE-CB 3.83Å; M1393-H1403 HydrophobicContact SD-CB 4.12Å; H1403-D1405 PolarHBondContact O-N 3.05Å; H1403-L1406 PolarHBondContact ND1-N 3.45Å; H1403-I1421 WeakPolarHBondContact NE2-CG2 3.27Å; H1403-T1422 PolarHBondContact CE1-O 2.83Å; H1403-T1422 PolarHBondContact NE2-O 3.16Å; H1403-F1424 AromaticContact CD2-CE1 3.8Å; H1403-A1427 PolarHBondContact O-N 3.49Å; H1403-D1468 PolarHBondContact N-OD2 3.27Å | ||
| 1404 | R | 91.8 | Very high | 91.6 | Very high | 24 Ų | 24 | 19.9 Ų | 19.9 | 9% | 0.091 | 10% | 0.102 | C | C | . | . | S | Bend | trans | 64 | -14.3 | 173.7 | -53.3 | -177.8 | 46.8 | -122.2 | -4.6 | 117.3 | I1402 L1426 Y1463 D1468 | I1402-R1404 HydrophobicContact CB-CG 4.14Å; I1402-R1404 HydrophobicContact CG2-CG 3.56Å; R1404-L1426 HydrophobicContact CB-CB 4.29Å; R1404-L1426 WeakPolarHBondContact CB-O 3.47Å; R1404-L1426 VanDerWaalsContact CD-O 3.24Å; R1404-L1426 WeakPolarHBondContact CD-O 3.14Å; R1404-L1426 PolarHBondContact NH1-O 3Å; R1404-Y1463 HydrophobicContact CB-CD1 3.76Å; R1404-Y1463 HydrophobicContact CB-CE1 3.79Å; R1404-Y1463 HydrophobicContact CG-CD1 3.51Å; R1404-Y1463 HydrophobicContact CG-CE1 4.06Å; R1404-Y1463 HydrophobicContact CG-CG 3.99Å; R1404-Y1463 VanDerWaalsContact NE-CD1 3.31Å; R1404-D1468 WeakPolarHBondContact CA-OD1 3.34Å; R1404-D1468 PolarHBondContact N-OD1 3.01Å |
| 1405 | D | 91 | Very high | 91.2 | Very high | 14 Ų | 14 | 21.6 Ų | 21.6 | 8% | 0.075 | 11% | 0.114 | C | C | . | . | trans | -136.3 | 47.4 | 173.1 | -164.1 | 27.4 | 0 | 0 | 0 | 113.1 | H1403 A1407 R1409 N1410 L1426 P1449 | H1403-D1405 PolarHBondContact O-N 3.05Å; D1405-A1407 PolarHBondContact O-N 3.27Å; D1405-R1409 IonicContact OD1-CZ 2.71Å; D1405-R1409 IonicContact OD1-NE 3.64Å; D1405-R1409 IonicContact OD1-NH2 3.78Å; D1405-R1409 PolarHBondContact OD1-NH2 3.28Å; D1405-R1409 IonicContact OD2-NE 2.79Å; D1405-R1409 IonicContact OD2-NH2 3.61Å; D1405-N1410 VanDerWaalsContact CG-ND2 3.32Å; D1405-N1410 PolarHBondContact O-ND2 3.12Å; D1405-N1410 PolarHBondContact OD2-ND2 3.42Å; D1405-L1426 HydrophobicContact CB-CB 4.14Å; D1405-L1426 HydrophobicContact CB-CD1 3.83Å; D1405-P1449 HydrophobicContact CB-CG 4.35Å; D1405-P1449 WeakPolarHBondContact OD1-CB 3.23Å; D1405-P1449 VanDerWaalsContact OD1-CG 3.25Å; D1405-P1449 WeakPolarHBondContact OD1-CG 3.35Å | ||
| 1406 | L | 94.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.129 | C | C | . | . | trans | -75.1 | 123.5 | 175 | -177 | 66.8 | 0 | 0 | 0 | 110.9 | I1389 M1393 H1403 I1421 A1471 Y1472 T1475 | I1389-L1406 HydrophobicContact CG2-CD1 4.15Å; I1389-L1406 HydrophobicContact CG2-CD2 4.4Å; M1393-L1406 HydrophobicContact CE-CD2 4.17Å; M1393-L1406 HydrophobicContact CG-CD1 4.4Å; M1393-L1406 HydrophobicContact CG-CD2 3.75Å; M1393-L1406 HydrophobicContact SD-CD1 4.01Å; M1393-L1406 HydrophobicContact SD-CD2 3.85Å; M1393-L1406 HydrophobicContact SD-CG 4.42Å; H1403-L1406 PolarHBondContact ND1-N 3.45Å; L1406-I1421 HydrophobicContact CD1-CG2 4.41Å; L1406-A1471 HydrophobicContact CB-CB 4.15Å; L1406-Y1472 HydrophobicContact CD2-CD2 4.27Å; L1406-T1475 PolarHBondContact O-OG1 2.04Å | ||
| 1407 | A | 94.7 | Very high | 90.2 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -165.1 | 163.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | D1405 R1409 N1410 W1452 T1475 | D1405-A1407 PolarHBondContact O-N 3.27Å; A1407-R1409 HydrophobicContact CB-CG 3.66Å; A1407-R1409 VanDerWaalsContact CB-NH1 3.34Å; A1407-R1409 PolarHBondContact O-N 2.96Å; A1407-R1409 VanDerWaalsContact O-N 3.11Å; A1407-N1410 PolarHBondContact O-N 3.29Å; A1407-W1452 HydrophobicContact CB-CD2 4.35Å; A1407-W1452 HydrophobicContact CB-CG 4.4Å; A1407-W1452 HydrophobicContact CB-CZ2 4.36Å; A1407-T1475 WeakPolarHBondContact CA-OG1 3.46Å |
| 1408 | T | 93.8 | Very high | 90.1 | Very high | 1 Ų | 1 | 29.2 Ų | 29.2 | 1% | 0.006 | 16% | 0.155 | C | C | . | . | G | 310 helix | trans | -61.5 | -21.9 | -179.8 | 51 | 0 | 0 | 0 | 0 | 114.8 | L1366 D1367 L1370 N1410 T1475 E1478 I1479 | L1366-T1408 HydrophobicContact CD2-CG2 4.3Å; L1366-T1408 PolarHBondContact N-O 3.03Å; D1367-T1408 WeakPolarHBondContact CB-OG1 3.34Å; D1367-T1408 PolarHBondContact N-O 2.8Å; L1370-T1408 HydrophobicContact CD1-CG2 4.15Å; T1408-N1410 VanDerWaalsContact C-N 3.29Å; T1408-T1475 HydrophobicContact CG2-CG2 3.94Å; T1408-E1478 HydrophobicContact CG2-CB 3.51Å; T1408-E1478 HydrophobicContact CG2-CG 4.46Å; T1408-E1478 PolarHBondContact N-OE2 3.29Å; T1408-E1478 PolarHBondContact OG1-OE2 3.07Å; T1408-I1479 HydrophobicContact CG2-CD1 4.48Å; T1408-I1479 HydrophobicContact CG2-CG1 3.72Å |
| 1409 | R | 90.1 | Very high | 90.4 | Very high | 11 Ų | 11 | 26.3 Ų | 26.3 | 4% | 0.042 | 14% | 0.135 | C | C | . | . | G | 310 helix | trans | -64.2 | -31 | 169.9 | 50.6 | 158.4 | 178.9 | -70.5 | -2.5 | 113.6 | S1365 D1405 A1407 G1828 | S1365-R1409 WeakPolarHBondContact CB-O 3.28Å; D1405-R1409 IonicContact OD1-CZ 2.71Å; D1405-R1409 IonicContact OD1-NE 3.64Å; D1405-R1409 IonicContact OD1-NH2 3.78Å; D1405-R1409 PolarHBondContact OD1-NH2 3.28Å; D1405-R1409 IonicContact OD2-NE 2.79Å; D1405-R1409 IonicContact OD2-NH2 3.61Å; A1407-R1409 HydrophobicContact CB-CG 3.66Å; A1407-R1409 VanDerWaalsContact CB-NH1 3.34Å; A1407-R1409 PolarHBondContact O-N 2.96Å; A1407-R1409 VanDerWaalsContact O-N 3.11Å; R1409-G1828 WeakPolarHBondContact CD-O 3.35Å |
| 1410 | N | 92 | Very high | 90.6 | Very high | 6 Ų | 6 | 21.5 Ų | 21.5 | 3% | 0.032 | 12% | 0.118 | C | C | . | . | G | 310 helix | trans | -106.4 | 24.5 | -170.1 | -66.7 | -0.3 | 0 | 0 | 0 | 110.7 | D1405 A1407 T1408 T1422 D1423 | D1405-N1410 VanDerWaalsContact CG-ND2 3.32Å; D1405-N1410 PolarHBondContact O-ND2 3.12Å; D1405-N1410 PolarHBondContact OD2-ND2 3.42Å; A1407-N1410 PolarHBondContact O-N 3.29Å; T1408-N1410 VanDerWaalsContact C-N 3.29Å; N1410-T1422 PolarHBondContact O-N 3.32Å; N1410-D1423 HydrophobicContact CB-CB 4.47Å |
| 1411 | V | 94.1 | Very high | 91 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 132.4 | 169.6 | -178.4 | 0 | 0 | 0 | 0 | 106.7 | S1365 L1366 I1389 L1419 Q1420 I1421 | S1365-V1411 CarbonylContact C-O 3.49Å; S1365-V1411 WeakPolarHBondContact CA-O 3.27Å; L1366-V1411 HydrophobicContact CB-CB 4.13Å; L1366-V1411 HydrophobicContact CB-CG1 4.3Å; L1366-V1411 HydrophobicContact CD2-CB 4.33Å; L1366-V1411 HydrophobicContact CD2-CG1 4.16Å; L1366-V1411 PolarHBondContact N-O 2.87Å; I1389-V1411 HydrophobicContact CD1-CG1 4.29Å; I1389-V1411 HydrophobicContact CD1-CG2 4.17Å; I1389-V1411 HydrophobicContact CG1-CG1 4.22Å; I1389-V1411 HydrophobicContact CG1-CG2 4.28Å; V1411-L1419 HydrophobicContact CG1-CB 3.89Å; V1411-L1419 HydrophobicContact CG1-CD1 4.07Å; V1411-L1419 HydrophobicContact CG1-CD2 4.46Å; V1411-L1419 HydrophobicContact CG1-CG 4.39Å; V1411-Q1420 CarbonylContact C-O 3.56Å; V1411-Q1420 WeakPolarHBondContact CA-O 3.36Å; V1411-I1421 HydrophobicContact CG2-CG1 4.42Å |
| 1412 | L | 93 | Very high | 91 | Very high | 30 Ų | 30 | 21.7 Ų | 21.7 | 16% | 0.157 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 146.5 | -178.7 | -55.9 | 179 | 0 | 0 | 0 | 110.9 | L1342 V1361 G1364 L1419 Q1420 T1422 | L1342-L1412 HydrophobicContact CD1-CD1 4.35Å; L1342-L1412 HydrophobicContact CD2-CD1 3.85Å; V1361-L1412 HydrophobicContact CB-CB 4.21Å; V1361-L1412 HydrophobicContact CB-CD1 4.03Å; V1361-L1412 HydrophobicContact CG1-CB 3.91Å; V1361-L1412 HydrophobicContact CG2-CB 4.33Å; V1361-L1412 HydrophobicContact CG2-CD1 3.77Å; G1364-L1412 WeakPolarHBondContact O-CA 3.47Å; L1412-L1419 WeakPolarHBondContact O-CA 3.41Å; L1412-Q1420 PolarHBondContact N-O 2.68Å; L1412-Q1420 PolarHBondContact O-N 2.9Å; L1412-T1422 HydrophobicContact CD1-CG2 3.97Å; L1412-T1422 HydrophobicContact CD2-CG2 3.98Å; L1412-T1422 HydrophobicContact CG-CG2 3.64Å |
| 1413 | V | 91.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 103 | 179.3 | -171.7 | 0 | 0 | 0 | 0 | 109.3 | V1361 N1363 G1364 L1366 Y1369 S1415 L1419 | V1361-V1413 VanDerWaalsContact CG1-O 3.26Å; V1361-V1413 WeakPolarHBondContact CG1-O 3.31Å; N1363-V1413 HydrophobicContact CB-CB 4.16Å; N1363-V1413 HydrophobicContact CB-CG1 4.44Å; N1363-V1413 VanDerWaalsContact CB-O 3.31Å; N1363-V1413 WeakPolarHBondContact CB-O 3.29Å; N1363-V1413 PolarHBondContact ND2-O 2.99Å; G1364-V1413 PolarHBondContact O-N 2.87Å; L1366-V1413 HydrophobicContact CB-CG2 4.01Å; L1366-V1413 HydrophobicContact CD1-CG2 3.9Å; Y1369-V1413 HydrophobicContact CD1-CG2 4.49Å; Y1369-V1413 HydrophobicContact CD2-CB 3.94Å; Y1369-V1413 HydrophobicContact CD2-CG1 3.72Å; Y1369-V1413 HydrophobicContact CD2-CG2 4.03Å; Y1369-V1413 HydrophobicContact CE2-CB 4.42Å; Y1369-V1413 HydrophobicContact CE2-CG1 3.72Å; Y1369-V1413 HydrophobicContact CG-CB 4.27Å; Y1369-V1413 HydrophobicContact CG-CG1 4.16Å; Y1369-V1413 HydrophobicContact CG-CG2 3.84Å; V1413-S1415 WeakPolarHBondContact CG1-O 3.47Å; V1413-L1419 HydrophobicContact CB-CD2 4.2Å; V1413-L1419 HydrophobicContact CG1-CD2 4.2Å; V1413-L1419 HydrophobicContact CG2-CD2 3.72Å |
| 1414 | T | 84.7 | Confident | 90.2 | Very high | 41 Ų | 41 | 23.2 Ų | 23.2 | 25% | 0.252 | 12% | 0.123 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | -41.8 | 178.8 | 63.1 | 0 | 0 | 0 | 0 | 111.5 | V1361 N1363 H1418 Q1420 | V1361-T1414 HydrophobicContact CG1-CG2 3.79Å; V1361-T1414 HydrophobicContact CG2-CG2 4.17Å; N1363-T1414 PolarHBondContact ND2-O 2.96Å; T1414-H1418 PolarHBondContact N-O 3.39Å; T1414-H1418 WeakPolarHBondContact OG1-CB 3.45Å; T1414-H1418 PolarHBondContact OG1-CD2 2.8Å; T1414-H1418 PolarHBondContact OG1-O 2.84Å; T1414-Q1420 HydrophobicContact CG2-CG 3.88Å |
| 1415 | S | 84.9 | Confident | 89.5 | Confident | 39 Ų | 39 | 22.8 Ų | 22.8 | 27% | 0.273 | 13% | 0.126 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 170.1 | 166 | 77.3 | 0 | 0 | 0 | 0 | 108.3 | V1413 E1417 H1418 | V1413-S1415 WeakPolarHBondContact CG1-O 3.47Å; S1415-E1417 PolarHBondContact O-N 2.96Å; S1415-E1417 VanDerWaalsContact O-N 3.11Å; S1415-E1417 PolarHBondContact OG-N 3.41Å; S1415-H1418 PolarHBondContact N-O 3.07Å; S1415-H1418 PolarHBondContact O-N 2.82Å; S1415-H1418 VanDerWaalsContact O-N 3.09Å; S1415-H1418 PolarHBondContact OG-N 2.81Å |
| 1416 | P | 83 | Confident | 89 | Confident | 58 Ų | 58 | 23.1 Ų | 23.1 | 38% | 0.377 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -26.6 | 172 | -22.1 | 33.1 | 0 | 0 | 0 | 113 | W1385 | W1385-P1416 PolarHBondContact NE1-O 2.66Š|
| 1417 | E | 86.1 | Confident | 88.6 | Confident | 163 Ų | 163 | 23.9 Ų | 23.9 | 76% | 0.762 | 13% | 0.134 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.6 | -5.9 | -178.2 | -56.3 | 177.2 | 154.3 | 0 | 0 | 113.3 | Q1388 S1415 | Q1388-E1417 PolarHBondContact NE2-O 2.93Å; S1415-E1417 PolarHBondContact O-N 2.96Å; S1415-E1417 VanDerWaalsContact O-N 3.11Å; S1415-E1417 PolarHBondContact OG-N 3.41Å |
| 1418 | H | 89.9 | Confident | 88.1 | Confident | 13 Ų | 13 | 26.2 Ų | 26.2 | 6% | 0.06 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 117.2 | -173.2 | -174.6 | 38.9 | 0 | 0 | 0 | 115.2 | Y1339 H1340 T1414 S1415 Q1420 | Y1339-H1418 AromaticContact CD1-CE1 3.4Å; Y1339-H1418 WeakPolarHBondContact CD1-CE1 3.39Å; Y1339-H1418 AromaticContact CD1-ND1 3.81Å; Y1339-H1418 AromaticContact CD2-CE1 3.84Å; Y1339-H1418 AromaticContact CD2-NE2 3.72Å; Y1339-H1418 AromaticContact CE1-CE1 3.35Å; Y1339-H1418 WeakPolarHBondContact CE1-CE1 3.25Å; Y1339-H1418 AromaticContact CE1-CG 3.91Å; Y1339-H1418 AromaticContact CE1-ND1 3.39Å; Y1339-H1418 WeakPolarHBondContact CE1-ND1 3.39Å; Y1339-H1418 AromaticContact CE1-NE2 3.85Å; Y1339-H1418 AromaticContact CE2-CD2 3.91Å; Y1339-H1418 AromaticContact CE2-CE1 3.8Å; Y1339-H1418 AromaticContact CE2-NE2 3.47Å; Y1339-H1418 WeakPolarHBondContact CE2-NE2 3.46Å; Y1339-H1418 AromaticContact CG-CE1 3.64Å; Y1339-H1418 AromaticContact CZ-CD2 3.65Å; Y1339-H1418 AromaticContact CZ-CE1 3.55Å; Y1339-H1418 AromaticContact CZ-CG 3.79Å; Y1339-H1418 AromaticContact CZ-ND1 3.71Å; Y1339-H1418 AromaticContact CZ-NE2 3.53Å; Y1339-H1418 PolarHBondContact O-CE1 2.77Å; Y1339-H1418 PolarHBondContact O-NE2 3.4Å; H1340-H1418 AromaticContact CE1-CE1 3.71Å; H1340-H1418 AromaticContact CE1-ND1 3.42Å; H1340-H1418 PolarHBondContact CE1-ND1 3.09Å; H1340-H1418 AromaticContact ND1-CE1 3.36Å; H1340-H1418 PolarHBondContact ND1-CE1 3.06Å; H1340-H1418 AromaticContact ND1-ND1 3.33Å; H1340-H1418 PolarHBondContact ND1-ND1 3.22Å; T1414-H1418 PolarHBondContact N-O 3.39Å; T1414-H1418 WeakPolarHBondContact OG1-CB 3.45Å; T1414-H1418 PolarHBondContact OG1-CD2 2.8Å; T1414-H1418 PolarHBondContact OG1-O 2.84Å; S1415-H1418 PolarHBondContact N-O 3.07Å; S1415-H1418 PolarHBondContact O-N 2.82Å; S1415-H1418 VanDerWaalsContact O-N 3.09Å; S1415-H1418 PolarHBondContact OG-N 2.81Å; H1418-Q1420 PolarHBondContact NE2-NE2 3.15Å |
| 1419 | L | 93.7 | Very high | 87.6 | Confident | 2 Ų | 2 | 27.4 Ų | 27.4 | 1% | 0.01 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 148.7 | 175.5 | -59.4 | -171.9 | 0 | 0 | 0 | 113 | H1340 L1366 W1385 I1389 V1411 L1412 V1413 | H1340-L1419 WeakPolarHBondContact CA-O 3.42Å; H1340-L1419 PolarHBondContact ND1-O 2.73Å; L1366-L1419 HydrophobicContact CD1-CD2 4.16Å; L1366-L1419 HydrophobicContact CD2-CD1 3.85Å; W1385-L1419 HydrophobicContact CB-CD1 3.49Å; W1385-L1419 VanDerWaalsContact CB-CD1 3.49Å; W1385-L1419 HydrophobicContact CB-CG 4.44Å; W1385-L1419 HydrophobicContact CD2-CD1 4.15Å; W1385-L1419 HydrophobicContact CD2-CD2 4.47Å; W1385-L1419 HydrophobicContact CG-CD1 3.45Å; W1385-L1419 VanDerWaalsContact CG-CD1 3.45Å; W1385-L1419 HydrophobicContact CG-CD2 4.35Å; W1385-L1419 HydrophobicContact CG-CG 3.96Å; I1389-L1419 HydrophobicContact CD1-CD1 4.02Å; I1389-L1419 HydrophobicContact CG1-CD1 4.06Å; V1411-L1419 HydrophobicContact CG1-CB 3.89Å; V1411-L1419 HydrophobicContact CG1-CD1 4.07Å; V1411-L1419 HydrophobicContact CG1-CD2 4.46Å; V1411-L1419 HydrophobicContact CG1-CG 4.39Å; L1412-L1419 WeakPolarHBondContact O-CA 3.41Å; V1413-L1419 HydrophobicContact CB-CD2 4.2Å; V1413-L1419 HydrophobicContact CG1-CD2 4.2Å; V1413-L1419 HydrophobicContact CG2-CD2 3.72Å |
| 1420 | Q | 92.8 | Very high | 87.3 | Confident | 29 Ų | 29 | 27.8 Ų | 27.8 | 14% | 0.136 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 125.5 | 173.6 | -62.2 | -166.2 | -44.8 | 0 | 0 | 112.8 | Y1339 H1340 V1411 L1412 T1414 H1418 | Y1339-Q1420 PolarHBondContact O-NE2 3.3Å; H1340-Q1420 CarbonylContact O-C 3.16Å; H1340-Q1420 WeakPolarHBondContact O-CA 3.43Å; V1411-Q1420 CarbonylContact C-O 3.56Å; V1411-Q1420 WeakPolarHBondContact CA-O 3.36Å; L1412-Q1420 PolarHBondContact N-O 2.68Å; L1412-Q1420 PolarHBondContact O-N 2.9Å; T1414-Q1420 HydrophobicContact CG2-CG 3.88Å; H1418-Q1420 PolarHBondContact NE2-NE2 3.15Å |
| 1421 | I | 94.7 | Very high | 86.2 | Confident | 2 Ų | 2 | 31.5 Ų | 31.5 | 1% | 0.01 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 141.8 | 175.3 | -58.5 | 172.5 | 0 | 0 | 0 | 110.4 | H1340 L1342 I1389 M1393 H1403 L1406 V1411 | H1340-I1421 WeakPolarHBondContact O-CG1 3.43Å; H1340-I1421 PolarHBondContact O-N 3.1Å; L1342-I1421 PolarHBondContact N-O 2.89Å; I1389-I1421 HydrophobicContact CG2-CD1 4.37Å; M1393-I1421 HydrophobicContact CG-CD1 3.84Å; M1393-I1421 HydrophobicContact SD-CD1 3.94Å; H1403-I1421 WeakPolarHBondContact NE2-CG2 3.27Å; L1406-I1421 HydrophobicContact CD1-CG2 4.41Å; V1411-I1421 HydrophobicContact CG2-CG1 4.42Å |
| 1422 | T | 90.3 | Very high | 84.8 | Confident | 22 Ų | 22 | 34 Ų | 34 | 14% | 0.135 | 19% | 0.187 | C | C | . | . | trans | -150 | -176.7 | -175.2 | -160.9 | 0 | 0 | 0 | 0 | 113.4 | L1342 H1403 N1410 L1412 | L1342-T1422 VanDerWaalsContact CD2-OG1 3.26Å; L1342-T1422 WeakPolarHBondContact CD2-OG1 3.25Å; H1403-T1422 PolarHBondContact CE1-O 2.83Å; H1403-T1422 PolarHBondContact NE2-O 3.16Å; N1410-T1422 PolarHBondContact O-N 3.32Å; L1412-T1422 HydrophobicContact CD1-CG2 3.97Å; L1412-T1422 HydrophobicContact CD2-CG2 3.98Å; L1412-T1422 HydrophobicContact CG-CG2 3.64Å | ||
| 1423 | D | 84.3 | Confident | 83.5 | Confident | 32 Ų | 32 | 38.6 Ų | 38.6 | 17% | 0.171 | 21% | 0.208 | C | C | . | . | trans | 55 | 66.8 | -173.4 | -156.8 | -6.1 | 0 | 0 | 0 | 113.9 | K1312 N1410 G1425 | K1312-D1423 IonicContact NZ-OD1 2.82Å; K1312-D1423 PolarHBondContact NZ-OD1 3.04Å; N1410-D1423 HydrophobicContact CB-CB 4.47Å; D1423-G1425 PolarHBondContact O-N 2.92Å; D1423-G1425 VanDerWaalsContact O-N 3.11Å; D1423-G1425 PolarHBondContact OD1-N 3.21Å | ||
| 1424 | F | 83.8 | Confident | 82.4 | Confident | 1 Ų | 1 | 44.2 Ų | 44.2 | 0% | 0.004 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | -74.7 | 11.4 | 175.3 | -64.5 | -88.4 | 0 | 0 | 0 | 113 | E1329 V1332 M1333 V1336 C1341 L1396 H1403 L1426 A1427 | E1329-F1424 HydrophobicContact CG-CB 4.05Å; V1332-F1424 HydrophobicContact CB-CB 4.42Å; V1332-F1424 HydrophobicContact CG1-CB 3.96Å; V1332-F1424 HydrophobicContact CG1-CD1 3.55Å; V1332-F1424 HydrophobicContact CG1-CE1 4.32Å; V1332-F1424 HydrophobicContact CG1-CG 3.96Å; M1333-F1424 HydrophobicContact CG-CB 3.93Å; M1333-F1424 HydrophobicContact CG-CD2 3.5Å; M1333-F1424 HydrophobicContact CG-CE2 4.31Å; M1333-F1424 HydrophobicContact CG-CG 3.96Å; M1333-F1424 HydrophobicContact SD-CD2 4.22Å; V1336-F1424 HydrophobicContact CG1-CZ 4.26Å; V1336-F1424 HydrophobicContact CG2-CE1 4.26Å; V1336-F1424 HydrophobicContact CG2-CZ 4.4Å; C1341-F1424 HydrophobicContact CB-CZ 4.38Å; L1396-F1424 HydrophobicContact CD1-CE1 3.85Å; L1396-F1424 HydrophobicContact CD1-CZ 4.43Å; L1396-F1424 HydrophobicContact CD2-CE1 3.83Å; L1396-F1424 HydrophobicContact CD2-CZ 4.43Å; H1403-F1424 AromaticContact CD2-CE1 3.8Å; F1424-L1426 PolarHBondContact O-N 2.81Å; F1424-L1426 VanDerWaalsContact O-N 3.12Å; F1424-A1427 HydrophobicContact CB-CB 3.96Å; F1424-A1427 HydrophobicContact CD1-CB 3.93Å; F1424-A1427 HydrophobicContact CG-CB 4.45Å; F1424-A1427 VanDerWaalsContact O-CB 3.32Å; F1424-A1427 WeakPolarHBondContact O-CB 3.33Å; F1424-A1427 PolarHBondContact O-N 2.98Å |
| 1425 | G | 76 | Confident | 81.7 | Confident | 14 Ų | 14 | 44 Ų | 44 | 14% | 0.144 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -66.1 | -11.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | F1187 E1329 D1423 | F1187-G1425 WeakPolarHBondContact CE2-O 3.27Å; F1187-G1425 WeakPolarHBondContact CZ-O 3.47Å; E1329-G1425 PolarHBondContact OE1-N 3.24Å; E1329-G1425 WeakPolarHBondContact OE2-CA 3.29Å; D1423-G1425 PolarHBondContact O-N 2.92Å; D1423-G1425 VanDerWaalsContact O-N 3.11Å; D1423-G1425 PolarHBondContact OD1-N 3.21Å |
| 1426 | L | 81.2 | Confident | 80.8 | Confident | 22 Ų | 22 | 44.3 Ų | 44.3 | 12% | 0.115 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | -111.4 | -2.4 | 166.9 | -78.9 | 170.8 | 0 | 0 | 0 | 113.3 | F1187 R1404 D1405 F1424 | F1187-L1426 HydrophobicContact CE2-CG 4.07Å; F1187-L1426 HydrophobicContact CZ-CD2 3.96Å; F1187-L1426 HydrophobicContact CZ-CG 3.95Å; R1404-L1426 HydrophobicContact CB-CB 4.29Å; R1404-L1426 WeakPolarHBondContact CB-O 3.47Å; R1404-L1426 VanDerWaalsContact CD-O 3.24Å; R1404-L1426 WeakPolarHBondContact CD-O 3.14Å; R1404-L1426 PolarHBondContact NH1-O 3Å; D1405-L1426 HydrophobicContact CB-CB 4.14Å; D1405-L1426 HydrophobicContact CB-CD1 3.83Å; F1424-L1426 PolarHBondContact O-N 2.81Å; F1424-L1426 VanDerWaalsContact O-N 3.12Å |
| 1427 | A | 85.6 | Confident | 80.2 | Confident | 15 Ų | 15 | 48.3 Ų | 48.3 | 12% | 0.124 | 25% | 0.246 | C | C | . | . | trans | -68.8 | 153.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | V1332 I1401 I1402 H1403 F1424 | V1332-A1427 HydrophobicContact CG1-CB 4.03Å; V1332-A1427 HydrophobicContact CG2-CB 4.43Å; I1401-A1427 HydrophobicContact CG2-CB 4.27Å; I1402-A1427 CarbonylContact O-C 3.43Å; I1402-A1427 WeakPolarHBondContact O-CA 3.08Å; I1402-A1427 WeakPolarHBondContact O-CB 3.22Å; H1403-A1427 PolarHBondContact O-N 3.49Å; F1424-A1427 HydrophobicContact CB-CB 3.96Å; F1424-A1427 HydrophobicContact CD1-CB 3.93Å; F1424-A1427 HydrophobicContact CG-CB 4.45Å; F1424-A1427 VanDerWaalsContact O-CB 3.32Å; F1424-A1427 WeakPolarHBondContact O-CB 3.33Å; F1424-A1427 PolarHBondContact O-N 2.98Å | ||
| 1428 | K | 84.9 | Confident | 79.4 | Confident | 49 Ų | 49 | 47.1 Ų | 47.1 | 21% | 0.213 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 124.5 | -178.9 | 170.2 | 61.1 | 171.9 | 129.5 | 0 | 109.6 | I1402 E1435 V1441 | I1402-K1428 PolarHBondContact N-O 3.37Å; I1402-K1428 PolarHBondContact O-N 2.81Å; K1428-E1435 WeakPolarHBondContact CE-OE1 3.27Å; K1428-E1435 IonicContact NZ-OE1 2.77Å; K1428-E1435 PolarHBondContact NZ-OE1 3.33Å; K1428-E1435 IonicContact NZ-OE2 3.48Å; K1428-E1435 PolarHBondContact NZ-OE2 2.89Å; K1428-V1441 HydrophobicContact CG-CB 4.34Å; K1428-V1441 HydrophobicContact CG-CG1 4.2Å; K1428-V1441 HydrophobicContact CG-CG2 3.85Å |
| 1429 | M | 83.1 | Confident | 78.7 | Confident | 26 Ų | 26 | 50 Ų | 50 | 13% | 0.128 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 135.9 | 168.3 | -168.7 | 174.3 | -69.4 | 0 | 0 | 109.2 | S1335 G1400 I1401 E1431 | S1335-M1429 WeakPolarHBondContact OG-CE 3.41Å; G1400-M1429 CarbonylContact O-C 3.18Å; G1400-M1429 WeakPolarHBondContact O-CA 3.39Å; I1401-M1429 HydrophobicContact CD1-CE 4.33Å; I1401-M1429 HydrophobicContact CG1-CE 4.3Å; M1429-E1431 HydrophobicContact CB-CG 4.25Å; M1429-E1431 HydrophobicContact CG-CG 4.23Å; M1429-E1431 PolarHBondContact O-N 3.1Å |
| 1430 | L | 82.8 | Confident | 78.1 | Confident | 19 Ų | 19 | 53.4 Ų | 53.4 | 10% | 0.099 | 27% | 0.266 | C | S | . | . | trans | -75.8 | 113.7 | 170.7 | -57.6 | 175.9 | 0 | 0 | 0 | 108.2 | G1400 I1402 E1435 V1441 F1465 | G1400-L1430 WeakPolarHBondContact O-CG 3.11Å; G1400-L1430 PolarHBondContact O-N 3.3Å; I1402-L1430 HydrophobicContact CD1-CD2 3.88Å; L1430-E1435 HydrophobicContact CB-CB 4.13Å; L1430-E1435 HydrophobicContact CD2-CB 3.92Å; L1430-V1441 HydrophobicContact CD2-CG2 3.47Å; L1430-V1441 VanDerWaalsContact CD2-CG2 3.47Å; L1430-F1465 HydrophobicContact CD1-CE2 3.89Å; L1430-F1465 HydrophobicContact CD1-CZ 3.62Å; L1430-F1465 HydrophobicContact CG-CZ 4.5Å | ||
| 1431 | E | 70.1 | Confident | 77.6 | Confident | 85 Ų | 85 | 52.6 Ų | 52.6 | 40% | 0.397 | 26% | 0.264 | S | S | . | . | trans | -114.6 | -40.5 | -169.8 | -69.6 | -174.2 | -134.6 | 0 | 0 | 113.1 | Q1157 K1331 M1429 E1435 | Q1157-E1431 PolarHBondContact NE2-O 3Å; Q1157-E1431 VanDerWaalsContact NE2-O 3.09Å; K1331-E1431 IonicContact NZ-OE1 2.7Å; K1331-E1431 PolarHBondContact NZ-OE1 2.85Å; K1331-E1431 IonicContact NZ-OE2 2.65Å; K1331-E1431 PolarHBondContact NZ-OE2 2.8Å; M1429-E1431 HydrophobicContact CB-CG 4.25Å; M1429-E1431 HydrophobicContact CG-CG 4.23Å; M1429-E1431 PolarHBondContact O-N 3.1Å; E1431-E1435 PolarHBondContact N-OE2 2.91Å | ||
| 1432 | S | 63.6 | Low | 76.8 | Confident | 51 Ų | 51 | 57.8 Ų | 57.8 | 36% | 0.357 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -77.2 | 154.4 | 173.8 | 82 | 0 | 0 | 0 | 0 | 111.1 | E1434 E1435 A1436 | S1432-E1434 PolarHBondContact O-N 3.3Å; S1432-E1434 PolarHBondContact OG-N 3.48Å; S1432-E1435 PolarHBondContact N-OE2 2.86Å; S1432-E1435 PolarHBondContact O-N 3.14Å; S1432-E1435 WeakPolarHBondContact OG-CG 3.26Å; S1432-E1435 PolarHBondContact OG-N 3.01Å; S1432-A1436 WeakPolarHBondContact O-CB 3.47Å; S1432-A1436 PolarHBondContact O-N 3.17Å |
| 1433 | E | 67.2 | Low | 75.8 | Confident | 127 Ų | 127 | 58.1 Ų | 58.1 | 59% | 0.593 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -58.4 | -29.1 | 171.3 | -76.7 | -162 | -170.9 | 0 | 0 | 112.2 | K1437 | E1433-K1437 VanDerWaalsContact O-CB 3.22Å; E1433-K1437 WeakPolarHBondContact O-CB 3.22Å; E1433-K1437 VanDerWaalsContact O-CD 3.25Å; E1433-K1437 WeakPolarHBondContact O-CD 3.46Å; E1433-K1437 WeakPolarHBondContact O-CG 3.42Å; E1433-K1437 PolarHBondContact O-N 2.86Å; E1433-K1437 WeakPolarHBondContact OE2-CE 3.42Å; E1433-K1437 IonicContact OE2-NZ 2.68Å; E1433-K1437 PolarHBondContact OE2-NZ 3.43Å |
| 1434 | E | 68.6 | Low | 74.4 | Confident | 119 Ų | 119 | 61.3 Ų | 61.3 | 56% | 0.556 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -74.3 | -44 | 178.2 | -58.8 | -169 | 160 | 0 | 0 | 112.3 | S1432 A1436 K1437 R1438 | S1432-E1434 PolarHBondContact O-N 3.3Å; S1432-E1434 PolarHBondContact OG-N 3.48Å; E1434-A1436 VanDerWaalsContact C-N 3.28Å; E1434-A1436 PolarHBondContact O-N 3.22Å; E1434-K1437 PolarHBondContact O-N 2.82Å; E1434-R1438 VanDerWaalsContact O-CB 3.23Å; E1434-R1438 WeakPolarHBondContact O-CB 3.4Å; E1434-R1438 VanDerWaalsContact O-CG 3.3Å; E1434-R1438 WeakPolarHBondContact O-CG 3.31Å; E1434-R1438 PolarHBondContact O-N 2.71Å |
| 1435 | E | 70.1 | Confident | 72.9 | Confident | 37 Ų | 37 | 66 Ų | 66 | 17% | 0.173 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -57.5 | -44.3 | 171.7 | -75 | -177.1 | 151 | 0 | 0 | 110.1 | K1428 L1430 E1431 S1432 N1439 V1441 | K1428-E1435 WeakPolarHBondContact CE-OE1 3.27Å; K1428-E1435 IonicContact NZ-OE1 2.77Å; K1428-E1435 PolarHBondContact NZ-OE1 3.33Å; K1428-E1435 IonicContact NZ-OE2 3.48Å; K1428-E1435 PolarHBondContact NZ-OE2 2.89Å; L1430-E1435 HydrophobicContact CB-CB 4.13Å; L1430-E1435 HydrophobicContact CD2-CB 3.92Å; E1431-E1435 PolarHBondContact N-OE2 2.91Å; S1432-E1435 PolarHBondContact N-OE2 2.86Å; S1432-E1435 PolarHBondContact O-N 3.14Å; S1432-E1435 WeakPolarHBondContact OG-CG 3.26Å; S1432-E1435 PolarHBondContact OG-N 3.01Å; E1435-N1439 WeakPolarHBondContact O-CA 3.45Å; E1435-N1439 PolarHBondContact O-N 2.04Å; E1435-V1441 HydrophobicContact CG-CG2 4.17Å |
| 1436 | A | 65.8 | Low | 71.9 | Confident | 44 Ų | 44 | 68.2 Ų | 68.2 | 36% | 0.364 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -71.1 | -34.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | S1432 E1434 | S1432-A1436 WeakPolarHBondContact O-CB 3.47Å; S1432-A1436 PolarHBondContact O-N 3.17Å; E1434-A1436 VanDerWaalsContact C-N 3.28Å; E1434-A1436 PolarHBondContact O-N 3.22Å |
| 1437 | K | 69.2 | Low | 71 | Confident | 142 Ų | 142 | 72 Ų | 72 | 62% | 0.617 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -73.7 | -40.2 | 175 | -74.6 | 162.6 | -166.2 | 167.7 | 0 | 111.9 | E1433 E1434 | E1433-K1437 VanDerWaalsContact O-CB 3.22Å; E1433-K1437 WeakPolarHBondContact O-CB 3.22Å; E1433-K1437 VanDerWaalsContact O-CD 3.25Å; E1433-K1437 WeakPolarHBondContact O-CD 3.46Å; E1433-K1437 WeakPolarHBondContact O-CG 3.42Å; E1433-K1437 PolarHBondContact O-N 2.86Å; E1433-K1437 WeakPolarHBondContact OE2-CE 3.42Å; E1433-K1437 IonicContact OE2-NZ 2.68Å; E1433-K1437 PolarHBondContact OE2-NZ 3.43Å; E1434-K1437 PolarHBondContact O-N 2.82Å |
| 1438 | R | 69.3 | Low | 70.4 | Confident | 138 Ų | 138 | 73.8 Ų | 73.8 | 52% | 0.521 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -76.9 | -29 | 178.9 | -67.5 | 172.2 | 171 | 173.3 | -7.9 | 111.7 | E1434 E1440 E1746 | E1434-R1438 VanDerWaalsContact O-CB 3.23Å; E1434-R1438 WeakPolarHBondContact O-CB 3.4Å; E1434-R1438 VanDerWaalsContact O-CG 3.3Å; E1434-R1438 WeakPolarHBondContact O-CG 3.31Å; E1434-R1438 PolarHBondContact O-N 2.71Å; R1438-E1440 HydrophobicContact CB-CB 4.39Å; R1438-E1440 WeakPolarHBondContact O-CG 3.32Å; R1438-E1440 PolarHBondContact O-N 3.44Å; R1438-E1746 IonicContact NH2-OE2 2.71Å |
| 1439 | N | 75.4 | Confident | 70.4 | Confident | 75 Ų | 75 | 71.5 Ų | 71.5 | 40% | 0.401 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.8 | 23.8 | -169.5 | -62.5 | -80.3 | 0 | 0 | 0 | 113.6 | E1435 S1464 F1465 | E1435-N1439 WeakPolarHBondContact O-CA 3.45Å; E1435-N1439 PolarHBondContact O-N 2.04Å; N1439-S1464 WeakPolarHBondContact O-CB 3.24Å; N1439-F1465 HydrophobicContact CB-CD2 4.11Å; N1439-F1465 HydrophobicContact CB-CE2 3.91Å; N1439-F1465 WeakPolarHBondContact OD1-CE2 3.19Å |
| 1440 | E | 80.9 | Confident | 70.6 | Confident | 72 Ų | 72 | 72.7 Ų | 72.7 | 34% | 0.336 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 150.2 | -171.7 | -59.1 | -158.2 | 139.9 | 0 | 0 | 111.8 | R1438 I1462 Y1463 | R1438-E1440 HydrophobicContact CB-CB 4.39Å; R1438-E1440 WeakPolarHBondContact O-CG 3.32Å; R1438-E1440 PolarHBondContact O-N 3.44Å; E1440-I1462 HydrophobicContact CB-CG2 4.16Å; E1440-I1462 HydrophobicContact CG-CG2 4.23Å; E1440-Y1463 CarbonylContact C-O 3.41Å; E1440-Y1463 VanDerWaalsContact CA-O 3.3Å; E1440-Y1463 WeakPolarHBondContact CA-O 3.5Å |
| 1441 | V | 81.7 | Confident | 71 | Confident | 13 Ų | 13 | 71.9 Ų | 71.9 | 8% | 0.079 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 127.3 | 174.8 | -173.8 | 0 | 0 | 0 | 0 | 109.8 | I1402 K1428 L1430 E1435 V1443 Y1463 | I1402-V1441 HydrophobicContact CD1-CG2 4.24Å; K1428-V1441 HydrophobicContact CG-CB 4.34Å; K1428-V1441 HydrophobicContact CG-CG1 4.2Å; K1428-V1441 HydrophobicContact CG-CG2 3.85Å; L1430-V1441 HydrophobicContact CD2-CG2 3.47Å; L1430-V1441 VanDerWaalsContact CD2-CG2 3.47Å; E1435-V1441 HydrophobicContact CG-CG2 4.17Å; V1441-V1443 HydrophobicContact CG1-CG2 4.13Å; V1441-Y1463 PolarHBondContact N-O 3.13Å; V1441-Y1463 PolarHBondContact O-N 2.86Å |
| 1442 | I | 79 | Confident | 72.2 | Confident | 111 Ų | 111 | 68 Ų | 68 | 57% | 0.569 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 119.5 | 174.4 | -58.6 | 173.2 | 0 | 0 | 0 | 108.6 | I1462 | I1442-I1462 HydrophobicContact CG1-CG1 4.05Å |
| 1443 | V | 68.6 | Low | 73.5 | Confident | 29 Ų | 29 | 66 Ų | 66 | 18% | 0.176 | 35% | 0.353 | C | S | . | . | trans | -106.4 | 95.2 | -176.9 | -177.2 | 0 | 0 | 0 | 0 | 111.2 | V1441 S1445 R1461 Y1463 | V1441-V1443 HydrophobicContact CG1-CG2 4.13Å; V1443-S1445 VanDerWaalsContact C-N 3.28Å; V1443-S1445 WeakPolarHBondContact CG1-O 3.47Å; V1443-S1445 PolarHBondContact O-N 2.87Å; V1443-R1461 PolarHBondContact N-O 3.13Å; V1443-R1461 WeakPolarHBondContact O-CD 3.05Å; V1443-Y1463 HydrophobicContact CB-CD2 3.93Å; V1443-Y1463 HydrophobicContact CB-CE2 3.98Å; V1443-Y1463 HydrophobicContact CG2-CD2 3.7Å; V1443-Y1463 HydrophobicContact CG2-CE2 4.18Å | ||
| 1444 | C | 56.4 | Low | 74.8 | Confident | 98 Ų | 98 | 60 Ų | 60 | 66% | 0.662 | 33% | 0.325 | S | S | * | . | trans | -66.2 | -21.3 | -172.5 | -62.9 | 0 | 0 | 0 | 0 | 114.7 | R1461 | C1444-R1461 PolarHBondContact O-NH1 2.89Š| ||
