| 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 | 56.6 | Low | 62.6 | Low | 204 Ų | 204 | 124.9 Ų | 124.9 | 100% | 1.005 | 61% | 0.613 | S | S | * | * | 0 | -36.3 | 0 | -81.6 | -168.7 | -84.8 | 0 | 0 | 112.8 | |||||
| 2 | T | 68.1 | Low | 62.2 | Low | 92 Ų | 92 | 121.1 Ų | 121.1 | 56% | 0.564 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -59 | -47 | 178.4 | 45.6 | 0 | 0 | 0 | 0 | 114.3 | L4 L5 W6 | T2-L4 VanDerWaalsContact C-N 3.31Å; T2-L4 PolarHBondContact O-N 3.47Å; T2-L5 WeakPolarHBondContact O-CB 3.37Å; T2-L5 PolarHBondContact O-N 3.12Å; T2-W6 PolarHBondContact O-N 3.39Å; T2-W6 VanDerWaalsContact O-N 3.1Å |
| 3 | E | 60.3 | Low | 61.7 | Low | 134 Ų | 134 | 121.5 Ų | 121.5 | 63% | 0.626 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -59.8 | -38.5 | -177.5 | -54.2 | -45 | 112.2 | 0 | 0 | 113.4 | L5 W6 I7 | E3-L5 VanDerWaalsContact C-N 3.33Å; E3-L5 PolarHBondContact O-N 3.33Å; E3-W6 PolarHBondContact O-N 3.25Å; E3-I7 WeakPolarHBondContact O-CG1 3.47Å; E3-I7 PolarHBondContact O-N 2.96Å |
| 4 | L | 60.2 | Low | 61.1 | Low | 119 Ų | 119 | 116.9 Ų | 116.9 | 62% | 0.623 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -66.2 | -34.8 | 176.9 | -98 | 159.7 | 0 | 0 | 0 | 112.4 | T2 L8 | T2-L4 VanDerWaalsContact C-N 3.31Å; T2-L4 PolarHBondContact O-N 3.47Å; L4-L8 WeakPolarHBondContact O-CB 3.14Å; L4-L8 WeakPolarHBondContact O-CG 3.15Å; L4-L8 PolarHBondContact O-N 2.89Å |
| 5 | L | 64.3 | Low | 60.5 | Low | 111 Ų | 111 | 116.9 Ų | 116.9 | 58% | 0.581 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -70.2 | -33.3 | 174.3 | -77.7 | 159.8 | 0 | 0 | 0 | 112 | T2 E3 T9 | T2-L5 WeakPolarHBondContact O-CB 3.37Å; T2-L5 PolarHBondContact O-N 3.12Å; E3-L5 VanDerWaalsContact C-N 3.33Å; E3-L5 PolarHBondContact O-N 3.33Å; L5-T9 WeakPolarHBondContact O-CB 3.29Å; L5-T9 WeakPolarHBondContact O-CG2 3.39Å; L5-T9 PolarHBondContact O-N 3.41Å; L5-T9 PolarHBondContact O-OG1 3.45Å |
| 6 | W | 65.1 | Low | 59.8 | Low | 158 Ų | 158 | 115.8 Ų | 115.8 | 60% | 0.598 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -67.4 | -46.5 | 171.3 | -86.6 | 79.5 | 0 | 0 | 0 | 111.9 | T2 E3 L8 T9 W10 | T2-W6 PolarHBondContact O-N 3.39Å; T2-W6 VanDerWaalsContact O-N 3.1Å; E3-W6 PolarHBondContact O-N 3.25Å; W6-L8 VanDerWaalsContact C-N 3.33Å; W6-L8 PolarHBondContact O-N 3.34Å; W6-T9 WeakPolarHBondContact CA-OG1 3.42Å; W6-T9 PolarHBondContact O-N 3.49Å; W6-T9 PolarHBondContact O-OG1 3.1Å; W6-W10 HydrophobicContact CE3-CZ2 4.42Å; W6-W10 AromaticContact CE3-NE1 3.3Å; W6-W10 VanDerWaalsContact CE3-NE1 3.3Å; W6-W10 HydrophobicContact CZ3-CZ2 4.03Å; W6-W10 AromaticContact CZ3-NE1 3.53Å; W6-W10 PolarHBondContact O-N 3.39Å; W6-W10 VanDerWaalsContact O-N 3.13Å |