| 1445 | S | 51.1 | Low | 75.9 | Confident | 100 Ų | 100 | 55 Ų | 55 | 70% | 0.699 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -152.3 | 150.2 | 175.3 | 68.8 | 0 | 0 | 0 | 0 | 112.8 | V1443 | V1443-S1445 VanDerWaalsContact C-N 3.28Å; V1443-S1445 WeakPolarHBondContact CG1-O 3.47Å; V1443-S1445 PolarHBondContact O-N 2.87Å |
| 1446 | G | 56.1 | Low | 76.9 | Confident | 61 Ų | 61 | 54 Ų | 54 | 63% | 0.629 | 30% | 0.299 | S | S | * | . | trans | 157.4 | 172.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1447 | R | 62.2 | Low | 78 | Confident | 102 Ų | 102 | 52.3 Ų | 52.3 | 39% | 0.385 | 28% | 0.284 | S | S | . | . | trans | -82.8 | 142.6 | 162.3 | -66.7 | 171.6 | 177.8 | 129.4 | -25.8 | 108.1 | A1186 | A1186-R1447 VanDerWaalsContact O-CZ 3.22Å; A1186-R1447 PolarHBondContact O-NH1 2.9Å; A1186-R1447 PolarHBondContact O-NH2 2.93Å | ||
| 1448 | V | 72.8 | Confident | 78.8 | Confident | 51 Ų | 51 | 46.4 Ų | 46.4 | 31% | 0.309 | 26% | 0.258 | S | S | . | . | trans | -137.1 | 142.4 | -174.2 | -58.4 | 0 | 0 | 0 | 0 | 112.8 | I1450 L1453 Y1463 | V1448-I1450 VanDerWaalsContact C-N 3.34Å; V1448-I1450 HydrophobicContact CG2-CG1 3.96Å; V1448-I1450 PolarHBondContact O-N 3.35Å; V1448-L1453 HydrophobicContact CB-CD1 3.98Å; V1448-L1453 HydrophobicContact CG2-CD1 3.85Å; V1448-Y1463 VanDerWaalsContact CG1-OH 3.23Å; V1448-Y1463 WeakPolarHBondContact CG1-OH 3.41Å | ||
| 1449 | P | 84.9 | Confident | 79.5 | Confident | 2 Ų | 2 | 42.7 Ų | 42.7 | 1% | 0.013 | 25% | 0.251 | C | S | . | . | trans | -83.1 | 69.8 | -177.2 | 34.9 | -39.6 | 0 | 0 | 0 | 112.2 | D1405 R1451 W1452 L1453 | D1405-P1449 HydrophobicContact CB-CG 4.35Å; D1405-P1449 WeakPolarHBondContact OD1-CB 3.23Å; D1405-P1449 VanDerWaalsContact OD1-CG 3.25Å; D1405-P1449 WeakPolarHBondContact OD1-CG 3.35Å; P1449-R1451 PolarHBondContact O-N 2.94Å; P1449-W1452 HydrophobicContact CB-CE3 3.97Å; P1449-W1452 PolarHBondContact O-N 2.86Å; P1449-L1453 HydrophobicContact CG-CD2 3.94Å | ||
| 1450 | I | 87.8 | Confident | 79.8 | Confident | 51 Ų | 51 | 45.2 Ų | 45.2 | 26% | 0.262 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -41.9 | -36.7 | -166.7 | -62.6 | 171.4 | 0 | 0 | 0 | 116 | V1448 W1452 L1453 L1458 T1492 V1495 | V1448-I1450 VanDerWaalsContact C-N 3.34Å; V1448-I1450 HydrophobicContact CG2-CG1 3.96Å; V1448-I1450 PolarHBondContact O-N 3.35Å; I1450-W1452 VanDerWaalsContact C-N 3.33Å; I1450-W1452 PolarHBondContact O-N 3.13Å; I1450-L1453 HydrophobicContact CG1-CD1 4.49Å; I1450-L1453 PolarHBondContact O-N 2.77Å; I1450-L1458 HydrophobicContact CG2-CD2 4.24Å; I1450-T1492 HydrophobicContact CB-CG2 3.6Å; I1450-T1492 HydrophobicContact CD1-CG2 3.79Å; I1450-T1492 HydrophobicContact CG1-CG2 4.25Å; I1450-T1492 HydrophobicContact CG2-CG2 3.59Å; I1450-V1495 HydrophobicContact CG2-CB 4.37Å; I1450-V1495 HydrophobicContact CG2-CG1 4.28Å |
| 1451 | R | 91 | Very high | 79.9 | Confident | 1 Ų | 1 | 47.2 Ų | 47.2 | 0% | 0.004 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -77.6 | -11.4 | -177.7 | -67.3 | 167.3 | -179.4 | -81.1 | -16.3 | 115.4 | P1449 P1486 F1487 I1490 T1492 V1495 A1826 | P1449-R1451 PolarHBondContact O-N 2.94Å; R1451-P1486 HydrophobicContact CB-CB 4.33Å; R1451-P1486 WeakPolarHBondContact CD-O 3.16Å; R1451-P1486 PolarHBondContact NH1-O 3.16Å; R1451-F1487 HydrophobicContact CB-CD2 4.4Å; R1451-F1487 PolarHBondContact NH1-O 2.92Å; R1451-F1487 WeakPolarHBondContact O-CE2 3.48Å; R1451-I1490 PolarHBondContact NH2-O 3.26Å; R1451-T1492 PolarHBondContact NE-OG1 2.54Å; R1451-T1492 PolarHBondContact NH2-OG1 3.11Å; R1451-V1495 HydrophobicContact CG-CG1 4.46Å; R1451-V1495 HydrophobicContact CG-CG2 4.3Å; R1451-A1826 HydrophobicContact CG-CB 4.06Å |
| 1452 | W | 93.9 | Very high | 80.2 | Confident | 3 Ų | 3 | 48.1 Ų | 48.1 | 1% | 0.011 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -110.8 | 0.6 | 176.2 | -60.7 | -105.3 | 0 | 0 | 0 | 112 | A1407 P1449 I1450 A1471 V1474 E1478 P1486 A1826 | A1407-W1452 HydrophobicContact CB-CD2 4.35Å; A1407-W1452 HydrophobicContact CB-CG 4.4Å; A1407-W1452 HydrophobicContact CB-CZ2 4.36Å; P1449-W1452 HydrophobicContact CB-CE3 3.97Å; P1449-W1452 PolarHBondContact O-N 2.86Å; I1450-W1452 VanDerWaalsContact C-N 3.33Å; I1450-W1452 PolarHBondContact O-N 3.13Å; W1452-A1471 HydrophobicContact CB-CB 4.13Å; W1452-V1474 HydrophobicContact CG-CB 4.42Å; W1452-V1474 HydrophobicContact CG-CG1 3.99Å; W1452-E1478 VanDerWaalsContact CZ2-OE1 3.31Å; W1452-E1478 WeakPolarHBondContact CZ2-OE1 3.42Å; W1452-E1478 PolarHBondContact NE1-OE2 2.83Å; W1452-P1486 HydrophobicContact CZ2-CG 3.87Å; W1452-A1826 HydrophobicContact CZ3-CB 4.17Å |
| 1453 | L | 92.2 | Very high | 80.7 | Confident | 11 Ų | 11 | 43.1 Ų | 43.1 | 6% | 0.058 | 24% | 0.243 | C | C | . | . | trans | -80.1 | 143.5 | -178.5 | -60.4 | -175 | 0 | 0 | 0 | 112.7 | V1448 P1449 I1450 T1457 L1458 Y1463 W1470 | V1448-L1453 HydrophobicContact CB-CD1 3.98Å; V1448-L1453 HydrophobicContact CG2-CD1 3.85Å; P1449-L1453 HydrophobicContact CG-CD2 3.94Å; I1450-L1453 HydrophobicContact CG1-CD1 4.49Å; I1450-L1453 PolarHBondContact O-N 2.77Å; L1453-T1457 HydrophobicContact CD1-CG2 4.32Å; L1453-T1457 HydrophobicContact CD2-CG2 3.98Å; L1453-L1458 HydrophobicContact CB-CD1 4.45Å; L1453-L1458 HydrophobicContact CB-CD2 3.99Å; L1453-L1458 HydrophobicContact CB-CG 3.88Å; L1453-L1458 HydrophobicContact CD1-CD2 3.97Å; L1453-Y1463 HydrophobicContact CD2-CE1 4.09Å; L1453-W1470 PolarHBondContact O-NE1 2.87Å | ||
| 1454 | A | 93.9 | Very high | 81.8 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 24% | 0.236 | C | C | . | . | trans | -80.8 | 165.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | E1456 T1457 L1458 T1467 W1470 | A1454-E1456 VanDerWaalsContact C-N 3.33Å; A1454-E1456 VanDerWaalsContact CB-OE2 3.25Å; A1454-E1456 WeakPolarHBondContact CB-OE2 3.33Å; A1454-E1456 PolarHBondContact O-N 3.29Å; A1454-T1457 PolarHBondContact O-N 3.35Å; A1454-T1457 VanDerWaalsContact O-N 3.09Å; A1454-L1458 WeakPolarHBondContact O-CG 3.14Å; A1454-L1458 PolarHBondContact O-N 3.09Å; A1454-T1467 HydrophobicContact CB-CG2 4.14Å; A1454-W1470 HydrophobicContact CB-CB 3.77Å; A1454-W1470 HydrophobicContact CB-CD2 3.8Å; A1454-W1470 HydrophobicContact CB-CE3 3.98Å; A1454-W1470 HydrophobicContact CB-CG 3.71Å | ||
| 1455 | C | 91.2 | Very high | 83.5 | Confident | 14 Ų | 14 | 38 Ų | 38 | 10% | 0.095 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -53.4 | -45.4 | -179.1 | -65 | 0 | 0 | 0 | 0 | 113.2 | T1457 L1458 T1459 W1470 L1500 | C1455-T1457 VanDerWaalsContact C-N 3.33Å; C1455-T1457 PolarHBondContact O-N 2.76Å; C1455-L1458 PolarHBondContact O-N 3.04Å; C1455-T1459 WeakPolarHBondContact O-CB 3.33Å; C1455-T1459 WeakPolarHBondContact O-CG2 3.36Å; C1455-T1459 PolarHBondContact O-N 2.97Å; C1455-T1459 PolarHBondContact O-OG1 3.23Å; C1455-W1470 VanDerWaalsContact SG-CH2 3.51Å; C1455-L1500 HydrophobicContact CB-CD2 3.82Å |
| 1456 | E | 90.7 | Very high | 85.6 | Confident | 17 Ų | 17 | 35.4 Ų | 35.4 | 8% | 0.079 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -66.7 | -32 | 179.2 | 65.3 | -85 | -153.4 | 0 | 0 | 112.7 | A1454 T1459 H1460 R1461 I1462 T1467 P1527 R1530 | A1454-E1456 VanDerWaalsContact C-N 3.33Å; A1454-E1456 VanDerWaalsContact CB-OE2 3.25Å; A1454-E1456 WeakPolarHBondContact CB-OE2 3.33Å; A1454-E1456 PolarHBondContact O-N 3.29Å; E1456-T1459 WeakPolarHBondContact CA-OG1 3.38Å; E1456-T1459 PolarHBondContact O-OG1 3.29Å; E1456-H1460 WeakPolarHBondContact O-CA 3.05Å; E1456-H1460 WeakPolarHBondContact O-CB 3.25Å; E1456-H1460 PolarHBondContact O-N 2.83Å; E1456-R1461 PolarHBondContact O-N 3.34Å; E1456-I1462 HydrophobicContact CG-CB 4.43Å; E1456-I1462 HydrophobicContact CG-CG2 4.4Å; E1456-T1467 HydrophobicContact CG-CG2 3.79Å; E1456-T1467 VanDerWaalsContact OE1-CG2 3.23Å; E1456-T1467 WeakPolarHBondContact OE1-CG2 3.33Å; E1456-P1527 HydrophobicContact CG-CG 4.38Å; E1456-P1527 WeakPolarHBondContact OE1-CG 3.3Å; E1456-R1530 IonicContact OE1-CZ 2.69Å; E1456-R1530 IonicContact OE1-NH1 3.61Å; E1456-R1530 PolarHBondContact OE1-NH1 2.82Å; E1456-R1530 IonicContact OE1-NH2 3.9Å; E1456-R1530 PolarHBondContact OE1-NH2 3.24Å; E1456-R1530 IonicContact OE2-CZ 3.43Å; E1456-R1530 IonicContact OE2-NH1 2.74Å; E1456-R1530 PolarHBondContact OE2-NH1 2.82Å; E1456-R1530 IonicContact OE2-NH2 3.21Å; E1456-R1530 PolarHBondContact OE2-NH2 2.84Å |
| 1457 | T | 90.4 | Very high | 87.5 | Confident | 8 Ų | 8 | 32.8 Ų | 32.8 | 5% | 0.049 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -76.1 | -38.8 | 175.5 | -41.1 | 0 | 0 | 0 | 0 | 111.4 | L1453 A1454 C1455 T1459 R1461 I1462 Y1463 T1467 | L1453-T1457 HydrophobicContact CD1-CG2 4.32Å; L1453-T1457 HydrophobicContact CD2-CG2 3.98Å; A1454-T1457 PolarHBondContact O-N 3.35Å; A1454-T1457 VanDerWaalsContact O-N 3.09Å; C1455-T1457 VanDerWaalsContact C-N 3.33Å; C1455-T1457 PolarHBondContact O-N 2.76Å; T1457-T1459 VanDerWaalsContact C-N 3.29Å; T1457-T1459 PolarHBondContact O-N 3.38Å; T1457-R1461 WeakPolarHBondContact O-CA 3.37Å; T1457-R1461 PolarHBondContact O-N 3.25Å; T1457-I1462 WeakPolarHBondContact CA-O 3.28Å; T1457-I1462 VanDerWaalsContact CB-O 3.29Å; T1457-I1462 WeakPolarHBondContact CB-O 3.5Å; T1457-I1462 WeakPolarHBondContact CG2-O 3.36Å; T1457-I1462 PolarHBondContact OG1-O 3.28Å; T1457-Y1463 HydrophobicContact CG2-CD1 4.03Å; T1457-Y1463 HydrophobicContact CG2-CD2 3.97Å; T1457-Y1463 HydrophobicContact CG2-CE1 3.64Å; T1457-Y1463 HydrophobicContact CG2-CE2 3.53Å; T1457-Y1463 HydrophobicContact CG2-CG 4.21Å; T1457-T1467 VanDerWaalsContact OG1-CG2 3.27Å; T1457-T1467 WeakPolarHBondContact OG1-CG2 3.41Å |
| 1458 | L | 86.3 | Confident | 89.1 | Confident | 17 Ų | 17 | 28 Ų | 28 | 9% | 0.089 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -68.4 | -26.2 | 176.4 | -70.8 | 165.5 | 0 | 0 | 0 | 113.1 | I1450 L1453 A1454 C1455 K1496 V1499 | I1450-L1458 HydrophobicContact CG2-CD2 4.24Å; L1453-L1458 HydrophobicContact CB-CD1 4.45Å; L1453-L1458 HydrophobicContact CB-CD2 3.99Å; L1453-L1458 HydrophobicContact CB-CG 3.88Å; L1453-L1458 HydrophobicContact CD1-CD2 3.97Å; A1454-L1458 WeakPolarHBondContact O-CG 3.14Å; A1454-L1458 PolarHBondContact O-N 3.09Å; C1455-L1458 PolarHBondContact O-N 3.04Å; L1458-K1496 HydrophobicContact CB-CG 4.33Å; L1458-K1496 HydrophobicContact CD2-CB 4.18Å; L1458-K1496 HydrophobicContact CD2-CG 4.48Å; L1458-K1496 VanDerWaalsContact O-CE 3.3Å; L1458-K1496 WeakPolarHBondContact O-CE 3.45Å; L1458-K1496 PolarHBondContact O-NZ 2.82Å; L1458-V1499 HydrophobicContact CD1-CB 4.05Å; L1458-V1499 HydrophobicContact CD1-CG1 3.73Å |
| 1459 | T | 83.1 | Confident | 90.2 | Very high | 60 Ų | 60 | 25.6 Ų | 25.6 | 37% | 0.368 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -95.8 | -59 | 179 | 45.7 | 0 | 0 | 0 | 0 | 112.7 | C1455 E1456 T1457 L1500 | C1455-T1459 WeakPolarHBondContact O-CB 3.33Å; C1455-T1459 WeakPolarHBondContact O-CG2 3.36Å; C1455-T1459 PolarHBondContact O-N 2.97Å; C1455-T1459 PolarHBondContact O-OG1 3.23Å; E1456-T1459 WeakPolarHBondContact CA-OG1 3.38Å; E1456-T1459 PolarHBondContact O-OG1 3.29Å; T1457-T1459 VanDerWaalsContact C-N 3.29Å; T1457-T1459 PolarHBondContact O-N 3.38Å; T1459-L1500 HydrophobicContact CG2-CD1 3.67Å; T1459-L1500 HydrophobicContact CG2-CD2 3.71Å; T1459-L1500 HydrophobicContact CG2-CG 4.37Å |
| 1460 | H | 82 | Confident | 90.8 | Very high | 128 Ų | 128 | 25.5 Ų | 25.5 | 59% | 0.593 | 12% | 0.122 | S | C | * | . | H | α-helix | trans | -109 | -2.7 | -167.8 | -54.2 | 107.7 | 0 | 0 | 0 | 114.3 | E1456 I1462 | E1456-H1460 WeakPolarHBondContact O-CA 3.05Å; E1456-H1460 WeakPolarHBondContact O-CB 3.25Å; E1456-H1460 PolarHBondContact O-N 2.83Å; H1460-I1462 HydrophobicContact CB-CD1 3.79Å; H1460-I1462 HydrophobicContact CB-CG1 4Å; H1460-I1462 PolarHBondContact O-N 2.98Å |
| 1461 | R | 83.2 | Confident | 91.3 | Very high | 115 Ų | 115 | 23.3 Ų | 23.3 | 43% | 0.434 | 11% | 0.112 | S | C | . | . | trans | 60.7 | 21.8 | -174.1 | -49.2 | -176.5 | -175.3 | -175 | 0.7 | 114.4 | V1443 C1444 E1456 T1457 | V1443-R1461 PolarHBondContact N-O 3.13Å; V1443-R1461 WeakPolarHBondContact O-CD 3.05Å; C1444-R1461 PolarHBondContact O-NH1 2.89Å; E1456-R1461 PolarHBondContact O-N 3.34Å; T1457-R1461 WeakPolarHBondContact O-CA 3.37Å; T1457-R1461 PolarHBondContact O-N 3.25Å | ||
| 1462 | I | 86.9 | Confident | 91.6 | Very high | 31 Ų | 31 | 23.3 Ų | 23.3 | 16% | 0.159 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 133.6 | 170.3 | -67.5 | 163.7 | 0 | 0 | 0 | 109.1 | E1440 I1442 E1456 T1457 H1460 | E1440-I1462 HydrophobicContact CB-CG2 4.16Å; E1440-I1462 HydrophobicContact CG-CG2 4.23Å; I1442-I1462 HydrophobicContact CG1-CG1 4.05Å; E1456-I1462 HydrophobicContact CG-CB 4.43Å; E1456-I1462 HydrophobicContact CG-CG2 4.4Å; T1457-I1462 WeakPolarHBondContact CA-O 3.28Å; T1457-I1462 VanDerWaalsContact CB-O 3.29Å; T1457-I1462 WeakPolarHBondContact CB-O 3.5Å; T1457-I1462 WeakPolarHBondContact CG2-O 3.36Å; T1457-I1462 PolarHBondContact OG1-O 3.28Å; H1460-I1462 HydrophobicContact CB-CD1 3.79Å; H1460-I1462 HydrophobicContact CB-CG1 4Å; H1460-I1462 PolarHBondContact O-N 2.98Å |
| 1463 | Y | 89.9 | Confident | 91.7 | Very high | 6 Ų | 6 | 23.2 Ų | 23.2 | 2% | 0.024 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 134.3 | 168.4 | -76.3 | -88.7 | 0 | 0 | 0 | 109.3 | R1404 E1440 V1441 V1443 V1448 L1453 T1457 | R1404-Y1463 HydrophobicContact CB-CD1 3.76Å; R1404-Y1463 HydrophobicContact CB-CE1 3.79Å; R1404-Y1463 HydrophobicContact CG-CD1 3.51Å; R1404-Y1463 HydrophobicContact CG-CE1 4.06Å; R1404-Y1463 HydrophobicContact CG-CG 3.99Å; R1404-Y1463 VanDerWaalsContact NE-CD1 3.31Å; E1440-Y1463 CarbonylContact C-O 3.41Å; E1440-Y1463 VanDerWaalsContact CA-O 3.3Å; E1440-Y1463 WeakPolarHBondContact CA-O 3.5Å; V1441-Y1463 PolarHBondContact N-O 3.13Å; V1441-Y1463 PolarHBondContact O-N 2.86Å; V1443-Y1463 HydrophobicContact CB-CD2 3.93Å; V1443-Y1463 HydrophobicContact CB-CE2 3.98Å; V1443-Y1463 HydrophobicContact CG2-CD2 3.7Å; V1443-Y1463 HydrophobicContact CG2-CE2 4.18Å; V1448-Y1463 VanDerWaalsContact CG1-OH 3.23Å; V1448-Y1463 WeakPolarHBondContact CG1-OH 3.41Å; L1453-Y1463 HydrophobicContact CD2-CE1 4.09Å; T1457-Y1463 HydrophobicContact CG2-CD1 4.03Å; T1457-Y1463 HydrophobicContact CG2-CD2 3.97Å; T1457-Y1463 HydrophobicContact CG2-CE1 3.64Å; T1457-Y1463 HydrophobicContact CG2-CE2 3.53Å; T1457-Y1463 HydrophobicContact CG2-CG 4.21Å |
| 1464 | S | 91.6 | Very high | 92 | Very high | 4 Ų | 4 | 22.7 Ų | 22.7 | 3% | 0.028 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 170.5 | -179.6 | 77.7 | 0 | 0 | 0 | 0 | 110.8 | N1439 K1466 T1467 D1468 | N1439-S1464 WeakPolarHBondContact O-CB 3.24Å; S1464-K1466 PolarHBondContact O-N 3.01Å; S1464-K1466 PolarHBondContact OG-N 2.57Å; S1464-K1466 VanDerWaalsContact OG-N 3.16Å; S1464-T1467 PolarHBondContact N-OG1 2.97Å; S1464-T1467 WeakPolarHBondContact O-CA 3.33Å; S1464-T1467 WeakPolarHBondContact O-CB 3.41Å; S1464-T1467 PolarHBondContact O-N 2.93Å; S1464-T1467 PolarHBondContact O-OG1 3.19Å; S1464-T1467 PolarHBondContact OG-N 2.84Å; S1464-D1468 PolarHBondContact O-N 3.1Å; S1464-D1468 VanDerWaalsContact O-N 3.16Å |
| 1465 | F | 93.2 | Very high | 92.1 | Very high | 16 Ų | 16 | 22.7 Ų | 22.7 | 7% | 0.07 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -57.5 | -29.9 | 171.6 | -51.3 | -61.2 | 0 | 0 | 0 | 112.4 | Q1397 I1402 L1430 N1439 T1467 D1468 V1469 | Q1397-F1465 HydrophobicContact CB-CD1 4.03Å; Q1397-F1465 HydrophobicContact CB-CE1 4.38Å; Q1397-F1465 HydrophobicContact CB-CG 4.37Å; Q1397-F1465 HydrophobicContact CG-CB 4.21Å; Q1397-F1465 HydrophobicContact CG-CD1 3.92Å; Q1397-F1465 HydrophobicContact CG-CD2 4.05Å; Q1397-F1465 HydrophobicContact CG-CE1 4.32Å; Q1397-F1465 HydrophobicContact CG-CE2 4.43Å; Q1397-F1465 HydrophobicContact CG-CG 3.78Å; I1402-F1465 HydrophobicContact CG1-CD1 3.9Å; I1402-F1465 HydrophobicContact CG1-CE1 3.68Å; I1402-F1465 HydrophobicContact CG1-CZ 4.23Å; L1430-F1465 HydrophobicContact CD1-CE2 3.89Å; L1430-F1465 HydrophobicContact CD1-CZ 3.62Å; L1430-F1465 HydrophobicContact CG-CZ 4.5Å; N1439-F1465 HydrophobicContact CB-CD2 4.11Å; N1439-F1465 HydrophobicContact CB-CE2 3.91Å; N1439-F1465 WeakPolarHBondContact OD1-CE2 3.19Å; F1465-T1467 VanDerWaalsContact C-N 3.33Å; F1465-D1468 PolarHBondContact O-N 2.84Å; F1465-V1469 WeakPolarHBondContact O-CG2 3.2Å; F1465-V1469 PolarHBondContact O-N 2.93Å |
| 1466 | K | 95 | Very high | 92.4 | Very high | 45 Ų | 45 | 22.1 Ų | 22.1 | 20% | 0.196 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -71.1 | -26.6 | 174.4 | -56.8 | -59.2 | -160.9 | 119.5 | 0 | 112.4 | S1464 W1470 P1527 D1528 R1530 | S1464-K1466 PolarHBondContact O-N 3.01Å; S1464-K1466 PolarHBondContact OG-N 2.57Å; S1464-K1466 VanDerWaalsContact OG-N 3.16Å; K1466-W1470 PolarHBondContact O-N 3.19Å; K1466-P1527 HydrophobicContact CB-CB 3.68Å; K1466-P1527 VanDerWaalsContact CD-O 3.22Å; K1466-P1527 WeakPolarHBondContact CD-O 3.28Å; K1466-P1527 WeakPolarHBondContact CE-O 3.3Å; K1466-P1527 HydrophobicContact CG-CB 4.04Å; K1466-P1527 WeakPolarHBondContact CG-O 3.41Å; K1466-P1527 PolarHBondContact NZ-O 3.07Å; K1466-D1528 VanDerWaalsContact NZ-C 3.32Å; K1466-D1528 PolarHBondContact NZ-O 3.27Å; K1466-R1530 PolarHBondContact NZ-O 3.3Å; K1466-R1530 WeakPolarHBondContact O-CD 3.49Å; K1466-R1530 PolarHBondContact O-NH1 3.09Å |
| 1467 | T | 94.6 | Very high | 92.7 | Very high | 6 Ų | 6 | 22 Ų | 22 | 4% | 0.037 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -72.1 | -35.8 | 170.4 | 69.4 | 0 | 0 | 0 | 0 | 111.8 | A1454 E1456 T1457 S1464 F1465 V1469 W1470 A1471 | A1454-T1467 HydrophobicContact CB-CG2 4.14Å; E1456-T1467 HydrophobicContact CG-CG2 3.79Å; E1456-T1467 VanDerWaalsContact OE1-CG2 3.23Å; E1456-T1467 WeakPolarHBondContact OE1-CG2 3.33Å; T1457-T1467 VanDerWaalsContact OG1-CG2 3.27Å; T1457-T1467 WeakPolarHBondContact OG1-CG2 3.41Å; S1464-T1467 PolarHBondContact N-OG1 2.97Å; S1464-T1467 WeakPolarHBondContact O-CA 3.33Å; S1464-T1467 WeakPolarHBondContact O-CB 3.41Å; S1464-T1467 PolarHBondContact O-N 2.93Å; S1464-T1467 PolarHBondContact O-OG1 3.19Å; S1464-T1467 PolarHBondContact OG-N 2.84Å; F1465-T1467 VanDerWaalsContact C-N 3.33Å; T1467-V1469 VanDerWaalsContact C-N 3.35Å; T1467-W1470 WeakPolarHBondContact O-CB 2.71Å; T1467-W1470 PolarHBondContact O-N 2.88Å; T1467-A1471 PolarHBondContact O-N 2.6Å; T1467-A1471 VanDerWaalsContact O-N 3.16Å |
| 1468 | D | 95.9 | Very high | 92.9 | Very high | 2 Ų | 2 | 21.7 Ų | 21.7 | 1% | 0.011 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -68.2 | -34.3 | 172.4 | -76.3 | -23.1 | 0 | 0 | 0 | 111.8 | M1393 I1402 H1403 R1404 S1464 F1465 W1470 A1471 Y1472 F1533 | M1393-D1468 HydrophobicContact CE-CB 3.69Å; I1402-D1468 WeakPolarHBondContact CA-OD2 3.3Å; I1402-D1468 WeakPolarHBondContact CG2-OD2 3.43Å; H1403-D1468 PolarHBondContact N-OD2 3.27Å; R1404-D1468 WeakPolarHBondContact CA-OD1 3.34Å; R1404-D1468 PolarHBondContact N-OD1 3.01Å; S1464-D1468 PolarHBondContact O-N 3.1Å; S1464-D1468 VanDerWaalsContact O-N 3.16Å; F1465-D1468 PolarHBondContact O-N 2.84Å; D1468-W1470 VanDerWaalsContact C-N 3.3Å; D1468-W1470 PolarHBondContact O-N 2.8Å; D1468-A1471 CarbonylContact O-C 3.54Å; D1468-A1471 WeakPolarHBondContact O-CB 3.41Å; D1468-A1471 PolarHBondContact O-N 3.37Å; D1468-Y1472 WeakPolarHBondContact O-CB 3.27Å; D1468-Y1472 PolarHBondContact O-N 3.11Å; D1468-F1533 HydrophobicContact CB-CE2 3.89Å; D1468-F1533 HydrophobicContact CB-CZ 3.9Å |
| 1469 | V | 97.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -61.4 | -37.5 | 172.8 | 165.1 | 0 | 0 | 0 | 0 | 111.8 | F1465 T1467 Y1472 G1473 C1522 R1530 P1531 F1533 L1536 | F1465-V1469 WeakPolarHBondContact O-CG2 3.2Å; F1465-V1469 PolarHBondContact O-N 2.93Å; T1467-V1469 VanDerWaalsContact C-N 3.35Å; V1469-Y1472 WeakPolarHBondContact O-CB 3.08Å; V1469-Y1472 PolarHBondContact O-N 2.9Å; V1469-G1473 PolarHBondContact O-N 2.91Å; V1469-C1522 HydrophobicContact CG1-CB 4.08Å; V1469-R1530 HydrophobicContact CG1-CB 3.9Å; V1469-P1531 HydrophobicContact CG1-CG 4.42Å; V1469-P1531 WeakPolarHBondContact CG1-O 3.44Å; V1469-P1531 WeakPolarHBondContact CG2-O 3.32Å; V1469-F1533 HydrophobicContact CB-CZ 4.4Å; V1469-F1533 HydrophobicContact CG2-CD1 4.42Å; V1469-F1533 HydrophobicContact CG2-CD2 3.99Å; V1469-F1533 HydrophobicContact CG2-CE1 4.1Å; V1469-F1533 HydrophobicContact CG2-CE2 3.64Å; V1469-F1533 HydrophobicContact CG2-CG 4.37Å; V1469-F1533 HydrophobicContact CG2-CZ 3.7Å; V1469-L1536 HydrophobicContact CG1-CD1 4.07Å; V1469-L1536 HydrophobicContact CG2-CD1 4.17Å |
| 1470 | W | 97.3 | Very high | 93.8 | Very high | 1 Ų | 1 | 18.1 Ų | 18.1 | 0% | 0.004 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -63 | -47 | 172.7 | -178.8 | -69.9 | 0 | 0 | 0 | 111.2 | L1453 A1454 C1455 K1466 T1467 D1468 Y1472 G1473 V1474 V1499 C1522 W1523 | L1453-W1470 PolarHBondContact O-NE1 2.87Å; A1454-W1470 HydrophobicContact CB-CB 3.77Å; A1454-W1470 HydrophobicContact CB-CD2 3.8Å; A1454-W1470 HydrophobicContact CB-CE3 3.98Å; A1454-W1470 HydrophobicContact CB-CG 3.71Å; C1455-W1470 VanDerWaalsContact SG-CH2 3.51Å; K1466-W1470 PolarHBondContact O-N 3.19Å; T1467-W1470 WeakPolarHBondContact O-CB 2.71Å; T1467-W1470 PolarHBondContact O-N 2.88Å; D1468-W1470 VanDerWaalsContact C-N 3.3Å; D1468-W1470 PolarHBondContact O-N 2.8Å; W1470-Y1472 VanDerWaalsContact C-N 3.29Å; W1470-Y1472 PolarHBondContact O-N 2.87Å; W1470-G1473 PolarHBondContact O-N 2.84Å; W1470-V1474 PolarHBondContact O-N 2.84Å; W1470-V1474 VanDerWaalsContact O-N 3.09Å; W1470-V1499 HydrophobicContact CH2-CG1 3.7Å; W1470-V1499 HydrophobicContact CZ2-CG1 3.49Å; W1470-V1499 VanDerWaalsContact CZ2-CG1 3.49Å; W1470-V1499 HydrophobicContact CZ2-CG2 4.44Å; W1470-C1522 WeakPolarHBondContact CA-O 3.38Å; W1470-W1523 HydrophobicContact CD2-CB 4.3Å; W1470-W1523 AromaticContact CD2-CD1 3.7Å; W1470-W1523 HydrophobicContact CD2-CG 4.36Å; W1470-W1523 AromaticContact CE2-CD1 3.82Å; W1470-W1523 HydrophobicContact CE3-CB 4.03Å; W1470-W1523 AromaticContact CG-CD1 3.82Å; W1470-W1523 HydrophobicContact CH2-CB 4.07Å; W1470-W1523 HydrophobicContact CZ2-CB 4.33Å; W1470-W1523 HydrophobicContact CZ3-CB 3.92Å; W1470-W1523 WeakPolarHBondContact CZ3-O 3.49Å; W1470-W1523 AromaticContact NE1-CD1 4Å; W1470-W1523 PolarHBondContact O-NE1 3.3Å |
| 1471 | A | 96.9 | Very high | 94.3 | Very high | 5 Ų | 5 | 13 Ų | 13 | 4% | 0.041 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -62.4 | -34.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L1406 W1452 T1467 D1468 V1474 T1475 | L1406-A1471 HydrophobicContact CB-CB 4.15Å; W1452-A1471 HydrophobicContact CB-CB 4.13Å; T1467-A1471 PolarHBondContact O-N 2.6Å; T1467-A1471 VanDerWaalsContact O-N 3.16Å; D1468-A1471 CarbonylContact O-C 3.54Å; D1468-A1471 WeakPolarHBondContact O-CB 3.41Å; D1468-A1471 PolarHBondContact O-N 3.37Å; A1471-V1474 PolarHBondContact O-N 2.8Å; A1471-T1475 WeakPolarHBondContact O-CB 3.48Å; A1471-T1475 PolarHBondContact O-N 2.92Å; A1471-T1475 PolarHBondContact O-OG1 3.3Å |
| 1472 | Y | 98 | Very high | 94.7 | Very high | 1 Ų | 1 | 8.7 Ų | 8.7 | 0% | 0.004 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -63 | -47.5 | 171.2 | 174.1 | -87.2 | 0 | 0 | 0 | 111.3 | A1386 I1389 A1390 L1406 D1468 V1469 W1470 V1474 T1475 I1476 F1533 L1536 F1540 | A1386-Y1472 PolarHBondContact O-OH 3.15Å; I1389-Y1472 HydrophobicContact CB-CE2 4.23Å; I1389-Y1472 HydrophobicContact CG2-CD2 3.9Å; I1389-Y1472 HydrophobicContact CG2-CE2 3.96Å; A1390-Y1472 HydrophobicContact CB-CE2 3.82Å; L1406-Y1472 HydrophobicContact CD2-CD2 4.27Å; D1468-Y1472 WeakPolarHBondContact O-CB 3.27Å; D1468-Y1472 PolarHBondContact O-N 3.11Å; V1469-Y1472 WeakPolarHBondContact O-CB 3.08Å; V1469-Y1472 PolarHBondContact O-N 2.9Å; W1470-Y1472 VanDerWaalsContact C-N 3.29Å; W1470-Y1472 PolarHBondContact O-N 2.87Å; Y1472-V1474 PolarHBondContact O-N 3.23Å; Y1472-T1475 CarbonylContact O-C 3.59Å; Y1472-T1475 WeakPolarHBondContact O-CA 3.02Å; Y1472-T1475 WeakPolarHBondContact O-CB 3.41Å; Y1472-T1475 PolarHBondContact O-N 3.23Å; Y1472-I1476 HydrophobicContact CD1-CG1 3.9Å; Y1472-I1476 HydrophobicContact CD2-CD1 4.33Å; Y1472-I1476 HydrophobicContact CD2-CG1 4.35Å; Y1472-I1476 HydrophobicContact CE1-CD1 4.11Å; Y1472-I1476 HydrophobicContact CE1-CG1 3.37Å; Y1472-I1476 HydrophobicContact CE2-CD1 3.71Å; Y1472-I1476 HydrophobicContact CE2-CG1 3.91Å; Y1472-I1476 HydrophobicContact CG-CG1 4.34Å; Y1472-I1476 WeakPolarHBondContact O-CG1 3.43Å; Y1472-I1476 PolarHBondContact O-N 3.19Å; Y1472-F1533 HydrophobicContact CD2-CD1 4.44Å; Y1472-F1533 AromaticContact CD2-CE1 3.83Å; Y1472-F1533 HydrophobicContact CD2-CE1 3.83Å; Y1472-F1533 AromaticContact CG-CE1 3.76Å; Y1472-F1533 HydrophobicContact CG-CE1 3.76Å; Y1472-L1536 HydrophobicContact CD1-CD1 3.79Å; Y1472-L1536 HydrophobicContact CD1-CD2 4.28Å; Y1472-L1536 HydrophobicContact CE1-CB 4.25Å; Y1472-L1536 HydrophobicContact CE1-CD1 3.96Å; Y1472-L1536 HydrophobicContact CE1-CD2 3.84Å; Y1472-L1536 HydrophobicContact CE1-CG 4.24Å; Y1472-L1536 HydrophobicContact CG-CD1 4.45Å; Y1472-F1540 HydrophobicContact CE1-CD2 4.38Å; Y1472-F1540 AromaticContact CE1-CE2 3.84Å; Y1472-F1540 HydrophobicContact CE1-CE2 3.84Å; Y1472-F1540 WeakPolarHBondContact OH-CD2 3.03Å; Y1472-F1540 VanDerWaalsContact OH-CE2 3.3Å; Y1472-F1540 WeakPolarHBondContact OH-CE2 3.37Å |
| 1473 | G | 96.9 | Very high | 94.6 | Very high | 1 Ų | 1 | 7.3 Ų | 7.3 | 1% | 0.01 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -53.6 | -42.9 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | V1469 W1470 W1477 W1523 | V1469-G1473 PolarHBondContact O-N 2.91Å; W1470-G1473 PolarHBondContact O-N 2.84Å; G1473-W1477 PolarHBondContact O-N 3.25Å; G1473-W1523 VanDerWaalsContact C-CZ2 3.43Å; G1473-W1523 VanDerWaalsContact O-CZ2 3.31Å; G1473-W1523 WeakPolarHBondContact O-CZ2 3.17Å |
| 1474 | V | 97.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -66.2 | -39.6 | 173.8 | -179.4 | 0 | 0 | 0 | 0 | 112.1 | W1452 W1470 A1471 Y1472 W1477 E1478 P1486 L1505 W1523 | W1452-V1474 HydrophobicContact CG-CB 4.42Å; W1452-V1474 HydrophobicContact CG-CG1 3.99Å; W1470-V1474 PolarHBondContact O-N 2.84Å; W1470-V1474 VanDerWaalsContact O-N 3.09Å; A1471-V1474 PolarHBondContact O-N 2.8Å; Y1472-V1474 PolarHBondContact O-N 3.23Å; V1474-W1477 WeakPolarHBondContact O-CB 3.43Å; V1474-W1477 PolarHBondContact O-N 3.08Å; V1474-E1478 WeakPolarHBondContact O-CG 3.29Å; V1474-E1478 PolarHBondContact O-N 3.42Å; V1474-P1486 HydrophobicContact CG1-CB 3.52Å; V1474-P1486 HydrophobicContact CG1-CG 3.32Å; V1474-L1505 HydrophobicContact CB-CD1 4.36Å; V1474-L1505 HydrophobicContact CG1-CD1 4.02Å; V1474-L1505 HydrophobicContact CG2-CD1 4.05Å; V1474-W1523 HydrophobicContact CG2-CZ2 4.3Å |
| 1475 | T | 96.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -63.1 | -42.7 | 176.9 | -56.2 | 0 | 0 | 0 | 0 | 111.5 | I1389 L1406 A1407 T1408 A1471 Y1472 W1477 E1478 I1479 | I1389-T1475 HydrophobicContact CD1-CG2 4.29Å; L1406-T1475 PolarHBondContact O-OG1 2.04Å; A1407-T1475 WeakPolarHBondContact CA-OG1 3.46Å; T1408-T1475 HydrophobicContact CG2-CG2 3.94Å; A1471-T1475 WeakPolarHBondContact O-CB 3.48Å; A1471-T1475 PolarHBondContact O-N 2.92Å; A1471-T1475 PolarHBondContact O-OG1 3.3Å; Y1472-T1475 CarbonylContact O-C 3.59Å; Y1472-T1475 WeakPolarHBondContact O-CA 3.02Å; Y1472-T1475 WeakPolarHBondContact O-CB 3.41Å; Y1472-T1475 PolarHBondContact O-N 3.23Å; T1475-W1477 VanDerWaalsContact C-N 3.32Å; T1475-E1478 WeakPolarHBondContact O-CB 3.42Å; T1475-E1478 PolarHBondContact O-N 2.9Å; T1475-I1479 HydrophobicContact CG2-CD1 4.48Å; T1475-I1479 WeakPolarHBondContact O-CG1 3.32Å; T1475-I1479 PolarHBondContact O-N 3.27Å |
| 1476 | I | 96.8 | Very high | 94.1 | Very high | 1 Ų | 1 | 11.4 Ų | 11.4 | 1% | 0.005 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -69 | -34.1 | 176.8 | -58.1 | -42.2 | 0 | 0 | 0 | 111 | A1386 Y1472 I1479 F1480 M1519 F1540 | A1386-I1476 HydrophobicContact CB-CD1 3.56Å; A1386-I1476 HydrophobicContact CB-CG1 4.34Å; A1386-I1476 HydrophobicContact CB-CG2 4.45Å; Y1472-I1476 HydrophobicContact CD1-CG1 3.9Å; Y1472-I1476 HydrophobicContact CD2-CD1 4.33Å; Y1472-I1476 HydrophobicContact CD2-CG1 4.35Å; Y1472-I1476 HydrophobicContact CE1-CD1 4.11Å; Y1472-I1476 HydrophobicContact CE1-CG1 3.37Å; Y1472-I1476 HydrophobicContact CE2-CD1 3.71Å; Y1472-I1476 HydrophobicContact CE2-CG1 3.91Å; Y1472-I1476 HydrophobicContact CG-CG1 4.34Å; Y1472-I1476 WeakPolarHBondContact O-CG1 3.43Å; Y1472-I1476 PolarHBondContact O-N 3.19Å; I1476-I1479 HydrophobicContact CD1-CD1 3.88Å; I1476-I1479 PolarHBondContact O-N 3.43Å; I1476-F1480 HydrophobicContact CG2-CD2 3.67Å; I1476-F1480 HydrophobicContact CG2-CE1 4.32Å; I1476-F1480 HydrophobicContact CG2-CE2 3.16Å; I1476-F1480 HydrophobicContact CG2-CG 4.43Å; I1476-F1480 HydrophobicContact CG2-CZ 3.53Å; I1476-F1480 PolarHBondContact O-N 2.9Å; I1476-M1519 HydrophobicContact CB-CE 4.36Å; I1476-M1519 HydrophobicContact CG2-CE 3.82Å; I1476-F1540 HydrophobicContact CG1-CZ 4.34Å; I1476-F1540 HydrophobicContact CG2-CE1 3.86Å; I1476-F1540 HydrophobicContact CG2-CZ 3.82Å |
| 1477 | W | 96.5 | Very high | 93.9 | Very high | 14 Ų | 14 | 9.8 Ų | 9.8 | 5% | 0.053 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -61.2 | -43.2 | 169.7 | -173.8 | 92.4 | 0 | 0 | 0 | 111.9 | G1473 V1474 T1475 I1479 T1481 D1484 P1486 L1505 P1506 P1508 M1519 W1523 | G1473-W1477 PolarHBondContact O-N 3.25Å; V1474-W1477 WeakPolarHBondContact O-CB 3.43Å; V1474-W1477 PolarHBondContact O-N 3.08Å; T1475-W1477 VanDerWaalsContact C-N 3.32Å; W1477-I1479 VanDerWaalsContact C-N 3.33Å; W1477-I1479 PolarHBondContact O-N 2.88Å; W1477-T1481 HydrophobicContact CD2-CG2 4.05Å; W1477-T1481 HydrophobicContact CE3-CG2 4.34Å; W1477-T1481 HydrophobicContact CH2-CG2 4.14Å; W1477-T1481 HydrophobicContact CZ2-CG2 3.84Å; W1477-T1481 HydrophobicContact CZ3-CG2 4.38Å; W1477-T1481 WeakPolarHBondContact O-CB 3.26Å; W1477-T1481 WeakPolarHBondContact O-CG2 3.43Å; W1477-T1481 PolarHBondContact O-N 2.65Å; W1477-T1481 PolarHBondContact O-OG1 3.21Å; W1477-D1484 HydrophobicContact CH2-CB 3.95Å; W1477-D1484 HydrophobicContact CZ3-CB 4.06Å; W1477-P1486 HydrophobicContact CE3-CG 4.23Å; W1477-P1486 HydrophobicContact CZ3-CG 4.3Å; W1477-L1505 HydrophobicContact CB-CD1 4Å; W1477-L1505 HydrophobicContact CD2-CB 4.19Å; W1477-L1505 HydrophobicContact CD2-CD1 3.72Å; W1477-L1505 HydrophobicContact CD2-CG 4.41Å; W1477-L1505 HydrophobicContact CE3-CD1 4Å; W1477-L1505 HydrophobicContact CG-CB 4.09Å; W1477-L1505 HydrophobicContact CG-CD1 3.7Å; W1477-P1506 HydrophobicContact CZ2-CG 4.27Å; W1477-P1506 PolarHBondContact NE1-O 2.8Å; W1477-P1508 HydrophobicContact CG-CG 4.41Å; W1477-M1519 HydrophobicContact CB-CE 4.25Å; W1477-M1519 HydrophobicContact CB-SD 4.3Å; W1477-W1523 HydrophobicContact CB-CH2 4.18Å; W1477-W1523 HydrophobicContact CB-CZ2 4.18Å; W1477-W1523 HydrophobicContact CG-CH2 4.35Å |
| 1478 | E | 95.8 | Very high | 93.3 | Very high | 2 Ų | 2 | 11.5 Ų | 11.5 | 1% | 0.009 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -60.6 | -38.8 | 172.4 | -67.8 | -173.9 | 126.2 | 0 | 0 | 112.2 | T1408 W1452 V1474 T1475 T1481 F1482 G1483 P1486 | T1408-E1478 HydrophobicContact CG2-CB 3.51Å; T1408-E1478 HydrophobicContact CG2-CG 4.46Å; T1408-E1478 PolarHBondContact N-OE2 3.29Å; T1408-E1478 PolarHBondContact OG1-OE2 3.07Å; W1452-E1478 VanDerWaalsContact CZ2-OE1 3.31Å; W1452-E1478 WeakPolarHBondContact CZ2-OE1 3.42Å; W1452-E1478 PolarHBondContact NE1-OE2 2.83Å; V1474-E1478 WeakPolarHBondContact O-CG 3.29Å; V1474-E1478 PolarHBondContact O-N 3.42Å; T1475-E1478 WeakPolarHBondContact O-CB 3.42Å; T1475-E1478 PolarHBondContact O-N 2.9Å; E1478-T1481 WeakPolarHBondContact CA-OG1 3.07Å; E1478-T1481 CarbonylContact O-C 3.57Å; E1478-T1481 PolarHBondContact O-OG1 3.2Å; E1478-F1482 PolarHBondContact O-N 3.14Å; E1478-F1482 VanDerWaalsContact O-N 3.14Å; E1478-G1483 PolarHBondContact O-N 2.76Å; E1478-P1486 HydrophobicContact CG-CG 3.56Å; E1478-P1486 WeakPolarHBondContact OE1-CD 3.4Å |
| 1479 | I | 95 | Very high | 92.6 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -65.6 | -50.7 | 178.5 | -67.7 | 169.8 | 0 | 0 | 0 | 111.1 | L1366 L1370 L1382 W1385 I1389 T1408 T1475 I1476 W1477 T1481 F1482 | L1366-I1479 HydrophobicContact CD2-CD1 3.86Å; L1366-I1479 HydrophobicContact CD2-CG1 3.99Å; L1370-I1479 HydrophobicContact CD1-CG1 4.21Å; L1382-I1479 HydrophobicContact CB-CG2 4.34Å; L1382-I1479 HydrophobicContact CD2-CG2 3.79Å; W1385-I1479 HydrophobicContact CE3-CG2 4.45Å; I1389-I1479 HydrophobicContact CD1-CD1 3.6Å; T1408-I1479 HydrophobicContact CG2-CD1 4.48Å; T1408-I1479 HydrophobicContact CG2-CG1 3.72Å; T1475-I1479 HydrophobicContact CG2-CD1 4.48Å; T1475-I1479 WeakPolarHBondContact O-CG1 3.32Å; T1475-I1479 PolarHBondContact O-N 3.27Å; I1476-I1479 HydrophobicContact CD1-CD1 3.88Å; I1476-I1479 PolarHBondContact O-N 3.43Å; W1477-I1479 VanDerWaalsContact C-N 3.33Å; W1477-I1479 PolarHBondContact O-N 2.88Å; I1479-T1481 VanDerWaalsContact C-N 3.25Å; I1479-T1481 PolarHBondContact O-N 3.43Å; I1479-F1482 PolarHBondContact O-N 3.35Å |
| 1480 | F | 93.6 | Very high | 91.8 | Very high | 3 Ų | 3 | 20.9 Ų | 20.9 | 1% | 0.013 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -77.2 | -9.7 | -177.5 | -58.3 | -24.3 | 0 | 0 | 0 | 114 | L1382 L1383 A1386 I1476 F1482 P1508 I1510 C1511 L1515 M1519 F1540 L1551 | L1382-F1480 HydrophobicContact CB-CD1 4.02Å; L1382-F1480 HydrophobicContact CB-CE1 3.81Å; L1383-F1480 HydrophobicContact CD2-CE1 4.44Å; L1383-F1480 HydrophobicContact CD2-CZ 3.88Å; A1386-F1480 HydrophobicContact CB-CZ 4.34Å; I1476-F1480 HydrophobicContact CG2-CD2 3.67Å; I1476-F1480 HydrophobicContact CG2-CE1 4.32Å; I1476-F1480 HydrophobicContact CG2-CE2 3.16Å; I1476-F1480 HydrophobicContact CG2-CG 4.43Å; I1476-F1480 HydrophobicContact CG2-CZ 3.53Å; I1476-F1480 PolarHBondContact O-N 2.9Å; F1480-F1482 WeakPolarHBondContact O-CE2 2.98Å; F1480-P1508 HydrophobicContact CB-CB 4.15Å; F1480-P1508 HydrophobicContact CB-CG 4.19Å; F1480-I1510 HydrophobicContact CB-CD1 3.88Å; F1480-I1510 HydrophobicContact CB-CG1 4.04Å; F1480-I1510 HydrophobicContact CD1-CD1 4.33Å; F1480-I1510 HydrophobicContact CG-CD1 4.32Å; F1480-I1510 WeakPolarHBondContact O-CD1 3.39Å; F1480-I1510 WeakPolarHBondContact O-CG1 3.3Å; F1480-C1511 WeakPolarHBondContact CD2-SG 3.37Å; F1480-L1515 HydrophobicContact CD2-CD2 4.03Å; F1480-L1515 HydrophobicContact CE2-CD1 4.14Å; F1480-L1515 HydrophobicContact CE2-CD2 3.59Å; F1480-L1515 HydrophobicContact CE2-CG 3.98Å; F1480-L1515 HydrophobicContact CZ-CD2 4.23Å; F1480-M1519 HydrophobicContact CD2-CE 3.48Å; F1480-M1519 VanDerWaalsContact CD2-CE 3.48Å; F1480-M1519 HydrophobicContact CE2-CE 4.03Å; F1480-M1519 HydrophobicContact CG-CE 4.47Å; F1480-F1540 AromaticContact CE2-CE1 3.94Å; F1480-F1540 HydrophobicContact CE2-CE1 3.94Å; F1480-F1540 HydrophobicContact CZ-CD1 4.4Å; F1480-F1540 AromaticContact CZ-CE1 3.82Å; F1480-F1540 HydrophobicContact CZ-CE1 3.82Å; F1480-L1551 HydrophobicContact CD1-CD1 4.44Å; F1480-L1551 HydrophobicContact CD1-CD2 4.38Å; F1480-L1551 HydrophobicContact CD2-CD2 4.42Å; F1480-L1551 HydrophobicContact CE1-CD1 4.26Å; F1480-L1551 HydrophobicContact CG-CD2 4.33Å |
| 1481 | T | 91.9 | Very high | 90.8 | Very high | 21 Ų | 21 | 22.3 Ų | 22.3 | 13% | 0.129 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | 10.4 | 165.3 | 58.3 | 0 | 0 | 0 | 0 | 113.1 | W1477 E1478 I1479 G1483 D1484 P1508 | W1477-T1481 HydrophobicContact CD2-CG2 4.05Å; W1477-T1481 HydrophobicContact CE3-CG2 4.34Å; W1477-T1481 HydrophobicContact CH2-CG2 4.14Å; W1477-T1481 HydrophobicContact CZ2-CG2 3.84Å; W1477-T1481 HydrophobicContact CZ3-CG2 4.38Å; W1477-T1481 WeakPolarHBondContact O-CB 3.26Å; W1477-T1481 WeakPolarHBondContact O-CG2 3.43Å; W1477-T1481 PolarHBondContact O-N 2.65Å; W1477-T1481 PolarHBondContact O-OG1 3.21Å; E1478-T1481 WeakPolarHBondContact CA-OG1 3.07Å; E1478-T1481 CarbonylContact O-C 3.57Å; E1478-T1481 PolarHBondContact O-OG1 3.2Å; I1479-T1481 VanDerWaalsContact C-N 3.25Å; I1479-T1481 PolarHBondContact O-N 3.43Å; T1481-G1483 PolarHBondContact O-N 3.18Å; T1481-G1483 VanDerWaalsContact O-N 3.15Å; T1481-D1484 PolarHBondContact O-N 3.38Å; T1481-P1508 HydrophobicContact CG2-CB 3.83Å; T1481-P1508 HydrophobicContact CG2-CG 4.02Å |
| 1482 | F | 90.7 | Very high | 89.9 | Confident | 24 Ų | 24 | 22.3 Ų | 22.3 | 11% | 0.105 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.9 | 31.5 | 176.4 | -54.2 | -96.4 | 0 | 0 | 0 | 114.1 | L1370 A1374 L1382 E1478 I1479 F1480 I1510 | L1370-F1482 HydrophobicContact CD2-CD1 4.37Å; A1374-F1482 HydrophobicContact CB-CB 3.98Å; A1374-F1482 HydrophobicContact CB-CD1 4.11Å; A1374-F1482 HydrophobicContact CB-CG 4.28Å; L1382-F1482 HydrophobicContact CD1-CE1 3.7Å; L1382-F1482 HydrophobicContact CD1-CE2 4.5Å; L1382-F1482 HydrophobicContact CD1-CZ 3.47Å; L1382-F1482 VanDerWaalsContact CD1-CZ 3.47Å; L1382-F1482 HydrophobicContact CD2-CE1 3.98Å; L1382-F1482 HydrophobicContact CD2-CZ 4.48Å; L1382-F1482 HydrophobicContact CG-CE1 4.44Å; E1478-F1482 PolarHBondContact O-N 3.14Å; E1478-F1482 VanDerWaalsContact O-N 3.14Å; I1479-F1482 PolarHBondContact O-N 3.35Å; F1480-F1482 WeakPolarHBondContact O-CE2 2.98Å; F1482-I1510 HydrophobicContact CE2-CD1 3.78Å; F1482-I1510 HydrophobicContact CE2-CG2 4.35Å; F1482-I1510 HydrophobicContact CZ-CD1 3.91Å |
| 1483 | G | 84.7 | Confident | 88.9 | Confident | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.01 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 102.4 | 11.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | R1371 E1478 T1481 | R1371-G1483 PolarHBondContact NH1-O 2.9Å; R1371-G1483 PolarHBondContact NH2-O 2.72Å; E1478-G1483 PolarHBondContact O-N 2.76Å; T1481-G1483 PolarHBondContact O-N 3.18Å; T1481-G1483 VanDerWaalsContact O-N 3.15Å |
| 1484 | D | 87.9 | Confident | 88.4 | Confident | 81 Ų | 81 | 28.3 Ų | 28.3 | 43% | 0.433 | 14% | 0.142 | S | C | . | . | P | Polyproline II helix | trans | -55.7 | 154.3 | 172.1 | -81.1 | -23 | 0 | 0 | 0 | 111.6 | W1477 T1481 P1486 | W1477-D1484 HydrophobicContact CH2-CB 3.95Å; W1477-D1484 HydrophobicContact CZ3-CB 4.06Å; T1481-D1484 PolarHBondContact O-N 3.38Å; D1484-P1486 WeakPolarHBondContact O-CD 3.47Å |
| 1485 | K | 86.5 | Confident | 87.8 | Confident | 32 Ų | 32 | 28.3 Ų | 28.3 | 14% | 0.139 | 14% | 0.142 | C | C | . | . | P | Polyproline II helix | trans | -85.7 | 123.6 | -172.1 | 173.8 | 161.9 | 173.4 | -176 | 0 | 111 | F1487 D1488 F1823 E1824 Y1829 R1880 | K1485-F1487 PolarHBondContact O-N 3.29Å; K1485-D1488 WeakPolarHBondContact O-CA 3.36Å; K1485-D1488 WeakPolarHBondContact O-CB 3.44Å; K1485-D1488 PolarHBondContact O-N 2.81Å; K1485-F1823 HydrophobicContact CB-CZ 4.03Å; K1485-F1823 HydrophobicContact CD-CE1 3.75Å; K1485-F1823 HydrophobicContact CD-CZ 3.49Å; K1485-F1823 VanDerWaalsContact CD-CZ 3.49Å; K1485-F1823 HydrophobicContact CG-CE1 3.96Å; K1485-F1823 HydrophobicContact CG-CZ 3.72Å; K1485-E1824 PolarHBondContact NZ-O 2.75Å; K1485-Y1829 HydrophobicContact CD-CE2 4.44Å; K1485-Y1829 VanDerWaalsContact CD-OH 3.27Å; K1485-Y1829 WeakPolarHBondContact CD-OH 3.25Å; K1485-Y1829 WeakPolarHBondContact CG-OH 3.3Å; K1485-R1880 VanDerWaalsContact NZ-NH2 3.11Å |
| 1486 | P | 90.7 | Very high | 87.4 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | 136 | 178.9 | -31 | 38.3 | 0 | 0 | 0 | 113.3 | R1451 W1452 V1474 W1477 E1478 D1484 D1488 L1505 | R1451-P1486 HydrophobicContact CB-CB 4.33Å; R1451-P1486 WeakPolarHBondContact CD-O 3.16Å; R1451-P1486 PolarHBondContact NH1-O 3.16Å; W1452-P1486 HydrophobicContact CZ2-CG 3.87Å; V1474-P1486 HydrophobicContact CG1-CB 3.52Å; V1474-P1486 HydrophobicContact CG1-CG 3.32Å; W1477-P1486 HydrophobicContact CE3-CG 4.23Å; W1477-P1486 HydrophobicContact CZ3-CG 4.3Å; E1478-P1486 HydrophobicContact CG-CG 3.56Å; E1478-P1486 WeakPolarHBondContact OE1-CD 3.4Å; D1484-P1486 WeakPolarHBondContact O-CD 3.47Å; P1486-D1488 VanDerWaalsContact C-N 3.33Å; P1486-D1488 PolarHBondContact O-N 2.84Å; P1486-L1505 HydrophobicContact CB-CD1 4.21Å; P1486-L1505 HydrophobicContact CB-CD2 4.32Å |
| 1487 | F | 90.3 | Very high | 86.9 | Confident | 11 Ų | 11 | 35.5 Ų | 35.5 | 5% | 0.048 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53 | 47.1 | -172.2 | -57.3 | -81.3 | 0 | 0 | 0 | 112.2 | R1451 K1485 R1489 I1490 V1495 H1498 V1499 L1505 | R1451-F1487 HydrophobicContact CB-CD2 4.4Å; R1451-F1487 PolarHBondContact NH1-O 2.92Å; R1451-F1487 WeakPolarHBondContact O-CE2 3.48Å; K1485-F1487 PolarHBondContact O-N 3.29Å; F1487-R1489 PolarHBondContact O-N 2.89Å; F1487-I1490 HydrophobicContact CB-CB 4.33Å; F1487-I1490 HydrophobicContact CB-CD1 4.25Å; F1487-I1490 HydrophobicContact CB-CG1 4.26Å; F1487-I1490 HydrophobicContact CD1-CD1 3.89Å; F1487-I1490 HydrophobicContact CG-CD1 4.5Å; F1487-I1490 PolarHBondContact O-N 3Å; F1487-V1495 HydrophobicContact CB-CG2 3.92Å; F1487-V1495 HydrophobicContact CD2-CG1 4.09Å; F1487-V1495 HydrophobicContact CE2-CG1 4.47Å; F1487-V1495 HydrophobicContact CG-CG1 4.37Å; F1487-V1495 HydrophobicContact CG-CG2 4.35Å; F1487-H1498 AromaticContact CD1-CD2 3.93Å; F1487-H1498 AromaticContact CE1-CD2 3.87Å; F1487-V1499 HydrophobicContact CE1-CG2 3.99Å; F1487-V1499 HydrophobicContact CE2-CG2 4.22Å; F1487-V1499 HydrophobicContact CZ-CG2 3.64Å; F1487-L1505 HydrophobicContact CB-CD2 4.26Å; F1487-L1505 HydrophobicContact CD1-CD2 3.58Å; F1487-L1505 HydrophobicContact CD1-CG 4.46Å; F1487-L1505 HydrophobicContact CD2-CD2 3.67Å; F1487-L1505 HydrophobicContact CD2-CG 4.47Å; F1487-L1505 HydrophobicContact CE1-CD2 3.7Å; F1487-L1505 HydrophobicContact CE1-CG 4.09Å; F1487-L1505 HydrophobicContact CE2-CD2 3.78Å; F1487-L1505 HydrophobicContact CE2-CG 4.09Å; F1487-L1505 HydrophobicContact CG-CD2 3.57Å; F1487-L1505 HydrophobicContact CZ-CD2 3.8Å; F1487-L1505 HydrophobicContact CZ-CG 3.88Å |
| 1488 | D | 81.7 | Confident | 86.5 | Confident | 42 Ų | 42 | 38.2 Ų | 38.2 | 23% | 0.225 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50 | -25.3 | -177.3 | -161.3 | 79.3 | 0 | 0 | 0 | 113.4 | K1485 P1486 F1823 | K1485-D1488 WeakPolarHBondContact O-CA 3.36Å; K1485-D1488 WeakPolarHBondContact O-CB 3.44Å; K1485-D1488 PolarHBondContact O-N 2.81Å; P1486-D1488 VanDerWaalsContact C-N 3.33Å; P1486-D1488 PolarHBondContact O-N 2.84Å; D1488-F1823 VanDerWaalsContact CA-CE1 3.49Å; D1488-F1823 VanDerWaalsContact CA-CZ 3.41Å; D1488-F1823 HydrophobicContact CB-CE2 4.3Å; D1488-F1823 HydrophobicContact CB-CZ 4.02Å; D1488-F1823 VanDerWaalsContact CG-CZ 3.49Å; D1488-F1823 WeakPolarHBondContact O-CD1 3.45Å; D1488-F1823 WeakPolarHBondContact O-CD2 3.1Å; D1488-F1823 WeakPolarHBondContact O-CE1 3.16Å; D1488-F1823 WeakPolarHBondContact O-CE2 3.36Å; D1488-F1823 WeakPolarHBondContact O-CG 3.35Å; D1488-F1823 WeakPolarHBondContact O-CZ 3.2Å; D1488-F1823 WeakPolarHBondContact OD1-CE2 3.39Å; D1488-F1823 WeakPolarHBondContact OD1-CZ 3.46Å |
| 1489 | R | 82.5 | Confident | 86.2 | Confident | 177 Ų | 177 | 38.2 Ų | 38.2 | 67% | 0.668 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.1 | 10.7 | -173.6 | -62.8 | -170.5 | -177 | -164.1 | 3.1 | 115 | F1487 T1821 S1822 | F1487-R1489 PolarHBondContact O-N 2.89Å; R1489-T1821 HydrophobicContact CB-CG2 3.63Å; R1489-T1821 HydrophobicContact CG-CG2 3.73Å; R1489-T1821 WeakPolarHBondContact O-CA 3.47Å; R1489-S1822 CarbonylContact C-O 3.58Å |
| 1490 | I | 79.6 | Confident | 85.9 | Confident | 22 Ų | 22 | 41.3 Ų | 41.3 | 11% | 0.113 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -135.5 | 135 | -170.4 | -41.2 | -172.3 | 0 | 0 | 0 | 112.7 | R1451 F1487 N1494 V1495 H1498 S1822 | R1451-I1490 PolarHBondContact NH2-O 3.26Å; F1487-I1490 HydrophobicContact CB-CB 4.33Å; F1487-I1490 HydrophobicContact CB-CD1 4.25Å; F1487-I1490 HydrophobicContact CB-CG1 4.26Å; F1487-I1490 HydrophobicContact CD1-CD1 3.89Å; F1487-I1490 HydrophobicContact CG-CD1 4.5Å; F1487-I1490 PolarHBondContact O-N 3Å; I1490-N1494 HydrophobicContact CG2-CB 3.95Å; I1490-V1495 HydrophobicContact CB-CG2 3.93Å; I1490-V1495 HydrophobicContact CG2-CG2 3.96Å; I1490-H1498 HydrophobicContact CD1-CB 3.78Å; I1490-H1498 WeakPolarHBondContact CD1-CD2 3.1Å; I1490-H1498 WeakPolarHBondContact CD1-NE2 3.39Å; I1490-H1498 HydrophobicContact CG2-CB 4.38Å; I1490-S1822 CarbonylContact C-O 3.59Å; I1490-S1822 WeakPolarHBondContact CA-O 3.14Å; I1490-S1822 PolarHBondContact N-O 3.45Å |
| 1491 | E | 76.2 | Confident | 85.5 | Confident | 30 Ų | 30 | 45.2 Ų | 45.2 | 14% | 0.14 | 24% | 0.24 | C | C | . | . | trans | -62 | 143.3 | 169.4 | -113.1 | 124.1 | -132.5 | 0 | 0 | 109.9 | A1493 N1494 V1495 S1822 F1823 E1824 R1883 | E1491-A1493 VanDerWaalsContact C-N 3.32Å; E1491-A1493 PolarHBondContact O-N 3.08Å; E1491-N1494 HydrophobicContact CB-CB 4.37Å; E1491-N1494 CarbonylContact O-C 3.42Å; E1491-N1494 WeakPolarHBondContact O-CA 3.4Å; E1491-N1494 PolarHBondContact O-N 3.16Å; E1491-V1495 WeakPolarHBondContact O-CG2 3.29Å; E1491-V1495 PolarHBondContact O-N 3.07Å; E1491-S1822 VanDerWaalsContact N-C 3.28Å; E1491-S1822 PolarHBondContact N-O 3Å; E1491-S1822 PolarHBondContact N-OG 3.44Å; E1491-S1822 WeakPolarHBondContact OE1-CA 3.27Å; E1491-S1822 VanDerWaalsContact OE2-CB 3.26Å; E1491-S1822 WeakPolarHBondContact OE2-CB 3.47Å; E1491-F1823 PolarHBondContact OE1-N 3.44Å; E1491-E1824 HydrophobicContact CB-CB 4.19Å; E1491-E1824 HydrophobicContact CG-CB 3.71Å; E1491-E1824 HydrophobicContact CG-CG 3.77Å; E1491-R1883 IonicContact OE1-NH1 3.19Å; E1491-R1883 PolarHBondContact OE1-NH1 3.43Å; E1491-R1883 IonicContact OE2-CZ 2.72Å; E1491-R1883 IonicContact OE2-NH1 2.78Å; E1491-R1883 PolarHBondContact OE2-NH1 3.33Å | ||
| 1492 | T | 79.4 | Confident | 85.2 | Confident | 5 Ų | 5 | 46.1 Ų | 46.1 | 3% | 0.031 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -70 | -32.4 | -170.3 | -55.4 | 0 | 0 | 0 | 0 | 111.5 | I1450 R1451 N1494 V1495 E1824 A1825 A1826 | I1450-T1492 HydrophobicContact CB-CG2 3.6Å; I1450-T1492 HydrophobicContact CD1-CG2 3.79Å; I1450-T1492 HydrophobicContact CG1-CG2 4.25Å; I1450-T1492 HydrophobicContact CG2-CG2 3.59Å; R1451-T1492 PolarHBondContact NE-OG1 2.54Å; R1451-T1492 PolarHBondContact NH2-OG1 3.11Å; T1492-N1494 PolarHBondContact O-N 3.32Å; T1492-V1495 PolarHBondContact O-N 2.96Å; T1492-E1824 PolarHBondContact N-OE2 2.91Å; T1492-E1824 PolarHBondContact OG1-O 3.34Å; T1492-A1825 WeakPolarHBondContact CB-O 3.34Å; T1492-A1825 VanDerWaalsContact CG2-O 3.3Å; T1492-A1825 WeakPolarHBondContact CG2-O 3.5Å; T1492-A1825 VanDerWaalsContact OG1-C 3.28Å; T1492-A1825 PolarHBondContact OG1-O 3.18Å; T1492-A1826 HydrophobicContact CG2-CB 4.18Å |
| 1493 | A | 75.5 | Confident | 85 | Confident | 58 Ų | 58 | 45.6 Ų | 45.6 | 48% | 0.479 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -52.8 | -45 | 166.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | E1491 E1824 | E1491-A1493 VanDerWaalsContact C-N 3.32Å; E1491-A1493 PolarHBondContact O-N 3.08Å; A1493-E1824 PolarHBondContact N-OE2 3.18Å |
| 1494 | N | 87 | Confident | 85.4 | Confident | 70 Ų | 70 | 47.8 Ų | 47.8 | 37% | 0.374 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -84.2 | -11.1 | -175.3 | -51.3 | -6.9 | 0 | 0 | 0 | 113.4 | I1490 E1491 T1492 K1496 D1497 H1498 | I1490-N1494 HydrophobicContact CG2-CB 3.95Å; E1491-N1494 HydrophobicContact CB-CB 4.37Å; E1491-N1494 CarbonylContact O-C 3.42Å; E1491-N1494 WeakPolarHBondContact O-CA 3.4Å; E1491-N1494 PolarHBondContact O-N 3.16Å; T1492-N1494 PolarHBondContact O-N 3.32Å; N1494-K1496 PolarHBondContact O-N 2.79Å; N1494-D1497 PolarHBondContact O-N 3.48Å; N1494-H1498 WeakPolarHBondContact O-CB 3.27Å; N1494-H1498 PolarHBondContact O-N 3.25Å |
| 1495 | V | 84.8 | Confident | 85.7 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.1 | -36.5 | 175.8 | 164.6 | 0 | 0 | 0 | 0 | 110.5 | I1450 R1451 F1487 I1490 E1491 T1492 V1499 | I1450-V1495 HydrophobicContact CG2-CB 4.37Å; I1450-V1495 HydrophobicContact CG2-CG1 4.28Å; R1451-V1495 HydrophobicContact CG-CG1 4.46Å; R1451-V1495 HydrophobicContact CG-CG2 4.3Å; F1487-V1495 HydrophobicContact CB-CG2 3.92Å; F1487-V1495 HydrophobicContact CD2-CG1 4.09Å; F1487-V1495 HydrophobicContact CE2-CG1 4.47Å; F1487-V1495 HydrophobicContact CG-CG1 4.37Å; F1487-V1495 HydrophobicContact CG-CG2 4.35Å; I1490-V1495 HydrophobicContact CB-CG2 3.93Å; I1490-V1495 HydrophobicContact CG2-CG2 3.96Å; E1491-V1495 WeakPolarHBondContact O-CG2 3.29Å; E1491-V1495 PolarHBondContact O-N 3.07Å; T1492-V1495 PolarHBondContact O-N 2.96Å; V1495-V1499 HydrophobicContact CG1-CG2 4.24Å; V1495-V1499 WeakPolarHBondContact O-CB 3.13Å; V1495-V1499 VanDerWaalsContact O-CG2 3.31Å; V1495-V1499 WeakPolarHBondContact O-CG2 3.31Å; V1495-V1499 PolarHBondContact O-N 2.91Å |
| 1496 | K | 88.4 | Confident | 85.9 | Confident | 50 Ų | 50 | 46.5 Ų | 46.5 | 22% | 0.217 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -55.9 | -56 | 173.2 | 171.4 | 166.6 | 169.7 | 161.6 | 0 | 111 | L1458 N1494 H1498 V1499 L1500 | L1458-K1496 HydrophobicContact CB-CG 4.33Å; L1458-K1496 HydrophobicContact CD2-CB 4.18Å; L1458-K1496 HydrophobicContact CD2-CG 4.48Å; L1458-K1496 VanDerWaalsContact O-CE 3.3Å; L1458-K1496 WeakPolarHBondContact O-CE 3.45Å; L1458-K1496 PolarHBondContact O-NZ 2.82Å; N1494-K1496 PolarHBondContact O-N 2.79Å; K1496-H1498 VanDerWaalsContact C-N 3.32Å; K1496-H1498 PolarHBondContact O-N 2.88Å; K1496-V1499 PolarHBondContact O-N 3.36Å; K1496-L1500 HydrophobicContact CD-CD1 4.35Å; K1496-L1500 HydrophobicContact CG-CD1 3.7Å; K1496-L1500 HydrophobicContact CG-CG 4.46Å; K1496-L1500 WeakPolarHBondContact O-CB 3.34Å; K1496-L1500 VanDerWaalsContact O-CG 3.28Å; K1496-L1500 WeakPolarHBondContact O-CG 3.34Å; K1496-L1500 PolarHBondContact O-N 3.3Å |
| 1497 | D | 85.5 | Confident | 86 | Confident | 103 Ų | 103 | 50.1 Ų | 50.1 | 55% | 0.551 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -68.5 | -34 | -173.4 | -54.8 | -30.3 | 0 | 0 | 0 | 111.5 | N1494 A1501 | N1494-D1497 PolarHBondContact O-N 3.48Å; D1497-A1501 WeakPolarHBondContact O-CB 3.47Å; D1497-A1501 PolarHBondContact O-N 3.22Å |
| 1498 | H | 88.2 | Confident | 86.1 | Confident | 71 Ų | 71 | 49.9 Ų | 49.9 | 33% | 0.329 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -64.6 | -48.1 | 172.6 | 179.6 | 79 | 0 | 0 | 0 | 112.7 | F1487 I1490 N1494 K1496 L1500 A1501 G1503 | F1487-H1498 AromaticContact CD1-CD2 3.93Å; F1487-H1498 AromaticContact CE1-CD2 3.87Å; I1490-H1498 HydrophobicContact CD1-CB 3.78Å; I1490-H1498 WeakPolarHBondContact CD1-CD2 3.1Å; I1490-H1498 WeakPolarHBondContact CD1-NE2 3.39Å; I1490-H1498 HydrophobicContact CG2-CB 4.38Å; N1494-H1498 WeakPolarHBondContact O-CB 3.27Å; N1494-H1498 PolarHBondContact O-N 3.25Å; K1496-H1498 VanDerWaalsContact C-N 3.32Å; K1496-H1498 PolarHBondContact O-N 2.88Å; H1498-L1500 VanDerWaalsContact C-N 3.35Å; H1498-L1500 PolarHBondContact O-N 3.35Å; H1498-A1501 CarbonylContact O-C 3.56Å; H1498-A1501 PolarHBondContact O-N 3.49Å; H1498-G1503 VanDerWaalsContact NE2-CA 3.3Å; H1498-G1503 WeakPolarHBondContact NE2-CA 3.46Å; H1498-G1503 VanDerWaalsContact O-CA 3.28Å; H1498-G1503 WeakPolarHBondContact O-CA 3.3Å; H1498-G1503 PolarHBondContact O-N 2.03Å |
| 1499 | V | 89.5 | Confident | 86.3 | Confident | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.006 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.4 | -41.9 | -179.8 | 164.6 | 0 | 0 | 0 | 0 | 111.2 | L1458 W1470 F1487 V1495 K1496 A1501 G1502 R1504 | L1458-V1499 HydrophobicContact CD1-CB 4.05Å; L1458-V1499 HydrophobicContact CD1-CG1 3.73Å; W1470-V1499 HydrophobicContact CH2-CG1 3.7Å; W1470-V1499 HydrophobicContact CZ2-CG1 3.49Å; W1470-V1499 VanDerWaalsContact CZ2-CG1 3.49Å; W1470-V1499 HydrophobicContact CZ2-CG2 4.44Å; F1487-V1499 HydrophobicContact CE1-CG2 3.99Å; F1487-V1499 HydrophobicContact CE2-CG2 4.22Å; F1487-V1499 HydrophobicContact CZ-CG2 3.64Å; V1495-V1499 HydrophobicContact CG1-CG2 4.24Å; V1495-V1499 WeakPolarHBondContact O-CB 3.13Å; V1495-V1499 VanDerWaalsContact O-CG2 3.31Å; V1495-V1499 WeakPolarHBondContact O-CG2 3.31Å; V1495-V1499 PolarHBondContact O-N 2.91Å; K1496-V1499 PolarHBondContact O-N 3.36Å; V1499-A1501 VanDerWaalsContact C-N 3.27Å; V1499-A1501 PolarHBondContact O-N 3.41Å; V1499-G1502 PolarHBondContact O-N 3.02Å; V1499-R1504 PolarHBondContact O-NH1 3.06Å |
| 1500 | L | 88.8 | Confident | 86.6 | Confident | 66 Ų | 66 | 48.1 Ų | 48.1 | 35% | 0.346 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -74.1 | -14.4 | 177.3 | -62.6 | 176.3 | 0 | 0 | 0 | 113.7 | C1455 T1459 K1496 H1498 G1502 | C1455-L1500 HydrophobicContact CB-CD2 3.82Å; T1459-L1500 HydrophobicContact CG2-CD1 3.67Å; T1459-L1500 HydrophobicContact CG2-CD2 3.71Å; T1459-L1500 HydrophobicContact CG2-CG 4.37Å; K1496-L1500 HydrophobicContact CD-CD1 4.35Å; K1496-L1500 HydrophobicContact CG-CD1 3.7Å; K1496-L1500 HydrophobicContact CG-CG 4.46Å; K1496-L1500 WeakPolarHBondContact O-CB 3.34Å; K1496-L1500 VanDerWaalsContact O-CG 3.28Å; K1496-L1500 WeakPolarHBondContact O-CG 3.34Å; K1496-L1500 PolarHBondContact O-N 3.3Å; H1498-L1500 VanDerWaalsContact C-N 3.35Å; H1498-L1500 PolarHBondContact O-N 3.35Å; L1500-G1502 VanDerWaalsContact C-N 3.3Å |
| 1501 | A | 86.6 | Confident | 87.1 | Confident | 84 Ų | 84 | 47.1 Ų | 47.1 | 69% | 0.694 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.1 | 22.9 | 169.2 | 0 | 0 | 0 | 0 | 0 | 113 | D1497 H1498 V1499 G1503 | D1497-A1501 WeakPolarHBondContact O-CB 3.47Å; D1497-A1501 PolarHBondContact O-N 3.22Å; H1498-A1501 CarbonylContact O-C 3.56Å; H1498-A1501 PolarHBondContact O-N 3.49Å; V1499-A1501 VanDerWaalsContact C-N 3.27Å; V1499-A1501 PolarHBondContact O-N 3.41Å; A1501-G1503 VanDerWaalsContact C-N 3.28Å; A1501-G1503 PolarHBondContact O-N 3.17Å |
| 1502 | G | 85.2 | Confident | 87.7 | Confident | 41 Ų | 41 | 46.7 Ų | 46.7 | 42% | 0.423 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.3 | 4.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | V1499 L1500 R1504 E1525 | V1499-G1502 PolarHBondContact O-N 3.02Å; L1500-G1502 VanDerWaalsContact C-N 3.3Å; G1502-R1504 PolarHBondContact O-NH1 2.94Å; G1502-E1525 WeakPolarHBondContact CA-OE1 3.13Å |
| 1503 | G | 86.2 | Confident | 88 | Confident | 12 Ų | 12 | 51.4 Ų | 51.4 | 12% | 0.124 | 30% | 0.301 | C | S | . | . | trans | -72.6 | 137.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | H1498 A1501 | H1498-G1503 VanDerWaalsContact NE2-CA 3.3Å; H1498-G1503 WeakPolarHBondContact NE2-CA 3.46Å; H1498-G1503 VanDerWaalsContact O-CA 3.28Å; H1498-G1503 WeakPolarHBondContact O-CA 3.3Å; H1498-G1503 PolarHBondContact O-N 2.03Å; A1501-G1503 VanDerWaalsContact C-N 3.28Å; A1501-G1503 PolarHBondContact O-N 3.17Å | ||
| 1504 | R | 92.8 | Very high | 88.5 | Confident | 48 Ų | 48 | 54.5 Ų | 54.5 | 18% | 0.181 | 31% | 0.305 | C | S | . | . | trans | -137.2 | 166.9 | -174.6 | -60.6 | -61.7 | 179.2 | -84.1 | -9.4 | 111.5 | V1499 G1502 W1523 E1525 | V1499-R1504 PolarHBondContact O-NH1 3.06Å; G1502-R1504 PolarHBondContact O-NH1 2.94Å; R1504-W1523 HydrophobicContact CB-CE3 4.19Å; R1504-W1523 PolarHBondContact NE-O 3.4Å; R1504-W1523 PolarHBondContact NH2-O 3.06Å; R1504-E1525 IonicContact CZ-OE1 3.45Å; R1504-E1525 IonicContact NH1-OE1 2.84Å; R1504-E1525 IonicContact NH2-OE1 3.33Å; R1504-E1525 PolarHBondContact NH2-OE1 3.23Å | ||
| 1505 | L | 93.6 | Very high | 88.7 | Confident | 2 Ų | 2 | 51.1 Ų | 51.1 | 1% | 0.01 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -70 | 144 | 173.7 | -58.1 | 175.8 | 0 | 0 | 0 | 110.2 | V1474 W1477 P1486 F1487 Y1516 W1523 | V1474-L1505 HydrophobicContact CB-CD1 4.36Å; V1474-L1505 HydrophobicContact CG1-CD1 4.02Å; V1474-L1505 HydrophobicContact CG2-CD1 4.05Å; W1477-L1505 HydrophobicContact CB-CD1 4Å; W1477-L1505 HydrophobicContact CD2-CB 4.19Å; W1477-L1505 HydrophobicContact CD2-CD1 3.72Å; W1477-L1505 HydrophobicContact CD2-CG 4.41Å; W1477-L1505 HydrophobicContact CE3-CD1 4Å; W1477-L1505 HydrophobicContact CG-CB 4.09Å; W1477-L1505 HydrophobicContact CG-CD1 3.7Å; P1486-L1505 HydrophobicContact CB-CD1 4.21Å; P1486-L1505 HydrophobicContact CB-CD2 4.32Å; F1487-L1505 HydrophobicContact CB-CD2 4.26Å; F1487-L1505 HydrophobicContact CD1-CD2 3.58Å; F1487-L1505 HydrophobicContact CD1-CG 4.46Å; F1487-L1505 HydrophobicContact CD2-CD2 3.67Å; F1487-L1505 HydrophobicContact CD2-CG 4.47Å; F1487-L1505 HydrophobicContact CE1-CD2 3.7Å; F1487-L1505 HydrophobicContact CE1-CG 4.09Å; F1487-L1505 HydrophobicContact CE2-CD2 3.78Å; F1487-L1505 HydrophobicContact CE2-CG 4.09Å; F1487-L1505 HydrophobicContact CG-CD2 3.57Å; F1487-L1505 HydrophobicContact CZ-CD2 3.8Å; F1487-L1505 HydrophobicContact CZ-CG 3.88Å; L1505-Y1516 PolarHBondContact O-OH 3.34Å; L1505-W1523 HydrophobicContact CB-CH2 3.64Å; L1505-W1523 HydrophobicContact CB-CZ2 4.26Å; L1505-W1523 HydrophobicContact CB-CZ3 3.97Å; L1505-W1523 HydrophobicContact CD1-CH2 3.96Å; L1505-W1523 HydrophobicContact CD1-CZ2 3.73Å; L1505-W1523 HydrophobicContact CG-CH2 4.16Å; L1505-W1523 HydrophobicContact CG-CZ2 4.28Å |
| 1506 | P | 92.3 | Very high | 89.2 | Confident | 83 Ų | 83 | 52.6 Ų | 52.6 | 54% | 0.539 | 29% | 0.293 | S | S | . | . | P | Polyproline II helix | trans | -71.7 | 159 | -179.9 | 31.7 | -36.4 | 0 | 0 | 0 | 111.9 | W1477 P1508 | W1477-P1506 HydrophobicContact CZ2-CG 4.27Å; W1477-P1506 PolarHBondContact NE1-O 2.8Å; P1506-P1508 WeakPolarHBondContact O-CD 3.18Å |
| 1507 | Q | 92.2 | Very high | 89.3 | Confident | 77 Ų | 77 | 54.9 Ų | 54.9 | 36% | 0.36 | 30% | 0.304 | S | S | . | . | P | Polyproline II helix | trans | -56.5 | 124.7 | 169.4 | -179.3 | 170.4 | -5.1 | 0 | 0 | 110.7 | C1511 Y1516 | Q1507-C1511 HydrophobicContact CG-CB 4.45Å; Q1507-C1511 PolarHBondContact NE2-O 2.96Å; Q1507-Y1516 VanDerWaalsContact CA-CE2 3.47Å; Q1507-Y1516 HydrophobicContact CB-CD1 3.8Å; Q1507-Y1516 HydrophobicContact CB-CD2 3.84Å; Q1507-Y1516 HydrophobicContact CB-CE1 3.93Å; Q1507-Y1516 HydrophobicContact CB-CE2 3.96Å; Q1507-Y1516 HydrophobicContact CB-CG 3.74Å; Q1507-Y1516 HydrophobicContact CG-CD1 4.11Å; Q1507-Y1516 HydrophobicContact CG-CD2 4.24Å; Q1507-Y1516 HydrophobicContact CG-CG 3.84Å; Q1507-Y1516 VanDerWaalsContact N-CE2 3.33Å |
| 1508 | P | 91.3 | Very high | 89.8 | Confident | 5 Ų | 5 | 50.3 Ų | 50.3 | 3% | 0.032 | 28% | 0.281 | C | S | . | . | P | Polyproline II helix | trans | -64.8 | 143.1 | 171.3 | -19.8 | 32.4 | 0 | 0 | 0 | 110.9 | W1477 F1480 T1481 P1506 I1510 C1511 M1519 | W1477-P1508 HydrophobicContact CG-CG 4.41Å; F1480-P1508 HydrophobicContact CB-CB 4.15Å; F1480-P1508 HydrophobicContact CB-CG 4.19Å; T1481-P1508 HydrophobicContact CG2-CB 3.83Å; T1481-P1508 HydrophobicContact CG2-CG 4.02Å; P1506-P1508 WeakPolarHBondContact O-CD 3.18Å; P1508-I1510 PolarHBondContact O-N 2.7Å; P1508-I1510 VanDerWaalsContact O-N 3.1Å; P1508-C1511 HydrophobicContact CB-CB 4.49Å; P1508-C1511 PolarHBondContact O-N 3.37Å; P1508-M1519 HydrophobicContact CG-CE 4.14Å; P1508-M1519 HydrophobicContact CG-SD 4.36Å |
| 1509 | D | 87.1 | Confident | 90.1 | Very high | 163 Ų | 163 | 47.1 Ų | 47.1 | 87% | 0.872 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -25.5 | -173.6 | -65.3 | -46.2 | 0 | 0 | 0 | 114 | ||
| 1510 | I | 89.3 | Confident | 90.3 | Very high | 20 Ų | 20 | 48.7 Ų | 48.7 | 10% | 0.103 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -17.1 | 175.1 | 66.9 | 164.5 | 0 | 0 | 0 | 113.4 | L1382 F1480 F1482 P1508 L1551 H1552 | L1382-I1510 HydrophobicContact CD1-CD1 3.9Å; F1480-I1510 HydrophobicContact CB-CD1 3.88Å; F1480-I1510 HydrophobicContact CB-CG1 4.04Å; F1480-I1510 HydrophobicContact CD1-CD1 4.33Å; F1480-I1510 HydrophobicContact CG-CD1 4.32Å; F1480-I1510 WeakPolarHBondContact O-CD1 3.39Å; F1480-I1510 WeakPolarHBondContact O-CG1 3.3Å; F1482-I1510 HydrophobicContact CE2-CD1 3.78Å; F1482-I1510 HydrophobicContact CE2-CG2 4.35Å; F1482-I1510 HydrophobicContact CZ-CD1 3.91Å; P1508-I1510 PolarHBondContact O-N 2.7Å; P1508-I1510 VanDerWaalsContact O-N 3.1Å; I1510-L1551 HydrophobicContact CB-CD2 4.37Å; I1510-L1551 HydrophobicContact CD1-CD1 4.29Å; I1510-L1551 HydrophobicContact CD1-CD2 3.68Å; I1510-L1551 HydrophobicContact CG1-CD2 3.8Å; I1510-L1551 CarbonylContact O-C 3.48Å; I1510-L1551 VanDerWaalsContact O-CA 3.23Å; I1510-L1551 WeakPolarHBondContact O-CA 3.28Å; I1510-H1552 PolarHBondContact O-N 3.37Å |