| 7 | I | 65.3 | Low | 59.2 | Low | 109 Ų | 109 | 114.1 Ų | 114.1 | 56% | 0.559 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -61.2 | -42.6 | 176.5 | -64.7 | 165.4 | 0 | 0 | 0 | 111.1 | E3 T9 W10 L11 | E3-I7 WeakPolarHBondContact O-CG1 3.47Å; E3-I7 PolarHBondContact O-N 2.96Å; I7-T9 PolarHBondContact O-N 2.93Å; I7-W10 PolarHBondContact O-N 3.03Å; I7-L11 PolarHBondContact O-N 2.98Å |
| 8 | L | 64.6 | Low | 58.9 | Low | 104 Ų | 104 | 114.6 Ų | 114.6 | 55% | 0.545 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -67.9 | -27.5 | 178.1 | -82 | 163.5 | 0 | 0 | 0 | 114.5 | L4 W6 P12 | L4-L8 WeakPolarHBondContact O-CB 3.14Å; L4-L8 WeakPolarHBondContact O-CG 3.15Å; L4-L8 PolarHBondContact O-N 2.89Å; W6-L8 VanDerWaalsContact C-N 3.33Å; W6-L8 PolarHBondContact O-N 3.34Å; L8-P12 WeakPolarHBondContact O-CD 3.37Å |
| 9 | T | 66.3 | Low | 59.1 | Low | 89 Ų | 89 | 113.9 Ų | 113.9 | 55% | 0.546 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -82.8 | -23.8 | 176.8 | 43.5 | 0 | 0 | 0 | 0 | 112.9 | L5 W6 I7 P12 | L5-T9 WeakPolarHBondContact O-CB 3.29Å; L5-T9 WeakPolarHBondContact O-CG2 3.39Å; L5-T9 PolarHBondContact O-N 3.41Å; L5-T9 PolarHBondContact O-OG1 3.45Å; W6-T9 WeakPolarHBondContact CA-OG1 3.42Å; W6-T9 PolarHBondContact O-N 3.49Å; W6-T9 PolarHBondContact O-OG1 3.1Å; I7-T9 PolarHBondContact O-N 2.93Å; T9-P12 WeakPolarHBondContact O-CD 3.34Å; T9-P12 WeakPolarHBondContact O-CG 3.49Å |
| 10 | W | 59.1 | Low | 60.1 | Low | 162 Ų | 162 | 111.4 Ų | 111.4 | 61% | 0.614 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -87.1 | -24.6 | 174.3 | -72.6 | 55.7 | 0 | 0 | 0 | 112.6 | W6 I7 L13 A14 | W6-W10 HydrophobicContact CE3-CZ2 4.42Å; W6-W10 AromaticContact CE3-NE1 3.3Å; W6-W10 VanDerWaalsContact CE3-NE1 3.3Å; W6-W10 HydrophobicContact CZ3-CZ2 4.03Å; W6-W10 AromaticContact CZ3-NE1 3.53Å; W6-W10 PolarHBondContact O-N 3.39Å; W6-W10 VanDerWaalsContact O-N 3.13Å; I7-W10 PolarHBondContact O-N 3.03Å; W10-L13 WeakPolarHBondContact O-CB 3.45Å; W10-L13 PolarHBondContact O-N 2.77Å; W10-L13 VanDerWaalsContact O-N 3.08Å; W10-A14 PolarHBondContact O-N 3.2Å |
| 11 | L | 58.4 | Low | 61.5 | Low | 92 Ų | 92 | 106.9 Ų | 106.9 | 48% | 0.482 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -51.1 | -51.4 | 174.6 | -146.9 | 74.9 | 0 | 0 | 0 | 113.9 | I7 L13 A14 L15 | I7-L11 PolarHBondContact O-N 2.98Å; L11-L13 VanDerWaalsContact C-N 3.25Å; L11-L13 PolarHBondContact O-N 2.68Å; L11-A14 PolarHBondContact O-N 2.97Å; L11-L15 HydrophobicContact CG-CD1 4.06Å; L11-L15 WeakPolarHBondContact O-CD1 3.47Å; L11-L15 PolarHBondContact O-N 3.22Å |
| 12 | P | 58.6 | Low | 63.3 | Low | 79 Ų | 79 | 98.9 Ų | 98.9 | 51% | 0.513 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -64.8 | -28 | 177.5 | 25.8 | -35.4 | 0 | 0 | 0 | 113.3 | L8 T9 T16 | L8-P12 WeakPolarHBondContact O-CD 3.37Å; T9-P12 WeakPolarHBondContact O-CD 3.34Å; T9-P12 WeakPolarHBondContact O-CG 3.49Å; P12-T16 PolarHBondContact O-N 3.4Å |
| 13 | L | 55.3 | Low | 64.5 | Low | 126 Ų | 126 | 96.2 Ų | 96.2 | 66% | 0.66 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -76 | -32.6 | 176.8 | -157.9 | 71.3 | 0 | 0 | 0 | 111.7 | W10 L11 T16 | W10-L13 WeakPolarHBondContact O-CB 3.45Å; W10-L13 PolarHBondContact O-N 2.77Å; W10-L13 VanDerWaalsContact O-N 3.08Å; L11-L13 VanDerWaalsContact C-N 3.25Å; L11-L13 PolarHBondContact O-N 2.68Å; L13-T16 PolarHBondContact O-OG1 3.33Å |
| 14 | A | 53.6 | Low | 66.2 | Low | 57 Ų | 57 | 90 Ų | 90 | 47% | 0.471 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -72.9 | -33.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | W10 L11 T16 A17 | W10-A14 PolarHBondContact O-N 3.2Å; L11-A14 PolarHBondContact O-N 2.97Å; A14-T16 VanDerWaalsContact C-N 3.32Å; A14-T16 PolarHBondContact O-N 2.92Å; A14-A17 WeakPolarHBondContact O-CB 3.43Å; A14-A17 PolarHBondContact O-N 2.99Å |
| 15 | L | 52.1 | Low | 67.9 | Low | 117 Ų | 117 | 88.6 Ų | 88.6 | 61% | 0.613 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.6 | -29.4 | 178.5 | -99 | 76.8 | 0 | 0 | 0 | 113.3 | L11 A17 V18 | L11-L15 HydrophobicContact CG-CD1 4.06Å; L11-L15 WeakPolarHBondContact O-CD1 3.47Å; L11-L15 PolarHBondContact O-N 3.22Å; L15-A17 PolarHBondContact O-N 3.38Å; L15-V18 PolarHBondContact O-N 3.13Å |
| 16 | T | 49.7 | Very low | 69.4 | Low | 100 Ų | 100 | 87.9 Ų | 87.9 | 61% | 0.613 | 51% | 0.508 | S | S | * | . | G | 310 helix | trans | -68.5 | -21.2 | 176.1 | 57.2 | 0 | 0 | 0 | 0 | 113.2 | P12 L13 A14 V18 S19 | P12-T16 PolarHBondContact O-N 3.4Å; L13-T16 PolarHBondContact O-OG1 3.33Å; A14-T16 VanDerWaalsContact C-N 3.32Å; A14-T16 PolarHBondContact O-N 2.92Å; T16-V18 VanDerWaalsContact C-N 3.28Å; T16-V18 PolarHBondContact O-N 3.08Å; T16-S19 PolarHBondContact O-OG 3.23Å |
| 17 | A | 48.9 | Very low | 70.9 | Confident | 86 Ų | 86 | 81.7 Ų | 81.7 | 71% | 0.711 | 49% | 0.487 | S | S | * | . | G | 310 helix | trans | -78.4 | -6.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | A14 L15 | A14-A17 WeakPolarHBondContact O-CB 3.43Å; A14-A17 PolarHBondContact O-N 2.99Å; L15-A17 PolarHBondContact O-N 3.38Å |
| 18 | V | 54 | Low | 72.4 | Confident | 124 Ų | 124 | 80.8 Ų | 80.8 | 75% | 0.752 | 48% | 0.479 | S | S | * | . | G | 310 helix | trans | -117.8 | 36.9 | 178 | -159.1 | 0 | 0 | 0 | 0 | 111.1 | L15 T16 G20 | L15-V18 PolarHBondContact O-N 3.13Å; T16-V18 VanDerWaalsContact C-N 3.28Å; T16-V18 PolarHBondContact O-N 3.08Å; V18-G20 PolarHBondContact O-N 3.24Å |