| 1511 | C | 88.5 | Confident | 90.6 | Very high | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.007 | 28% | 0.275 | C | S | . | . | B | Isolated β-bridge | trans | -87.3 | 137.8 | -172.2 | -62.6 | 0 | 0 | 0 | 0 | 112.5 | F1480 Q1507 P1508 L1515 | F1480-C1511 WeakPolarHBondContact CD2-SG 3.37Å; Q1507-C1511 HydrophobicContact CG-CB 4.45Å; Q1507-C1511 PolarHBondContact NE2-O 2.96Å; P1508-C1511 HydrophobicContact CB-CB 4.49Å; P1508-C1511 PolarHBondContact O-N 3.37Å; C1511-L1515 HydrophobicContact CB-CB 4.42Å; C1511-L1515 HydrophobicContact CB-CD2 4.09Å; C1511-L1515 HydrophobicContact CB-CG 4.47Å |
| 1512 | T | 90.2 | Very high | 91.1 | Very high | 20 Ų | 20 | 44.8 Ų | 44.8 | 12% | 0.123 | 24% | 0.242 | C | C | . | . | trans | -71.7 | 163.9 | 163.7 | 67.9 | 0 | 0 | 0 | 0 | 111.5 | E1514 L1515 Y1516 L1549 Y1550 | T1512-E1514 PolarHBondContact O-N 2.95Å; T1512-L1515 PolarHBondContact O-N 3.4Å; T1512-Y1516 PolarHBondContact O-N 2.93Å; T1512-L1549 WeakPolarHBondContact CG2-O 3.37Å; T1512-L1549 PolarHBondContact OG1-O 3.48Å; T1512-Y1550 PolarHBondContact N-O 3.39Å; T1512-Y1550 PolarHBondContact OG1-O 3.2Å | ||
| 1513 | L | 85 | Confident | 91.6 | Very high | 105 Ų | 105 | 43 Ų | 43 | 55% | 0.55 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -58.7 | -35.4 | 178.4 | -179.4 | 60.5 | 0 | 0 | 0 | 111.8 | Y1516 Q1517 | L1513-Y1516 HydrophobicContact CD1-CD1 4.29Å; L1513-Y1516 CarbonylContact O-C 3.53Å; L1513-Y1516 PolarHBondContact O-N 2.86Å; L1513-Q1517 WeakPolarHBondContact O-CB 3.21Å; L1513-Q1517 PolarHBondContact O-N 3.3Å |
| 1514 | E | 86.4 | Confident | 92 | Very high | 122 Ų | 122 | 45.2 Ų | 45.2 | 57% | 0.57 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -64.7 | -44.4 | 179.3 | -62.6 | 173 | 178.3 | 0 | 0 | 111.7 | T1512 Q1517 V1518 | T1512-E1514 PolarHBondContact O-N 2.95Å; E1514-Q1517 VanDerWaalsContact O-CB 3.24Å; E1514-Q1517 WeakPolarHBondContact O-CB 3.39Å; E1514-Q1517 PolarHBondContact O-N 2.88Å; E1514-V1518 PolarHBondContact O-N 3.27Å |
| 1515 | L | 91.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -66.9 | -38.7 | 175.8 | -173.4 | 61.8 | 0 | 0 | 0 | 111.9 | L1383 F1480 C1511 T1512 Q1517 V1518 F1540 F1543 Y1550 L1551 | L1383-L1515 HydrophobicContact CD2-CD1 4.25Å; L1383-L1515 HydrophobicContact CD2-CD2 4.32Å; F1480-L1515 HydrophobicContact CD2-CD2 4.03Å; F1480-L1515 HydrophobicContact CE2-CD1 4.14Å; F1480-L1515 HydrophobicContact CE2-CD2 3.59Å; F1480-L1515 HydrophobicContact CE2-CG 3.98Å; F1480-L1515 HydrophobicContact CZ-CD2 4.23Å; C1511-L1515 HydrophobicContact CB-CB 4.42Å; C1511-L1515 HydrophobicContact CB-CD2 4.09Å; C1511-L1515 HydrophobicContact CB-CG 4.47Å; T1512-L1515 PolarHBondContact O-N 3.4Å; L1515-Q1517 VanDerWaalsContact C-N 3.34Å; L1515-V1518 PolarHBondContact O-N 3.07Å; L1515-F1540 HydrophobicContact CD1-CD1 4.38Å; L1515-F1540 HydrophobicContact CD1-CE1 3.65Å; L1515-F1540 HydrophobicContact CD1-CZ 4.18Å; L1515-F1543 HydrophobicContact CD1-CD2 3.42Å; L1515-F1543 VanDerWaalsContact CD1-CD2 3.42Å; L1515-F1543 HydrophobicContact CD1-CE2 3.48Å; L1515-F1543 VanDerWaalsContact CD1-CE2 3.48Å; L1515-F1543 HydrophobicContact CD1-CG 4.43Å; L1515-Y1550 WeakPolarHBondContact CD2-O 3.14Å; L1515-L1551 HydrophobicContact CD2-CD2 3.35Å; L1515-L1551 HydrophobicContact CD2-CG 3.97Å |
| 1516 | Y | 94.3 | Very high | 91.6 | Very high | 30 Ų | 30 | 51.4 Ų | 51.4 | 12% | 0.118 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -69.2 | -30.5 | 174.3 | 179.6 | -119.4 | 0 | 0 | 0 | 112.7 | L1505 Q1507 T1512 L1513 V1518 M1519 L1520 W1523 | L1505-Y1516 PolarHBondContact O-OH 3.34Å; Q1507-Y1516 VanDerWaalsContact CA-CE2 3.47Å; Q1507-Y1516 HydrophobicContact CB-CD1 3.8Å; Q1507-Y1516 HydrophobicContact CB-CD2 3.84Å; Q1507-Y1516 HydrophobicContact CB-CE1 3.93Å; Q1507-Y1516 HydrophobicContact CB-CE2 3.96Å; Q1507-Y1516 HydrophobicContact CB-CG 3.74Å; Q1507-Y1516 HydrophobicContact CG-CD1 4.11Å; Q1507-Y1516 HydrophobicContact CG-CD2 4.24Å; Q1507-Y1516 HydrophobicContact CG-CG 3.84Å; Q1507-Y1516 VanDerWaalsContact N-CE2 3.33Å; T1512-Y1516 PolarHBondContact O-N 2.93Å; L1513-Y1516 HydrophobicContact CD1-CD1 4.29Å; L1513-Y1516 CarbonylContact O-C 3.53Å; L1513-Y1516 PolarHBondContact O-N 2.86Å; Y1516-V1518 PolarHBondContact O-N 3.46Å; Y1516-M1519 HydrophobicContact CD2-CB 4.27Å; Y1516-M1519 HydrophobicContact CD2-SD 3.96Å; Y1516-M1519 WeakPolarHBondContact O-CA 3.25Å; Y1516-M1519 WeakPolarHBondContact O-CB 3.26Å; Y1516-M1519 PolarHBondContact O-N 3.21Å; Y1516-L1520 HydrophobicContact CD1-CD1 3.97Å; Y1516-L1520 HydrophobicContact CD1-CG 4.27Å; Y1516-L1520 HydrophobicContact CE1-CD1 3.68Å; Y1516-L1520 HydrophobicContact CE1-CD2 4.15Å; Y1516-L1520 HydrophobicContact CE1-CG 3.94Å; Y1516-L1520 HydrophobicContact CE2-CD2 4.34Å; Y1516-L1520 HydrophobicContact CE2-CG 4.36Å; Y1516-L1520 PolarHBondContact O-N 3.43Å; Y1516-W1523 HydrophobicContact CE2-CZ3 4.21Å |
| 1517 | Q | 91.4 | Very high | 91.6 | Very high | 98 Ų | 98 | 48.9 Ų | 48.9 | 46% | 0.458 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -57.4 | -37.5 | 171.8 | -157.8 | 92.4 | 8.4 | 0 | 0 | 111 | L1513 E1514 L1515 L1520 N1521 | L1513-Q1517 WeakPolarHBondContact O-CB 3.21Å; L1513-Q1517 PolarHBondContact O-N 3.3Å; E1514-Q1517 VanDerWaalsContact O-CB 3.24Å; E1514-Q1517 WeakPolarHBondContact O-CB 3.39Å; E1514-Q1517 PolarHBondContact O-N 2.88Å; L1515-Q1517 VanDerWaalsContact C-N 3.34Å; Q1517-L1520 PolarHBondContact O-N 3.24Å; Q1517-N1521 WeakPolarHBondContact O-CB 3.45Å; Q1517-N1521 PolarHBondContact O-N 3.26Å; Q1517-N1521 PolarHBondContact O-ND2 2.95Å; Q1517-N1521 PolarHBondContact O-OD1 2.74Å |
| 1518 | V | 94.4 | Very high | 91.4 | Very high | 8 Ų | 8 | 51.3 Ų | 51.3 | 5% | 0.048 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66.6 | -37.7 | 175.1 | -178.4 | 0 | 0 | 0 | 0 | 111.8 | E1514 L1515 Y1516 N1521 C1522 L1536 M1539 F1540 F1543 | E1514-V1518 PolarHBondContact O-N 3.27Å; L1515-V1518 PolarHBondContact O-N 3.07Å; Y1516-V1518 PolarHBondContact O-N 3.46Å; V1518-N1521 PolarHBondContact O-N 3.07Å; V1518-C1522 PolarHBondContact O-N 2.95Å; V1518-C1522 PolarHBondContact O-SG 3.31Å; V1518-L1536 HydrophobicContact CG1-CD2 3.71Å; V1518-M1539 HydrophobicContact CG1-CE 3.87Å; V1518-M1539 HydrophobicContact CG1-SD 4.26Å; V1518-M1539 HydrophobicContact CG2-SD 3.91Å; V1518-F1540 HydrophobicContact CG1-CE2 3.93Å; V1518-F1540 HydrophobicContact CG1-CZ 4.27Å; V1518-F1543 HydrophobicContact CG2-CE2 3.9Å; V1518-F1543 HydrophobicContact CG2-CZ 3.78Å |
| 1519 | M | 95.2 | Very high | 91.5 | Very high | 3 Ų | 3 | 53.5 Ų | 53.5 | 2% | 0.015 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.1 | -45.4 | 172.1 | -62.1 | -179.7 | 171.1 | 0 | 0 | 111.9 | I1476 W1477 F1480 P1508 Y1516 N1521 C1522 W1523 | I1476-M1519 HydrophobicContact CB-CE 4.36Å; I1476-M1519 HydrophobicContact CG2-CE 3.82Å; W1477-M1519 HydrophobicContact CB-CE 4.25Å; W1477-M1519 HydrophobicContact CB-SD 4.3Å; F1480-M1519 HydrophobicContact CD2-CE 3.48Å; F1480-M1519 VanDerWaalsContact CD2-CE 3.48Å; F1480-M1519 HydrophobicContact CE2-CE 4.03Å; F1480-M1519 HydrophobicContact CG-CE 4.47Å; P1508-M1519 HydrophobicContact CG-CE 4.14Å; P1508-M1519 HydrophobicContact CG-SD 4.36Å; Y1516-M1519 HydrophobicContact CD2-CB 4.27Å; Y1516-M1519 HydrophobicContact CD2-SD 3.96Å; Y1516-M1519 WeakPolarHBondContact O-CA 3.25Å; Y1516-M1519 WeakPolarHBondContact O-CB 3.26Å; Y1516-M1519 PolarHBondContact O-N 3.21Å; M1519-N1521 VanDerWaalsContact C-N 3.28Å; M1519-N1521 PolarHBondContact O-N 3.16Å; M1519-C1522 WeakPolarHBondContact O-CA 3.45Å; M1519-C1522 VanDerWaalsContact O-CB 3.32Å; M1519-C1522 WeakPolarHBondContact O-CB 3.3Å; M1519-C1522 PolarHBondContact O-N 2.94Å; M1519-W1523 HydrophobicContact CB-CE3 4.27Å; M1519-W1523 HydrophobicContact CB-CH2 3.72Å; M1519-W1523 HydrophobicContact CB-CZ2 4.22Å; M1519-W1523 HydrophobicContact CB-CZ3 3.76Å; M1519-W1523 HydrophobicContact CG-CH2 4.32Å; M1519-W1523 VanDerWaalsContact O-CD2 3.32Å; M1519-W1523 PolarHBondContact O-N 2.81Å; M1519-W1523 HydrophobicContact SD-CH2 4.06Å |
| 1520 | L | 94 | Very high | 91.9 | Very high | 35 Ų | 35 | 46 Ų | 46 | 18% | 0.183 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.2 | -38.8 | 176 | -69.1 | 176.8 | 0 | 0 | 0 | 111.9 | Y1516 Q1517 C1522 W1523 N1524 | Y1516-L1520 HydrophobicContact CD1-CD1 3.97Å; Y1516-L1520 HydrophobicContact CD1-CG 4.27Å; Y1516-L1520 HydrophobicContact CE1-CD1 3.68Å; Y1516-L1520 HydrophobicContact CE1-CD2 4.15Å; Y1516-L1520 HydrophobicContact CE1-CG 3.94Å; Y1516-L1520 HydrophobicContact CE2-CD2 4.34Å; Y1516-L1520 HydrophobicContact CE2-CG 4.36Å; Y1516-L1520 PolarHBondContact O-N 3.43Å; Q1517-L1520 PolarHBondContact O-N 3.24Å; L1520-C1522 VanDerWaalsContact C-N 3.35Å; L1520-W1523 HydrophobicContact CD2-CE3 4.37Å; L1520-W1523 CarbonylContact O-C 3.48Å; L1520-W1523 VanDerWaalsContact O-C 3.3Å; L1520-W1523 PolarHBondContact O-N 3.27Å; L1520-W1523 VanDerWaalsContact O-N 3.1Å; L1520-N1524 PolarHBondContact O-N 3.37Å |
| 1521 | N | 95.4 | Very high | 92.2 | Very high | 67 Ų | 67 | 45.6 Ų | 45.6 | 36% | 0.358 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -64.5 | -37.4 | 173.1 | -66.7 | -16.9 | 0 | 0 | 0 | 111.7 | Q1517 V1518 M1519 W1523 N1524 R1530 P1531 | Q1517-N1521 WeakPolarHBondContact O-CB 3.45Å; Q1517-N1521 PolarHBondContact O-N 3.26Å; Q1517-N1521 PolarHBondContact O-ND2 2.95Å; Q1517-N1521 PolarHBondContact O-OD1 2.74Å; V1518-N1521 PolarHBondContact O-N 3.07Å; M1519-N1521 VanDerWaalsContact C-N 3.28Å; M1519-N1521 PolarHBondContact O-N 3.16Å; N1521-W1523 PolarHBondContact O-N 3.15Å; N1521-N1524 PolarHBondContact O-N 2.04Å; N1521-R1530 WeakPolarHBondContact O-CA 3.5Å; N1521-R1530 WeakPolarHBondContact O-CG 3.29Å; N1521-P1531 WeakPolarHBondContact O-CD 3.35Å |
| 1522 | C | 96.8 | Very high | 92.4 | Very high | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.007 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.6 | -26.3 | 171.8 | -63.2 | 0 | 0 | 0 | 0 | 112.9 | V1469 W1470 V1518 M1519 L1520 R1530 | V1469-C1522 HydrophobicContact CG1-CB 4.08Å; W1470-C1522 WeakPolarHBondContact CA-O 3.38Å; V1518-C1522 PolarHBondContact O-N 2.95Å; V1518-C1522 PolarHBondContact O-SG 3.31Å; M1519-C1522 WeakPolarHBondContact O-CA 3.45Å; M1519-C1522 VanDerWaalsContact O-CB 3.32Å; M1519-C1522 WeakPolarHBondContact O-CB 3.3Å; M1519-C1522 PolarHBondContact O-N 2.94Å; L1520-C1522 VanDerWaalsContact C-N 3.35Å; C1522-R1530 VanDerWaalsContact O-CD 3.28Å; C1522-R1530 WeakPolarHBondContact O-CD 3.45Å |
| 1523 | W | 96 | Very high | 92.7 | Very high | 4 Ų | 4 | 46.7 Ų | 46.7 | 2% | 0.015 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | 28.1 | 178 | -49.2 | -44.2 | 0 | 0 | 0 | 114.3 | W1470 G1473 V1474 W1477 R1504 L1505 Y1516 M1519 L1520 N1521 | W1470-W1523 HydrophobicContact CD2-CB 4.3Å; W1470-W1523 AromaticContact CD2-CD1 3.7Å; W1470-W1523 HydrophobicContact CD2-CG 4.36Å; W1470-W1523 AromaticContact CE2-CD1 3.82Å; W1470-W1523 HydrophobicContact CE3-CB 4.03Å; W1470-W1523 AromaticContact CG-CD1 3.82Å; W1470-W1523 HydrophobicContact CH2-CB 4.07Å; W1470-W1523 HydrophobicContact CZ2-CB 4.33Å; W1470-W1523 HydrophobicContact CZ3-CB 3.92Å; W1470-W1523 WeakPolarHBondContact CZ3-O 3.49Å; W1470-W1523 AromaticContact NE1-CD1 4Å; W1470-W1523 PolarHBondContact O-NE1 3.3Å; G1473-W1523 VanDerWaalsContact C-CZ2 3.43Å; G1473-W1523 VanDerWaalsContact O-CZ2 3.31Å; G1473-W1523 WeakPolarHBondContact O-CZ2 3.17Å; V1474-W1523 HydrophobicContact CG2-CZ2 4.3Å; W1477-W1523 HydrophobicContact CB-CH2 4.18Å; W1477-W1523 HydrophobicContact CB-CZ2 4.18Å; W1477-W1523 HydrophobicContact CG-CH2 4.35Å; R1504-W1523 HydrophobicContact CB-CE3 4.19Å; R1504-W1523 PolarHBondContact NE-O 3.4Å; R1504-W1523 PolarHBondContact NH2-O 3.06Å; L1505-W1523 HydrophobicContact CB-CH2 3.64Å; L1505-W1523 HydrophobicContact CB-CZ2 4.26Å; L1505-W1523 HydrophobicContact CB-CZ3 3.97Å; L1505-W1523 HydrophobicContact CD1-CH2 3.96Å; L1505-W1523 HydrophobicContact CD1-CZ2 3.73Å; L1505-W1523 HydrophobicContact CG-CH2 4.16Å; L1505-W1523 HydrophobicContact CG-CZ2 4.28Å; Y1516-W1523 HydrophobicContact CE2-CZ3 4.21Å; M1519-W1523 HydrophobicContact CB-CE3 4.27Å; M1519-W1523 HydrophobicContact CB-CH2 3.72Å; M1519-W1523 HydrophobicContact CB-CZ2 4.22Å; M1519-W1523 HydrophobicContact CB-CZ3 3.76Å; M1519-W1523 HydrophobicContact CG-CH2 4.32Å; M1519-W1523 VanDerWaalsContact O-CD2 3.32Å; M1519-W1523 PolarHBondContact O-N 2.81Å; M1519-W1523 HydrophobicContact SD-CH2 4.06Å; L1520-W1523 HydrophobicContact CD2-CE3 4.37Å; L1520-W1523 CarbonylContact O-C 3.48Å; L1520-W1523 VanDerWaalsContact O-C 3.3Å; L1520-W1523 PolarHBondContact O-N 3.27Å; L1520-W1523 VanDerWaalsContact O-N 3.1Å; N1521-W1523 PolarHBondContact O-N 3.15Å |
| 1524 | N | 94 | Very high | 93.2 | Very high | 57 Ų | 57 | 43.6 Ų | 43.6 | 31% | 0.305 | 23% | 0.231 | S | C | . | . | trans | -63.2 | 141.1 | 171.7 | -159.9 | -43.5 | 0 | 0 | 0 | 110.4 | L1520 N1521 N1526 A1529 R1530 | L1520-N1524 PolarHBondContact O-N 3.37Å; N1521-N1524 PolarHBondContact O-N 2.04Å; N1524-N1526 VanDerWaalsContact C-N 3.35Å; N1524-N1526 PolarHBondContact OD1-N 3.32Å; N1524-N1526 VanDerWaalsContact OD1-N 3.14Å; N1524-A1529 HydrophobicContact CB-CB 4.42Å; N1524-A1529 VanDerWaalsContact ND2-CB 3.3Å; N1524-A1529 WeakPolarHBondContact ND2-CB 2.98Å; N1524-R1530 HydrophobicContact CB-CG 3.86Å; N1524-R1530 PolarHBondContact O-NE 2.88Å; N1524-R1530 PolarHBondContact O-NH2 2.65Å | ||
| 1525 | E | 88.6 | Confident | 93.6 | Very high | 102 Ų | 102 | 42.2 Ų | 42.2 | 48% | 0.477 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -69.6 | -36.3 | 179.8 | -64.3 | -172 | 166 | 0 | 0 | 111.6 | G1502 R1504 P1527 | G1502-E1525 WeakPolarHBondContact CA-OE1 3.13Å; R1504-E1525 IonicContact CZ-OE1 3.45Å; R1504-E1525 IonicContact NH1-OE1 2.84Å; R1504-E1525 IonicContact NH2-OE1 3.33Å; R1504-E1525 PolarHBondContact NH2-OE1 3.23Å; E1525-P1527 WeakPolarHBondContact O-CD 3.28Å |
| 1526 | N | 90.6 | Very high | 93.8 | Very high | 78 Ų | 78 | 42.2 Ų | 42.2 | 42% | 0.417 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -76.6 | 118.3 | 167.9 | -179.5 | -1.3 | 0 | 0 | 0 | 109.4 | N1524 D1528 A1529 | N1524-N1526 VanDerWaalsContact C-N 3.35Å; N1524-N1526 PolarHBondContact OD1-N 3.32Å; N1524-N1526 VanDerWaalsContact OD1-N 3.14Å; N1526-D1528 VanDerWaalsContact C-N 3.27Å; N1526-D1528 PolarHBondContact O-N 3.1Å; N1526-D1528 WeakPolarHBondContact OD1-CB 3.49Å; N1526-D1528 PolarHBondContact OD1-N 2.92Å; N1526-A1529 HydrophobicContact CB-CB 4.07Å; N1526-A1529 PolarHBondContact O-N 2.84Å |
| 1527 | P | 90.7 | Very high | 94 | Very high | 30 Ų | 30 | 42.8 Ų | 42.8 | 20% | 0.195 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -59.9 | -35.1 | 177 | -21.2 | 33.9 | 0 | 0 | 0 | 112.9 | E1456 K1466 E1525 A1529 R1530 | E1456-P1527 HydrophobicContact CG-CG 4.38Å; E1456-P1527 WeakPolarHBondContact OE1-CG 3.3Å; K1466-P1527 HydrophobicContact CB-CB 3.68Å; K1466-P1527 VanDerWaalsContact CD-O 3.22Å; K1466-P1527 WeakPolarHBondContact CD-O 3.28Å; K1466-P1527 WeakPolarHBondContact CE-O 3.3Å; K1466-P1527 HydrophobicContact CG-CB 4.04Å; K1466-P1527 WeakPolarHBondContact CG-O 3.41Å; K1466-P1527 PolarHBondContact NZ-O 3.07Å; E1525-P1527 WeakPolarHBondContact O-CD 3.28Å; P1527-A1529 VanDerWaalsContact C-N 3.28Å; P1527-A1529 PolarHBondContact O-N 3.11Å; P1527-R1530 WeakPolarHBondContact O-CB 3.4Å; P1527-R1530 PolarHBondContact O-N 3.1Å |
| 1528 | D | 89.7 | Confident | 94.1 | Very high | 128 Ų | 128 | 41.7 Ų | 41.7 | 68% | 0.684 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65 | -34 | -179.6 | -67.8 | -37.8 | 0 | 0 | 0 | 112.4 | K1466 N1526 R1530 | K1466-D1528 VanDerWaalsContact NZ-C 3.32Å; K1466-D1528 PolarHBondContact NZ-O 3.27Å; N1526-D1528 VanDerWaalsContact C-N 3.27Å; N1526-D1528 PolarHBondContact O-N 3.1Å; N1526-D1528 WeakPolarHBondContact OD1-CB 3.49Å; N1526-D1528 PolarHBondContact OD1-N 2.92Å; D1528-R1530 VanDerWaalsContact C-N 3.26Å; D1528-R1530 PolarHBondContact O-N 3.06Å |
| 1529 | A | 91.8 | Very high | 94.1 | Very high | 52 Ų | 52 | 43.9 Ų | 43.9 | 43% | 0.43 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | 1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | N1524 N1526 P1527 | N1524-A1529 HydrophobicContact CB-CB 4.42Å; N1524-A1529 VanDerWaalsContact ND2-CB 3.3Å; N1524-A1529 WeakPolarHBondContact ND2-CB 2.98Å; N1526-A1529 HydrophobicContact CB-CB 4.07Å; N1526-A1529 PolarHBondContact O-N 2.84Å; P1527-A1529 VanDerWaalsContact C-N 3.28Å; P1527-A1529 PolarHBondContact O-N 3.11Å |
| 1530 | R | 96 | Very high | 94.1 | Very high | 4 Ų | 4 | 43.8 Ų | 43.8 | 2% | 0.015 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -81.1 | 143 | 167 | -54.4 | 175.8 | -168.4 | 147.9 | 16.6 | 110.1 | E1456 K1466 V1469 N1521 C1522 N1524 P1527 D1528 | E1456-R1530 IonicContact OE1-CZ 2.69Å; E1456-R1530 IonicContact OE1-NH1 3.61Å; E1456-R1530 PolarHBondContact OE1-NH1 2.82Å; E1456-R1530 IonicContact OE1-NH2 3.9Å; E1456-R1530 PolarHBondContact OE1-NH2 3.24Å; E1456-R1530 IonicContact OE2-CZ 3.43Å; E1456-R1530 IonicContact OE2-NH1 2.74Å; E1456-R1530 PolarHBondContact OE2-NH1 2.82Å; E1456-R1530 IonicContact OE2-NH2 3.21Å; E1456-R1530 PolarHBondContact OE2-NH2 2.84Å; K1466-R1530 PolarHBondContact NZ-O 3.3Å; K1466-R1530 WeakPolarHBondContact O-CD 3.49Å; K1466-R1530 PolarHBondContact O-NH1 3.09Å; V1469-R1530 HydrophobicContact CG1-CB 3.9Å; N1521-R1530 WeakPolarHBondContact O-CA 3.5Å; N1521-R1530 WeakPolarHBondContact O-CG 3.29Å; C1522-R1530 VanDerWaalsContact O-CD 3.28Å; C1522-R1530 WeakPolarHBondContact O-CD 3.45Å; N1524-R1530 HydrophobicContact CB-CG 3.86Å; N1524-R1530 PolarHBondContact O-NE 2.88Å; N1524-R1530 PolarHBondContact O-NH2 2.65Å; P1527-R1530 WeakPolarHBondContact O-CB 3.4Å; P1527-R1530 PolarHBondContact O-N 3.1Å; D1528-R1530 VanDerWaalsContact C-N 3.26Å; D1528-R1530 PolarHBondContact O-N 3.06Å |
| 1531 | P | 95.3 | Very high | 94 | Very high | 12 Ų | 12 | 46.2 Ų | 46.2 | 8% | 0.078 | 24% | 0.243 | C | C | . | . | P | Polyproline II helix | trans | -62.4 | 160.9 | 175.6 | 28.6 | -35.6 | 0 | 0 | 0 | 111.3 | V1469 N1521 E1535 L1536 M1539 | V1469-P1531 HydrophobicContact CG1-CG 4.42Å; V1469-P1531 WeakPolarHBondContact CG1-O 3.44Å; V1469-P1531 WeakPolarHBondContact CG2-O 3.32Å; N1521-P1531 WeakPolarHBondContact O-CD 3.35Å; P1531-E1535 WeakPolarHBondContact CA-OE2 3.23Å; P1531-E1535 HydrophobicContact CB-CB 4.16Å; P1531-E1535 WeakPolarHBondContact CB-OE2 3.37Å; P1531-L1536 HydrophobicContact CB-CD2 4.39Å; P1531-L1536 HydrophobicContact CB-CG 4.15Å; P1531-L1536 HydrophobicContact CG-CD1 4.18Å; P1531-L1536 HydrophobicContact CG-CD2 3.75Å; P1531-L1536 HydrophobicContact CG-CG 3.89Å; P1531-M1539 HydrophobicContact CB-CE 4.08Å; P1531-M1539 HydrophobicContact CG-CE 4.37Å |
| 1532 | N | 93.5 | Very high | 93.8 | Very high | 45 Ų | 45 | 46.4 Ų | 46.4 | 24% | 0.241 | 24% | 0.244 | C | C | . | . | P | Polyproline II helix | trans | -89.7 | 169.5 | 168.3 | 68.8 | 64.7 | 0 | 0 | 0 | 111.7 | V1534 E1535 L1536 | N1532-V1534 VanDerWaalsContact C-N 3.29Å; N1532-V1534 PolarHBondContact O-N 3.29Å; N1532-V1534 WeakPolarHBondContact OD1-CA 3.05Å; N1532-V1534 WeakPolarHBondContact OD1-CB 3.46Å; N1532-V1534 PolarHBondContact OD1-N 3.01Å; N1532-E1535 PolarHBondContact N-OE2 3.21Å; N1532-E1535 PolarHBondContact ND2-OE1 2.98Å; N1532-E1535 PolarHBondContact ND2-OE2 2.91Å; N1532-E1535 WeakPolarHBondContact O-CB 3.38Å; N1532-E1535 PolarHBondContact O-N 3.47Å; N1532-E1535 PolarHBondContact OD1-N 3.37Å; N1532-L1536 WeakPolarHBondContact O-CG 3.33Å; N1532-L1536 PolarHBondContact O-N 3.39Å |
| 1533 | F | 96.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -67.5 | -25.8 | -176.6 | -77.4 | -66.1 | 0 | 0 | 0 | 114.4 | M1393 A1394 Q1397 D1468 V1469 Y1472 L1536 Y1537 | M1393-F1533 HydrophobicContact CB-CB 4.36Å; M1393-F1533 HydrophobicContact CB-CD1 3.37Å; M1393-F1533 HydrophobicContact CB-CD2 3.84Å; M1393-F1533 HydrophobicContact CB-CE1 3.41Å; M1393-F1533 VanDerWaalsContact CB-CE1 3.41Å; M1393-F1533 HydrophobicContact CB-CE2 3.88Å; M1393-F1533 HydrophobicContact CB-CG 3.59Å; M1393-F1533 HydrophobicContact CB-CZ 3.67Å; M1393-F1533 HydrophobicContact CE-CE1 4.44Å; M1393-F1533 HydrophobicContact CE-CE2 3.74Å; M1393-F1533 HydrophobicContact CE-CZ 3.65Å; M1393-F1533 HydrophobicContact CG-CD1 4.27Å; M1393-F1533 HydrophobicContact CG-CE1 3.84Å; M1393-F1533 HydrophobicContact CG-CZ 4Å; A1394-F1533 HydrophobicContact CB-CB 3.79Å; Q1397-F1533 HydrophobicContact CB-CD2 4.46Å; D1468-F1533 HydrophobicContact CB-CE2 3.89Å; D1468-F1533 HydrophobicContact CB-CZ 3.9Å; V1469-F1533 HydrophobicContact CB-CZ 4.4Å; V1469-F1533 HydrophobicContact CG2-CD1 4.42Å; V1469-F1533 HydrophobicContact CG2-CD2 3.99Å; V1469-F1533 HydrophobicContact CG2-CE1 4.1Å; V1469-F1533 HydrophobicContact CG2-CE2 3.64Å; V1469-F1533 HydrophobicContact CG2-CG 4.37Å; V1469-F1533 HydrophobicContact CG2-CZ 3.7Å; Y1472-F1533 HydrophobicContact CD2-CD1 4.44Å; Y1472-F1533 AromaticContact CD2-CE1 3.83Å; Y1472-F1533 HydrophobicContact CD2-CE1 3.83Å; Y1472-F1533 AromaticContact CG-CE1 3.76Å; Y1472-F1533 HydrophobicContact CG-CE1 3.76Å; F1533-L1536 HydrophobicContact CD1-CD1 3.97Å; F1533-L1536 HydrophobicContact CE1-CD1 4.26Å; F1533-Y1537 VanDerWaalsContact O-CB 3.32Å; F1533-Y1537 WeakPolarHBondContact O-CB 3.36Å; F1533-Y1537 PolarHBondContact O-N 3.36Å |
| 1534 | V | 94.4 | Very high | 93.3 | Very high | 39 Ų | 39 | 48 Ų | 48 | 24% | 0.236 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -73.1 | -38.2 | 175 | -173.7 | 0 | 0 | 0 | 0 | 110.7 | Y1149 A1394 N1532 N1538 | Y1149-V1534 HydrophobicContact CD2-CG1 4.13Å; Y1149-V1534 HydrophobicContact CD2-CG2 3.74Å; Y1149-V1534 HydrophobicContact CE2-CG1 4.26Å; Y1149-V1534 HydrophobicContact CE2-CG2 3.69Å; A1394-V1534 HydrophobicContact CB-CG2 4.07Å; N1532-V1534 VanDerWaalsContact C-N 3.29Å; N1532-V1534 PolarHBondContact O-N 3.29Å; N1532-V1534 WeakPolarHBondContact OD1-CA 3.05Å; N1532-V1534 WeakPolarHBondContact OD1-CB 3.46Å; N1532-V1534 PolarHBondContact OD1-N 3.01Å; V1534-N1538 PolarHBondContact O-N 2.8Å; V1534-N1538 VanDerWaalsContact O-N 3.07Å; V1534-N1538 PolarHBondContact O-ND2 3.3Å |
| 1535 | E | 95.2 | Very high | 93 | Very high | 93 Ų | 93 | 53.3 Ų | 53.3 | 44% | 0.435 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.7 | -45.2 | 171.1 | -72.2 | 159.9 | -177.4 | 0 | 0 | 111.3 | P1531 N1532 N1538 M1539 | P1531-E1535 WeakPolarHBondContact CA-OE2 3.23Å; P1531-E1535 HydrophobicContact CB-CB 4.16Å; P1531-E1535 WeakPolarHBondContact CB-OE2 3.37Å; N1532-E1535 PolarHBondContact N-OE2 3.21Å; N1532-E1535 PolarHBondContact ND2-OE1 2.98Å; N1532-E1535 PolarHBondContact ND2-OE2 2.91Å; N1532-E1535 WeakPolarHBondContact O-CB 3.38Å; N1532-E1535 PolarHBondContact O-N 3.47Å; N1532-E1535 PolarHBondContact OD1-N 3.37Å; E1535-N1538 PolarHBondContact O-N 3.14Å; E1535-M1539 HydrophobicContact CB-CE 4.36Å; E1535-M1539 WeakPolarHBondContact O-CG 3.4Å; E1535-M1539 PolarHBondContact O-N 3.06Å |
| 1536 | L | 96.9 | Very high | 93 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.1 | -47.6 | 176.3 | -71 | 162.8 | 0 | 0 | 0 | 111.6 | A1390 V1469 Y1472 V1518 P1531 N1532 F1533 N1538 M1539 F1540 | A1390-L1536 HydrophobicContact CB-CB 4.17Å; V1469-L1536 HydrophobicContact CG1-CD1 4.07Å; V1469-L1536 HydrophobicContact CG2-CD1 4.17Å; Y1472-L1536 HydrophobicContact CD1-CD1 3.79Å; Y1472-L1536 HydrophobicContact CD1-CD2 4.28Å; Y1472-L1536 HydrophobicContact CE1-CB 4.25Å; Y1472-L1536 HydrophobicContact CE1-CD1 3.96Å; Y1472-L1536 HydrophobicContact CE1-CD2 3.84Å; Y1472-L1536 HydrophobicContact CE1-CG 4.24Å; Y1472-L1536 HydrophobicContact CG-CD1 4.45Å; V1518-L1536 HydrophobicContact CG1-CD2 3.71Å; P1531-L1536 HydrophobicContact CB-CD2 4.39Å; P1531-L1536 HydrophobicContact CB-CG 4.15Å; P1531-L1536 HydrophobicContact CG-CD1 4.18Å; P1531-L1536 HydrophobicContact CG-CD2 3.75Å; P1531-L1536 HydrophobicContact CG-CG 3.89Å; N1532-L1536 WeakPolarHBondContact O-CG 3.33Å; N1532-L1536 PolarHBondContact O-N 3.39Å; F1533-L1536 HydrophobicContact CD1-CD1 3.97Å; F1533-L1536 HydrophobicContact CE1-CD1 4.26Å; L1536-N1538 VanDerWaalsContact C-N 3.33Å; L1536-N1538 PolarHBondContact O-N 3.19Å; L1536-M1539 HydrophobicContact CD2-CE 3.84Å; L1536-M1539 HydrophobicContact CG-CE 4.28Å; L1536-M1539 PolarHBondContact O-N 3.23Å; L1536-F1540 HydrophobicContact CD2-CE2 4.13Å; L1536-F1540 VanDerWaalsContact O-CD2 3.31Å; L1536-F1540 WeakPolarHBondContact O-CD2 3.47Å; L1536-F1540 PolarHBondContact O-N 3.09Å |
| 1537 | Y | 96.6 | Very high | 92.7 | Very high | 43 Ų | 43 | 50.3 Ų | 50.3 | 17% | 0.169 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -53 | -50.7 | 174.7 | 171.9 | -106.3 | 0 | 0 | 0 | 111.7 | S1387 D1391 F1533 K1541 | S1387-Y1537 WeakPolarHBondContact O-CD2 3.48Å; D1391-Y1537 HydrophobicContact CB-CD2 3.61Å; D1391-Y1537 HydrophobicContact CB-CE2 3.65Å; F1533-Y1537 VanDerWaalsContact O-CB 3.32Å; F1533-Y1537 WeakPolarHBondContact O-CB 3.36Å; F1533-Y1537 PolarHBondContact O-N 3.36Å; Y1537-K1541 HydrophobicContact CD1-CD 4.46Å; Y1537-K1541 HydrophobicContact CE1-CD 3.75Å; Y1537-K1541 HydrophobicContact CE2-CD 4.3Å; Y1537-K1541 WeakPolarHBondContact O-CB 3.42Å; Y1537-K1541 PolarHBondContact O-N 3.37Å; Y1537-K1541 PolarHBondContact OH-NZ 3.34Å |
| 1538 | N | 94 | Very high | 92.3 | Very high | 74 Ų | 74 | 54.8 Ų | 54.8 | 40% | 0.396 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -63.9 | -43.7 | 179.4 | -72 | -49.6 | 0 | 0 | 0 | 112 | V1534 E1535 L1536 K1541 D1542 | V1534-N1538 PolarHBondContact O-N 2.8Å; V1534-N1538 VanDerWaalsContact O-N 3.07Å; V1534-N1538 PolarHBondContact O-ND2 3.3Å; E1535-N1538 PolarHBondContact O-N 3.14Å; L1536-N1538 VanDerWaalsContact C-N 3.33Å; L1536-N1538 PolarHBondContact O-N 3.19Å; N1538-K1541 PolarHBondContact O-N 3.12Å; N1538-D1542 VanDerWaalsContact O-CB 3.3Å; N1538-D1542 WeakPolarHBondContact O-CB 3.41Å; N1538-D1542 PolarHBondContact O-N 2.74Å |
| 1539 | M | 94.6 | Very high | 92.1 | Very high | 54 Ų | 54 | 52.3 Ų | 52.3 | 27% | 0.266 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -60.1 | -51.4 | 176.9 | -74.3 | -174.9 | -69.5 | 0 | 0 | 112.1 | V1518 P1531 E1535 L1536 K1541 D1542 F1543 | V1518-M1539 HydrophobicContact CG1-CE 3.87Å; V1518-M1539 HydrophobicContact CG1-SD 4.26Å; V1518-M1539 HydrophobicContact CG2-SD 3.91Å; P1531-M1539 HydrophobicContact CB-CE 4.08Å; P1531-M1539 HydrophobicContact CG-CE 4.37Å; E1535-M1539 HydrophobicContact CB-CE 4.36Å; E1535-M1539 WeakPolarHBondContact O-CG 3.4Å; E1535-M1539 PolarHBondContact O-N 3.06Å; L1536-M1539 HydrophobicContact CD2-CE 3.84Å; L1536-M1539 HydrophobicContact CG-CE 4.28Å; L1536-M1539 PolarHBondContact O-N 3.23Å; M1539-K1541 VanDerWaalsContact C-N 3.33Å; M1539-K1541 PolarHBondContact O-N 3.45Å; M1539-D1542 PolarHBondContact O-N 3.34Å; M1539-F1543 HydrophobicContact CB-CE2 4.14Å; M1539-F1543 HydrophobicContact CB-CZ 4.13Å; M1539-F1543 VanDerWaalsContact O-CD1 3.31Å; M1539-F1543 WeakPolarHBondContact O-CD1 3.27Å; M1539-F1543 WeakPolarHBondContact O-CD2 3.42Å; M1539-F1543 WeakPolarHBondContact O-CG 3.41Å; M1539-F1543 PolarHBondContact O-N 3.47Å |
| 1540 | F | 95.1 | Very high | 92 | Very high | 2 Ų | 2 | 51.6 Ų | 51.6 | 1% | 0.009 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -67.6 | -32.9 | -179.9 | -77.5 | -81.8 | 0 | 0 | 0 | 112.8 | L1383 A1386 Y1472 I1476 F1480 L1515 V1518 L1536 F1543 A1544 | L1383-F1540 HydrophobicContact CD2-CD1 4.05Å; L1383-F1540 HydrophobicContact CD2-CE1 4.43Å; A1386-F1540 HydrophobicContact CB-CB 4.28Å; A1386-F1540 HydrophobicContact CB-CD1 3.41Å; A1386-F1540 VanDerWaalsContact CB-CD1 3.41Å; A1386-F1540 HydrophobicContact CB-CE1 3.83Å; A1386-F1540 HydrophobicContact CB-CG 3.81Å; Y1472-F1540 HydrophobicContact CE1-CD2 4.38Å; Y1472-F1540 AromaticContact CE1-CE2 3.84Å; Y1472-F1540 HydrophobicContact CE1-CE2 3.84Å; Y1472-F1540 WeakPolarHBondContact OH-CD2 3.03Å; Y1472-F1540 VanDerWaalsContact OH-CE2 3.3Å; Y1472-F1540 WeakPolarHBondContact OH-CE2 3.37Å; I1476-F1540 HydrophobicContact CG1-CZ 4.34Å; I1476-F1540 HydrophobicContact CG2-CE1 3.86Å; I1476-F1540 HydrophobicContact CG2-CZ 3.82Å; F1480-F1540 AromaticContact CE2-CE1 3.94Å; F1480-F1540 HydrophobicContact CE2-CE1 3.94Å; F1480-F1540 HydrophobicContact CZ-CD1 4.4Å; F1480-F1540 AromaticContact CZ-CE1 3.82Å; F1480-F1540 HydrophobicContact CZ-CE1 3.82Å; L1515-F1540 HydrophobicContact CD1-CD1 4.38Å; L1515-F1540 HydrophobicContact CD1-CE1 3.65Å; L1515-F1540 HydrophobicContact CD1-CZ 4.18Å; V1518-F1540 HydrophobicContact CG1-CE2 3.93Å; V1518-F1540 HydrophobicContact CG1-CZ 4.27Å; L1536-F1540 HydrophobicContact CD2-CE2 4.13Å; L1536-F1540 VanDerWaalsContact O-CD2 3.31Å; L1536-F1540 WeakPolarHBondContact O-CD2 3.47Å; L1536-F1540 PolarHBondContact O-N 3.09Å; F1540-F1543 HydrophobicContact CD1-CD2 4.04Å; F1540-F1543 HydrophobicContact CE1-CD2 4.31Å; F1540-F1543 HydrophobicContact CG-CD2 4.37Å; F1540-F1543 PolarHBondContact O-N 2.73Å; F1540-A1544 WeakPolarHBondContact O-CB 3.5Å; F1540-A1544 PolarHBondContact O-N 3.32Å |