| 19 | S | 62.6 | Low | 73.9 | Confident | 101 Ų | 101 | 76.9 Ų | 76.9 | 71% | 0.706 | 46% | 0.459 | S | S | * | . | trans | -71.4 | 109.9 | 161.4 | 45.5 | 0 | 0 | 0 | 0 | 108.9 | T16 | T16-S19 PolarHBondContact O-OG 3.23Š| ||
| 20 | G | 78.6 | Confident | 75.3 | Confident | 63 Ų | 63 | 75.9 Ų | 75.9 | 65% | 0.649 | 45% | 0.453 | S | S | * | . | P | Polyproline II helix | trans | -58.7 | 152 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | V18 P22 | V18-G20 PolarHBondContact O-N 3.24Å; G20-P22 WeakPolarHBondContact O-CD 3.35Å |
| 21 | L | 90.8 | Very high | 77 | Confident | 18 Ų | 18 | 69.7 Ų | 69.7 | 9% | 0.094 | 43% | 0.432 | C | S | . | . | P | Polyproline II helix | trans | -57.6 | 124.2 | -176.3 | -172.1 | 67.2 | 0 | 0 | 0 | 110.5 | P47 T50 A99 L101 S106 | L21-P47 HydrophobicContact CD1-CG 3.8Å; L21-T50 HydrophobicContact CD1-CG2 4.35Å; L21-T50 HydrophobicContact CD2-CG2 4.3Å; L21-A99 VanDerWaalsContact CD2-C 3.42Å; L21-A99 HydrophobicContact CD2-CB 3.82Å; L21-A99 WeakPolarHBondContact CD2-O 3Å; L21-A99 HydrophobicContact CG-CB 4.21Å; L21-L101 HydrophobicContact CD1-CB 4.24Å; L21-L101 HydrophobicContact CD2-CB 4.22Å; L21-S106 WeakPolarHBondContact O-CA 3.43Å; L21-S106 WeakPolarHBondContact O-CB 2.98Å |
| 22 | P | 92.8 | Very high | 78.4 | Confident | 35 Ų | 35 | 68.6 Ų | 68.6 | 23% | 0.227 | 43% | 0.427 | C | S | . | . | P | Polyproline II helix | trans | -58.6 | 139.8 | -176.2 | -27.5 | 35.6 | 0 | 0 | 0 | 112.6 | G20 A44 S106 | G20-P22 WeakPolarHBondContact O-CD 3.35Å; P22-A44 WeakPolarHBondContact CG-O 3.45Å; P22-S106 WeakPolarHBondContact O-CB 3.24Å |
| 23 | A | 94.5 | Very high | 79.6 | Confident | 37 Ų | 37 | 72.7 Ų | 72.7 | 31% | 0.306 | 44% | 0.439 | S | S | . | . | P | Polyproline II helix | trans | -65.7 | 148.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | G43 Q107 | A23-G43 WeakPolarHBondContact O-CA 3.45Å; A23-Q107 HydrophobicContact CB-CB 4.37Å; A23-Q107 WeakPolarHBondContact CB-O 3.28Å |
| 24 | P | 96.1 | Very high | 81 | Confident | 4 Ų | 4 | 69.2 Ų | 69.2 | 3% | 0.026 | 43% | 0.425 | C | S | . | . | P | Polyproline II helix | trans | -59.2 | 154.6 | 167.8 | -17.5 | 29.5 | 0 | 0 | 0 | 111.2 | F52 V97 A99 A109 | P24-F52 HydrophobicContact CB-CE1 4.37Å; P24-F52 HydrophobicContact CG-CD1 3.96Å; P24-F52 HydrophobicContact CG-CE1 4Å; P24-V97 HydrophobicContact CB-CB 4.42Å; P24-V97 HydrophobicContact CB-CG1 4.23Å; P24-V97 HydrophobicContact CG-CB 4.16Å; P24-V97 HydrophobicContact CG-CG1 3.88Å; P24-A99 HydrophobicContact CG-CB 4.45Å; P24-A109 HydrophobicContact CB-CB 3.79Å; P24-A109 HydrophobicContact CG-CB 4.1Å; P24-A109 VanDerWaalsContact O-CB 3.29Å; P24-A109 WeakPolarHBondContact O-CB 3.48Å |