| 1541 | K | 92.1 | Very high | 91.6 | Very high | 86 Ų | 86 | 51.5 Ų | 51.5 | 37% | 0.374 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -69.7 | -32 | 173.1 | -173.6 | 176.5 | -170.8 | 174.9 | 0 | 113.2 | Y1537 N1538 M1539 | Y1537-K1541 HydrophobicContact CD1-CD 4.46Å; Y1537-K1541 HydrophobicContact CE1-CD 3.75Å; Y1537-K1541 HydrophobicContact CE2-CD 4.3Å; Y1537-K1541 WeakPolarHBondContact O-CB 3.42Å; Y1537-K1541 PolarHBondContact O-N 3.37Å; Y1537-K1541 PolarHBondContact OH-NZ 3.34Å; N1538-K1541 PolarHBondContact O-N 3.12Å; M1539-K1541 VanDerWaalsContact C-N 3.33Å; M1539-K1541 PolarHBondContact O-N 3.45Å |
| 1542 | D | 91 | Very high | 90.9 | Very high | 70 Ų | 70 | 55.3 Ų | 55.3 | 37% | 0.374 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -72.6 | -43.2 | 171.6 | -75 | 0.2 | 0 | 0 | 0 | 110.3 | N1538 M1539 A1544 R1545 | N1538-D1542 VanDerWaalsContact O-CB 3.3Å; N1538-D1542 WeakPolarHBondContact O-CB 3.41Å; N1538-D1542 PolarHBondContact O-N 2.74Å; M1539-D1542 PolarHBondContact O-N 3.34Å; D1542-A1544 VanDerWaalsContact C-N 3.33Å; D1542-A1544 PolarHBondContact O-N 2.82Å; D1542-R1545 VanDerWaalsContact O-CB 3.3Å; D1542-R1545 WeakPolarHBondContact O-CB 3.29Å; D1542-R1545 PolarHBondContact O-N 3.37Å; D1542-R1545 IonicContact OD1-CZ 3.32Å; D1542-R1545 IonicContact OD1-NH1 3.75Å; D1542-R1545 PolarHBondContact OD1-NH1 3.02Å; D1542-R1545 IonicContact OD1-NH2 2.72Å; D1542-R1545 PolarHBondContact OD1-NH2 3.45Å; D1542-R1545 IonicContact OD2-NH1 2.68Å |
| 1543 | F | 93.4 | Very high | 89.6 | Confident | 21 Ų | 21 | 57.5 Ų | 57.5 | 9% | 0.092 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.3 | -40.5 | 174.9 | -59.2 | -21.5 | 0 | 0 | 0 | 112.2 | L1383 L1515 V1518 M1539 F1540 R1545 Q1546 Y1550 | L1383-F1543 HydrophobicContact CD1-CB 4.27Å; L1383-F1543 HydrophobicContact CD2-CB 4.02Å; L1515-F1543 HydrophobicContact CD1-CD2 3.42Å; L1515-F1543 VanDerWaalsContact CD1-CD2 3.42Å; L1515-F1543 HydrophobicContact CD1-CE2 3.48Å; L1515-F1543 VanDerWaalsContact CD1-CE2 3.48Å; L1515-F1543 HydrophobicContact CD1-CG 4.43Å; V1518-F1543 HydrophobicContact CG2-CE2 3.9Å; V1518-F1543 HydrophobicContact CG2-CZ 3.78Å; M1539-F1543 HydrophobicContact CB-CE2 4.14Å; M1539-F1543 HydrophobicContact CB-CZ 4.13Å; M1539-F1543 VanDerWaalsContact O-CD1 3.31Å; M1539-F1543 WeakPolarHBondContact O-CD1 3.27Å; M1539-F1543 WeakPolarHBondContact O-CD2 3.42Å; M1539-F1543 WeakPolarHBondContact O-CG 3.41Å; M1539-F1543 PolarHBondContact O-N 3.47Å; F1540-F1543 HydrophobicContact CD1-CD2 4.04Å; F1540-F1543 HydrophobicContact CE1-CD2 4.31Å; F1540-F1543 HydrophobicContact CG-CD2 4.37Å; F1540-F1543 PolarHBondContact O-N 2.73Å; F1543-R1545 PolarHBondContact O-N 2.91Å; F1543-R1545 VanDerWaalsContact O-N 3.12Å; F1543-Q1546 CarbonylContact O-C 3.45Å; F1543-Q1546 PolarHBondContact O-N 2.86Å; F1543-Y1550 HydrophobicContact CB-CD2 3.59Å; F1543-Y1550 HydrophobicContact CB-CE2 4.08Å; F1543-Y1550 HydrophobicContact CB-CG 3.83Å; F1543-Y1550 AromaticContact CD1-CD1 3.56Å; F1543-Y1550 HydrophobicContact CD1-CD1 3.56Å; F1543-Y1550 AromaticContact CD1-CD2 3.76Å; F1543-Y1550 HydrophobicContact CD1-CD2 3.76Å; F1543-Y1550 AromaticContact CD1-CE1 3.39Å; F1543-Y1550 HydrophobicContact CD1-CE1 3.39Å; F1543-Y1550 AromaticContact CD1-CE2 3.6Å; F1543-Y1550 HydrophobicContact CD1-CE2 3.6Å; F1543-Y1550 AromaticContact CD1-CG 3.73Å; F1543-Y1550 HydrophobicContact CD1-CG 3.73Å; F1543-Y1550 AromaticContact CD1-CZ 3.41Å; F1543-Y1550 VanDerWaalsContact CD1-CZ 3.41Å; F1543-Y1550 AromaticContact CE1-CD1 3.79Å; F1543-Y1550 HydrophobicContact CE1-CD1 3.79Å; F1543-Y1550 AromaticContact CE1-CE1 3.47Å; F1543-Y1550 HydrophobicContact CE1-CE1 3.47Å; F1543-Y1550 VanDerWaalsContact CE1-CE1 3.47Å; F1543-Y1550 HydrophobicContact CE1-CE2 4.47Å; F1543-Y1550 HydrophobicContact CE1-CG 4.41Å; F1543-Y1550 AromaticContact CE1-CZ 3.85Å; F1543-Y1550 AromaticContact CG-CD1 3.98Å; F1543-Y1550 HydrophobicContact CG-CD1 3.98Å; F1543-Y1550 AromaticContact CG-CD2 3.9Å; F1543-Y1550 HydrophobicContact CG-CD2 3.9Å; F1543-Y1550 HydrophobicContact CG-CE1 4.27Å; F1543-Y1550 HydrophobicContact CG-CE2 4.19Å; F1543-Y1550 AromaticContact CG-CG 3.78Å; F1543-Y1550 HydrophobicContact CG-CG 3.78Å; F1543-Y1550 HydrophobicContact CZ-CD1 4.4Å; F1543-Y1550 HydrophobicContact CZ-CE1 4.4Å |
| 1544 | A | 88.6 | Confident | 88 | Confident | 17 Ų | 17 | 63.2 Ų | 63.2 | 14% | 0.14 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -15 | 175 | 0 | 0 | 0 | 0 | 0 | 113.9 | L1380 L1383 F1540 D1542 | L1380-A1544 HydrophobicContact CD1-CB 4.2Å; L1380-A1544 VanDerWaalsContact CD1-O 3.3Å; L1380-A1544 WeakPolarHBondContact CD1-O 3.33Å; L1383-A1544 HydrophobicContact CB-CB 4.08Å; F1540-A1544 WeakPolarHBondContact O-CB 3.5Å; F1540-A1544 PolarHBondContact O-N 3.32Å; D1542-A1544 VanDerWaalsContact C-N 3.33Å; D1542-A1544 PolarHBondContact O-N 2.82Å |
| 1545 | R | 89 | Confident | 85.5 | Confident | 169 Ų | 169 | 68.2 Ų | 68.2 | 64% | 0.638 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -26.6 | 170.6 | -56.8 | -170.7 | -171.9 | 113 | 24.4 | 113 | D1542 F1543 | D1542-R1545 VanDerWaalsContact O-CB 3.3Å; D1542-R1545 WeakPolarHBondContact O-CB 3.29Å; D1542-R1545 PolarHBondContact O-N 3.37Å; D1542-R1545 IonicContact OD1-CZ 3.32Å; D1542-R1545 IonicContact OD1-NH1 3.75Å; D1542-R1545 PolarHBondContact OD1-NH1 3.02Å; D1542-R1545 IonicContact OD1-NH2 2.72Å; D1542-R1545 PolarHBondContact OD1-NH2 3.45Å; D1542-R1545 IonicContact OD2-NH1 2.68Å; F1543-R1545 PolarHBondContact O-N 2.91Å; F1543-R1545 VanDerWaalsContact O-N 3.12Å |
| 1546 | Q | 86.9 | Confident | 82.5 | Confident | 94 Ų | 94 | 73.1 Ų | 73.1 | 44% | 0.439 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -138.4 | 62 | -178.1 | -63.8 | 177.9 | -50 | 0 | 0 | 111.1 | F1543 H1548 L1549 Y1550 | F1543-Q1546 CarbonylContact O-C 3.45Å; F1543-Q1546 PolarHBondContact O-N 2.86Å; Q1546-H1548 PolarHBondContact O-N 3.5Å; Q1546-L1549 HydrophobicContact CB-CD1 3.82Å; Q1546-L1549 HydrophobicContact CB-CG 4.1Å; Q1546-L1549 HydrophobicContact CG-CD1 4.34Å; Q1546-L1549 PolarHBondContact O-N 2.83Å; Q1546-Y1550 HydrophobicContact CB-CE2 4.36Å; Q1546-Y1550 WeakPolarHBondContact O-CD2 3.48Å |
| 1547 | P | 85.6 | Confident | 79.3 | Confident | 24 Ų | 24 | 77.6 Ų | 77.6 | 16% | 0.156 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -53.7 | -36.6 | -169.1 | -29.7 | 37.2 | 0 | 0 | 0 | 114.4 | L1380 L1383 L1549 Y1550 L1551 | L1380-P1547 HydrophobicContact CB-CG 4.08Å; L1380-P1547 HydrophobicContact CD1-CG 3.85Å; L1383-P1547 HydrophobicContact CD1-CB 3.77Å; L1383-P1547 HydrophobicContact CD1-CG 4.24Å; P1547-L1549 PolarHBondContact O-N 3.18Å; P1547-Y1550 PolarHBondContact O-N 3.41Å; P1547-Y1550 VanDerWaalsContact O-N 3.1Å; P1547-L1551 PolarHBondContact O-N 2.94Å |
| 1548 | H | 82.8 | Confident | 76.1 | Confident | 123 Ų | 123 | 81.8 Ų | 81.8 | 57% | 0.569 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -66.9 | -12.3 | -179 | 57.1 | -96.2 | 0 | 0 | 0 | 115.3 | Q1546 L1551 | Q1546-H1548 PolarHBondContact O-N 3.5Å; H1548-L1551 WeakPolarHBondContact CA-O 3.49Å |
| 1549 | L | 85.5 | Confident | 73 | Confident | 77 Ų | 77 | 83.2 Ų | 83.2 | 40% | 0.403 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -88.3 | -20.7 | 172.9 | -61.1 | -177.7 | 0 | 0 | 0 | 112.7 | T1512 Q1546 P1547 | T1512-L1549 WeakPolarHBondContact CG2-O 3.37Å; T1512-L1549 PolarHBondContact OG1-O 3.48Å; Q1546-L1549 HydrophobicContact CB-CD1 3.82Å; Q1546-L1549 HydrophobicContact CB-CG 4.1Å; Q1546-L1549 HydrophobicContact CG-CD1 4.34Å; Q1546-L1549 PolarHBondContact O-N 2.83Å; P1547-L1549 PolarHBondContact O-N 3.18Å |
| 1550 | Y | 88.5 | Confident | 69.8 | Low | 37 Ų | 37 | 87.8 Ų | 87.8 | 15% | 0.145 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -113 | -29.1 | -174.4 | -56.5 | -71.4 | 0 | 0 | 0 | 112.1 | T1512 L1515 F1543 Q1546 P1547 | T1512-Y1550 PolarHBondContact N-O 3.39Å; T1512-Y1550 PolarHBondContact OG1-O 3.2Å; L1515-Y1550 WeakPolarHBondContact CD2-O 3.14Å; F1543-Y1550 HydrophobicContact CB-CD2 3.59Å; F1543-Y1550 HydrophobicContact CB-CE2 4.08Å; F1543-Y1550 HydrophobicContact CB-CG 3.83Å; F1543-Y1550 AromaticContact CD1-CD1 3.56Å; F1543-Y1550 HydrophobicContact CD1-CD1 3.56Å; F1543-Y1550 AromaticContact CD1-CD2 3.76Å; F1543-Y1550 HydrophobicContact CD1-CD2 3.76Å; F1543-Y1550 AromaticContact CD1-CE1 3.39Å; F1543-Y1550 HydrophobicContact CD1-CE1 3.39Å; F1543-Y1550 AromaticContact CD1-CE2 3.6Å; F1543-Y1550 HydrophobicContact CD1-CE2 3.6Å; F1543-Y1550 AromaticContact CD1-CG 3.73Å; F1543-Y1550 HydrophobicContact CD1-CG 3.73Å; F1543-Y1550 AromaticContact CD1-CZ 3.41Å; F1543-Y1550 VanDerWaalsContact CD1-CZ 3.41Å; F1543-Y1550 AromaticContact CE1-CD1 3.79Å; F1543-Y1550 HydrophobicContact CE1-CD1 3.79Å; F1543-Y1550 AromaticContact CE1-CE1 3.47Å; F1543-Y1550 HydrophobicContact CE1-CE1 3.47Å; F1543-Y1550 VanDerWaalsContact CE1-CE1 3.47Å; F1543-Y1550 HydrophobicContact CE1-CE2 4.47Å; F1543-Y1550 HydrophobicContact CE1-CG 4.41Å; F1543-Y1550 AromaticContact CE1-CZ 3.85Å; F1543-Y1550 AromaticContact CG-CD1 3.98Å; F1543-Y1550 HydrophobicContact CG-CD1 3.98Å; F1543-Y1550 AromaticContact CG-CD2 3.9Å; F1543-Y1550 HydrophobicContact CG-CD2 3.9Å; F1543-Y1550 HydrophobicContact CG-CE1 4.27Å; F1543-Y1550 HydrophobicContact CG-CE2 4.19Å; F1543-Y1550 AromaticContact CG-CG 3.78Å; F1543-Y1550 HydrophobicContact CG-CG 3.78Å; F1543-Y1550 HydrophobicContact CZ-CD1 4.4Å; F1543-Y1550 HydrophobicContact CZ-CE1 4.4Å; Q1546-Y1550 HydrophobicContact CB-CE2 4.36Å; Q1546-Y1550 WeakPolarHBondContact O-CD2 3.48Å; P1547-Y1550 PolarHBondContact O-N 3.41Å; P1547-Y1550 VanDerWaalsContact O-N 3.1Å |
| 1551 | L | 87.8 | Confident | 66.8 | Low | 1 Ų | 1 | 93.4 Ų | 93.4 | 1% | 0.005 | 49% | 0.492 | C | S | . | . | B | Isolated β-bridge | trans | -122.1 | 123.1 | 174.1 | -65.8 | -177.1 | 0 | 0 | 0 | 111.5 | L1382 L1383 F1480 I1510 L1515 P1547 H1548 | L1382-L1551 HydrophobicContact CB-CD1 4.08Å; L1382-L1551 HydrophobicContact CD1-CD1 4.26Å; L1383-L1551 HydrophobicContact CD1-CD1 4.09Å; L1383-L1551 HydrophobicContact CD1-CG 4.28Å; L1383-L1551 HydrophobicContact CD2-CD1 4.18Å; L1383-L1551 HydrophobicContact CD2-CG 4.31Å; L1383-L1551 HydrophobicContact CG-CD1 3.75Å; L1383-L1551 HydrophobicContact CG-CG 4.26Å; F1480-L1551 HydrophobicContact CD1-CD1 4.44Å; F1480-L1551 HydrophobicContact CD1-CD2 4.38Å; F1480-L1551 HydrophobicContact CD2-CD2 4.42Å; F1480-L1551 HydrophobicContact CE1-CD1 4.26Å; F1480-L1551 HydrophobicContact CG-CD2 4.33Å; I1510-L1551 HydrophobicContact CB-CD2 4.37Å; I1510-L1551 HydrophobicContact CD1-CD1 4.29Å; I1510-L1551 HydrophobicContact CD1-CD2 3.68Å; I1510-L1551 HydrophobicContact CG1-CD2 3.8Å; I1510-L1551 CarbonylContact O-C 3.48Å; I1510-L1551 VanDerWaalsContact O-CA 3.23Å; I1510-L1551 WeakPolarHBondContact O-CA 3.28Å; L1515-L1551 HydrophobicContact CD2-CD2 3.35Å; L1515-L1551 HydrophobicContact CD2-CG 3.97Å; P1547-L1551 PolarHBondContact O-N 2.94Å; H1548-L1551 WeakPolarHBondContact CA-O 3.49Å |
| 1552 | H | 81 | Confident | 63.8 | Low | 92 Ų | 92 | 97.5 Ų | 97.5 | 43% | 0.426 | 51% | 0.513 | S | S | . | . | P | Polyproline II helix | trans | -66.1 | 135.2 | 174.6 | -66.7 | -53.1 | 0 | 0 | 0 | 111.4 | I1510 | I1510-H1552 PolarHBondContact O-N 3.37Š|
| 1553 | P | 65.9 | Low | 60.7 | Low | 91 Ų | 91 | 99.6 Ų | 99.6 | 59% | 0.591 | 53% | 0.527 | S | S | * | . | P | Polyproline II helix | trans | -59.5 | 141.5 | 170.9 | -23.3 | 34 | 0 | 0 | 0 | 112 | ||
| 1554 | R | 62.9 | Low | 57.5 | Low | 121 Ų | 121 | 109 Ų | 109 | 46% | 0.457 | 56% | 0.564 | S | S | . | * | P | Polyproline II helix | trans | -79.8 | 120.5 | 165.5 | -74.2 | 165.5 | 157.2 | 175.5 | -12 | 108.4 | A1374 E1556 | A1374-R1554 PolarHBondContact O-NH1 3.11Å; R1554-E1556 PolarHBondContact O-N 3.1Å |
| 1555 | N | 42.5 | Very low | 54.6 | Low | 144 Ų | 144 | 113.2 Ų | 113.2 | 77% | 0.77 | 59% | 0.592 | S | S | * | * | trans | -76 | 105.9 | -174.1 | -76.3 | -12.3 | 0 | 0 | 0 | 112.5 | S1557 | N1555-S1557 VanDerWaalsContact C-N 3.33Å; N1555-S1557 PolarHBondContact O-N 3.38Å; N1555-S1557 VanDerWaalsContact O-N 3.08Å | ||
| 1556 | E | 31.2 | Very low | 51.6 | Low | 196 Ų | 196 | 108.9 Ų | 108.9 | 92% | 0.916 | 59% | 0.588 | S | S | * | * | trans | -73.7 | 81.9 | 158.8 | -65.1 | -177.5 | 152.8 | 0 | 0 | 109.8 | R1554 | R1554-E1556 PolarHBondContact O-N 3.1Š| ||
| 1557 | S | 29.7 | Very low | 48.9 | Very low | 93 Ų | 93 | 110.5 Ų | 110.5 | 65% | 0.65 | 60% | 0.604 | S | S | * | * | trans | -173.5 | 99.6 | 168.2 | 21.6 | 0 | 0 | 0 | 0 | 114.8 | N1555 | N1555-S1557 VanDerWaalsContact C-N 3.33Å; N1555-S1557 PolarHBondContact O-N 3.38Å; N1555-S1557 VanDerWaalsContact O-N 3.08Å | ||
| 1558 | S | 30.8 | Very low | 46.1 | Very low | 131 Ų | 131 | 112.7 Ų | 112.7 | 92% | 0.916 | 63% | 0.631 | S | S | * | * | trans | 176.4 | 117 | 132.4 | 31.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1559 | S | 27.3 | Very low | 43.4 | Very low | 105 Ų | 105 | 114 Ų | 114 | 73% | 0.734 | 64% | 0.643 | S | S | * | * | trans | -106.7 | 152.5 | 172.2 | 45.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1560 | N | 28.8 | Very low | 40.6 | Very low | 149 Ų | 149 | 116 Ų | 116 | 80% | 0.797 | 66% | 0.658 | S | S | * | * | trans | 73.3 | 140.9 | 168 | -53.4 | -14.9 | 0 | 0 | 0 | 119.2 | ||||
| 1561 | T | 30.6 | Very low | 37.6 | Very low | 121 Ų | 121 | 125.7 Ų | 125.7 | 74% | 0.742 | 69% | 0.694 | S | S | * | * | trans | 89 | 95.8 | 152 | -9.6 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1562 | E | 29.4 | Very low | 34.6 | Very low | 172 Ų | 172 | 130 Ų | 130 | 80% | 0.804 | 73% | 0.725 | S | S | * | * | 63.6 | 115.7 | 130 | -59.6 | -175.2 | 164.1 | 0 | 0 | 125.6 | |||||
| 1563 | V | 26.9 | Very low | 32.1 | Very low | 113 Ų | 113 | 136.7 Ų | 136.7 | 69% | 0.685 | 75% | 0.746 | S | S | * | * | 33.7 | 145 | 125.8 | -143.1 | 0 | 0 | 0 | 0 | 123 | |||||
| 1564 | Y | 26 | Very low | 30.1 | Very low | 220 Ų | 220 | 138.1 Ų | 138.1 | 86% | 0.863 | 75% | 0.754 | S | S | * | * | trans | 76.2 | 145.7 | 167.4 | -67.7 | -71.3 | 0 | 0 | 0 | 116.2 | ||||
| 1565 | S | 26.8 | Very low | 28.3 | Very low | 105 Ų | 105 | 137.5 Ų | 137.5 | 73% | 0.734 | 76% | 0.763 | S | S | * | * | cis | -153.7 | 179.3 | -5.1 | 50.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 1566 | S | 27.7 | Very low | 27.5 | Very low | 78 Ų | 78 | 137.3 Ų | 137.3 | 55% | 0.545 | 76% | 0.761 | S | S | . | * | trans | -65 | 160.5 | 171.8 | 56.6 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1567 | T | 28.4 | Very low | 27.1 | Very low | 127 Ų | 127 | 137.6 Ų | 137.6 | 78% | 0.779 | 76% | 0.755 | S | S | * | * | cis | -159.9 | 156.5 | 38.9 | 48.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 1568 | G | 27.7 | Very low | 26.9 | Very low | 70 Ų | 70 | 137.8 Ų | 137.8 | 72% | 0.722 | 75% | 0.754 | S | S | * | * | trans | 109.8 | 134.8 | 142.7 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1569 | D | 26.7 | Very low | 26.7 | Very low | 152 Ų | 152 | 137 Ų | 137 | 81% | 0.813 | 74% | 0.743 | S | S | * | * | trans | 50.7 | 113.5 | 148.1 | -61.3 | -14.8 | 0 | 0 | 0 | 124.5 | ||||
| 1570 | T | 25.3 | Very low | 26.6 | Very low | 119 Ų | 119 | 137.8 Ų | 137.8 | 73% | 0.73 | 74% | 0.744 | S | S | * | * | trans | 61.5 | 108.2 | 133.4 | 64.6 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1571 | R | 27.2 | Very low | 26.5 | Very low | 239 Ų | 239 | 141.1 Ų | 141.1 | 90% | 0.902 | 75% | 0.746 | S | S | * | * | -167.1 | 126.8 | 121.8 | -100.6 | 153.6 | 178.8 | 177.9 | -0.2 | 107.3 | |||||
| 1572 | S | 24.8 | Very low | 26.3 | Very low | 93 Ų | 93 | 142.2 Ų | 142.2 | 65% | 0.65 | 75% | 0.746 | S | S | * | * | 58.5 | 81.5 | 50.5 | -55.4 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 1573 | R | 27.2 | Very low | 26.2 | Very low | 232 Ų | 232 | 139.6 Ų | 139.6 | 88% | 0.875 | 75% | 0.747 | S | S | * | * | trans | -115.9 | 68.8 | 155 | -168.6 | 167.2 | 178.5 | 156.6 | -2.6 | 109.8 | T1575 | R1573-T1575 HydrophobicContact CG-CG2 4.37Å; R1573-T1575 PolarHBondContact O-N 3.02Å | ||
| 1574 | T | 24.8 | Very low | 26.4 | Very low | 121 Ų | 121 | 137.7 Ų | 137.7 | 74% | 0.742 | 75% | 0.751 | S | S | * | * | trans | -71 | 111.2 | 167.6 | 42.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1575 | T | 25.6 | Very low | 26.5 | Very low | 107 Ų | 107 | 134.6 Ų | 134.6 | 66% | 0.656 | 74% | 0.744 | S | S | * | * | trans | -111.9 | 73.9 | 170.4 | 46.1 | 0 | 0 | 0 | 0 | 110.9 | R1573 | R1573-T1575 HydrophobicContact CG-CG2 4.37Å; R1573-T1575 PolarHBondContact O-N 3.02Å | ||
| 1576 | I | 24.2 | Very low | 26.5 | Very low | 141 Ų | 141 | 138.7 Ų | 138.7 | 72% | 0.723 | 74% | 0.743 | S | S | * | * | trans | 34.4 | 110.7 | 137.9 | -53 | 164 | 0 | 0 | 0 | 117.1 | ||||
| 1577 | Y | 23.7 | Very low | 26.5 | Very low | 202 Ų | 202 | 142.6 Ų | 142.6 | 79% | 0.792 | 75% | 0.751 | S | S | * | * | trans | -132.5 | 132.9 | 132.4 | -79 | -80.2 | 0 | 0 | 0 | 108.6 | ||||
| 1578 | P | 25.7 | Very low | 26.5 | Very low | 96 Ų | 96 | 146.2 Ų | 146.2 | 62% | 0.623 | 75% | 0.75 | S | S | * | * | trans | -85.8 | 155.3 | 179.8 | 34.9 | -34.4 | 0 | 0 | 0 | 111.4 | ||||
| 1579 | T | 25.6 | Very low | 26.6 | Very low | 114 Ų | 114 | 150.8 Ų | 150.8 | 70% | 0.699 | 75% | 0.753 | S | S | * | * | -177.2 | 150.9 | 77.3 | 29.1 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 1580 | T | 26 | Very low | 27 | Very low | 123 Ų | 123 | 147.9 Ų | 147.9 | 76% | 0.755 | 74% | 0.742 | S | S | * | * | trans | 65.4 | 147.3 | 156.3 | 55.3 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1581 | R | 26.2 | Very low | 27.3 | Very low | 218 Ų | 218 | 148.2 Ų | 148.2 | 82% | 0.823 | 74% | 0.74 | S | S | * | * | cis | -157.1 | 150.7 | 6.8 | -127.1 | 167.8 | -171.9 | -178.4 | 4 | 112.7 | ||||
| 1582 | L | 27.4 | Very low | 27.5 | Very low | 145 Ų | 145 | 144.1 Ų | 144.1 | 76% | 0.759 | 73% | 0.73 | S | S | * | * | trans | 73.5 | 108.7 | 149 | -73.2 | 156.1 | 0 | 0 | 0 | 122.8 | ||||
| 1583 | S | 26.7 | Very low | 27.7 | Very low | 116 Ų | 116 | 144.6 Ų | 144.6 | 81% | 0.811 | 73% | 0.73 | S | S | * | * | 96.4 | 119 | 125.6 | -60.5 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 1584 | G | 29.7 | Very low | 27.9 | Very low | 74 Ų | 74 | 140 Ų | 140 | 76% | 0.763 | 73% | 0.727 | S | S | * | * | trans | 140.3 | 78.7 | 152.5 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 1585 | E | 29 | Very low | 28.4 | Very low | 155 Ų | 155 | 139.8 Ų | 139.8 | 72% | 0.724 | 73% | 0.728 | S | S | * | * | trans | 30.1 | 142.2 | 147.2 | -53.8 | -151.3 | 117.4 | 0 | 0 | 122.1 | ||||
| 1586 | R | 27.6 | Very low | 28.7 | Very low | 191 Ų | 191 | 140.3 Ų | 140.3 | 72% | 0.721 | 74% | 0.736 | S | S | * | * | cis | -164.1 | 133.3 | 5.3 | -119.3 | 177 | -149.1 | 177.7 | 18.2 | 112.6 | ||||
| 1587 | F | 26.9 | Very low | 28.7 | Very low | 160 Ų | 160 | 142 Ų | 142 | 70% | 0.702 | 74% | 0.738 | S | S | * | * | trans | 71.3 | 118.6 | 137.8 | -88.4 | -128.2 | 0 | 0 | 0 | 125.3 | ||||
| 1588 | R | 27.8 | Very low | 29 | Very low | 202 Ų | 202 | 140.5 Ų | 140.5 | 76% | 0.762 | 74% | 0.738 | S | S | * | * | trans | 78.5 | 153.7 | 138.3 | -70 | -178 | 175.5 | 162.6 | -1.4 | 122.1 | ||||
| 1589 | Q | 30.9 | Very low | 29.1 | Very low | 166 Ų | 166 | 140.8 Ų | 140.8 | 78% | 0.776 | 74% | 0.742 | S | S | * | * | cis | -171.4 | 177.6 | -40.8 | -121.2 | -172.4 | -35.3 | 0 | 0 | 111.2 | ||||
| 1590 | P | 35.4 | Very low | 29 | Very low | 91 Ų | 91 | 142.5 Ų | 142.5 | 59% | 0.591 | 75% | 0.745 | S | S | * | * | -134.2 | -150.1 | -113.8 | 45.2 | -24.3 | 0 | 0 | 0 | 116.5 | |||||
| 1591 | D | 31.1 | Very low | 29.1 | Very low | 127 Ų | 127 | 145.5 Ų | 145.5 | 68% | 0.679 | 75% | 0.747 | S | S | * | * | trans | 78.5 | 151.9 | 160.3 | -67.9 | -2.2 | 0 | 0 | 0 | 119.1 | ||||
| 1592 | Q | 30.8 | Very low | 29.1 | Very low | 152 Ų | 152 | 139.9 Ų | 139.9 | 71% | 0.71 | 74% | 0.741 | S | S | * | * | cis | -161.1 | -175.7 | -10.1 | -108.3 | 177.8 | 72.1 | 0 | 0 | 106.8 | ||||
| 1593 | T | 30.4 | Very low | 29.1 | Very low | 104 Ų | 104 | 143.6 Ų | 143.6 | 64% | 0.638 | 75% | 0.745 | S | S | * | * | cis | -161.5 | 140.4 | 4.1 | 6.4 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 1594 | V | 30.2 | Very low | 29.1 | Very low | 135 Ų | 135 | 144.8 Ų | 144.8 | 82% | 0.818 | 74% | 0.742 | S | S | * | * | 80.5 | 143.7 | 88.1 | 174.9 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 1595 | P | 35.1 | Very low | 29 | Very low | 117 Ų | 117 | 146.5 Ų | 146.5 | 76% | 0.76 | 74% | 0.743 | S | S | * | * | trans | -122.7 | -173.8 | -148.4 | 43.9 | -31.3 | 0 | 0 | 0 | 117.7 | ||||
| 1596 | S | 31.4 | Very low | 28.7 | Very low | 117 Ų | 117 | 144.9 Ų | 144.9 | 82% | 0.818 | 75% | 0.747 | S | S | * | * | trans | -153.8 | -164.1 | 161.2 | -162.7 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1597 | F | 25.7 | Very low | 28.7 | Very low | 176 Ų | 176 | 141.2 Ų | 141.2 | 77% | 0.772 | 75% | 0.751 | S | S | * | * | -153.9 | 164.1 | -129.9 | -120.2 | -67.1 | 0 | 0 | 0 | 117.5 | |||||
| 1598 | Q | 28.6 | Very low | 28.9 | Very low | 172 Ų | 172 | 138.7 Ų | 138.7 | 80% | 0.804 | 75% | 0.75 | S | S | * | * | trans | 67.4 | 158.2 | 158.8 | -87.1 | 163.7 | 29 | 0 | 0 | 117.5 | ||||
| 1599 | S | 28.1 | Very low | 28.7 | Very low | 101 Ų | 101 | 135.9 Ų | 135.9 | 71% | 0.706 | 75% | 0.75 | S | S | * | * | cis | -157.1 | 176.1 | -11.2 | -165 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1600 | M | 24.8 | Very low | 28.5 | Very low | 151 Ų | 151 | 135.2 Ų | 135.2 | 74% | 0.744 | 75% | 0.746 | S | S | * | * | trans | -26.8 | 158.8 | 168.6 | -61 | -172.9 | -178 | 0 | 0 | 118.5 | ||||
| 1601 | K | 26.3 | Very low | 28.1 | Very low | 186 Ų | 186 | 138.1 Ų | 138.1 | 81% | 0.809 | 76% | 0.757 | S | S | * | * | cis | -170.9 | 169.5 | 30.8 | -138.5 | 156.8 | -168.9 | 173 | 0 | 113.1 | ||||
| 1602 | S | 27.6 | Very low | 27.9 | Very low | 100 Ų | 100 | 136.9 Ų | 136.9 | 70% | 0.699 | 76% | 0.759 | S | S | * | * | trans | 86.1 | 95.2 | 147.2 | -164.9 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 1603 | R | 26.3 | Very low | 27.7 | Very low | 223 Ų | 223 | 134.2 Ų | 134.2 | 84% | 0.842 | 76% | 0.757 | S | S | * | * | 64.1 | 128 | 127.9 | -75.4 | -175.4 | 172.8 | 176.2 | -2.9 | 123.6 | |||||
| 1604 | N | 27.3 | Very low | 27.6 | Very low | 141 Ų | 141 | 133.9 Ų | 133.9 | 75% | 0.754 | 76% | 0.759 | S | S | * | * | trans | 96.6 | 143.6 | 138.8 | -69.4 | 13 | 0 | 0 | 0 | 121.6 | ||||
| 1605 | S | 27.4 | Very low | 27.6 | Very low | 110 Ų | 110 | 132.5 Ų | 132.5 | 77% | 0.769 | 76% | 0.755 | S | S | * | * | trans | 63.6 | 100.9 | 157.5 | 43.1 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1606 | C | 23.2 | Very low | 27.3 | Very low | 120 Ų | 120 | 132.8 Ų | 132.8 | 81% | 0.811 | 76% | 0.759 | S | S | * | * | trans | 33.6 | 122.1 | 132.1 | -56.2 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 1607 | S | 27 | Very low | 27.1 | Very low | 114 Ų | 114 | 130 Ų | 130 | 80% | 0.797 | 75% | 0.75 | S | S | * | * | trans | 74.5 | 168.3 | 140 | -50.3 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1608 | P | 31.5 | Very low | 27.1 | Very low | 107 Ų | 107 | 130.5 Ų | 130.5 | 70% | 0.695 | 76% | 0.76 | S | S | * | * | -136.4 | -169.2 | -64.9 | 41.5 | -26.6 | 0 | 0 | 0 | 113.3 | |||||
| 1609 | L | 24.6 | Very low | 27.2 | Very low | 144 Ų | 144 | 127.7 Ų | 127.7 | 75% | 0.754 | 75% | 0.754 | S | S | * | * | trans | 78.7 | 142.8 | 154.8 | -73.3 | 168.4 | 0 | 0 | 0 | 121.2 | ||||
| 1610 | Q | 26.3 | Very low | 27.1 | Very low | 151 Ų | 151 | 129 Ų | 129 | 71% | 0.706 | 75% | 0.753 | S | S | * | * | trans | 69.1 | 113.4 | 148.5 | -72.2 | 172.6 | 21.6 | 0 | 0 | 117.7 | ||||
| 1611 | N | 25.9 | Very low | 27.1 | Very low | 152 Ų | 152 | 133.1 Ų | 133.1 | 81% | 0.813 | 76% | 0.76 | S | S | * | * | 64.7 | 124.9 | 89 | -67.1 | -16.2 | 0 | 0 | 0 | 111.4 | |||||
| 1612 | S | 27.6 | Very low | 27 | Very low | 102 Ų | 102 | 133.7 Ų | 133.7 | 71% | 0.713 | 76% | 0.757 | S | S | * | * | cis | -163.5 | 179.4 | 42.3 | 55.3 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1613 | S | 27.5 | Very low | 26.9 | Very low | 96 Ų | 96 | 136.8 Ų | 136.8 | 67% | 0.671 | 76% | 0.759 | S | S | * | * | trans | 33.7 | 137.3 | 142.1 | 62.1 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 1614 | S | 27.9 | Very low | 26.8 | Very low | 97 Ų | 97 | 132.4 Ų | 132.4 | 68% | 0.678 | 75% | 0.752 | S | S | * | * | cis | 176.9 | 161.4 | -5.2 | 45.3 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1615 | S | 29.2 | Very low | 26.8 | Very low | 106 Ų | 106 | 131.3 Ų | 131.3 | 74% | 0.741 | 75% | 0.75 | S | S | * | * | trans | 48.5 | 126 | 154.5 | 61.6 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1616 | S | 29.6 | Very low | 26.9 | Very low | 122 Ų | 122 | 127.3 Ų | 127.3 | 85% | 0.853 | 73% | 0.726 | S | S | * | * | -172.4 | 139.3 | 54.6 | 51.8 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 1617 | G | 26.9 | Very low | 27 | Very low | 60 Ų | 60 | 131.4 Ų | 131.4 | 62% | 0.619 | 73% | 0.725 | S | S | * | * | S | Bend | trans | 170.8 | 119.4 | 171 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 1618 | L | 26.6 | Very low | 26.9 | Very low | 186 Ų | 186 | 135.2 Ų | 135.2 | 97% | 0.974 | 72% | 0.721 | S | S | * | * | S | Bend | trans | 50 | 78.4 | 174.2 | -64.7 | 168 | 0 | 0 | 0 | 115.5 | ||
| 1619 | T | 29.1 | Very low | 26.6 | Very low | 112 Ų | 112 | 135.6 Ų | 135.6 | 69% | 0.687 | 72% | 0.722 | S | S | * | * | trans | -138.9 | 161.8 | 172.3 | 55.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1620 | N | 26.9 | Very low | 26.5 | Very low | 129 Ų | 129 | 139.3 Ų | 139.3 | 69% | 0.69 | 73% | 0.726 | S | S | * | * | trans | 72.2 | 143.5 | -166.6 | -47.4 | -76.6 | 0 | 0 | 0 | 113.2 | ||||
| 1621 | R | 25.7 | Very low | 26.4 | Very low | 237 Ų | 237 | 137.6 Ų | 137.6 | 89% | 0.894 | 73% | 0.726 | S | S | * | * | cis | -119.4 | 146.8 | 5.6 | -59.9 | 171.6 | 179.4 | 165.1 | -1.3 | 108.9 | ||||
| 1622 | R | 23.5 | Very low | 26.4 | Very low | 198 Ų | 198 | 135.2 Ų | 135.2 | 75% | 0.747 | 72% | 0.721 | S | S | * | * | cis | 68.6 | 116.2 | 46.6 | -77.8 | -159.7 | 177.3 | 178.7 | 1.2 | 115.9 | ||||
| 1623 | F | 24.3 | Very low | 26.3 | Very low | 166 Ų | 166 | 137 Ų | 137 | 73% | 0.728 | 72% | 0.722 | S | S | * | * | trans | 74 | 126.3 | 137.7 | -78.6 | -117.8 | 0 | 0 | 0 | 121 | ||||
| 1624 | D | 25.2 | Very low | 26.1 | Very low | 130 Ų | 130 | 138.9 Ų | 138.9 | 70% | 0.695 | 72% | 0.724 | S | S | * | * | 88 | 120.3 | 125.5 | -76 | 12.6 | 0 | 0 | 0 | 126.1 | |||||
| 1625 | V | 27.6 | Very low | 26 | Very low | 119 Ų | 119 | 141.8 Ų | 141.8 | 72% | 0.721 | 73% | 0.731 | S | S | * | * | 76.4 | 107.8 | 122.5 | 179 | 0 | 0 | 0 | 0 | 121 | |||||
| 1626 | G | 28.9 | Very low | 26.5 | Very low | 25 Ų | 25 | 142 Ų | 142 | 26% | 0.258 | 73% | 0.729 | S | S | . | * | trans | -159.7 | 133.3 | 143.1 | 0 | 0 | 0 | 0 | 0 | 107.2 | N1805 | G1626-N1805 WeakPolarHBondContact O-CB 3.17Å; G1626-N1805 PolarHBondContact O-ND2 3.14Å | ||
| 1627 | R | 25.5 | Very low | 26.4 | Very low | 207 Ų | 207 | 141.3 Ų | 141.3 | 78% | 0.781 | 72% | 0.722 | S | S | * | * | cis | 53.8 | 129.2 | 43.4 | -67.8 | -173.6 | 172.6 | 177.7 | 0.2 | 111.3 | ||||
| 1628 | R | 25 | Very low | 26.3 | Very low | 194 Ų | 194 | 144.3 Ų | 144.3 | 73% | 0.732 | 73% | 0.728 | S | S | * | * | cis | -164.1 | 137.6 | 15.9 | -132.3 | 174 | -174.7 | 169.3 | -2.3 | 113.2 | ||||
| 1629 | T | 24.6 | Very low | 26.2 | Very low | 114 Ų | 114 | 141 Ų | 141 | 70% | 0.699 | 72% | 0.716 | S | S | * | * | trans | 50.2 | 130.7 | 140.3 | 52.8 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 1630 | R | 23.3 | Very low | 26 | Very low | 223 Ų | 223 | 140.4 Ų | 140.4 | 84% | 0.842 | 71% | 0.708 | S | S | * | * | 95.9 | 141.2 | 125.9 | -95.4 | -174.4 | 172.6 | -178.6 | -2.8 | 121.2 | |||||
| 1631 | T | 24.7 | Very low | 25.9 | Very low | 114 Ų | 114 | 137.7 Ų | 137.7 | 70% | 0.699 | 69% | 0.691 | S | S | * | * | trans | 71.4 | 123.5 | 145.7 | 41.2 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 1632 | S | 24.7 | Very low | 26 | Very low | 102 Ų | 102 | 128.2 Ų | 128.2 | 71% | 0.713 | 66% | 0.663 | S | S | * | * | trans | 77.3 | 158.8 | 134.2 | -62 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1633 | L | 24.9 | Very low | 26.2 | Very low | 139 Ų | 139 | 122.3 Ų | 122.3 | 73% | 0.728 | 65% | 0.647 | S | S | * | * | cis | -170.9 | 157.6 | -23 | -107.4 | 171.7 | 0 | 0 | 0 | 107 | ||||
| 1634 | L | 24.1 | Very low | 26.3 | Very low | 137 Ų | 137 | 125.1 Ų | 125.1 | 72% | 0.717 | 65% | 0.653 | S | S | * | * | trans | 64.3 | 122.4 | 158.9 | -60.1 | 156.9 | 0 | 0 | 0 | 116.1 | ||||
| 1635 | L | 25.5 | Very low | 26.4 | Very low | 157 Ų | 157 | 125.2 Ų | 125.2 | 82% | 0.822 | 66% | 0.658 | S | S | * | * | 72.7 | 143.1 | 76.9 | -83.9 | 136.8 | 0 | 0 | 0 | 114.8 | |||||
| 1636 | P | 40.5 | Very low | 26.5 | Very low | 110 Ų | 110 | 123 Ų | 123 | 71% | 0.714 | 66% | 0.659 | S | S | * | * | trans | -87.1 | 174.1 | -160.4 | 38.7 | -39.1 | 0 | 0 | 0 | 113.4 | ||||
| 1637 | P | 26.6 | Very low | 26.5 | Very low | 108 Ų | 108 | 131 Ų | 131 | 70% | 0.701 | 69% | 0.687 | S | S | * | * | -153.1 | 172.9 | 104.7 | 41.7 | -24.8 | 0 | 0 | 0 | 116.7 | |||||
| 1638 | T | 24.6 | Very low | 26.7 | Very low | 123 Ų | 123 | 131.6 Ų | 131.6 | 76% | 0.755 | 69% | 0.691 | S | S | * | * | trans | 6.8 | 154.9 | 137 | 80.7 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1639 | V | 24.8 | Very low | 27.2 | Very low | 116 Ų | 116 | 127 Ų | 127 | 70% | 0.703 | 69% | 0.686 | S | S | * | * | cis | 180 | 169.8 | 29.6 | 76.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1640 | L | 24.1 | Very low | 27.4 | Very low | 101 Ų | 101 | 131.6 Ų | 131.6 | 53% | 0.529 | 69% | 0.69 | S | S | . | * | trans | 68.2 | 135.3 | 162.2 | -63.1 | 170.6 | 0 | 0 | 0 | 116.7 | ||||