| 25 | L | 95.6 | Very high | 82.8 | Confident | 89 Ų | 89 | 66.5 Ų | 66.5 | 47% | 0.466 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 164 | 179.8 | -63.1 | 175.8 | 0 | 0 | 0 | 110.4 | V27 E41 | L25-V27 PolarHBondContact O-N 3.1Å; L25-E41 PolarHBondContact N-O 3.5Å; L25-E41 PolarHBondContact O-N 2.97Å |
| 26 | N | 95.7 | Very high | 84.9 | Confident | 95 Ų | 95 | 60.9 Ų | 60.9 | 51% | 0.508 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 48.5 | 53.9 | 172.1 | -62.7 | -26.4 | 0 | 0 | 0 | 112.9 | K28 E41 | N26-K28 WeakPolarHBondContact O-CE 3.42Å; N26-K28 WeakPolarHBondContact O-CG 3.4Å; N26-E41 HydrophobicContact CB-CB 4.38Å; N26-E41 HydrophobicContact CB-CG 4.3Å; N26-E41 PolarHBondContact ND2-OE2 2.9Å |
| 27 | V | 96.6 | Very high | 87.1 | Confident | 28 Ų | 28 | 58 Ų | 58 | 17% | 0.17 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 121.5 | 175.2 | -178.1 | 0 | 0 | 0 | 0 | 109.3 | L25 L38 T39 W40 V97 A109 L111 | L25-V27 PolarHBondContact O-N 3.1Å; V27-L38 HydrophobicContact CG1-CD1 3.67Å; V27-L38 HydrophobicContact CG1-CG 4.49Å; V27-T39 WeakPolarHBondContact CA-O 3.42Å; V27-W40 HydrophobicContact CG2-CB 4.01Å; V27-V97 HydrophobicContact CG1-CG2 4.07Å; V27-V97 HydrophobicContact CG2-CB 4.48Å; V27-V97 HydrophobicContact CG2-CG2 4.15Å; V27-A109 HydrophobicContact CG2-CB 3.51Å; V27-L111 HydrophobicContact CG1-CB 4.25Å |
| 28 | K | 96.4 | Very high | 89.4 | Confident | 91 Ų | 91 | 53.9 Ų | 53.9 | 40% | 0.396 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 133.3 | -172.2 | 9.4 | 171.6 | -174.1 | -166.2 | 0 | 109.5 | N26 T39 E41 | N26-K28 WeakPolarHBondContact O-CE 3.42Å; N26-K28 WeakPolarHBondContact O-CG 3.4Å; K28-T39 WeakPolarHBondContact CG-OG1 3.29Å; K28-T39 PolarHBondContact N-O 3.22Å; K28-T39 PolarHBondContact O-N 2.91Å; K28-T39 PolarHBondContact O-OG1 2.73Å; K28-E41 WeakPolarHBondContact CE-OE1 3.5Å; K28-E41 IonicContact NZ-OE1 2.59Å; K28-E41 PolarHBondContact NZ-OE1 3.3Å |
| 29 | V | 97.1 | Very high | 91.5 | Very high | 21 Ų | 21 | 49.5 Ų | 49.5 | 13% | 0.127 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 131.5 | 168.8 | -177.1 | 0 | 0 | 0 | 0 | 109 | Y36 M37 L38 L82 I95 L111 Y114 | V29-Y36 HydrophobicContact CG1-CD1 4.01Å; V29-M37 WeakPolarHBondContact CA-O 3.34Å; V29-L38 HydrophobicContact CG2-CB 4.48Å; V29-L38 HydrophobicContact CG2-CD1 3.49Å; V29-L38 VanDerWaalsContact CG2-CD1 3.49Å; V29-L82 HydrophobicContact CG2-CD1 4.18Å; V29-I95 HydrophobicContact CG2-CD1 3.73Å; V29-L111 HydrophobicContact CG2-CD2 3.84Å; V29-Y114 HydrophobicContact CB-CE1 4.21Å; V29-Y114 HydrophobicContact CB-CE2 3.82Å; V29-Y114 HydrophobicContact CG1-CE1 3.97Å; V29-Y114 HydrophobicContact CG1-CE2 4.32Å; V29-Y114 VanDerWaalsContact CG1-OH 3.3Å; V29-Y114 WeakPolarHBondContact CG1-OH 3.42Å; V29-Y114 HydrophobicContact CG2-CE1 4.33Å; V29-Y114 HydrophobicContact CG2-CE2 4.25Å |