| 1641 | Q | 26.1 | Very low | 27.7 | Very low | 71 Ų | 71 | 128.7 Ų | 128.7 | 33% | 0.332 | 69% | 0.686 | S | S | . | * | 65.2 | 130.4 | 66.2 | -54.5 | 178.8 | 11.7 | 0 | 0 | 113.9 | R1792 N1793 S1794 E1795 | Q1641-R1792 HydrophobicContact CB-CG 4.44Å; Q1641-R1792 HydrophobicContact CG-CB 3.95Å; Q1641-R1792 HydrophobicContact CG-CG 3.96Å; Q1641-R1792 VanDerWaalsContact OE1-CD 3.28Å; Q1641-N1793 PolarHBondContact N-O 3.14Å; Q1641-S1794 WeakPolarHBondContact CA-O 3.32Å; Q1641-S1794 PolarHBondContact N-O 3.12Å; Q1641-E1795 VanDerWaalsContact C-OE1 3.26Å | |||
| 1642 | A | 27.9 | Very low | 28 | Very low | 38 Ų | 38 | 132.7 Ų | 132.7 | 31% | 0.314 | 69% | 0.694 | S | S | . | * | cis | -178.2 | 153.4 | 40.5 | 0 | 0 | 0 | 0 | 0 | 119.3 | E1795 | A1642-E1795 PolarHBondContact N-OE1 2.85Š| ||
| 1643 | N | 26.7 | Very low | 28.1 | Very low | 75 Ų | 75 | 138.8 Ų | 138.8 | 40% | 0.401 | 70% | 0.701 | S | S | . | * | 78.6 | 142.5 | 126.4 | -87.6 | 23.4 | 0 | 0 | 0 | 124 | R1792 N1793 | N1643-R1792 PolarHBondContact ND2-NH2 2.89Å; N1643-R1792 PolarHBondContact OD1-NE 3.26Å; N1643-N1793 WeakPolarHBondContact CA-ND2 3.32Å; N1643-N1793 PolarHBondContact N-ND2 3.23Å; N1643-N1793 PolarHBondContact OD1-ND2 2.97Å | |||
| 1644 | R | 27.3 | Very low | 28.1 | Very low | 225 Ų | 225 | 143.4 Ų | 143.4 | 85% | 0.849 | 71% | 0.709 | S | S | * | * | trans | 115.5 | 147.8 | 140.5 | -77.6 | 145.9 | 170.7 | -170.9 | -1.3 | 118.4 | ||||
| 1645 | T | 27.6 | Very low | 28.2 | Very low | 132 Ų | 132 | 141.8 Ų | 141.8 | 81% | 0.81 | 71% | 0.709 | S | S | * | * | cis | 179.9 | 144 | -41.4 | 34.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1646 | G | 29.4 | Very low | 28.2 | Very low | 72 Ų | 72 | 141.3 Ų | 141.3 | 74% | 0.742 | 71% | 0.712 | S | S | * | * | trans | 111.1 | 161.8 | 153.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1647 | K | 28.5 | Very low | 27.4 | Very low | 194 Ų | 194 | 139.5 Ų | 139.5 | 84% | 0.843 | 71% | 0.714 | S | S | * | * | cis | -161.4 | 137 | -6.3 | -97.5 | 168.9 | -177.2 | 175.5 | 0 | 110.4 | ||||
| 1648 | Y | 29.1 | Very low | 27.3 | Very low | 218 Ų | 218 | 139.2 Ų | 139.2 | 86% | 0.855 | 72% | 0.72 | S | S | * | * | trans | 34.3 | 163.8 | 133.5 | -70.5 | -100.6 | 0 | 0 | 0 | 122.8 | ||||
| 1649 | P | 35.6 | Very low | 27.3 | Very low | 97 Ų | 97 | 145 Ų | 145 | 63% | 0.63 | 73% | 0.728 | S | S | * | * | cis | -153.4 | -169.2 | -37 | 44.2 | -24.8 | 0 | 0 | 0 | 118.4 | ||||
| 1650 | R | 29.5 | Very low | 27.4 | Very low | 212 Ų | 212 | 144.7 Ų | 144.7 | 80% | 0.8 | 73% | 0.727 | S | S | * | * | trans | 101.7 | 109.8 | 139 | -84.4 | -179.5 | 173.1 | 167.9 | 0.5 | 125.1 | ||||
| 1651 | H | 29.8 | Very low | 27.3 | Very low | 161 Ų | 161 | 146 Ų | 146 | 75% | 0.745 | 73% | 0.734 | S | S | * | * | 90.2 | 141.9 | 115.4 | -81.1 | -23.1 | 0 | 0 | 0 | 127.2 | |||||
| 1652 | K | 29.7 | Very low | 27.3 | Very low | 199 Ų | 199 | 152.5 Ų | 152.5 | 87% | 0.865 | 76% | 0.757 | S | S | * | * | trans | 83.2 | 159.6 | 156.8 | -71 | 175.2 | -177.9 | 177.7 | 0 | 119.7 | ||||
| 1653 | R | 27.4 | Very low | 27 | Very low | 229 Ų | 229 | 157.6 Ų | 157.6 | 86% | 0.864 | 78% | 0.784 | S | S | * | * | -177 | 150 | -61.5 | -123.9 | -172.1 | 176.8 | -177.2 | -0.3 | 110.9 | |||||
| 1654 | R | 25.8 | Very low | 27 | Very low | 237 Ų | 237 | 162.6 Ų | 162.6 | 89% | 0.894 | 81% | 0.808 | S | S | * | * | trans | 73.9 | 165.9 | 166.3 | -65.5 | 176.8 | 169.3 | 172.8 | -5.1 | 118 | ||||
| 1655 | S | 26.1 | Very low | 26.8 | Very low | 102 Ų | 102 | 157.9 Ų | 157.9 | 71% | 0.713 | 81% | 0.809 | S | S | * | * | cis | 174.3 | 151.9 | -40 | -153.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1656 | V | 24.6 | Very low | 26.7 | Very low | 147 Ų | 147 | 156 Ų | 156 | 89% | 0.891 | 81% | 0.807 | S | S | * | * | trans | 67.2 | 141.1 | 162.5 | -167.8 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1657 | G | 24.7 | Very low | 26.5 | Very low | 73 Ų | 73 | 157.4 Ų | 157.4 | 75% | 0.753 | 81% | 0.805 | S | S | * | * | trans | 147.4 | 121.2 | 155 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1658 | A | 24.7 | Very low | 26.4 | Very low | 101 Ų | 101 | 155.7 Ų | 155.7 | 84% | 0.835 | 81% | 0.805 | S | S | * | * | trans | -128.2 | 134.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1659 | R | 23 | Very low | 26.2 | Very low | 246 Ų | 246 | 149.8 Ų | 149.8 | 93% | 0.928 | 80% | 0.795 | S | S | * | * | trans | -168 | 169.2 | 143.3 | -120.2 | 177.4 | 172.7 | 128.7 | -0.6 | 112.6 | ||||
| 1660 | T | 27.9 | Very low | 25.9 | Very low | 109 Ų | 109 | 151.9 Ų | 151.9 | 67% | 0.669 | 80% | 0.8 | S | S | * | * | trans | -80.3 | -179.1 | 176.4 | 41 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1661 | D | 22.9 | Very low | 25.7 | Very low | 127 Ų | 127 | 148.8 Ų | 148.8 | 68% | 0.679 | 80% | 0.799 | S | S | * | * | trans | 102 | 133.8 | 150 | -55.5 | -58 | 0 | 0 | 0 | 119.6 | ||||
| 1662 | Y | 24.4 | Very low | 25.6 | Very low | 209 Ų | 209 | 146.6 Ų | 146.6 | 82% | 0.82 | 80% | 0.801 | S | S | * | * | trans | -19.9 | 142.4 | 169.8 | -56.4 | -99.4 | 0 | 0 | 0 | 118.6 | ||||
| 1663 | T | 22.9 | Very low | 25.4 | Very low | 144 Ų | 144 | 140.4 Ų | 140.4 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | -173 | 157.5 | 108.7 | 20.2 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 1664 | M | 26.9 | Very low | 25.3 | Very low | 181 Ų | 181 | 138 Ų | 138 | 89% | 0.892 | 80% | 0.797 | S | S | * | * | trans | -77.7 | 139.4 | 162.7 | -58 | 176.3 | 77.3 | 0 | 0 | 109.8 | ||||
| 1665 | S | 22.4 | Very low | 25.3 | Very low | 126 Ų | 126 | 130.2 Ų | 130.2 | 88% | 0.881 | 79% | 0.79 | S | S | * | * | trans | -163.3 | 139.1 | 149.8 | -84.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1666 | A | 26 | Very low | 25.2 | Very low | 93 Ų | 93 | 134.1 Ų | 134.1 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | trans | -91.5 | 162.6 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1667 | S | 24.8 | Very low | 25.2 | Very low | 100 Ų | 100 | 138.1 Ų | 138.1 | 70% | 0.699 | 80% | 0.796 | S | S | * | * | 147.2 | 158.9 | 112.8 | 65.3 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 1668 | L | 25.6 | Very low | 25.1 | Very low | 159 Ų | 159 | 144.6 Ų | 144.6 | 83% | 0.832 | 80% | 0.798 | S | S | * | * | trans | 72.5 | 137.8 | 164.3 | -55.2 | 167.7 | 0 | 0 | 0 | 117.4 | ||||
| 1669 | S | 25.4 | Very low | 25.1 | Very low | 93 Ų | 93 | 142.8 Ų | 142.8 | 65% | 0.65 | 79% | 0.789 | S | S | * | * | cis | -168 | 177.6 | -14.7 | 48 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1670 | I | 28.5 | Very low | 25.2 | Very low | 142 Ų | 142 | 138.4 Ų | 138.4 | 73% | 0.728 | 78% | 0.784 | S | S | * | * | trans | 85.3 | 86.3 | 165.8 | -48.5 | 180 | 0 | 0 | 0 | 116.4 | ||||
| 1671 | N | 26.9 | Very low | 25 | Very low | 146 Ų | 146 | 139 Ų | 139 | 78% | 0.781 | 79% | 0.793 | S | S | * | * | 53 | 136.5 | 122.2 | -59.8 | 8.9 | 0 | 0 | 0 | 120.2 | |||||
| 1672 | S | 27.5 | Very low | 25 | Very low | 115 Ų | 115 | 136.7 Ų | 136.7 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | cis | -166.2 | 162.7 | -0.3 | -91.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1673 | G | 25.2 | Very low | 24.9 | Very low | 69 Ų | 69 | 136.2 Ų | 136.2 | 71% | 0.711 | 79% | 0.789 | S | S | * | * | trans | 125.2 | 49.9 | 160.2 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 1674 | I | 24.7 | Very low | 25 | Very low | 180 Ų | 180 | 133 Ų | 133 | 92% | 0.923 | 78% | 0.777 | S | S | * | * | trans | 30.9 | 114.8 | 138.9 | -56.2 | 162.3 | 0 | 0 | 0 | 117.6 | ||||
| 1675 | G | 25.2 | Very low | 25 | Very low | 72 Ų | 72 | 129.7 Ų | 129.7 | 74% | 0.742 | 77% | 0.767 | S | S | * | * | trans | 146.8 | 68 | 163.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1676 | E | 25.9 | Very low | 25.2 | Very low | 184 Ų | 184 | 131.8 Ų | 131.8 | 86% | 0.86 | 76% | 0.762 | S | S | * | * | trans | 14.2 | 99.8 | 160 | -57.1 | -177.8 | 160.4 | 0 | 0 | 117.9 | ||||
| 1677 | R | 24.6 | Very low | 25.2 | Very low | 232 Ų | 232 | 131.2 Ų | 131.2 | 88% | 0.875 | 75% | 0.753 | S | S | * | * | 48.1 | 110 | 93.3 | -74.9 | -175.9 | 169.1 | 176.1 | -4.6 | 113.7 | |||||
| 1678 | W | 22.4 | Very low | 25.3 | Very low | 208 Ų | 208 | 134.9 Ų | 134.9 | 79% | 0.788 | 76% | 0.759 | S | S | * | * | cis | 61.4 | 126.5 | 14.7 | -92.2 | 56.4 | 0 | 0 | 0 | 116.9 | ||||
| 1679 | G | 23.8 | Very low | 25.5 | Very low | 63 Ų | 63 | 131.9 Ų | 131.9 | 65% | 0.649 | 75% | 0.749 | S | S | * | * | trans | 98.8 | 109.2 | 165.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1680 | N | 24.8 | Very low | 25.5 | Very low | 155 Ų | 155 | 132.8 Ų | 132.8 | 83% | 0.829 | 75% | 0.751 | S | S | * | * | 79.8 | 141.5 | 59.3 | -76.3 | -29 | 0 | 0 | 0 | 114.7 | |||||
| 1681 | S | 23.6 | Very low | 25.4 | Very low | 121 Ų | 121 | 133.9 Ų | 133.9 | 85% | 0.846 | 76% | 0.757 | S | S | * | * | trans | 66.2 | 152.8 | 175.9 | 78.9 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1682 | S | 24 | Very low | 25.4 | Very low | 78 Ų | 78 | 134.3 Ų | 134.3 | 55% | 0.545 | 76% | 0.758 | S | S | . | * | cis | -148.5 | 151.9 | 8.4 | 37.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1683 | F | 22.2 | Very low | 25.3 | Very low | 199 Ų | 199 | 137.7 Ų | 137.7 | 87% | 0.873 | 76% | 0.758 | S | S | * | * | 169.1 | 162.5 | 88.1 | -90.9 | -69.2 | 0 | 0 | 0 | 107.5 | |||||
| 1684 | A | 25 | Very low | 25.4 | Very low | 77 Ų | 77 | 139 Ų | 139 | 64% | 0.636 | 75% | 0.752 | S | S | * | * | cis | -146.4 | 133.4 | -10.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1685 | T | 27.4 | Very low | 25.7 | Very low | 112 Ų | 112 | 136.4 Ų | 136.4 | 69% | 0.687 | 74% | 0.74 | S | S | * | * | trans | 3 | 140.2 | 135 | 57.5 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1686 | H | 26.7 | Very low | 25.8 | Very low | 169 Ų | 169 | 141.9 Ų | 141.9 | 78% | 0.782 | 75% | 0.746 | S | S | * | * | -173.8 | 111.4 | 118.1 | -97.2 | -67.4 | 0 | 0 | 0 | 108.3 | |||||
| 1687 | S | 25.9 | Very low | 26 | Very low | 82 Ų | 82 | 136.7 Ų | 136.7 | 57% | 0.573 | 74% | 0.735 | S | S | * | * | 78.4 | 144.1 | 80.6 | 81.3 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 1688 | H | 26.7 | Very low | 26.1 | Very low | 176 Ų | 176 | 133.5 Ų | 133.5 | 82% | 0.815 | 74% | 0.735 | S | S | * | * | cis | -161 | -166.7 | 24.3 | -120.4 | -22.1 | 0 | 0 | 0 | 112.1 | ||||
| 1689 | P | 29.4 | Very low | 26.3 | Very low | 97 Ų | 97 | 126.6 Ų | 126.6 | 63% | 0.63 | 73% | 0.728 | S | S | * | * | trans | -138.3 | -142 | -149.2 | 43 | -18.9 | 0 | 0 | 0 | 115.7 | ||||
| 1690 | T | 24.9 | Very low | 26.4 | Very low | 111 Ų | 111 | 130 Ų | 130 | 68% | 0.681 | 74% | 0.737 | S | S | * | * | trans | 84.9 | 110.9 | 150.9 | 31 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 1691 | L | 26 | Very low | 26.4 | Very low | 165 Ų | 165 | 126.6 Ų | 126.6 | 86% | 0.864 | 73% | 0.73 | S | S | * | * | 36.9 | 107.5 | 117.3 | -77.4 | 163.6 | 0 | 0 | 0 | 121.5 | |||||
| 1692 | I | 28.1 | Very low | 26.5 | Very low | 156 Ų | 156 | 127.5 Ų | 127.5 | 80% | 0.8 | 73% | 0.726 | S | S | * | * | trans | -144.8 | 127.5 | 144.8 | -54.2 | -176.3 | 0 | 0 | 0 | 104.8 | ||||
| 1693 | K | 24.4 | Very low | 26.7 | Very low | 185 Ų | 185 | 130.6 Ų | 130.6 | 80% | 0.804 | 73% | 0.734 | S | S | * | * | cis | 91.5 | 152.4 | 34.5 | -160.5 | -155.6 | 171.5 | -158.8 | 0 | 112.5 | ||||
| 1694 | V | 28.2 | Very low | 26.8 | Very low | 97 Ų | 97 | 125.4 Ų | 125.4 | 59% | 0.588 | 72% | 0.723 | S | S | * | * | trans | 91.8 | 93.4 | 166.6 | -176 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1695 | D | 30.4 | Very low | 26.8 | Very low | 126 Ų | 126 | 129.6 Ų | 129.6 | 67% | 0.674 | 73% | 0.729 | S | S | * | * | 63.8 | 141.1 | 119.5 | -45.6 | -17.6 | 0 | 0 | 0 | 123.1 | |||||
| 1696 | E | 26.9 | Very low | 26.6 | Very low | 187 Ų | 187 | 130.9 Ų | 130.9 | 87% | 0.874 | 73% | 0.732 | S | S | * | * | trans | 59.4 | 143 | 141.4 | -71.1 | 173.8 | -171.3 | 0 | 0 | 121.3 | ||||
| 1697 | A | 29.8 | Very low | 26.5 | Very low | 75 Ų | 75 | 131.7 Ų | 131.7 | 62% | 0.62 | 73% | 0.733 | S | S | * | * | cis | -161.1 | 170.1 | -10.1 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 1698 | N | 27.7 | Very low | 26.3 | Very low | 165 Ų | 165 | 135.6 Ų | 135.6 | 88% | 0.882 | 74% | 0.74 | S | S | * | * | trans | 64.2 | 128.7 | 176.7 | -50.7 | -33.4 | 0 | 0 | 0 | 114.6 | ||||
| 1699 | G | 26.9 | Very low | 26.2 | Very low | 62 Ų | 62 | 133.2 Ų | 133.2 | 64% | 0.639 | 73% | 0.732 | S | S | * | * | cis | 109.5 | 135.1 | 12.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1700 | T | 24.9 | Very low | 26.1 | Very low | 135 Ų | 135 | 135.4 Ų | 135.4 | 83% | 0.828 | 74% | 0.738 | S | S | * | * | trans | 45.4 | 99.2 | 166 | 54.7 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1701 | A | 25.7 | Very low | 26.3 | Very low | 83 Ų | 83 | 134.6 Ų | 134.6 | 69% | 0.686 | 74% | 0.737 | S | S | * | * | 41.5 | 107.1 | 82.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 1702 | N | 24.6 | Very low | 26.4 | Very low | 141 Ų | 141 | 133.7 Ų | 133.7 | 75% | 0.754 | 73% | 0.733 | S | S | * | * | -177 | 137.5 | 116.9 | -92.4 | -35.2 | 0 | 0 | 0 | 113.8 | |||||
| 1703 | I | 28.9 | Very low | 26.4 | Very low | 143 Ų | 143 | 132 Ų | 132 | 73% | 0.733 | 73% | 0.73 | S | S | * | * | 34.1 | 133.6 | 122.6 | -51.1 | 171.4 | 0 | 0 | 0 | 118.5 | |||||
| 1704 | S | 25.2 | Very low | 26.4 | Very low | 90 Ų | 90 | 128.5 Ų | 128.5 | 63% | 0.629 | 73% | 0.729 | S | S | * | * | trans | 77.1 | 107.7 | 163.3 | 71.7 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1705 | H | 23.3 | Very low | 26.3 | Very low | 164 Ų | 164 | 127.1 Ų | 127.1 | 76% | 0.759 | 73% | 0.734 | S | S | * | * | -149.8 | 122.5 | 108.8 | -91.5 | -84.7 | 0 | 0 | 0 | 104.5 | |||||
| 1706 | N | 24.7 | Very low | 26 | Very low | 140 Ų | 140 | 128.1 Ų | 128.1 | 75% | 0.749 | 74% | 0.74 | S | S | * | * | cis | 63.8 | 153.5 | 37.1 | -148.9 | 0.1 | 0 | 0 | 0 | 113 | K1708 | N1706-K1708 PolarHBondContact O-N 2.85Š| ||
| 1707 | F | 23.1 | Very low | 25.9 | Very low | 185 Ų | 185 | 125.7 Ų | 125.7 | 81% | 0.811 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -40.2 | 110.4 | 172 | -107.3 | -98.3 | 0 | 0 | 0 | 112 | ||
| 1708 | K | 22.7 | Very low | 26 | Very low | 165 Ų | 165 | 131.4 Ų | 131.4 | 72% | 0.717 | 74% | 0.738 | S | S | * | * | 168.1 | 118.1 | 127.8 | -91.7 | 173.3 | -179.6 | -179.5 | 0 | 111.1 | N1706 | N1706-K1708 PolarHBondContact O-N 2.85Š| |||
| 1709 | I | 24.5 | Very low | 26 | Very low | 126 Ų | 126 | 130.7 Ų | 130.7 | 65% | 0.646 | 74% | 0.735 | S | S | * | * | 72.8 | 101.9 | 94.2 | -67.7 | -178.9 | 0 | 0 | 0 | 112.1 | |||||
| 1710 | N | 26.3 | Very low | 25.9 | Very low | 143 Ų | 143 | 133.7 Ų | 133.7 | 77% | 0.765 | 74% | 0.736 | S | S | * | * | trans | 63.3 | 162 | 147.7 | -53 | 1.7 | 0 | 0 | 0 | 116.4 | ||||
| 1711 | S | 30 | Very low | 25.9 | Very low | 93 Ų | 93 | 134 Ų | 134 | 65% | 0.65 | 73% | 0.728 | S | S | * | * | cis | -145.7 | 159.2 | 12.2 | -36.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1712 | N | 28.4 | Very low | 25.8 | Very low | 146 Ų | 146 | 134.5 Ų | 134.5 | 78% | 0.781 | 72% | 0.716 | S | S | * | * | trans | 49.2 | 120.5 | 136.5 | -56.5 | 0.3 | 0 | 0 | 0 | 118.1 | ||||
| 1713 | T | 27.5 | Very low | 25.7 | Very low | 122 Ų | 122 | 135.3 Ų | 135.3 | 75% | 0.748 | 71% | 0.713 | S | S | * | * | cis | -155.6 | 141.7 | 18 | -0.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1714 | S | 25.5 | Very low | 25.6 | Very low | 111 Ų | 111 | 134.6 Ų | 134.6 | 78% | 0.776 | 71% | 0.711 | S | S | * | * | trans | -0.8 | 137.1 | 140.9 | 58.5 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1715 | G | 25.7 | Very low | 25.6 | Very low | 68 Ų | 68 | 136.2 Ų | 136.2 | 70% | 0.701 | 72% | 0.717 | S | S | * | * | cis | 160.9 | -173.7 | -1.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1716 | N | 24.5 | Very low | 25.7 | Very low | 147 Ų | 147 | 132 Ų | 132 | 79% | 0.786 | 72% | 0.717 | S | S | * | * | trans | 62.3 | 99 | 174.8 | -67 | 1.2 | 0 | 0 | 0 | 117.5 | ||||
| 1717 | N | 23.4 | Very low | 25.8 | Very low | 135 Ų | 135 | 131.3 Ų | 131.3 | 72% | 0.722 | 71% | 0.713 | S | S | * | * | trans | 81.5 | 139.8 | 131.7 | -60.5 | -14.5 | 0 | 0 | 0 | 121.1 | ||||
| 1718 | R | 32.5 | Very low | 25.8 | Very low | 195 Ų | 195 | 131.5 Ų | 131.5 | 74% | 0.736 | 71% | 0.714 | S | S | * | * | trans | 41.8 | 133.5 | 135.1 | -62.7 | 177.7 | 172.5 | -175.9 | -5.1 | 118.9 | ||||
| 1719 | N | 28.6 | Very low | 25.8 | Very low | 151 Ų | 151 | 127.4 Ų | 127.4 | 81% | 0.807 | 71% | 0.706 | S | S | * | * | trans | 66.9 | 170.9 | -175.3 | -53.5 | -38.6 | 0 | 0 | 0 | 112.4 | ||||
| 1720 | N | 25 | Very low | 25.7 | Very low | 125 Ų | 125 | 126.5 Ų | 126.5 | 67% | 0.668 | 71% | 0.706 | S | S | * | * | trans | 60.1 | 148.3 | -162.4 | -66.3 | 31.6 | 0 | 0 | 0 | 113 | ||||
| 1721 | E | 24.2 | Very low | 25.6 | Very low | 141 Ų | 141 | 126.2 Ų | 126.2 | 66% | 0.659 | 71% | 0.705 | S | S | * | * | cis | -124.5 | 144.1 | -18.9 | -102.1 | 137.9 | -137.1 | 0 | 0 | 105.5 | ||||
| 1722 | Q | 23.2 | Very low | 25.3 | Very low | 93 Ų | 93 | 124.8 Ų | 124.8 | 44% | 0.435 | 70% | 0.695 | S | S | . | * | 50.7 | 160.2 | 71.4 | -55.3 | -176.8 | -28.6 | 0 | 0 | 114.4 | E312 | E312-Q1722 PolarHBondContact O-NE2 3.16Š| |||
| 1723 | F | 23.6 | Very low | 25 | Very low | 159 Ų | 159 | 129.4 Ų | 129.4 | 70% | 0.697 | 70% | 0.702 | S | S | * | * | trans | 64.3 | 131 | 165.7 | -71.3 | -90.5 | 0 | 0 | 0 | 118.7 | ||||
| 1724 | N | 25.3 | Very low | 24.8 | Very low | 128 Ų | 128 | 125.3 Ų | 125.3 | 68% | 0.684 | 68% | 0.68 | S | S | * | * | cis | -171.5 | -157.6 | -24.1 | -131.4 | 8 | 0 | 0 | 0 | 110.3 | ||||
| 1725 | V | 26.2 | Very low | 24.7 | Very low | 124 Ų | 124 | 124.1 Ų | 124.1 | 75% | 0.752 | 67% | 0.672 | S | S | * | * | trans | 81.4 | 90.3 | 152.1 | -160.8 | 0 | 0 | 0 | 0 | 113.2 | L1727 | V1725-L1727 HydrophobicContact CG1-CD1 3.51Š| ||
| 1726 | G | 25.9 | Very low | 24.6 | Very low | 75 Ų | 75 | 126.3 Ų | 126.3 | 77% | 0.773 | 68% | 0.676 | S | S | * | * | cis | 168.5 | -145.5 | 0.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1727 | L | 25.1 | Very low | 24.6 | Very low | 125 Ų | 125 | 121.9 Ų | 121.9 | 65% | 0.654 | 67% | 0.666 | S | S | * | * | cis | -154.2 | 116.7 | 9.1 | -113.1 | 99.4 | 0 | 0 | 0 | 108.8 | V1725 | V1725-L1727 HydrophobicContact CG1-CD1 3.51Š| ||
| 1728 | F | 24 | Very low | 24.6 | Very low | 189 Ų | 189 | 123.4 Ų | 123.4 | 83% | 0.829 | 67% | 0.668 | S | S | * | * | trans | 56.8 | 164.8 | 159.9 | -55.8 | -86.1 | 0 | 0 | 0 | 117.7 | ||||
| 1729 | S | 22.6 | Very low | 24.2 | Very low | 80 Ų | 80 | 119.4 Ų | 119.4 | 56% | 0.559 | 67% | 0.668 | S | S | * | * | cis | -145.2 | 158 | -15 | -126.4 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 1730 | T | 23.3 | Very low | 24 | Very low | 106 Ų | 106 | 119.2 Ų | 119.2 | 65% | 0.65 | 67% | 0.666 | S | S | * | * | 40 | 131.4 | 85.7 | 97 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 1731 | D | 22.3 | Very low | 24 | Very low | 137 Ų | 137 | 120.4 Ų | 120.4 | 73% | 0.733 | 67% | 0.672 | S | S | * | * | cis | -146.8 | 164.9 | 20.7 | -84.3 | -72.3 | 0 | 0 | 0 | 114.3 | ||||
| 1732 | S | 24.6 | Very low | 23.9 | Very low | 63 Ų | 63 | 119 Ų | 119 | 44% | 0.441 | 68% | 0.677 | S | S | . | * | trans | -25.1 | 133.9 | 165.8 | -65.8 | 0 | 0 | 0 | 0 | 118.4 | H303 | H303-S1732 WeakPolarHBondContact CE1-CB 3.08Å; H303-S1732 PolarHBondContact CE1-OG 2.76Å; H303-S1732 VanDerWaalsContact CE1-OG 3.3Å; H303-S1732 PolarHBondContact ND1-OG 3.25Å; H303-S1732 WeakPolarHBondContact NE2-CB 3.2Å; H303-S1732 PolarHBondContact NE2-OG 3.44Å | ||
| 1733 | W | 23 | Very low | 24 | Very low | 244 Ų | 244 | 120 Ų | 120 | 92% | 0.924 | 70% | 0.695 | S | S | * | * | trans | -126.1 | 108.3 | 149.1 | -87.6 | 61.5 | 0 | 0 | 0 | 109.8 | ||||
| 1734 | A | 22.5 | Very low | 24 | Very low | 36 Ų | 36 | 119.8 Ų | 119.8 | 30% | 0.298 | 70% | 0.701 | S | S | . | * | trans | -101 | 167.8 | 160.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | Y294 | Y294-A1734 WeakPolarHBondContact OH-CB 3.45Š| ||
| 1735 | S | 22.9 | Very low | 24.1 | Very low | 86 Ų | 86 | 121.6 Ų | 121.6 | 60% | 0.601 | 71% | 0.705 | S | S | * | * | trans | 60.7 | 76.2 | 160.9 | -58.4 | 0 | 0 | 0 | 0 | 118.3 | Y294 | Y294-S1735 PolarHBondContact OH-OG 3.02Š| ||
| 1736 | S | 23.9 | Very low | 24 | Very low | 113 Ų | 113 | 122.8 Ų | 122.8 | 79% | 0.79 | 70% | 0.703 | S | S | * | * | trans | -146.8 | 134.5 | 141.1 | 65.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1737 | G | 23.8 | Very low | 23.9 | Very low | 55 Ų | 55 | 124.5 Ų | 124.5 | 57% | 0.567 | 70% | 0.703 | S | S | * | * | trans | -123.4 | 137.3 | 175 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1738 | Q | 23.5 | Very low | 23.9 | Very low | 166 Ų | 166 | 123.3 Ų | 123.3 | 78% | 0.776 | 71% | 0.705 | S | S | * | * | trans | -142.9 | 125.2 | 156.5 | -79 | -158 | -51.7 | 0 | 0 | 109.5 | ||||
| 1739 | P | 24.1 | Very low | 24.1 | Very low | 112 Ų | 112 | 122.1 Ų | 122.1 | 73% | 0.727 | 71% | 0.706 | S | S | * | * | trans | -87.1 | 128.2 | 159.4 | 33.3 | -27.5 | 0 | 0 | 0 | 109.1 | ||||
| 1740 | L | 25.4 | Very low | 24.2 | Very low | 146 Ų | 146 | 123 Ų | 123 | 76% | 0.764 | 71% | 0.712 | S | S | * | * | trans | -133.5 | 145.4 | 170.7 | -79.8 | 174.7 | 0 | 0 | 0 | 111.1 | ||||
| 1741 | L | 23.8 | Very low | 24.3 | Very low | 151 Ų | 151 | 125.6 Ų | 125.6 | 79% | 0.791 | 72% | 0.717 | S | S | * | * | trans | -90.1 | 161.6 | -178.6 | -75.9 | 65.4 | 0 | 0 | 0 | 110.6 | ||||
| 1742 | S | 22.8 | Very low | 24.4 | Very low | 111 Ų | 111 | 127.1 Ų | 127.1 | 78% | 0.776 | 72% | 0.724 | S | S | * | * | trans | 39.3 | 111.7 | 145.6 | 61.7 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1743 | S | 25.3 | Very low | 24.5 | Very low | 115 Ų | 115 | 132.6 Ų | 132.6 | 80% | 0.804 | 74% | 0.744 | S | S | * | * | -171.9 | 157.8 | 96.2 | 64.4 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 1744 | D | 24.3 | Very low | 24.6 | Very low | 154 Ų | 154 | 128.3 Ų | 128.3 | 82% | 0.824 | 74% | 0.739 | S | S | * | * | trans | -72.9 | 148.6 | 179.4 | -48.6 | -88 | 0 | 0 | 0 | 113.5 | ||||
| 1745 | Q | 27.1 | Very low | 24.7 | Very low | 165 Ų | 165 | 131 Ų | 131 | 77% | 0.771 | 76% | 0.755 | S | S | * | * | trans | -161.6 | 128.9 | 146.7 | -113.9 | 171.6 | 31.1 | 0 | 0 | 111 | ||||
| 1746 | E | 24 | Very low | 24.8 | Very low | 150 Ų | 150 | 134.9 Ų | 134.9 | 70% | 0.701 | 77% | 0.769 | S | S | * | * | trans | -79.9 | 160.1 | 177.6 | -67.3 | -173.4 | 123.4 | 0 | 0 | 112.7 | R1438 | R1438-E1746 IonicContact NH2-OE2 2.71Š| ||
| 1747 | S | 24.5 | Very low | 24.8 | Very low | 111 Ų | 111 | 136.8 Ų | 136.8 | 78% | 0.776 | 76% | 0.764 | S | S | * | * | trans | 67.7 | 102.3 | 150.1 | 70.3 | 0 | 0 | 0 | 0 | 120 | ||||
| 1748 | S | 25.2 | Very low | 24.8 | Very low | 99 Ų | 99 | 137.2 Ų | 137.2 | 69% | 0.692 | 77% | 0.768 | S | S | * | * | -177.6 | 175.6 | 126.3 | 46.7 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 1749 | L | 27.4 | Very low | 24.9 | Very low | 165 Ų | 165 | 138.8 Ų | 138.8 | 86% | 0.864 | 77% | 0.768 | S | S | * | * | trans | 62.7 | 61.5 | 179.1 | -65.7 | 167.4 | 0 | 0 | 0 | 115.4 | ||||
| 1750 | S | 24.8 | Very low | 24.9 | Very low | 98 Ų | 98 | 139.7 Ų | 139.7 | 69% | 0.685 | 77% | 0.772 | S | S | * | * | trans | -48.4 | 164.3 | 141 | 47.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1751 | H | 25 | Very low | 25 | Very low | 161 Ų | 161 | 134.9 Ų | 134.9 | 75% | 0.745 | 75% | 0.75 | S | S | * | * | trans | 71.9 | 72.8 | -173.2 | -58.7 | -99.4 | 0 | 0 | 0 | 116.6 | ||||
| 1752 | L | 25 | Very low | 25 | Very low | 169 Ų | 169 | 128.6 Ų | 128.6 | 89% | 0.885 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -170 | 30.1 | 138.5 | -105.4 | 162.9 | 0 | 0 | 0 | 116.7 | ||
| 1753 | M | 26.1 | Very low | 25.2 | Very low | 177 Ų | 177 | 127.5 Ų | 127.5 | 87% | 0.872 | 70% | 0.702 | S | S | * | * | trans | -136 | 21.9 | 172.8 | -85.6 | -64.7 | -179 | 0 | 0 | 114.6 | S1755 | M1753-S1755 PolarHBondContact O-N 2.94Š| ||
| 1754 | L | 24.4 | Very low | 25.3 | Very low | 155 Ų | 155 | 123.8 Ų | 123.8 | 81% | 0.812 | 68% | 0.676 | S | S | * | * | trans | -82.1 | 53.6 | 179.2 | -76.3 | 169.3 | 0 | 0 | 0 | 112.9 | ||||
| 1755 | S | 24.5 | Very low | 25.4 | Very low | 91 Ų | 91 | 119.9 Ų | 119.9 | 64% | 0.636 | 65% | 0.65 | S | S | * | * | trans | -154.1 | 74.7 | -179.5 | 52.9 | 0 | 0 | 0 | 0 | 113.7 | M1753 | M1753-S1755 PolarHBondContact O-N 2.94Š| ||
| 1756 | N | 26.1 | Very low | 25.3 | Very low | 168 Ų | 168 | 117.5 Ų | 117.5 | 90% | 0.898 | 65% | 0.651 | S | S | * | * | trans | 179 | 61.1 | 150.5 | -92.7 | -27.9 | 0 | 0 | 0 | 111.9 | ||||
| 1757 | F | 23.9 | Very low | 25.5 | Very low | 154 Ų | 154 | 115.4 Ų | 115.4 | 68% | 0.675 | 65% | 0.653 | S | S | * | * | trans | -91.6 | 117.5 | 159.7 | -86 | -93.2 | 0 | 0 | 0 | 108 | ||||
| 1758 | G | 24.4 | Very low | 25.5 | Very low | 63 Ų | 63 | 118 Ų | 118 | 65% | 0.649 | 66% | 0.655 | S | S | * | * | trans | -169.8 | 168.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1759 | Y | 25.5 | Very low | 25.5 | Very low | 199 Ų | 199 | 118.9 Ų | 118.9 | 78% | 0.78 | 66% | 0.656 | S | S | * | * | trans | 69.7 | 58 | 170.4 | -56.2 | -70.3 | 0 | 0 | 0 | 118.9 | ||||
| 1760 | T | 23 | Very low | 25.4 | Very low | 131 Ų | 131 | 116.3 Ų | 116.3 | 80% | 0.804 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -127.2 | 15 | 141.9 | 52.3 | 0 | 0 | 0 | 0 | 114.1 | ||
| 1761 | S | 27 | Very low | 25.8 | Very low | 45 Ų | 45 | 118.4 Ų | 118.4 | 32% | 0.315 | 65% | 0.651 | S | S | . | * | S | Bend | trans | -156 | -179.7 | 173.6 | 73 | 0 | 0 | 0 | 0 | 110.9 | E1824 | S1761-E1824 WeakPolarHBondContact CB-OE1 3.34Å; S1761-E1824 PolarHBondContact OG-OE1 3.36Å |
| 1762 | S | 25.3 | Very low | 25.7 | Very low | 20 Ų | 20 | 116 Ų | 116 | 14% | 0.14 | 65% | 0.652 | C | S | . | * | cis | 166.4 | 5.6 | 8.7 | 87.3 | 0 | 0 | 0 | 0 | 115.8 | Q1884 | S1762-Q1884 WeakPolarHBondContact OG-CG 3.31Å; S1762-Q1884 PolarHBondContact OG-NE2 2.54Å | ||
| 1763 | E | 26.2 | Very low | 25.9 | Very low | 88 Ų | 88 | 113.9 Ų | 113.9 | 41% | 0.411 | 65% | 0.648 | S | S | . | * | -63.1 | -99.3 | -119.5 | 20.2 | 61 | 98.8 | 0 | 0 | 118.2 | Y1887 Q1891 M1894 | E1763-Y1887 HydrophobicContact CG-CD2 3.85Å; E1763-Y1887 HydrophobicContact CG-CE2 4.23Å; E1763-Y1887 VanDerWaalsContact OE2-CA 3.31Å; E1763-Y1887 WeakPolarHBondContact OE2-CA 3.28Å; E1763-Y1887 WeakPolarHBondContact OE2-CB 3.45Å; E1763-Y1887 WeakPolarHBondContact OE2-CD2 3.36Å; E1763-Q1891 PolarHBondContact OE1-NE2 2.9Å; E1763-M1894 WeakPolarHBondContact OE1-CE 3.31Å | |||
| 1764 | S | 28.1 | Very low | 26 | Very low | 36 Ų | 36 | 108.4 Ų | 108.4 | 25% | 0.252 | 64% | 0.637 | S | S | . | * | cis | -154.6 | 143.4 | 14.7 | 66.3 | 0 | 0 | 0 | 0 | 114.4 | R1890 | S1764-R1890 PolarHBondContact O-NH1 2.99Å; S1764-R1890 WeakPolarHBondContact OG-CD 3.23Å | ||
| 1765 | R | 25.6 | Very low | 26.2 | Very low | 73 Ų | 73 | 110.4 Ų | 110.4 | 28% | 0.275 | 64% | 0.642 | S | S | . | * | trans | 42.2 | 146.7 | 176.4 | -96.7 | -161 | -164.4 | 130.3 | -4.4 | 121.9 | R1890 Q1893 M1894 | R1765-R1890 HydrophobicContact CG-CB 4.38Å; R1765-Q1893 VanDerWaalsContact NH2-C 3.34Å; R1765-Q1893 VanDerWaalsContact NH2-CG 3.3Å; R1765-Q1893 PolarHBondContact NH2-O 3.06Å; R1765-M1894 HydrophobicContact CB-SD 4.49Å; R1765-M1894 HydrophobicContact CG-CE 4.06Å; R1765-M1894 HydrophobicContact CG-CG 3.73Å; R1765-M1894 HydrophobicContact CG-SD 3.45Å; R1765-M1894 WeakPolarHBondContact CG-SD 3.44Å | ||
| 1766 | S | 26 | Very low | 26.5 | Very low | 114 Ų | 114 | 114.6 Ų | 114.6 | 80% | 0.797 | 65% | 0.651 | S | S | * | * | trans | 69.4 | 126.5 | 155 | -57.4 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1767 | S | 27 | Very low | 26.6 | Very low | 107 Ų | 107 | 112.8 Ų | 112.8 | 75% | 0.748 | 64% | 0.642 | S | S | * | * | cis | -123.8 | 154 | 13.7 | 54.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 1768 | M | 24.7 | Very low | 26.6 | Very low | 166 Ų | 166 | 113.6 Ų | 113.6 | 82% | 0.818 | 64% | 0.64 | S | S | * | * | 35.7 | 122.2 | 86 | -93.2 | 177.5 | 160.4 | 0 | 0 | 112.6 | |||||
| 1769 | T | 25.8 | Very low | 26.8 | Very low | 117 Ų | 117 | 117 Ų | 117 | 72% | 0.718 | 64% | 0.644 | S | S | * | * | cis | 168.9 | 179.8 | -7.2 | 15 | 0 | 0 | 0 | 0 | 103.6 | ||||
| 1770 | V | 24.3 | Very low | 26.8 | Very low | 111 Ų | 111 | 115.1 Ų | 115.1 | 67% | 0.673 | 64% | 0.64 | S | S | * | * | trans | 70.4 | 88.3 | 169.7 | -166.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1771 | N | 34.5 | Very low | 27.1 | Very low | 142 Ų | 142 | 112.7 Ų | 112.7 | 76% | 0.759 | 63% | 0.628 | S | S | * | * | 64.9 | 114.3 | 74.8 | -53.9 | -21.9 | 0 | 0 | 0 | 110.5 | |||||
| 1772 | S | 22.1 | Very low | 26.9 | Very low | 110 Ų | 110 | 118.3 Ų | 118.3 | 77% | 0.769 | 65% | 0.654 | S | S | * | * | trans | 79.7 | 157.6 | -136.1 | -47 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1773 | P | 28.7 | Very low | 26.8 | Very low | 125 Ų | 125 | 122 Ų | 122 | 81% | 0.812 | 69% | 0.686 | S | S | * | * | cis | -73.4 | 168.6 | -15.3 | 35.7 | -35.3 | 0 | 0 | 0 | 110.5 | ||||
| 1774 | G | 28 | Very low | 27 | Very low | 61 Ų | 61 | 121 Ų | 121 | 63% | 0.629 | 70% | 0.699 | S | S | * | * | 67.7 | 112.1 | 61.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 1775 | Q | 29.5 | Very low | 26.8 | Very low | 197 Ų | 197 | 125 Ų | 125 | 92% | 0.921 | 73% | 0.727 | S | S | * | * | cis | -108.9 | 111.3 | 35.2 | -71.6 | 162.3 | -8.9 | 0 | 0 | 115.1 | N1777 | Q1775-N1777 PolarHBondContact O-N 2.78Å; Q1775-N1777 VanDerWaalsContact O-N 3.09Å | ||
| 1776 | H | 30.4 | Very low | 26.9 | Very low | 179 Ų | 179 | 126.9 Ų | 126.9 | 83% | 0.829 | 75% | 0.751 | S | S | * | * | trans | -49 | 110.4 | 132.2 | -125.7 | -82.1 | 0 | 0 | 0 | 108.6 | ||||