| 30 | T | 95.2 | Very high | 93.1 | Very high | 68 Ų | 68 | 45.1 Ų | 45.1 | 42% | 0.417 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 150 | 174.2 | 51.4 | 0 | 0 | 0 | 0 | 110.1 | Y36 M37 | T30-Y36 WeakPolarHBondContact O-CA 3.23Å; T30-M37 PolarHBondContact N-O 2.68Å; T30-M37 PolarHBondContact O-N 3.07Å; T30-M37 PolarHBondContact OG1-O 3.07Å |
| 31 | L | 94.1 | Very high | 94 | Very high | 33 Ų | 33 | 46 Ų | 46 | 17% | 0.173 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 124.4 | 177.9 | 178.4 | 63.4 | 0 | 0 | 0 | 110.4 | G35 Y36 H119 L120 Y142 F145 | L31-G35 WeakPolarHBondContact CA-O 3.27Å; L31-Y36 HydrophobicContact CB-CD1 4.36Å; L31-Y36 HydrophobicContact CB-CE1 4.29Å; L31-Y36 HydrophobicContact CD1-CD1 4.01Å; L31-Y36 HydrophobicContact CD1-CD2 3.83Å; L31-Y36 HydrophobicContact CD1-CE1 3.92Å; L31-Y36 HydrophobicContact CD1-CE2 3.71Å; L31-Y36 HydrophobicContact CD1-CG 3.97Å; L31-Y36 HydrophobicContact CD2-CE1 4.24Å; L31-Y36 HydrophobicContact CG-CE1 4.37Å; L31-H119 WeakPolarHBondContact CD2-O 3.46Å; L31-L120 HydrophobicContact CD2-CD1 4.08Å; L31-Y142 HydrophobicContact CD2-CD2 4.26Å; L31-Y142 HydrophobicContact CD2-CE2 3.86Å; L31-Y142 HydrophobicContact CG-CD2 4.39Å; L31-Y142 HydrophobicContact CG-CE2 3.82Å; L31-F145 HydrophobicContact CD1-CE2 3.68Å; L31-F145 HydrophobicContact CD1-CZ 3.97Å |
| 32 | D | 87.5 | Confident | 94.2 | Very high | 68 Ų | 68 | 48.8 Ų | 48.8 | 36% | 0.364 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | -168.6 | 173.2 | 69.4 | 26.4 | 0 | 0 | 0 | 111.8 | S34 G35 | D32-S34 PolarHBondContact O-N 2.86Å; D32-S34 VanDerWaalsContact OD1-CA 3.25Å; D32-S34 WeakPolarHBondContact OD1-CA 3.49Å; D32-S34 VanDerWaalsContact OD1-CB 3.24Å; D32-S34 WeakPolarHBondContact OD1-CB 3.45Å; D32-S34 PolarHBondContact OD1-N 2.9Å; D32-S34 PolarHBondContact OD1-OG 3.24Å; D32-G35 PolarHBondContact N-O 3.4Å; D32-G35 WeakPolarHBondContact O-CA 3.43Å; D32-G35 PolarHBondContact O-N 2.92Å; D32-G35 PolarHBondContact OD1-N 2.02Å |
| 33 | Q | 84.3 | Confident | 94.1 | Very high | 166 Ų | 166 | 47.4 Ų | 47.4 | 78% | 0.776 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -27.6 | 178.5 | -64.1 | -179.9 | -5.1 | 0 | 0 | 113.4 | G35 Y142 | Q33-G35 VanDerWaalsContact C-N 3.26Å; Q33-Y142 HydrophobicContact CG-CD1 4.08Å; Q33-Y142 HydrophobicContact CG-CE1 3.82Å |