| 1777 | N | 28.2 | Very low | 27.2 | Very low | 131 Ų | 131 | 127.6 Ų | 127.6 | 70% | 0.701 | 75% | 0.751 | S | S | * | * | trans | -19 | 137.6 | 159.6 | -179 | 5 | 0 | 0 | 0 | 114.9 | Q1775 | Q1775-N1777 PolarHBondContact O-N 2.78Å; Q1775-N1777 VanDerWaalsContact O-N 3.09Å | ||
| 1778 | R | 25.3 | Very low | 27.3 | Very low | 171 Ų | 171 | 126.9 Ų | 126.9 | 65% | 0.645 | 74% | 0.743 | S | S | * | * | trans | 119.6 | 142 | 174.2 | -73.4 | 163.7 | -172.1 | -177.2 | 3.8 | 111.2 | F1780 | R1778-F1780 HydrophobicContact CB-CB 3.73Å; R1778-F1780 HydrophobicContact CB-CD1 4.11Å; R1778-F1780 HydrophobicContact CB-CD2 3.25Å; R1778-F1780 HydrophobicContact CB-CE2 3.83Å; R1778-F1780 HydrophobicContact CB-CG 3.4Å; R1778-F1780 HydrophobicContact CB-CZ 4.47Å; R1778-F1780 VanDerWaalsContact CB-N 3.35Å; R1778-F1780 HydrophobicContact CG-CD2 4.31Å; R1778-F1780 HydrophobicContact CG-CG 4.32Å | ||
| 1779 | N | 27.1 | Very low | 27.4 | Very low | 135 Ų | 135 | 124.4 Ų | 124.4 | 72% | 0.722 | 74% | 0.737 | S | S | * | * | cis | 29.2 | 75.1 | 10.6 | -156.2 | 11.4 | 0 | 0 | 0 | 115.1 | S1781 | N1779-S1781 PolarHBondContact OD1-N 3.26Å; N1779-S1781 PolarHBondContact OD1-OG 2.68Å | ||
| 1780 | F | 26.5 | Very low | 27.5 | Very low | 158 Ų | 158 | 126.6 Ų | 126.6 | 69% | 0.693 | 74% | 0.74 | S | S | * | * | cis | 56.1 | 30.4 | 6.6 | -68.5 | -36.3 | 0 | 0 | 0 | 114.8 | R1778 | R1778-F1780 HydrophobicContact CB-CB 3.73Å; R1778-F1780 HydrophobicContact CB-CD1 4.11Å; R1778-F1780 HydrophobicContact CB-CD2 3.25Å; R1778-F1780 HydrophobicContact CB-CE2 3.83Å; R1778-F1780 HydrophobicContact CB-CG 3.4Å; R1778-F1780 HydrophobicContact CB-CZ 4.47Å; R1778-F1780 VanDerWaalsContact CB-N 3.35Å; R1778-F1780 HydrophobicContact CG-CD2 4.31Å; R1778-F1780 HydrophobicContact CG-CG 4.32Å | ||
| 1781 | S | 28.2 | Very low | 27.6 | Very low | 81 Ų | 81 | 126.2 Ų | 126.2 | 57% | 0.566 | 74% | 0.742 | S | S | * | * | -108.5 | 90.7 | 122.4 | 52.7 | 0 | 0 | 0 | 0 | 108.5 | N1779 | N1779-S1781 PolarHBondContact OD1-N 3.26Å; N1779-S1781 PolarHBondContact OD1-OG 2.68Å | |||
| 1782 | L | 23.1 | Very low | 27.1 | Very low | 162 Ų | 162 | 125 Ų | 125 | 85% | 0.848 | 73% | 0.727 | S | S | * | * | trans | 69.5 | 158.5 | 162.1 | -71.1 | 73.8 | 0 | 0 | 0 | 118 | ||||
| 1783 | A | 24.4 | Very low | 27.3 | Very low | 98 Ų | 98 | 123.2 Ų | 123.2 | 81% | 0.81 | 71% | 0.709 | S | S | * | * | cis | -162.2 | 147.6 | -28.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1784 | G | 28.9 | Very low | 27.2 | Very low | 67 Ų | 67 | 121.3 Ų | 121.3 | 69% | 0.691 | 70% | 0.698 | S | S | * | * | trans | 157.6 | 87.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1785 | S | 24.8 | Very low | 27.1 | Very low | 121 Ų | 121 | 123.5 Ų | 123.5 | 85% | 0.846 | 69% | 0.692 | S | S | * | * | 56.1 | 121.7 | 81.1 | -60.8 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 1786 | S | 26.6 | Very low | 26.9 | Very low | 112 Ų | 112 | 121 Ų | 121 | 78% | 0.783 | 68% | 0.68 | S | S | * | * | cis | -169.4 | 179.3 | 5.1 | 57.6 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1787 | V | 33.9 | Very low | 26.6 | Very low | 129 Ų | 129 | 120.3 Ų | 120.3 | 78% | 0.782 | 68% | 0.677 | S | S | * | * | cis | -171.3 | 173.5 | 9.4 | 92 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 1788 | P | 28.5 | Very low | 26.4 | Very low | 92 Ų | 92 | 118.3 Ų | 118.3 | 60% | 0.597 | 67% | 0.673 | S | S | * | * | cis | -127.8 | -167.5 | -17.9 | 35.4 | -14.2 | 0 | 0 | 0 | 113.5 | ||||
| 1789 | T | 27.3 | Very low | 26.4 | Very low | 113 Ų | 113 | 115.8 Ų | 115.8 | 69% | 0.693 | 68% | 0.677 | S | S | * | * | trans | 57.5 | 138.5 | 148.8 | 46.6 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 1790 | E | 27.4 | Very low | 26.4 | Very low | 164 Ų | 164 | 116.4 Ų | 116.4 | 77% | 0.766 | 68% | 0.68 | S | S | * | * | cis | -164.9 | 123.8 | -15.5 | -142.9 | 169.3 | -144.5 | 0 | 0 | 113.4 | ||||
| 1791 | S | 26 | Very low | 26.4 | Very low | 102 Ų | 102 | 117.3 Ų | 117.3 | 71% | 0.713 | 69% | 0.687 | S | S | * | * | trans | 66.2 | 169.9 | 151.4 | 91.6 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1792 | R | 25.3 | Very low | 26.7 | Very low | 117 Ų | 117 | 117.5 Ų | 117.5 | 44% | 0.442 | 69% | 0.686 | S | S | . | * | cis | -154.5 | 116.4 | -13.4 | -138.6 | 156.3 | 173.4 | -148.9 | 8.4 | 111.8 | Q1641 N1643 | Q1641-R1792 HydrophobicContact CB-CG 4.44Å; Q1641-R1792 HydrophobicContact CG-CB 3.95Å; Q1641-R1792 HydrophobicContact CG-CG 3.96Å; Q1641-R1792 VanDerWaalsContact OE1-CD 3.28Å; N1643-R1792 PolarHBondContact ND2-NH2 2.89Å; N1643-R1792 PolarHBondContact OD1-NE 3.26Å | ||
| 1793 | N | 25.7 | Very low | 26.8 | Very low | 73 Ų | 73 | 115.9 Ų | 115.9 | 39% | 0.39 | 68% | 0.683 | S | S | . | * | trans | 37.8 | 119.3 | 134.5 | -53.2 | -45.1 | 0 | 0 | 0 | 121.7 | Q1641 N1643 | Q1641-N1793 PolarHBondContact N-O 3.14Å; N1643-N1793 WeakPolarHBondContact CA-ND2 3.32Å; N1643-N1793 PolarHBondContact N-ND2 3.23Å; N1643-N1793 PolarHBondContact OD1-ND2 2.97Å | ||
| 1794 | S | 26.5 | Very low | 27 | Very low | 84 Ų | 84 | 115.5 Ų | 115.5 | 59% | 0.587 | 67% | 0.674 | S | S | * | * | 18 | 142.7 | 120.1 | 63.2 | 0 | 0 | 0 | 0 | 121 | Q1641 | Q1641-S1794 WeakPolarHBondContact CA-O 3.32Å; Q1641-S1794 PolarHBondContact N-O 3.12Å | |||
| 1795 | E | 25.5 | Very low | 27.1 | Very low | 108 Ų | 108 | 116.9 Ų | 116.9 | 51% | 0.505 | 67% | 0.666 | S | S | . | * | -164.4 | 126.8 | 112.4 | -100.2 | 150.9 | -134.2 | 0 | 0 | 107.7 | Q1641 A1642 | Q1641-E1795 VanDerWaalsContact C-OE1 3.26Å; A1642-E1795 PolarHBondContact N-OE1 2.85Å | |||
| 1796 | Q | 25.5 | Very low | 27.2 | Very low | 145 Ų | 145 | 117.1 Ų | 117.1 | 68% | 0.678 | 66% | 0.663 | S | S | * | * | 81.5 | 139.4 | 78.5 | -82.5 | -166 | -31 | 0 | 0 | 114.6 | |||||
| 1797 | Q | 24.5 | Very low | 27.1 | Very low | 163 Ų | 163 | 119.5 Ų | 119.5 | 76% | 0.762 | 66% | 0.661 | S | S | * | * | trans | 66.2 | 148.5 | 149.9 | -75.5 | 167.4 | -7.9 | 0 | 0 | 118.5 | ||||
| 1798 | S | 23.6 | Very low | 26.6 | Very low | 89 Ų | 89 | 123.2 Ų | 123.2 | 62% | 0.622 | 66% | 0.661 | S | S | * | * | cis | 179.2 | -160.1 | -25.8 | 46.2 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 1799 | V | 24.8 | Very low | 26.4 | Very low | 118 Ų | 118 | 126.7 Ų | 126.7 | 72% | 0.715 | 67% | 0.673 | S | S | * | * | trans | 80.9 | 127.1 | 146.9 | 158.9 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1800 | D | 28.1 | Very low | 26.2 | Very low | 149 Ų | 149 | 124.8 Ų | 124.8 | 80% | 0.797 | 68% | 0.676 | S | S | * | * | trans | 79.2 | 80.7 | 153.7 | -60.6 | 1.2 | 0 | 0 | 0 | 122.6 | ||||
| 1801 | E | 26.9 | Very low | 26.1 | Very low | 176 Ų | 176 | 124.8 Ų | 124.8 | 82% | 0.822 | 68% | 0.68 | S | S | * | * | -24.5 | 174.2 | 110.8 | -100.1 | -159.8 | 134.3 | 0 | 0 | 117.4 | |||||
| 1802 | P | 33.3 | Very low | 26 | Very low | 85 Ų | 85 | 126.5 Ų | 126.5 | 55% | 0.552 | 68% | 0.681 | S | S | * | * | cis | -142.6 | -169.6 | -18.2 | 37.4 | -17 | 0 | 0 | 0 | 114.9 | ||||
| 1803 | T | 26 | Very low | 26.2 | Very low | 129 Ų | 129 | 127.1 Ų | 127.1 | 79% | 0.791 | 70% | 0.698 | S | S | * | * | trans | 68.4 | 154 | 152.8 | 55.9 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1804 | S | 28.6 | Very low | 26.2 | Very low | 89 Ų | 89 | 132.8 Ų | 132.8 | 62% | 0.622 | 71% | 0.714 | S | S | * | * | cis | -168.3 | 174 | -24.4 | 60.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1805 | N | 29.5 | Very low | 26.1 | Very low | 96 Ų | 96 | 134.6 Ų | 134.6 | 51% | 0.513 | 73% | 0.726 | S | S | . | * | trans | 86.6 | 106 | 150.9 | -72.4 | -18.5 | 0 | 0 | 0 | 124.6 | G1626 | G1626-N1805 WeakPolarHBondContact O-CB 3.17Å; G1626-N1805 PolarHBondContact O-ND2 3.14Å | ||
| 1806 | T | 27.8 | Very low | 26.1 | Very low | 127 Ų | 127 | 132.5 Ų | 132.5 | 78% | 0.779 | 73% | 0.734 | S | S | * | * | 86.2 | 138.4 | 126.7 | 65.3 | 0 | 0 | 0 | 0 | 124.9 | |||||
| 1807 | Q | 24.7 | Very low | 26 | Very low | 161 Ų | 161 | 133.4 Ų | 133.4 | 75% | 0.752 | 74% | 0.742 | S | S | * | * | trans | 103.2 | 126.6 | 157.1 | -64.2 | -152.8 | 10.1 | 0 | 0 | 121.4 | ||||
| 1808 | R | 23.3 | Very low | 25.9 | Very low | 208 Ų | 208 | 131 Ų | 131 | 79% | 0.785 | 74% | 0.741 | S | S | * | * | trans | 76.5 | 117.6 | 152.5 | -69.3 | 176.9 | -166.6 | -136.5 | 0.9 | 121.6 | ||||
| 1809 | I | 23.1 | Very low | 26 | Very low | 164 Ų | 164 | 132 Ų | 132 | 84% | 0.841 | 74% | 0.743 | S | S | * | * | trans | 63.6 | 97.3 | 138.3 | -49.7 | 167.9 | 0 | 0 | 0 | 116.6 | ||||
| 1810 | G | 24.8 | Very low | 25.9 | Very low | 73 Ų | 73 | 133.8 Ų | 133.8 | 75% | 0.753 | 75% | 0.748 | S | S | * | * | trans | -171.3 | 161.7 | 170 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1811 | L | 23.9 | Very low | 25.8 | Very low | 164 Ų | 164 | 129 Ų | 129 | 86% | 0.859 | 72% | 0.724 | S | S | * | * | trans | -88.5 | 168.6 | -175 | -78 | 96.2 | 0 | 0 | 0 | 114.5 | ||||
| 1812 | D | 24.9 | Very low | 25.6 | Very low | 138 Ų | 138 | 121.8 Ų | 121.8 | 74% | 0.738 | 69% | 0.694 | S | S | * | * | trans | 80.9 | 94 | 153.4 | -64.3 | -21 | 0 | 0 | 0 | 122.7 | ||||
| 1813 | V | 29 | Very low | 25.2 | Very low | 130 Ų | 130 | 118.3 Ų | 118.3 | 79% | 0.788 | 67% | 0.67 | S | S | * | * | 57.4 | 104.2 | 125.5 | -172.6 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 1814 | R | 24.7 | Very low | 25.2 | Very low | 193 Ų | 193 | 113.4 Ų | 113.4 | 73% | 0.728 | 64% | 0.638 | S | S | * | * | trans | -9.2 | 147.3 | 143.4 | -60.6 | 174.5 | 173.7 | 171.2 | -0.7 | 119 | ||||
| 1815 | S | 24.4 | Very low | 25 | Very low | 122 Ų | 122 | 112.6 Ų | 112.6 | 85% | 0.853 | 64% | 0.636 | S | S | * | * | trans | 63.5 | 152.9 | 150.7 | 53.6 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1816 | G | 25.6 | Very low | 24.7 | Very low | 64 Ų | 64 | 108.8 Ų | 108.8 | 66% | 0.66 | 62% | 0.618 | S | S | * | * | cis | 129.7 | 126 | -0.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1817 | L | 24 | Very low | 24.6 | Very low | 164 Ų | 164 | 104.8 Ų | 104.8 | 86% | 0.859 | 60% | 0.598 | S | S | * | * | trans | 67 | 161.4 | 175 | -73.3 | 151.7 | 0 | 0 | 0 | 115.5 | ||||
| 1818 | P | 23.8 | Very low | 24.5 | Very low | 111 Ų | 111 | 98.2 Ų | 98.2 | 72% | 0.721 | 57% | 0.574 | S | S | * | * | trans | -103.3 | 133.4 | -134.1 | 36.4 | -35.1 | 0 | 0 | 0 | 115.2 | ||||
| 1819 | V | 24.9 | Very low | 24.7 | Very low | 111 Ų | 111 | 91.7 Ų | 91.7 | 67% | 0.673 | 55% | 0.55 | S | S | * | . | trans | -135.5 | 63 | 174.4 | -166.5 | 0 | 0 | 0 | 0 | 110 | T1821 | V1819-T1821 HydrophobicContact CG1-CG2 3.58Å; V1819-T1821 WeakPolarHBondContact CG1-OG1 3.45Å; V1819-T1821 PolarHBondContact O-N 2.93Å | ||
| 1820 | N | 23.3 | Very low | 24.7 | Very low | 155 Ų | 155 | 85.9 Ų | 85.9 | 83% | 0.829 | 52% | 0.522 | S | S | * | . | trans | -79.4 | 62.1 | 176.1 | -157.8 | 16 | 0 | 0 | 0 | 110.5 | ||||
| 1821 | T | 24.2 | Very low | 24.7 | Very low | 48 Ų | 48 | 92.4 Ų | 92.4 | 29% | 0.294 | 52% | 0.524 | S | S | . | . | trans | -109.2 | 62.9 | -167 | 68.6 | 0 | 0 | 0 | 0 | 112.6 | R1489 V1819 | R1489-T1821 HydrophobicContact CB-CG2 3.63Å; R1489-T1821 HydrophobicContact CG-CG2 3.73Å; R1489-T1821 WeakPolarHBondContact O-CA 3.47Å; V1819-T1821 HydrophobicContact CG1-CG2 3.58Å; V1819-T1821 WeakPolarHBondContact CG1-OG1 3.45Å; V1819-T1821 PolarHBondContact O-N 2.93Å | ||
| 1822 | S | 23.8 | Very low | 24.8 | Very low | 25 Ų | 25 | 85.7 Ų | 85.7 | 18% | 0.175 | 49% | 0.49 | C | S | . | . | trans | -34.3 | 138.3 | 149.9 | 62.4 | 0 | 0 | 0 | 0 | 111.8 | R1489 I1490 E1491 | R1489-S1822 CarbonylContact C-O 3.58Å; I1490-S1822 CarbonylContact C-O 3.59Å; I1490-S1822 WeakPolarHBondContact CA-O 3.14Å; I1490-S1822 PolarHBondContact N-O 3.45Å; E1491-S1822 VanDerWaalsContact N-C 3.28Å; E1491-S1822 PolarHBondContact N-O 3Å; E1491-S1822 PolarHBondContact N-OG 3.44Å; E1491-S1822 WeakPolarHBondContact OE1-CA 3.27Å; E1491-S1822 VanDerWaalsContact OE2-CB 3.26Å; E1491-S1822 WeakPolarHBondContact OE2-CB 3.47Å | ||
| 1823 | F | 25.4 | Very low | 24.9 | Very low | 12 Ų | 12 | 87.2 Ų | 87.2 | 5% | 0.053 | 49% | 0.493 | C | S | . | . | trans | -163 | 119.9 | -176.1 | -160.6 | 18 | 0 | 0 | 0 | 115.1 | K1485 D1488 E1491 R1880 | K1485-F1823 HydrophobicContact CB-CZ 4.03Å; K1485-F1823 HydrophobicContact CD-CE1 3.75Å; K1485-F1823 HydrophobicContact CD-CZ 3.49Å; K1485-F1823 VanDerWaalsContact CD-CZ 3.49Å; K1485-F1823 HydrophobicContact CG-CE1 3.96Å; K1485-F1823 HydrophobicContact CG-CZ 3.72Å; D1488-F1823 VanDerWaalsContact CA-CE1 3.49Å; D1488-F1823 VanDerWaalsContact CA-CZ 3.41Å; D1488-F1823 HydrophobicContact CB-CE2 4.3Å; D1488-F1823 HydrophobicContact CB-CZ 4.02Å; D1488-F1823 VanDerWaalsContact CG-CZ 3.49Å; D1488-F1823 WeakPolarHBondContact O-CD1 3.45Å; D1488-F1823 WeakPolarHBondContact O-CD2 3.1Å; D1488-F1823 WeakPolarHBondContact O-CE1 3.16Å; D1488-F1823 WeakPolarHBondContact O-CE2 3.36Å; D1488-F1823 WeakPolarHBondContact O-CG 3.35Å; D1488-F1823 WeakPolarHBondContact O-CZ 3.2Å; D1488-F1823 WeakPolarHBondContact OD1-CE2 3.39Å; D1488-F1823 WeakPolarHBondContact OD1-CZ 3.46Å; E1491-F1823 PolarHBondContact OE1-N 3.44Å; F1823-R1880 HydrophobicContact CB-CG 4.38Å; F1823-R1880 VanDerWaalsContact CE2-CZ 3.48Å; F1823-R1880 WeakPolarHBondContact O-CG 3.33Å; F1823-R1880 PolarHBondContact O-NE 3.18Å | ||
| 1824 | E | 25.5 | Very low | 24.7 | Very low | 27 Ų | 27 | 90.6 Ų | 90.6 | 13% | 0.126 | 49% | 0.491 | C | S | . | . | trans | -129.3 | -177.5 | -162.7 | -130.4 | 171.5 | -165.9 | 0 | 0 | 114 | K1485 E1491 T1492 A1493 S1761 R1880 | K1485-E1824 PolarHBondContact NZ-O 2.75Å; E1491-E1824 HydrophobicContact CB-CB 4.19Å; E1491-E1824 HydrophobicContact CG-CB 3.71Å; E1491-E1824 HydrophobicContact CG-CG 3.77Å; T1492-E1824 PolarHBondContact N-OE2 2.91Å; T1492-E1824 PolarHBondContact OG1-O 3.34Å; A1493-E1824 PolarHBondContact N-OE2 3.18Å; S1761-E1824 WeakPolarHBondContact CB-OE1 3.34Å; S1761-E1824 PolarHBondContact OG-OE1 3.36Å; E1824-R1880 PolarHBondContact O-NH2 3.22Å | ||
| 1825 | A | 23.8 | Very low | 24.9 | Very low | 71 Ų | 71 | 86.8 Ų | 86.8 | 59% | 0.587 | 49% | 0.492 | S | S | * | . | trans | -78.3 | 144.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112 | T1492 | T1492-A1825 WeakPolarHBondContact CB-O 3.34Å; T1492-A1825 VanDerWaalsContact CG2-O 3.3Å; T1492-A1825 WeakPolarHBondContact CG2-O 3.5Å; T1492-A1825 VanDerWaalsContact OG1-C 3.28Å; T1492-A1825 PolarHBondContact OG1-O 3.18Å | ||
| 1826 | A | 24.6 | Very low | 25.1 | Very low | 16 Ų | 16 | 87.5 Ų | 87.5 | 13% | 0.132 | 49% | 0.486 | C | S | . | . | trans | -133.7 | 151.5 | 164.3 | 0 | 0 | 0 | 0 | 0 | 107.2 | R1451 W1452 T1492 | R1451-A1826 HydrophobicContact CG-CB 4.06Å; W1452-A1826 HydrophobicContact CZ3-CB 4.17Å; T1492-A1826 HydrophobicContact CG2-CB 4.18Å | ||
| 1827 | A | 23.8 | Very low | 25.3 | Very low | 44 Ų | 44 | 89.1 Ų | 89.1 | 36% | 0.364 | 49% | 0.494 | S | S | . | . | S | Bend | trans | -64.5 | 151.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 1828 | G | 23.8 | Very low | 25.4 | Very low | 23 Ų | 23 | 88.5 Ų | 88.5 | 24% | 0.237 | 49% | 0.49 | C | S | . | . | trans | 118.8 | -7.8 | 165.4 | 0 | 0 | 0 | 0 | 0 | 117.9 | R1409 V1830 | R1409-G1828 WeakPolarHBondContact CD-O 3.35Å; G1828-V1830 PolarHBondContact O-N 3.43Å; G1828-V1830 VanDerWaalsContact O-N 3.1Å | ||
| 1829 | Y | 26.8 | Very low | 25.6 | Very low | 71 Ų | 71 | 88.1 Ų | 88.1 | 28% | 0.278 | 49% | 0.487 | S | S | . | . | trans | -75.1 | 104.9 | -172.4 | -72.9 | -76.5 | 0 | 0 | 0 | 114.6 | K1485 | K1485-Y1829 HydrophobicContact CD-CE2 4.44Å; K1485-Y1829 VanDerWaalsContact CD-OH 3.27Å; K1485-Y1829 WeakPolarHBondContact CD-OH 3.25Å; K1485-Y1829 WeakPolarHBondContact CG-OH 3.3Å | ||
| 1830 | V | 24.4 | Very low | 25.7 | Very low | 41 Ų | 41 | 90.5 Ų | 90.5 | 25% | 0.248 | 50% | 0.496 | C | S | . | . | trans | -74.5 | 138.8 | 164 | 162 | 0 | 0 | 0 | 0 | 110.7 | L1182 G1828 | L1182-V1830 WeakPolarHBondContact O-CG1 3.41Å; G1828-V1830 PolarHBondContact O-N 3.43Å; G1828-V1830 VanDerWaalsContact O-N 3.1Å | ||
| 1831 | W | 24.7 | Very low | 26.1 | Very low | 210 Ų | 210 | 88.5 Ų | 88.5 | 80% | 0.795 | 49% | 0.491 | S | S | * | . | trans | -139.6 | 110.7 | 168.6 | -101.9 | 79.2 | 0 | 0 | 0 | 109.4 | ||||
| 1832 | P | 25.3 | Very low | 26.2 | Very low | 24 Ų | 24 | 95.5 Ų | 95.5 | 16% | 0.156 | 52% | 0.521 | C | S | . | . | P | Polyproline II helix | trans | -78.8 | 143.3 | 170.2 | 29.7 | -31.4 | 0 | 0 | 0 | 111.1 | ||
| 1833 | Q | 26 | Very low | 26.5 | Very low | 170 Ų | 170 | 102.1 Ų | 102.1 | 79% | 0.794 | 55% | 0.554 | S | S | * | * | P | Polyproline II helix | trans | -93.1 | 168.9 | 165.1 | -78.3 | -164.1 | -7.8 | 0 | 0 | 111.9 | ||
| 1834 | W | 26.8 | Very low | 26.8 | Very low | 200 Ų | 200 | 106.6 Ų | 106.6 | 76% | 0.758 | 59% | 0.587 | S | S | * | * | P | Polyproline II helix | trans | -97 | 145.6 | -172.5 | -64.8 | 66.8 | 0 | 0 | 0 | 111 | ||
| 1835 | P | 27.2 | Very low | 26.9 | Very low | 114 Ų | 114 | 112.1 Ų | 112.1 | 74% | 0.74 | 62% | 0.618 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 121.3 | 170.1 | 31.6 | -31.7 | 0 | 0 | 0 | 111 | ||
| 1836 | D | 29.4 | Very low | 27.1 | Very low | 136 Ų | 136 | 115.2 Ų | 115.2 | 73% | 0.727 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -92.8 | 150.6 | 165.5 | -73.7 | -38.8 | 0 | 0 | 0 | 110.3 | ||
| 1837 | A | 30.1 | Very low | 27.4 | Very low | 99 Ų | 99 | 120.4 Ų | 120.4 | 82% | 0.818 | 65% | 0.649 | S | S | * | * | trans | 74.4 | 101.9 | 167.9 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1838 | I | 26 | Very low | 27.7 | Very low | 151 Ų | 151 | 126.7 Ų | 126.7 | 77% | 0.774 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 135.3 | 147.2 | -66.6 | 167.2 | 0 | 0 | 0 | 108 | ||
| 1839 | P | 28.6 | Very low | 27.9 | Very low | 102 Ų | 102 | 129.2 Ų | 129.2 | 66% | 0.662 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 140.3 | 164.9 | 33.6 | -31.2 | 0 | 0 | 0 | 111.1 | P1841 | P1839-P1841 VanDerWaalsContact O-CD 3.32Å; P1839-P1841 WeakPolarHBondContact O-CD 3.42Å |
| 1840 | N | 25.8 | Very low | 27.9 | Very low | 161 Ų | 161 | 133.5 Ų | 133.5 | 86% | 0.861 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 128.6 | 173.1 | -76.8 | -3.8 | 0 | 0 | 0 | 111.4 | ||
| 1841 | P | 32.1 | Very low | 28 | Very low | 113 Ų | 113 | 136.2 Ų | 136.2 | 73% | 0.734 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -94.4 | 123.2 | 154.7 | 11.2 | 9.4 | 0 | 0 | 0 | 109.1 | P1839 N1843 | P1839-P1841 VanDerWaalsContact O-CD 3.32Å; P1839-P1841 WeakPolarHBondContact O-CD 3.42Å; P1841-N1843 PolarHBondContact O-N 2.93Å |
| 1842 | E | 26.6 | Very low | 27.9 | Very low | 196 Ų | 196 | 131.1 Ų | 131.1 | 92% | 0.916 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 131.1 | 166.3 | -64 | 178.6 | 143.4 | 0 | 0 | 109.1 | ||
| 1843 | N | 29.9 | Very low | 27.9 | Very low | 163 Ų | 163 | 138.4 Ų | 138.4 | 87% | 0.872 | 77% | 0.766 | S | S | * | * | trans | -142.9 | 100.1 | 171.3 | -134.8 | 12.5 | 0 | 0 | 0 | 108.9 | P1841 | P1841-N1843 PolarHBondContact O-N 2.93Š| ||
| 1844 | S | 30.6 | Very low | 27.8 | Very low | 107 Ų | 107 | 136.9 Ų | 136.9 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | trans | -81.8 | 125.1 | 175.1 | 55.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1845 | N | 28.8 | Very low | 27.7 | Very low | 143 Ų | 143 | 133 Ų | 133 | 77% | 0.765 | 77% | 0.772 | S | S | * | * | 29.4 | 134.7 | 126.3 | -63.8 | 4.2 | 0 | 0 | 0 | 117.9 | |||||
| 1846 | L | 28.3 | Very low | 27.5 | Very low | 136 Ų | 136 | 138.8 Ų | 138.8 | 71% | 0.712 | 78% | 0.781 | S | S | * | * | cis | -150.3 | 178.3 | 16.1 | -134.2 | 54.5 | 0 | 0 | 0 | 106 | ||||
| 1847 | D | 31.2 | Very low | 27.3 | Very low | 124 Ų | 124 | 138.7 Ų | 138.7 | 66% | 0.663 | 79% | 0.785 | S | S | * | * | cis | -163 | -173.9 | 33.6 | -134.2 | -39.3 | 0 | 0 | 0 | 113.5 | ||||
| 1848 | Q | 29 | Very low | 27 | Very low | 177 Ų | 177 | 141.3 Ų | 141.3 | 83% | 0.827 | 78% | 0.784 | S | S | * | * | trans | -76.3 | 170.6 | -170.4 | -55.4 | 165.1 | 15.7 | 0 | 0 | 113.6 | ||||
| 1849 | A | 28.8 | Very low | 26.8 | Very low | 76 Ų | 76 | 141 Ų | 141 | 63% | 0.628 | 79% | 0.789 | S | S | * | * | cis | -164.7 | 162.5 | 27.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1850 | N | 26.4 | Very low | 26.7 | Very low | 160 Ų | 160 | 140.1 Ų | 140.1 | 86% | 0.856 | 79% | 0.791 | S | S | * | * | trans | 40.3 | 140.2 | 138.9 | -60.3 | -8.9 | 0 | 0 | 0 | 121.8 | ||||
| 1851 | S | 25.6 | Very low | 26.8 | Very low | 99 Ų | 99 | 139.6 Ų | 139.6 | 69% | 0.692 | 79% | 0.787 | S | S | * | * | cis | -161.7 | 165.1 | 7.2 | 52.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1852 | S | 24.2 | Very low | 26.5 | Very low | 102 Ų | 102 | 140.7 Ų | 140.7 | 71% | 0.713 | 79% | 0.786 | S | S | * | * | trans | 52.1 | 121.1 | 152 | 57.9 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1853 | E | 24.3 | Very low | 26.4 | Very low | 177 Ų | 177 | 135.7 Ų | 135.7 | 83% | 0.827 | 77% | 0.773 | S | S | * | * | cis | -148.8 | 177.4 | 26.9 | -61.9 | -173.9 | 117.4 | 0 | 0 | 113.1 | ||||
| 1854 | T | 24.2 | Very low | 26.4 | Very low | 139 Ų | 139 | 136.8 Ų | 136.8 | 85% | 0.853 | 77% | 0.773 | S | S | * | * | trans | 48.9 | 90.7 | 160.5 | 51.5 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1855 | S | 24.8 | Very low | 26.3 | Very low | 118 Ų | 118 | 136.3 Ų | 136.3 | 83% | 0.825 | 77% | 0.77 | S | S | * | * | trans | -159.9 | 157.7 | 139.7 | -164.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1856 | Y | 23.5 | Very low | 26.2 | Very low | 235 Ų | 235 | 138.1 Ų | 138.1 | 92% | 0.922 | 77% | 0.773 | S | S | * | * | trans | -77.7 | 135.3 | -177.3 | -80.2 | -105.6 | 0 | 0 | 0 | 112.4 | ||||
| 1857 | V | 24 | Very low | 26.2 | Very low | 135 Ų | 135 | 137.4 Ų | 137.4 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | trans | -129 | 137.2 | 168.7 | 179.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1858 | L | 23.6 | Very low | 26.2 | Very low | 153 Ų | 153 | 136.9 Ų | 136.9 | 80% | 0.801 | 77% | 0.768 | S | S | * | * | trans | -45.2 | 142.3 | 177.6 | -58.5 | 138.2 | 0 | 0 | 0 | 115.1 | ||||
| 1859 | T | 23.2 | Very low | 26.3 | Very low | 144 Ų | 144 | 136.2 Ų | 136.2 | 88% | 0.883 | 77% | 0.769 | S | S | * | * | 164.2 | 126.3 | 110.6 | 37.2 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 1860 | A | 26.6 | Very low | 26.5 | Very low | 84 Ų | 84 | 135.2 Ų | 135.2 | 69% | 0.694 | 76% | 0.756 | S | S | * | * | trans | 176.3 | 117.6 | 157.3 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 1861 | I | 27.8 | Very low | 26.7 | Very low | 151 Ų | 151 | 130.1 Ų | 130.1 | 77% | 0.774 | 73% | 0.726 | S | S | * | * | 62.4 | 93.5 | 86.4 | -60.8 | 165.1 | 0 | 0 | 0 | 109.9 | |||||
| 1862 | D | 25.1 | Very low | 27 | Very low | 135 Ų | 135 | 131.2 Ų | 131.2 | 72% | 0.722 | 72% | 0.724 | S | S | * | * | 69.1 | 141.3 | 82.2 | -75.1 | -41.2 | 0 | 0 | 0 | 113.9 | |||||
| 1863 | S | 25.3 | Very low | 27.4 | Very low | 91 Ų | 91 | 130.9 Ų | 130.9 | 64% | 0.636 | 71% | 0.714 | S | S | * | * | cis | -166.3 | -174.9 | -12.6 | 55.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1864 | E | 28.6 | Very low | 27.9 | Very low | 186 Ų | 186 | 123 Ų | 123 | 87% | 0.869 | 68% | 0.677 | S | S | * | * | trans | 71.6 | 148.7 | 176.9 | -42.7 | -164.2 | 143.1 | 0 | 0 | 115.5 | ||||
| 1865 | S | 29.4 | Very low | 28.3 | Very low | 98 Ų | 98 | 118.6 Ų | 118.6 | 69% | 0.685 | 65% | 0.646 | S | S | * | * | cis | -146.5 | 42.7 | 17.3 | 56.9 | 0 | 0 | 0 | 0 | 115.9 | N1867 | S1865-N1867 PolarHBondContact O-N 3.25Š| ||
| 1866 | E | 27.3 | Very low | 28.8 | Very low | 180 Ų | 180 | 115.1 Ų | 115.1 | 84% | 0.841 | 62% | 0.619 | S | S | * | * | trans | -76.8 | 87.3 | 176.3 | -72.6 | -152.9 | 132.9 | 0 | 0 | 114.4 | ||||
| 1867 | N | 28.3 | Very low | 29.2 | Very low | 121 Ų | 121 | 109.4 Ų | 109.4 | 65% | 0.647 | 60% | 0.595 | S | S | * | * | trans | -130 | 102.4 | 176.7 | -82.2 | -61.6 | 0 | 0 | 0 | 112.7 | S1865 | S1865-N1867 PolarHBondContact O-N 3.25Š| ||
| 1868 | N | 30.7 | Very low | 29.7 | Very low | 114 Ų | 114 | 103.2 Ų | 103.2 | 61% | 0.61 | 56% | 0.558 | S | S | * | * | S | Bend | trans | 177.1 | -26.6 | 147.1 | -100.8 | -43.8 | 0 | 0 | 0 | 116 | F1871 | N1868-F1871 WeakPolarHBondContact O-CB 3.16Å; N1868-F1871 PolarHBondContact O-N 2.76Å |
| 1869 | L | 31.2 | Very low | 30.3 | Very low | 162 Ų | 162 | 104.8 Ų | 104.8 | 85% | 0.848 | 55% | 0.553 | S | S | * | * | G | 310 helix | trans | -66.9 | -39 | -166.7 | -145 | 77.5 | 0 | 0 | 0 | 114.7 | F1871 | L1869-F1871 PolarHBondContact O-N 2.69Š|
| 1870 | P | 31.6 | Very low | 30.8 | Very low | 55 Ų | 55 | 100.5 Ų | 100.5 | 36% | 0.357 | 52% | 0.521 | S | S | . | . | G | 310 helix | trans | -77.4 | 51.1 | 174.4 | -8.1 | 26.7 | 0 | 0 | 0 | 111.4 | Q763 P764 N765 | Q763-P1870 CarbonylContact C-O 3.47Å; Q763-P1870 VanDerWaalsContact CB-O 3.28Å; Q763-P1870 WeakPolarHBondContact CB-O 3.14Å; Q763-P1870 PolarHBondContact OE1-O 3.39Å; P764-P1870 WeakPolarHBondContact CA-O 3.26Å; P764-P1870 HydrophobicContact CB-CB 3.89Å; P764-P1870 VanDerWaalsContact CB-O 3.24Å; P764-P1870 WeakPolarHBondContact CB-O 3.12Å; P764-P1870 VanDerWaalsContact CD-C 3.44Å; P764-P1870 WeakPolarHBondContact CD-O 3.09Å; P764-P1870 HydrophobicContact CG-CB 4.4Å; P764-P1870 WeakPolarHBondContact CG-O 3.32Å; N765-P1870 HydrophobicContact CB-CB 3.77Å; N765-P1870 HydrophobicContact CB-CG 4.08Å; N765-P1870 PolarHBondContact N-O 3.12Å; N765-P1870 PolarHBondContact OD1-O 3.04Å |
| 1871 | F | 31.7 | Very low | 31.3 | Very low | 53 Ų | 53 | 98.4 Ų | 98.4 | 23% | 0.232 | 50% | 0.498 | C | S | . | . | G | 310 helix | trans | -101.3 | -46.7 | 168.2 | -140.6 | 153.7 | 0 | 0 | 0 | 112 | V761 Q763 P764 N1868 L1869 | V761-F1871 HydrophobicContact CB-CE1 4.34Å; V761-F1871 HydrophobicContact CB-CE2 3.67Å; V761-F1871 HydrophobicContact CB-CZ 3.44Å; V761-F1871 VanDerWaalsContact CB-CZ 3.44Å; V761-F1871 HydrophobicContact CG1-CD2 4.11Å; V761-F1871 HydrophobicContact CG1-CE1 4.36Å; V761-F1871 HydrophobicContact CG1-CE2 3.42Å; V761-F1871 VanDerWaalsContact CG1-CE2 3.42Å; V761-F1871 HydrophobicContact CG1-CZ 3.62Å; V761-F1871 WeakPolarHBondContact O-CE2 3.07Å; V761-F1871 WeakPolarHBondContact O-CZ 3.08Å; Q763-F1871 HydrophobicContact CB-CD2 3.89Å; Q763-F1871 HydrophobicContact CB-CE2 3.97Å; Q763-F1871 VanDerWaalsContact CD-CD1 3.45Å; Q763-F1871 VanDerWaalsContact CD-CD2 3.48Å; Q763-F1871 HydrophobicContact CG-CD1 4.27Å; Q763-F1871 HydrophobicContact CG-CD2 3.52Å; Q763-F1871 HydrophobicContact CG-CE1 4.17Å; Q763-F1871 HydrophobicContact CG-CE2 3.33Å; Q763-F1871 HydrophobicContact CG-CG 3.9Å; Q763-F1871 HydrophobicContact CG-CZ 3.65Å; Q763-F1871 VanDerWaalsContact OE1-CG 3.29Å; P764-F1871 WeakPolarHBondContact CD-O 3.45Å; N1868-F1871 WeakPolarHBondContact O-CB 3.16Å; N1868-F1871 PolarHBondContact O-N 2.76Å; L1869-F1871 PolarHBondContact O-N 2.69Å |
| 1872 | L | 32.6 | Very low | 31.9 | Very low | 122 Ų | 122 | 92.9 Ų | 92.9 | 64% | 0.639 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -78.7 | -36.8 | -159.3 | -140.2 | 69.6 | 0 | 0 | 0 | 112.8 | R1874 Q1875 L1876 | L1872-R1874 VanDerWaalsContact C-N 3.28Å; L1872-R1874 PolarHBondContact O-N 2.65Å; L1872-Q1875 WeakPolarHBondContact O-CA 3.26Å; L1872-Q1875 WeakPolarHBondContact O-CB 3.24Å; L1872-Q1875 PolarHBondContact O-N 3.08Å; L1872-Q1875 VanDerWaalsContact O-N 3.09Å; L1872-L1876 PolarHBondContact O-N 3.16Å |
| 1873 | N | 32.7 | Very low | 32.5 | Very low | 96 Ų | 96 | 93.2 Ų | 93.2 | 51% | 0.513 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -66.8 | -26.8 | -173.7 | -96.5 | -43.7 | 0 | 0 | 0 | 113.7 | P764 W1877 | P764-N1873 HydrophobicContact CG-CB 4.08Å; N1873-W1877 VanDerWaalsContact O-CB 3.25Å; N1873-W1877 WeakPolarHBondContact O-CB 3.3Å; N1873-W1877 PolarHBondContact O-N 3.35Å |
| 1874 | R | 34.4 | Very low | 33.1 | Very low | 10 Ų | 10 | 91.9 Ų | 91.9 | 4% | 0.038 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -74.5 | -54.5 | 169.8 | -147.9 | 179.3 | 161.7 | -149.9 | 4.1 | 106.8 | P764 F768 A769 A772 L1872 L1876 W1877 L1878 | P764-R1874 HydrophobicContact CB-CB 4.47Å; P764-R1874 HydrophobicContact CG-CB 3.64Å; F768-R1874 VanDerWaalsContact O-CZ 3.23Å; F768-R1874 PolarHBondContact O-NH1 3.23Å; F768-R1874 PolarHBondContact O-NH2 2.87Å; A769-R1874 PolarHBondContact O-NE 2.8Å; A769-R1874 PolarHBondContact O-NH2 2.78Å; A772-R1874 VanDerWaalsContact C-NH2 3.27Å; A772-R1874 VanDerWaalsContact CB-NH2 3.33Å; A772-R1874 PolarHBondContact O-NH2 3.43Å; L1872-R1874 VanDerWaalsContact C-N 3.28Å; L1872-R1874 PolarHBondContact O-N 2.65Å; R1874-L1876 CarbonylContact O-C 3.53Å; R1874-L1876 PolarHBondContact O-N 2.94Å; R1874-W1877 HydrophobicContact CG-CE3 3.71Å; R1874-W1877 HydrophobicContact CG-CZ3 4.13Å; R1874-W1877 CarbonylContact O-C 3.56Å; R1874-W1877 VanDerWaalsContact O-CA 3.24Å; R1874-W1877 WeakPolarHBondContact O-CA 3.33Å; R1874-W1877 WeakPolarHBondContact O-CB 3.3Å; R1874-W1877 PolarHBondContact O-N 2.71Å; R1874-L1878 VanDerWaalsContact C-CG 3.48Å; R1874-L1878 HydrophobicContact CB-CD1 3.91Å; R1874-L1878 HydrophobicContact CB-CG 4.29Å; R1874-L1878 HydrophobicContact CG-CD1 3.58Å; R1874-L1878 HydrophobicContact CG-CD2 4.07Å; R1874-L1878 HydrophobicContact CG-CG 3.79Å; R1874-L1878 VanDerWaalsContact O-CB 3.23Å; R1874-L1878 WeakPolarHBondContact O-CB 3.46Å; R1874-L1878 WeakPolarHBondContact O-CG 3.38Å; R1874-L1878 PolarHBondContact O-N 3.2Å |
| 1875 | Q | 32.7 | Very low | 33.7 | Very low | 47 Ų | 47 | 84.6 Ų | 84.6 | 22% | 0.22 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -44 | -35.8 | 175.9 | -73.8 | -125.4 | 24.4 | 0 | 0 | 115.1 | L1872 L1878 R1879 | L1872-Q1875 WeakPolarHBondContact O-CA 3.26Å; L1872-Q1875 WeakPolarHBondContact O-CB 3.24Å; L1872-Q1875 PolarHBondContact O-N 3.08Å; L1872-Q1875 VanDerWaalsContact O-N 3.09Å; Q1875-L1878 CarbonylContact O-C 3.59Å; Q1875-L1878 WeakPolarHBondContact O-CA 3.31Å; Q1875-L1878 PolarHBondContact O-N 3.1Å; Q1875-R1879 PolarHBondContact O-N 3.38Å |