| 34 | S | 85 | Confident | 93.8 | Very high | 52 Ų | 52 | 50.2 Ų | 50.2 | 36% | 0.364 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -5.1 | 173.7 | 81.9 | 0 | 0 | 0 | 0 | 113.2 | D32 N81 R144 | D32-S34 PolarHBondContact O-N 2.86Å; D32-S34 VanDerWaalsContact OD1-CA 3.25Å; D32-S34 WeakPolarHBondContact OD1-CA 3.49Å; D32-S34 VanDerWaalsContact OD1-CB 3.24Å; D32-S34 WeakPolarHBondContact OD1-CB 3.45Å; D32-S34 PolarHBondContact OD1-N 2.9Å; D32-S34 PolarHBondContact OD1-OG 3.24Å; S34-N81 PolarHBondContact O-ND2 2.78Å; S34-R144 PolarHBondContact O-NH1 3.04Å |
| 35 | G | 92.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 106.3 | -146.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | L31 D32 Q33 T83 | L31-G35 WeakPolarHBondContact CA-O 3.27Å; D32-G35 PolarHBondContact N-O 3.4Å; D32-G35 WeakPolarHBondContact O-CA 3.43Å; D32-G35 PolarHBondContact O-N 2.92Å; D32-G35 PolarHBondContact OD1-N 2.02Å; Q33-G35 VanDerWaalsContact C-N 3.26Å; G35-T83 WeakPolarHBondContact CA-OG1 3.37Å |
| 36 | Y | 95.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 114.1 | -179.5 | -68 | -91.6 | 0 | 0 | 0 | 110.6 | V29 T30 L31 N81 L82 T83 F86 L89 Y114 P116 F145 | V29-Y36 HydrophobicContact CG1-CD1 4.01Å; T30-Y36 WeakPolarHBondContact O-CA 3.23Å; L31-Y36 HydrophobicContact CB-CD1 4.36Å; L31-Y36 HydrophobicContact CB-CE1 4.29Å; L31-Y36 HydrophobicContact CD1-CD1 4.01Å; L31-Y36 HydrophobicContact CD1-CD2 3.83Å; L31-Y36 HydrophobicContact CD1-CE1 3.92Å; L31-Y36 HydrophobicContact CD1-CE2 3.71Å; L31-Y36 HydrophobicContact CD1-CG 3.97Å; L31-Y36 HydrophobicContact CD2-CE1 4.24Å; L31-Y36 HydrophobicContact CG-CE1 4.37Å; Y36-N81 PolarHBondContact O-OD1 2.86Å; Y36-L82 PolarHBondContact O-N 2.97Å; Y36-T83 HydrophobicContact CD2-CG2 4.3Å; Y36-T83 PolarHBondContact N-OG1 2.99Å; Y36-F86 HydrophobicContact CD1-CD2 4.24Å; Y36-F86 AromaticContact CD1-CE2 3.74Å; Y36-F86 HydrophobicContact CD1-CE2 3.74Å; Y36-F86 AromaticContact CD2-CD2 3.89Å; Y36-F86 HydrophobicContact CD2-CD2 3.89Å; Y36-F86 HydrophobicContact CD2-CE2 4.16Å; Y36-F86 HydrophobicContact CE1-CE2 4.47Å; Y36-F86 HydrophobicContact CE2-CD2 4.44Å; Y36-F86 AromaticContact CG-CD2 3.78Å; Y36-F86 HydrophobicContact CG-CD2 3.78Å; Y36-F86 AromaticContact CG-CE2 3.55Å; Y36-F86 HydrophobicContact CG-CE2 3.55Å; Y36-L89 HydrophobicContact CD2-CD2 4.31Å; Y36-L89 HydrophobicContact CE2-CD1 4.08Å; Y36-L89 HydrophobicContact CE2-CD2 3.6Å; Y36-Y114 HydrophobicContact CD1-CE1 4.44Å; Y36-P116 HydrophobicContact CD1-CB 4.43Å; Y36-P116 HydrophobicContact CE1-CB 3.78Å; Y36-P116 WeakPolarHBondContact CE1-O 3.04Å; Y36-P116 HydrophobicContact CE2-CB 4.29Å; Y36-P116 VanDerWaalsContact OH-C 3.23Å; Y36-P116 PolarHBondContact OH-O 3.47Å; Y36-F145 HydrophobicContact CD2-CE1 4.2Å; Y36-F145 AromaticContact CD2-CZ 3.85Å; Y36-F145 HydrophobicContact CD2-CZ 3.85Å; Y36-F145 AromaticContact CE2-CE1 3.84Å; Y36-F145 HydrophobicContact CE2-CE1 3.84Å; Y36-F145 HydrophobicContact CE2-CE2 4.34Å; Y36-F145 AromaticContact CE2-CZ 3.64Å; Y36-F145 HydrophobicContact CE2-CZ 3.64Å |