| 1876 | L | 33.9 | Very low | 34.5 | Very low | 46 Ų | 46 | 88.6 Ų | 88.6 | 24% | 0.241 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -75.7 | -47.5 | 171.4 | -67.6 | 168.7 | 0 | 0 | 0 | 114.2 | L1872 R1874 L1878 R1879 R1880 | L1872-L1876 PolarHBondContact O-N 3.16Å; R1874-L1876 CarbonylContact O-C 3.53Å; R1874-L1876 PolarHBondContact O-N 2.94Å; L1876-L1878 PolarHBondContact O-N 3.33Å; L1876-R1879 PolarHBondContact O-N 3.05Å; L1876-R1879 VanDerWaalsContact O-N 3.09Å; L1876-R1880 WeakPolarHBondContact O-CD 3.35Å; L1876-R1880 WeakPolarHBondContact O-CG 3.22Å |
| 1877 | W | 32.9 | Very low | 35.1 | Very low | 114 Ų | 114 | 82.2 Ų | 82.2 | 43% | 0.432 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -60 | -0.9 | 162.3 | -172.4 | 83.4 | 0 | 0 | 0 | 113 | I774 F775 N1873 R1874 | I774-W1877 HydrophobicContact CB-CH2 4.22Å; I774-W1877 HydrophobicContact CB-CZ3 4.22Å; I774-W1877 HydrophobicContact CD1-CH2 3.86Å; I774-W1877 HydrophobicContact CD1-CZ2 3.63Å; I774-W1877 HydrophobicContact CG1-CH2 3.64Å; I774-W1877 HydrophobicContact CG1-CZ2 3.95Å; I774-W1877 HydrophobicContact CG1-CZ3 4.12Å; I774-W1877 HydrophobicContact CG2-CD2 3.64Å; I774-W1877 HydrophobicContact CG2-CE3 3.61Å; I774-W1877 HydrophobicContact CG2-CG 4.4Å; I774-W1877 HydrophobicContact CG2-CH2 3.82Å; I774-W1877 HydrophobicContact CG2-CZ2 3.82Å; I774-W1877 HydrophobicContact CG2-CZ3 3.7Å; I774-W1877 WeakPolarHBondContact CG2-O 3.48Å; F775-W1877 WeakPolarHBondContact CE1-O 3.19Å; F775-W1877 WeakPolarHBondContact CZ-O 3.33Å; N1873-W1877 VanDerWaalsContact O-CB 3.25Å; N1873-W1877 WeakPolarHBondContact O-CB 3.3Å; N1873-W1877 PolarHBondContact O-N 3.35Å; R1874-W1877 HydrophobicContact CG-CE3 3.71Å; R1874-W1877 HydrophobicContact CG-CZ3 4.13Å; R1874-W1877 CarbonylContact O-C 3.56Å; R1874-W1877 VanDerWaalsContact O-CA 3.24Å; R1874-W1877 WeakPolarHBondContact O-CA 3.33Å; R1874-W1877 WeakPolarHBondContact O-CB 3.3Å; R1874-W1877 PolarHBondContact O-N 2.71Å |
| 1878 | L | 34.8 | Very low | 35.6 | Very low | 6 Ų | 6 | 82.6 Ų | 82.6 | 3% | 0.031 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -123.5 | 17.8 | 177.9 | -55.1 | 169.2 | 0 | 0 | 0 | 112.5 | V762 E773 I774 F775 T776 R1874 Q1875 L1876 | V762-L1878 HydrophobicContact CG1-CD1 3.33Å; E773-L1878 WeakPolarHBondContact O-CD2 3.49Å; I774-L1878 HydrophobicContact CG2-CD2 4.38Å; F775-L1878 WeakPolarHBondContact CA-O 3.32Å; F775-L1878 VanDerWaalsContact CD1-O 3.27Å; F775-L1878 WeakPolarHBondContact CD1-O 3.35Å; T776-L1878 VanDerWaalsContact O-CD1 3.28Å; T776-L1878 WeakPolarHBondContact O-CD1 3.37Å; R1874-L1878 VanDerWaalsContact C-CG 3.48Å; R1874-L1878 HydrophobicContact CB-CD1 3.91Å; R1874-L1878 HydrophobicContact CB-CG 4.29Å; R1874-L1878 HydrophobicContact CG-CD1 3.58Å; R1874-L1878 HydrophobicContact CG-CD2 4.07Å; R1874-L1878 HydrophobicContact CG-CG 3.79Å; R1874-L1878 VanDerWaalsContact O-CB 3.23Å; R1874-L1878 WeakPolarHBondContact O-CB 3.46Å; R1874-L1878 WeakPolarHBondContact O-CG 3.38Å; R1874-L1878 PolarHBondContact O-N 3.2Å; Q1875-L1878 CarbonylContact O-C 3.59Å; Q1875-L1878 WeakPolarHBondContact O-CA 3.31Å; Q1875-L1878 PolarHBondContact O-N 3.1Å; L1876-L1878 PolarHBondContact O-N 3.33Å |
| 1879 | R | 36.1 | Very low | 36.3 | Very low | 186 Ų | 186 | 81.8 Ų | 81.8 | 70% | 0.702 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.9 | -31.4 | 160.8 | -75 | -179.9 | 173.8 | -174 | -2.3 | 115.6 | F775 Q1875 L1876 | F775-R1879 VanDerWaalsContact CD1-C 3.43Å; F775-R1879 VanDerWaalsContact CD1-N 3.26Å; F775-R1879 VanDerWaalsContact CE1-C 3.49Å; F775-R1879 VanDerWaalsContact CE1-N 3.31Å; Q1875-R1879 PolarHBondContact O-N 3.38Å; L1876-R1879 PolarHBondContact O-N 3.05Å; L1876-R1879 VanDerWaalsContact O-N 3.09Å |
| 1880 | R | 34.3 | Very low | 36.9 | Very low | 54 Ų | 54 | 78.7 Ų | 78.7 | 20% | 0.204 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -59.6 | -76.6 | -177 | -58.3 | 161 | 87.6 | 150.5 | 14.3 | 115.9 | F775 K1485 F1823 E1824 L1876 A1882 R1883 | F775-R1880 HydrophobicContact CE1-CB 4.13Å; F775-R1880 HydrophobicContact CZ-CB 4.48Å; K1485-R1880 VanDerWaalsContact NZ-NH2 3.11Å; F1823-R1880 HydrophobicContact CB-CG 4.38Å; F1823-R1880 VanDerWaalsContact CE2-CZ 3.48Å; F1823-R1880 WeakPolarHBondContact O-CG 3.33Å; F1823-R1880 PolarHBondContact O-NE 3.18Å; E1824-R1880 PolarHBondContact O-NH2 3.22Å; L1876-R1880 WeakPolarHBondContact O-CD 3.35Å; L1876-R1880 WeakPolarHBondContact O-CG 3.22Å; R1880-A1882 PolarHBondContact O-N 2.97Å; R1880-R1883 WeakPolarHBondContact O-CB 3.42Å; R1880-R1883 PolarHBondContact O-N 3.19Å |
| 1881 | N | 36.1 | Very low | 37.5 | Very low | 40 Ų | 40 | 78.2 Ų | 78.2 | 21% | 0.214 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -67.4 | -3.9 | -177.2 | -15.4 | -4.6 | 0 | 0 | 0 | 114.5 | L695 F775 R1883 Q1884 R1885 | L695-N1881 HydrophobicContact CD1-CB 4.12Å; L695-N1881 WeakPolarHBondContact CD1-O 3.32Å; L695-N1881 HydrophobicContact CD2-CB 3.64Å; F775-N1881 HydrophobicContact CD2-CB 4Å; F775-N1881 HydrophobicContact CE1-CB 4.28Å; F775-N1881 VanDerWaalsContact CE2-CA 3.46Å; F775-N1881 HydrophobicContact CE2-CB 3.13Å; F775-N1881 VanDerWaalsContact CZ-CA 3.42Å; F775-N1881 HydrophobicContact CZ-CB 3.39Å; F775-N1881 WeakPolarHBondContact CZ-OD1 3.44Å; N1881-R1883 PolarHBondContact O-N 3.02Å; N1881-Q1884 HydrophobicContact CB-CB 3.96Å; N1881-Q1884 HydrophobicContact CB-CG 4.13Å; N1881-Q1884 CarbonylContact O-C 3.6Å; N1881-Q1884 PolarHBondContact O-N 3.11Å; N1881-Q1884 VanDerWaalsContact O-N 3.11Å; N1881-R1885 WeakPolarHBondContact O-CB 3.35Å; N1881-R1885 PolarHBondContact O-N 3.34Å |
| 1882 | A | 39.8 | Very low | 37.8 | Very low | 34 Ų | 34 | 80.1 Ų | 80.1 | 28% | 0.281 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -59.3 | -37.6 | 162.2 | 0 | 0 | 0 | 0 | 0 | 111 | F775 R1880 R1885 R1886 | F775-A1882 HydrophobicContact CB-CB 3.82Å; F775-A1882 HydrophobicContact CD1-CB 3.69Å; F775-A1882 HydrophobicContact CG-CB 3.66Å; R1880-A1882 PolarHBondContact O-N 2.97Å; A1882-R1885 PolarHBondContact O-N 3.23Å; A1882-R1886 WeakPolarHBondContact O-CG 3.19Å; A1882-R1886 PolarHBondContact O-N 2.85Å; A1882-R1886 VanDerWaalsContact O-N 3.13Å |
| 1883 | R | 38.3 | Very low | 38.3 | Very low | 142 Ų | 142 | 79.5 Ų | 79.5 | 54% | 0.536 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63.5 | -45.1 | 170.2 | -130.8 | 171.6 | -175.8 | -168.8 | -5.6 | 110.4 | E1491 R1880 N1881 R1885 R1886 Y1887 | E1491-R1883 IonicContact OE1-NH1 3.19Å; E1491-R1883 PolarHBondContact OE1-NH1 3.43Å; E1491-R1883 IonicContact OE2-CZ 2.72Å; E1491-R1883 IonicContact OE2-NH1 2.78Å; E1491-R1883 PolarHBondContact OE2-NH1 3.33Å; R1880-R1883 WeakPolarHBondContact O-CB 3.42Å; R1880-R1883 PolarHBondContact O-N 3.19Å; N1881-R1883 PolarHBondContact O-N 3.02Å; R1883-R1885 PolarHBondContact O-N 3.09Å; R1883-R1886 CarbonylContact O-C 3.6Å; R1883-R1886 WeakPolarHBondContact O-CA 3.43Å; R1883-R1886 WeakPolarHBondContact O-CB 3.27Å; R1883-R1886 PolarHBondContact O-N 2.93Å; R1883-R1886 VanDerWaalsContact O-N 3.11Å; R1883-Y1887 PolarHBondContact O-N 2.85Å |
| 1884 | Q | 38 | Very low | 38.5 | Very low | 63 Ų | 63 | 77.2 Ų | 77.2 | 29% | 0.294 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -69.9 | -25.7 | 177.4 | -51.5 | -167.2 | -61.8 | 0 | 0 | 114.6 | S1762 N1881 Y1887 Y1888 | S1762-Q1884 WeakPolarHBondContact OG-CG 3.31Å; S1762-Q1884 PolarHBondContact OG-NE2 2.54Å; N1881-Q1884 HydrophobicContact CB-CB 3.96Å; N1881-Q1884 HydrophobicContact CB-CG 4.13Å; N1881-Q1884 CarbonylContact O-C 3.6Å; N1881-Q1884 PolarHBondContact O-N 3.11Å; N1881-Q1884 VanDerWaalsContact O-N 3.11Å; Q1884-Y1887 WeakPolarHBondContact O-CB 3.33Å; Q1884-Y1887 PolarHBondContact O-N 3.08Å; Q1884-Y1888 PolarHBondContact O-N 3.4Å |
| 1885 | R | 41.3 | Very low | 38.8 | Very low | 33 Ų | 33 | 83.9 Ų | 83.9 | 13% | 0.125 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -68.8 | -39.7 | 168.9 | -173.3 | 178.3 | -94.4 | 171.9 | -3.2 | 110.4 | Q694 L695 E773 N1881 A1882 R1883 Y1887 Y1888 L1889 | Q694-R1885 PolarHBondContact O-NE 3.03Å; Q694-R1885 PolarHBondContact O-NH2 3.08Å; Q694-R1885 VanDerWaalsContact OE1-CD 3.29Å; Q694-R1885 VanDerWaalsContact OE1-NE 3.13Å; L695-R1885 HydrophobicContact CD1-CB 3.94Å; L695-R1885 HydrophobicContact CD2-CB 4.12Å; L695-R1885 HydrophobicContact CG-CB 3.77Å; L695-R1885 HydrophobicContact CG-CG 4.17Å; E773-R1885 IonicContact OE1-CZ 3.7Å; E773-R1885 IonicContact OE1-NH1 3.85Å; E773-R1885 IonicContact OE1-NH2 2.76Å; E773-R1885 PolarHBondContact OE1-NH2 2.58Å; E773-R1885 IonicContact OE2-CZ 3.93Å; E773-R1885 IonicContact OE2-NH1 3.05Å; E773-R1885 PolarHBondContact OE2-NH1 2.96Å; E773-R1885 IonicContact OE2-NH2 3.3Å; E773-R1885 PolarHBondContact OE2-NH2 3.42Å; N1881-R1885 WeakPolarHBondContact O-CB 3.35Å; N1881-R1885 PolarHBondContact O-N 3.34Å; A1882-R1885 PolarHBondContact O-N 3.23Å; R1883-R1885 PolarHBondContact O-N 3.09Å; R1885-Y1887 VanDerWaalsContact C-N 3.29Å; R1885-Y1888 PolarHBondContact O-N 3.5Å; R1885-L1889 HydrophobicContact CG-CD1 4.01Å; R1885-L1889 WeakPolarHBondContact O-CB 3.15Å; R1885-L1889 WeakPolarHBondContact O-CG 3.04Å; R1885-L1889 PolarHBondContact O-N 3.12Å; R1885-L1889 VanDerWaalsContact O-N 3.08Å |
| 1886 | R | 46.1 | Very low | 39 | Very low | 182 Ų | 182 | 91.5 Ų | 91.5 | 69% | 0.687 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -69.3 | -23.5 | 172.1 | -70.4 | 177.9 | 176.7 | -179.9 | -0.8 | 112.5 | A1882 R1883 R1890 | A1882-R1886 WeakPolarHBondContact O-CG 3.19Å; A1882-R1886 PolarHBondContact O-N 2.85Å; A1882-R1886 VanDerWaalsContact O-N 3.13Å; R1883-R1886 CarbonylContact O-C 3.6Å; R1883-R1886 WeakPolarHBondContact O-CA 3.43Å; R1883-R1886 WeakPolarHBondContact O-CB 3.27Å; R1883-R1886 PolarHBondContact O-N 2.93Å; R1883-R1886 VanDerWaalsContact O-N 3.11Å; R1886-R1890 WeakPolarHBondContact O-CB 3.2Å; R1886-R1890 VanDerWaalsContact O-CG 3.23Å; R1886-R1890 WeakPolarHBondContact O-CG 3.47Å; R1886-R1890 PolarHBondContact O-N 3.2Å |
| 1887 | Y | 39.3 | Very low | 39.3 | Very low | 46 Ų | 46 | 92 Ų | 92 | 18% | 0.18 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -66.7 | -63.9 | 161.6 | 163.9 | -88.1 | 0 | 0 | 0 | 111.9 | E1763 R1883 Q1884 R1885 L1889 R1890 Q1891 | E1763-Y1887 HydrophobicContact CG-CD2 3.85Å; E1763-Y1887 HydrophobicContact CG-CE2 4.23Å; E1763-Y1887 VanDerWaalsContact OE2-CA 3.31Å; E1763-Y1887 WeakPolarHBondContact OE2-CA 3.28Å; E1763-Y1887 WeakPolarHBondContact OE2-CB 3.45Å; E1763-Y1887 WeakPolarHBondContact OE2-CD2 3.36Å; R1883-Y1887 PolarHBondContact O-N 2.85Å; Q1884-Y1887 WeakPolarHBondContact O-CB 3.33Å; Q1884-Y1887 PolarHBondContact O-N 3.08Å; R1885-Y1887 VanDerWaalsContact C-N 3.29Å; Y1887-L1889 VanDerWaalsContact C-N 3.25Å; Y1887-L1889 PolarHBondContact O-N 2.75Å; Y1887-L1889 VanDerWaalsContact O-N 3.14Å; Y1887-R1890 PolarHBondContact O-N 2.65Å; Y1887-Q1891 HydrophobicContact CD2-CG 4.06Å; Y1887-Q1891 HydrophobicContact CE2-CG 3.86Å; Y1887-Q1891 PolarHBondContact O-N 3.4Å |
| 1888 | Y | 39.1 | Very low | 39.5 | Very low | 130 Ų | 130 | 93.1 Ų | 93.1 | 51% | 0.51 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -63.8 | -33.1 | -167.1 | -111.9 | -69.9 | 0 | 0 | 0 | 112.7 | Q1884 R1885 L1892 | Q1884-Y1888 PolarHBondContact O-N 3.4Å; R1885-Y1888 PolarHBondContact O-N 3.5Å; Y1888-L1892 HydrophobicContact CD1-CD1 4.31Å; Y1888-L1892 VanDerWaalsContact O-CB 3.29Å; Y1888-L1892 WeakPolarHBondContact O-CB 3.17Å; Y1888-L1892 WeakPolarHBondContact O-CD1 3.45Å; Y1888-L1892 WeakPolarHBondContact O-CG 3.15Å; Y1888-L1892 PolarHBondContact O-N 2.75Å; Y1888-L1892 VanDerWaalsContact O-N 3.11Å |
| 1889 | L | 46.3 | Very low | 39.5 | Very low | 96 Ų | 96 | 95.2 Ų | 95.2 | 50% | 0.503 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -70 | -46.9 | 171.1 | -67 | 172.7 | 0 | 0 | 0 | 112.3 | R1885 Y1887 Q1891 Q1893 | R1885-L1889 HydrophobicContact CG-CD1 4.01Å; R1885-L1889 WeakPolarHBondContact O-CB 3.15Å; R1885-L1889 WeakPolarHBondContact O-CG 3.04Å; R1885-L1889 PolarHBondContact O-N 3.12Å; R1885-L1889 VanDerWaalsContact O-N 3.08Å; Y1887-L1889 VanDerWaalsContact C-N 3.25Å; Y1887-L1889 PolarHBondContact O-N 2.75Å; Y1887-L1889 VanDerWaalsContact O-N 3.14Å; L1889-Q1891 PolarHBondContact O-N 2.95Å; L1889-Q1893 WeakPolarHBondContact O-CB 3.25Å; L1889-Q1893 PolarHBondContact O-N 3.21Å |
| 1890 | R | 43.2 | Very low | 39.2 | Very low | 98 Ų | 98 | 93.9 Ų | 93.9 | 37% | 0.37 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -69.2 | -29.9 | -179.9 | -72.4 | -150.7 | -169.5 | 169.3 | -9.3 | 113.4 | S1764 R1765 R1886 Y1887 Q1893 M1894 | S1764-R1890 PolarHBondContact O-NH1 2.99Å; S1764-R1890 WeakPolarHBondContact OG-CD 3.23Å; R1765-R1890 HydrophobicContact CG-CB 4.38Å; R1886-R1890 WeakPolarHBondContact O-CB 3.2Å; R1886-R1890 VanDerWaalsContact O-CG 3.23Å; R1886-R1890 WeakPolarHBondContact O-CG 3.47Å; R1886-R1890 PolarHBondContact O-N 3.2Å; Y1887-R1890 PolarHBondContact O-N 2.65Å; R1890-Q1893 CarbonylContact O-C 3.56Å; R1890-M1894 WeakPolarHBondContact O-CB 3.32Å; R1890-M1894 VanDerWaalsContact O-CG 3.3Å; R1890-M1894 WeakPolarHBondContact O-CG 3.24Å; R1890-M1894 PolarHBondContact O-N 2.91Å |
| 1891 | Q | 43.2 | Very low | 39 | Very low | 45 Ų | 45 | 96.1 Ų | 96.1 | 21% | 0.21 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -72.7 | -48.3 | 173 | -83.1 | -75.6 | -13.7 | 0 | 0 | 112.3 | E1763 Y1887 L1889 Q1893 M1894 H1895 | E1763-Q1891 PolarHBondContact OE1-NE2 2.9Å; Y1887-Q1891 HydrophobicContact CD2-CG 4.06Å; Y1887-Q1891 HydrophobicContact CE2-CG 3.86Å; Y1887-Q1891 PolarHBondContact O-N 3.4Å; L1889-Q1891 PolarHBondContact O-N 2.95Å; Q1891-Q1893 PolarHBondContact O-N 2.95Å; Q1891-M1894 HydrophobicContact CG-CE 4.34Å; Q1891-M1894 PolarHBondContact O-N 3.12Å; Q1891-H1895 PolarHBondContact O-N 2.84Å |
| 1892 | L | 38.6 | Very low | 38.8 | Very low | 92 Ų | 92 | 99.5 Ų | 99.5 | 48% | 0.482 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.4 | -32.1 | 171.7 | -84.3 | 162.3 | 0 | 0 | 0 | 112.1 | Y1888 R1896 | Y1888-L1892 HydrophobicContact CD1-CD1 4.31Å; Y1888-L1892 VanDerWaalsContact O-CB 3.29Å; Y1888-L1892 WeakPolarHBondContact O-CB 3.17Å; Y1888-L1892 WeakPolarHBondContact O-CD1 3.45Å; Y1888-L1892 WeakPolarHBondContact O-CG 3.15Å; Y1888-L1892 PolarHBondContact O-N 2.75Å; Y1888-L1892 VanDerWaalsContact O-N 3.11Å; L1892-R1896 VanDerWaalsContact O-CB 3.25Å; L1892-R1896 WeakPolarHBondContact O-CB 3.31Å; L1892-R1896 WeakPolarHBondContact O-CG 3.18Å; L1892-R1896 PolarHBondContact O-N 3.02Å |
| 1893 | Q | 42.9 | Very low | 38.2 | Very low | 109 Ų | 109 | 105 Ų | 105 | 51% | 0.509 | 52% | 0.518 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | 0.9 | 177.5 | -154 | -171.5 | 55.4 | 0 | 0 | 113 | R1765 L1889 R1890 Q1891 S1897 | R1765-Q1893 VanDerWaalsContact NH2-C 3.34Å; R1765-Q1893 VanDerWaalsContact NH2-CG 3.3Å; R1765-Q1893 PolarHBondContact NH2-O 3.06Å; L1889-Q1893 WeakPolarHBondContact O-CB 3.25Å; L1889-Q1893 PolarHBondContact O-N 3.21Å; R1890-Q1893 CarbonylContact O-C 3.56Å; Q1891-Q1893 PolarHBondContact O-N 2.95Å; Q1893-S1897 WeakPolarHBondContact O-CB 3.42Å; Q1893-S1897 PolarHBondContact O-OG 3.28Å |
| 1894 | M | 37.6 | Very low | 37.8 | Very low | 48 Ų | 48 | 103.1 Ų | 103.1 | 24% | 0.236 | 52% | 0.524 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | -42.9 | 164.4 | -85 | -169.7 | -64.3 | 0 | 0 | 110.3 | E1763 R1765 R1890 Q1891 R1896 S1897 V1898 | E1763-M1894 WeakPolarHBondContact OE1-CE 3.31Å; R1765-M1894 HydrophobicContact CB-SD 4.49Å; R1765-M1894 HydrophobicContact CG-CE 4.06Å; R1765-M1894 HydrophobicContact CG-CG 3.73Å; R1765-M1894 HydrophobicContact CG-SD 3.45Å; R1765-M1894 WeakPolarHBondContact CG-SD 3.44Å; R1890-M1894 WeakPolarHBondContact O-CB 3.32Å; R1890-M1894 VanDerWaalsContact O-CG 3.3Å; R1890-M1894 WeakPolarHBondContact O-CG 3.24Å; R1890-M1894 PolarHBondContact O-N 2.91Å; Q1891-M1894 HydrophobicContact CG-CE 4.34Å; Q1891-M1894 PolarHBondContact O-N 3.12Å; M1894-R1896 PolarHBondContact O-N 3.28Å; M1894-S1897 CarbonylContact O-C 3.49Å; M1894-S1897 PolarHBondContact O-N 2.8Å; M1894-V1898 WeakPolarHBondContact O-CG2 3.47Å; M1894-V1898 PolarHBondContact O-N 3.39Å |
| 1895 | H | 40 | Very low | 37.4 | Very low | 151 Ų | 151 | 107.4 Ų | 107.4 | 70% | 0.699 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -15.7 | 168.1 | -77.4 | -79.2 | 0 | 0 | 0 | 113.1 | Q1891 | Q1891-H1895 PolarHBondContact O-N 2.84Š|
| 1896 | R | 36.5 | Very low | 36.8 | Very low | 207 Ų | 207 | 112.2 Ų | 112.2 | 78% | 0.781 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.9 | 25.4 | 163.6 | -65.3 | -179.7 | 168.1 | -170.2 | -4.7 | 113.9 | L1892 M1894 | L1892-R1896 VanDerWaalsContact O-CB 3.25Å; L1892-R1896 WeakPolarHBondContact O-CB 3.31Å; L1892-R1896 WeakPolarHBondContact O-CG 3.18Å; L1892-R1896 PolarHBondContact O-N 3.02Å; M1894-R1896 PolarHBondContact O-N 3.28Å |
| 1897 | S | 40.4 | Very low | 35.9 | Very low | 56 Ų | 56 | 108.1 Ų | 108.1 | 39% | 0.392 | 57% | 0.572 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -142.4 | 14.6 | 166.3 | 84.6 | 0 | 0 | 0 | 0 | 113.5 | Q1893 M1894 A1899 | Q1893-S1897 WeakPolarHBondContact O-CB 3.42Å; Q1893-S1897 PolarHBondContact O-OG 3.28Å; M1894-S1897 CarbonylContact O-C 3.49Å; M1894-S1897 PolarHBondContact O-N 2.8Å; S1897-A1899 CarbonylContact C-O 3.53Å; S1897-A1899 WeakPolarHBondContact CA-O 3.25Å |
| 1898 | V | 38.9 | Very low | 35.3 | Very low | 138 Ų | 138 | 108.9 Ų | 108.9 | 84% | 0.836 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -104.6 | -8.9 | 160.6 | 175.5 | 0 | 0 | 0 | 0 | 109.9 | M1894 | M1894-V1898 WeakPolarHBondContact O-CG2 3.47Å; M1894-V1898 PolarHBondContact O-N 3.39Å |
| 1899 | A | 33.9 | Very low | 34.8 | Very low | 49 Ų | 49 | 111.6 Ų | 111.6 | 41% | 0.405 | 61% | 0.612 | S | S | . | * | S | Bend | trans | -102.3 | 151.8 | 148.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | S1897 | S1897-A1899 CarbonylContact C-O 3.53Å; S1897-A1899 WeakPolarHBondContact CA-O 3.25Å |
| 1900 | D | 29.9 | Very low | 34.1 | Very low | 159 Ų | 159 | 114.8 Ų | 114.8 | 85% | 0.85 | 63% | 0.629 | S | S | * | * | S | Bend | trans | 68 | 53.8 | 165.9 | -51 | -24.9 | 0 | 0 | 0 | 118.5 | ||
| 1901 | S | 30.1 | Very low | 33.5 | Very low | 101 Ų | 101 | 114.1 Ų | 114.1 | 71% | 0.706 | 65% | 0.645 | S | S | * | * | trans | 176.5 | 134 | 136.5 | 34.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1902 | S | 32 | Very low | 32.9 | Very low | 110 Ų | 110 | 119.8 Ų | 119.8 | 77% | 0.769 | 67% | 0.673 | S | S | * | * | S | Bend | cis | -103.5 | 147.6 | 3 | 34 | 0 | 0 | 0 | 0 | 110.8 | ||
| 1903 | L | 27.3 | Very low | 32.5 | Very low | 151 Ų | 151 | 121.8 Ų | 121.8 | 79% | 0.791 | 69% | 0.685 | S | S | * | * | cis | 69.4 | 134.8 | 48.8 | -65.7 | 167.5 | 0 | 0 | 0 | 113.7 | ||||
| 1904 | P | 30.3 | Very low | 32 | Very low | 102 Ų | 102 | 124.5 Ų | 124.5 | 66% | 0.662 | 70% | 0.697 | S | S | * | * | cis | -135 | -159.1 | -20.5 | 33.3 | -10.3 | 0 | 0 | 0 | 112.4 | ||||
| 1905 | E | 28 | Very low | 31.7 | Very low | 153 Ų | 153 | 127.3 Ų | 127.3 | 72% | 0.715 | 72% | 0.717 | S | S | * | * | trans | 76.8 | 139.7 | 160 | -69.4 | -164.5 | 84.7 | 0 | 0 | 121.3 | ||||
| 1906 | Q | 30 | Very low | 31.3 | Very low | 134 Ų | 134 | 125.3 Ų | 125.3 | 63% | 0.626 | 72% | 0.72 | S | S | * | * | trans | 55.1 | 109.2 | 153.5 | -60.8 | 168.2 | 41.4 | 0 | 0 | 117.2 | ||||
| 1907 | A | 26.5 | Very low | 30.9 | Very low | 95 Ų | 95 | 119.1 Ų | 119.1 | 79% | 0.785 | 71% | 0.709 | S | S | * | * | 68.2 | 139.3 | 57.5 | 0 | 0 | 0 | 0 | 0 | 114 | |||||
| 1908 | G | 27.5 | Very low | 30.4 | Very low | 62 Ų | 62 | 127.7 Ų | 127.7 | 64% | 0.639 | 73% | 0.732 | S | S | * | * | trans | 87.2 | 121.7 | -162.3 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 1909 | E | 28.5 | Very low | 30 | Very low | 188 Ų | 188 | 125.3 Ų | 125.3 | 88% | 0.879 | 73% | 0.728 | S | S | * | * | cis | 67.2 | 103 | 42.3 | -52.2 | -179.8 | 119.2 | 0 | 0 | 113.4 | ||||
| 1910 | D | 31.8 | Very low | 29.7 | Very low | 162 Ų | 162 | 130.8 Ų | 130.8 | 87% | 0.866 | 75% | 0.745 | S | S | * | * | trans | -154.4 | 102.3 | 132.5 | -87.8 | -43.2 | 0 | 0 | 0 | 103.8 | ||||
| 1911 | A | 29.7 | Very low | 29.8 | Very low | 85 Ų | 85 | 128.8 Ų | 128.8 | 70% | 0.702 | 74% | 0.74 | S | S | * | * | 71.6 | 142 | 78.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 1912 | M | 30.1 | Very low | 29.6 | Very low | 163 Ų | 163 | 129 Ų | 129 | 80% | 0.803 | 73% | 0.733 | S | S | * | * | cis | -136.6 | 159.9 | 13.8 | -23 | -175.5 | 69.8 | 0 | 0 | 107.1 | ||||
| 1913 | D | 31.7 | Very low | 29.4 | Very low | 135 Ų | 135 | 134.6 Ų | 134.6 | 72% | 0.722 | 74% | 0.737 | S | S | * | * | S | Bend | cis | -148.7 | 172.4 | 23.3 | -77.6 | -53.5 | 0 | 0 | 0 | 109.1 | ||
| 1914 | E | 32.3 | Very low | 29.6 | Very low | 166 Ų | 166 | 131.8 Ų | 131.8 | 78% | 0.776 | 73% | 0.73 | S | S | * | * | cis | -144.8 | 120.4 | 5.7 | -140.4 | -178.8 | -172.3 | 0 | 0 | 110.7 | ||||
| 1915 | T | 30.7 | Very low | 29.7 | Very low | 107 Ų | 107 | 132.9 Ų | 132.9 | 66% | 0.656 | 73% | 0.73 | S | S | * | * | trans | 36 | 120.7 | 142 | 66.3 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 1916 | S | 31.2 | Very low | 29.9 | Very low | 108 Ų | 108 | 133.3 Ų | 133.3 | 76% | 0.755 | 73% | 0.733 | S | S | * | * | 75.5 | 171.2 | 125.3 | 96.8 | 0 | 0 | 0 | 0 | 118.3 | |||||
| 1917 | S | 29 | Very low | 30.2 | Very low | 78 Ų | 78 | 131.7 Ų | 131.7 | 55% | 0.545 | 74% | 0.736 | S | S | . | * | cis | -168.5 | 171 | -23.6 | 38.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1918 | W | 29.8 | Very low | 30.5 | Very low | 235 Ų | 235 | 133.8 Ų | 133.8 | 89% | 0.89 | 73% | 0.734 | S | S | * | * | trans | 69.2 | 111.5 | 174.2 | -45.6 | 94.8 | 0 | 0 | 0 | 114.2 | ||||
| 1919 | A | 30.8 | Very low | 31 | Very low | 89 Ų | 89 | 135.7 Ų | 135.7 | 74% | 0.736 | 74% | 0.735 | S | S | * | * | 84.9 | 154.8 | 57.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 1920 | E | 25.9 | Very low | 31.3 | Very low | 163 Ų | 163 | 133.6 Ų | 133.6 | 76% | 0.762 | 73% | 0.73 | S | S | * | * | trans | -56.5 | 159.4 | -171.5 | -45.2 | -177.4 | 121.5 | 0 | 0 | 113.6 | ||||
| 1921 | P | 31.7 | Very low | 31.4 | Very low | 117 Ų | 117 | 129 Ų | 129 | 76% | 0.76 | 72% | 0.721 | S | S | * | * | -131.5 | 123 | 87.5 | 10.6 | 11 | 0 | 0 | 0 | 115.8 | |||||
| 1922 | L | 27.6 | Very low | 31.5 | Very low | 107 Ų | 107 | 133.3 Ų | 133.3 | 56% | 0.56 | 73% | 0.726 | S | S | * | * | 56.9 | 117.9 | 117.2 | -60.9 | 169.3 | 0 | 0 | 0 | 120.6 | |||||
| 1923 | R | 27.4 | Very low | 31.4 | Very low | 227 Ų | 227 | 131.3 Ų | 131.3 | 86% | 0.857 | 72% | 0.715 | S | S | * | * | trans | 71.7 | 157.3 | 134.6 | -59.7 | 176.1 | -179.1 | -169.1 | 1.3 | 116.2 | ||||
| 1924 | S | 31.4 | Very low | 31.4 | Very low | 91 Ų | 91 | 131.6 Ų | 131.6 | 64% | 0.636 | 71% | 0.712 | S | S | * | * | cis | -148.4 | 140.5 | 16.2 | 57.8 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1925 | N | 32.1 | Very low | 31.4 | Very low | 125 Ų | 125 | 130.1 Ų | 130.1 | 67% | 0.668 | 71% | 0.71 | S | S | * | * | trans | 64.9 | 159.2 | 138.9 | -61.7 | 5.9 | 0 | 0 | 0 | 118.4 | ||||
| 1926 | Q | 32.4 | Very low | 31.2 | Very low | 163 Ų | 163 | 130 Ų | 130 | 76% | 0.762 | 71% | 0.713 | S | S | * | * | cis | -167.3 | 160.1 | -18.4 | -103.6 | 157.8 | -16.9 | 0 | 0 | 104.1 | ||||
| 1927 | S | 36 | Very low | 31 | Very low | 99 Ų | 99 | 131.9 Ų | 131.9 | 69% | 0.692 | 72% | 0.715 | S | S | * | * | cis | -155.7 | 147.6 | -3.2 | 41.7 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 1928 | N | 33.5 | Very low | 31.2 | Very low | 139 Ų | 139 | 135.2 Ų | 135.2 | 74% | 0.743 | 73% | 0.732 | S | S | * | * | 51.4 | 135.7 | 79.9 | -130.6 | 10.7 | 0 | 0 | 0 | 112.8 | N1930 | N1928-N1930 PolarHBondContact OD1-N 3.25Š| |||
| 1929 | P | 36.8 | Very low | 31.5 | Very low | 103 Ų | 103 | 131 Ų | 131 | 67% | 0.669 | 73% | 0.727 | S | S | * | * | -141.9 | 156.4 | 64.9 | 40 | -23.6 | 0 | 0 | 0 | 117.8 | |||||
| 1930 | N | 36.3 | Very low | 31.9 | Very low | 143 Ų | 143 | 132.7 Ų | 132.7 | 77% | 0.765 | 73% | 0.73 | S | S | * | * | trans | 64.1 | 114 | 152.9 | -52.3 | -10.4 | 0 | 0 | 0 | 118.1 | N1928 | N1928-N1930 PolarHBondContact OD1-N 3.25Š| ||
| 1931 | G | 32.2 | Very low | 32.2 | Very low | 66 Ų | 66 | 128 Ų | 128 | 68% | 0.68 | 73% | 0.725 | S | S | * | * | cis | 108.7 | 155.1 | -6.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1932 | Q | 32 | Very low | 32.3 | Very low | 175 Ų | 175 | 128.2 Ų | 128.2 | 82% | 0.818 | 73% | 0.73 | S | S | * | * | trans | 69.9 | 139.8 | 174.3 | -57.3 | -167.8 | -85 | 0 | 0 | 116.6 | ||||
| 1933 | Q | 29.2 | Very low | 32.5 | Very low | 122 Ų | 122 | 127.3 Ų | 127.3 | 57% | 0.57 | 74% | 0.738 | S | S | * | * | cis | -160.2 | 162.3 | -23.6 | -138.9 | 161.2 | -68.1 | 0 | 0 | 109.4 | ||||
| 1934 | E | 30.6 | Very low | 32.7 | Very low | 140 Ų | 140 | 122.3 Ų | 122.3 | 65% | 0.654 | 73% | 0.728 | S | S | * | * | trans | 54.9 | 122.5 | 153.3 | -82 | 133.2 | -155.4 | 0 | 0 | 121.9 | ||||
| 1935 | D | 32.6 | Very low | 32.6 | Very low | 136 Ų | 136 | 126.7 Ų | 126.7 | 73% | 0.727 | 73% | 0.731 | S | S | * | * | 78.3 | 91.4 | 126.3 | -60 | 3 | 0 | 0 | 0 | 121.6 | |||||
| 1936 | S | 27.4 | Very low | 32.6 | Very low | 104 Ų | 104 | 129.7 Ų | 129.7 | 73% | 0.727 | 73% | 0.734 | S | S | * | * | 72.2 | 139.5 | 128.5 | 62.3 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 1937 | D | 27.3 | Very low | 32.4 | Very low | 148 Ų | 148 | 132.6 Ų | 132.6 | 79% | 0.791 | 74% | 0.738 | S | S | * | * | trans | 51.6 | 104.9 | 168 | -60.6 | -13.2 | 0 | 0 | 0 | 118 | ||||
| 1938 | T | 33.1 | Very low | 32.3 | Very low | 148 Ų | 148 | 133.4 Ų | 133.4 | 91% | 0.908 | 74% | 0.741 | S | S | * | * | -170 | 150 | 106.4 | 19.3 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 1939 | D | 35.3 | Very low | 32.2 | Very low | 147 Ų | 147 | 133.8 Ų | 133.8 | 79% | 0.786 | 74% | 0.743 | S | S | * | * | trans | -73 | -177.4 | 170.6 | -136.9 | -0.4 | 0 | 0 | 0 | 110.4 | ||||
| 1940 | P | 38.7 | Very low | 32 | Very low | 123 Ų | 123 | 133.3 Ų | 133.3 | 80% | 0.799 | 74% | 0.74 | S | S | * | * | cis | -144.1 | 155.6 | 31.6 | 39.9 | -17.9 | 0 | 0 | 0 | 120.1 | ||||
| 1941 | G | 33.2 | Very low | 31.6 | Very low | 64 Ų | 64 | 132 Ų | 132 | 66% | 0.66 | 74% | 0.738 | S | S | * | * | 121.8 | 114.7 | 107.2 | 0 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 1942 | S | 33.1 | Very low | 31.3 | Very low | 122 Ų | 122 | 139.2 Ų | 139.2 | 85% | 0.853 | 75% | 0.746 | S | S | * | * | -165.2 | 117.9 | 123.3 | 67.8 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 1943 | A | 32 | Very low | 31 | Very low | 89 Ų | 89 | 134.8 Ų | 134.8 | 74% | 0.736 | 73% | 0.734 | S | S | * | * | trans | 64.2 | 121.3 | 151.7 | 0 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 1944 | D | 31.3 | Very low | 31 | Very low | 122 Ų | 122 | 134.1 Ų | 134.1 | 65% | 0.652 | 74% | 0.739 | S | S | * | * | trans | 69 | 136.1 | 141.8 | -67.8 | -16.6 | 0 | 0 | 0 | 122.2 | ||||
| 1945 | R | 29.6 | Very low | 30.8 | Very low | 183 Ų | 183 | 135.1 Ų | 135.1 | 69% | 0.691 | 74% | 0.743 | S | S | * | * | cis | -172 | 142.9 | -16.6 | -136.8 | -179.2 | -78.8 | -179.7 | 0.1 | 111.4 | ||||
| 1946 | Y | 31.4 | Very low | 30.6 | Very low | 188 Ų | 188 | 135.4 Ų | 135.4 | 74% | 0.737 | 75% | 0.745 | S | S | * | * | trans | 66.1 | 120.9 | 173.2 | -67.1 | -102.2 | 0 | 0 | 0 | 117.7 | ||||
| 1947 | W | 28.4 | Very low | 30.8 | Very low | 223 Ų | 223 | 140.8 Ų | 140.8 | 85% | 0.845 | 77% | 0.773 | S | S | * | * | 77.3 | 146.9 | 62.6 | -92.7 | -42 | 0 | 0 | 0 | 116 | |||||
| 1948 | P | 33.7 | Very low | 31 | Very low | 116 Ų | 116 | 140.5 Ų | 140.5 | 75% | 0.753 | 77% | 0.772 | S | S | * | * | cis | -129.4 | -172.7 | -40.8 | 39.6 | -22.1 | 0 | 0 | 0 | 113.7 | ||||
| 1949 | D | 31.1 | Very low | 30.9 | Very low | 147 Ų | 147 | 140.1 Ų | 140.1 | 79% | 0.786 | 77% | 0.765 | S | S | * | * | trans | -80.7 | -178 | 166.1 | -147.5 | 42.4 | 0 | 0 | 0 | 110.6 | ||||
| 1950 | P | 33.4 | Very low | 30.7 | Very low | 93 Ų | 93 | 139.7 Ų | 139.7 | 60% | 0.604 | 76% | 0.764 | S | S | * | * | cis | -148.6 | -169.8 | 13.3 | 45.3 | -23.3 | 0 | 0 | 0 | 119.8 | ||||
| 1951 | T | 27.2 | Very low | 30.2 | Very low | 116 Ų | 116 | 140.6 Ų | 140.6 | 71% | 0.712 | 76% | 0.762 | S | S | * | * | trans | 82.1 | 136.6 | 157.3 | 59 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 1952 | Y | 26.6 | Very low | 30 | Very low | 217 Ų | 217 | 145.4 Ų | 145.4 | 85% | 0.851 | 77% | 0.768 | S | S | * | * | trans | 37.9 | 145.1 | 142.1 | -76.3 | -112 | 0 | 0 | 0 | 121.7 | ||||
| 1953 | S | 26.8 | Very low | 29.8 | Very low | 83 Ų | 83 | 147 Ų | 147 | 58% | 0.58 | 76% | 0.762 | S | S | * | * | cis | -173.7 | 161 | -15.6 | 57 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1954 | T | 27.5 | Very low | 29.6 | Very low | 107 Ų | 107 | 151.1 Ų | 151.1 | 66% | 0.656 | 76% | 0.764 | S | S | * | * | trans | 53.3 | 112.6 | 147.4 | 52.3 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 1955 | Q | 27.4 | Very low | 29.5 | Very low | 161 Ų | 161 | 153.4 Ų | 153.4 | 75% | 0.752 | 77% | 0.773 | S | S | * | * | 76.6 | 129.4 | 122 | -70.6 | 178.2 | -25.7 | 0 | 0 | 122.5 | |||||
| 1956 | N | 29.2 | Very low | 29.5 | Very low | 142 Ų | 142 | 150.9 Ų | 150.9 | 76% | 0.759 | 78% | 0.78 | S | S | * | * | trans | 65.5 | 130.3 | 147.4 | -49.3 | -8.9 | 0 | 0 | 0 | 116.8 | ||||
| 1957 | V | 31.5 | Very low | 29.3 | Very low | 218 Ų | 218 | 147.5 Ų | 147.5 | 100% | 1.321 | 78% | 0.784 | S | S | * | * | cis | -106.2 | 0 | 23.4 | -179.3 | 0 | 0 | 0 | 0 | 113.2 |
Retrieved 1,957 of 1,957 residues in 779.2 ms
(Link to these results)