| 37 | M | 96 | Very high | 92.9 | Very high | 38 Ų | 38 | 48.3 Ų | 48.3 | 19% | 0.187 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 115.6 | 179.9 | -162.8 | 68.7 | 64.6 | 0 | 0 | 110.2 | V29 T30 T39 N81 | V29-M37 WeakPolarHBondContact CA-O 3.34Å; T30-M37 PolarHBondContact N-O 2.68Å; T30-M37 PolarHBondContact O-N 3.07Å; T30-M37 PolarHBondContact OG1-O 3.07Å; M37-T39 HydrophobicContact CG-CG2 4.44Å; M37-N81 HydrophobicContact CE-CB 4.36Å; M37-N81 HydrophobicContact SD-CB 4.23Å |
| 38 | L | 97.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 135.6 | 168.1 | -174.8 | 73.7 | 0 | 0 | 0 | 109.4 | V27 V29 W40 V54 T79 C80 L82 I95 V97 | V27-L38 HydrophobicContact CG1-CD1 3.67Å; V27-L38 HydrophobicContact CG1-CG 4.49Å; V29-L38 HydrophobicContact CG2-CB 4.48Å; V29-L38 HydrophobicContact CG2-CD1 3.49Å; V29-L38 VanDerWaalsContact CG2-CD1 3.49Å; L38-W40 HydrophobicContact CD2-CE3 4.18Å; L38-W40 HydrophobicContact CD2-CZ3 4.17Å; L38-W40 HydrophobicContact CG-CE3 4.16Å; L38-W40 HydrophobicContact CG-CZ3 4.35Å; L38-V54 HydrophobicContact CD2-CB 4.4Å; L38-V54 HydrophobicContact CD2-CG1 3.47Å; L38-V54 VanDerWaalsContact CD2-CG1 3.47Å; L38-V54 HydrophobicContact CD2-CG2 3.98Å; L38-T79 CarbonylContact O-C 3.59Å; L38-T79 VanDerWaalsContact O-CA 3.24Å; L38-T79 WeakPolarHBondContact O-CA 3.47Å; L38-C80 HydrophobicContact CB-CB 4.23Å; L38-C80 WeakPolarHBondContact CB-O 3.43Å; L38-C80 HydrophobicContact CD2-CB 4.44Å; L38-C80 PolarHBondContact N-O 2.89Å; L38-C80 PolarHBondContact O-N 2.83Å; L38-L82 HydrophobicContact CB-CD1 3.83Å; L38-L82 HydrophobicContact CB-CG 4Å; L38-L82 HydrophobicContact CD1-CD1 4.32Å; L38-L82 HydrophobicContact CD2-CD1 4.35Å; L38-L82 HydrophobicContact CG-CD1 4.4Å; L38-I95 HydrophobicContact CD1-CG2 4.06Å; L38-I95 HydrophobicContact CD2-CG2 3.83Å; L38-V97 HydrophobicContact CD2-CG2 3.83Å |
| 39 | T | 97.5 | Very high | 92.2 | Very high | 33 Ų | 33 | 50.8 Ų | 50.8 | 20% | 0.202 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 147.9 | 175.8 | 66.4 | 0 | 0 | 0 | 0 | 109.9 | V27 K28 M37 T79 | V27-T39 WeakPolarHBondContact CA-O 3.42Å; K28-T39 WeakPolarHBondContact CG-OG1 3.29Å; K28-T39 PolarHBondContact N-O 3.22Å; K28-T39 PolarHBondContact O-N 2.91Å; K28-T39 PolarHBondContact O-OG1 2.73Å; M37-T39 HydrophobicContact CG-CG2 4.44Å; T39-T79 HydrophobicContact CG2-CG2 4.14Å |
| 40 | W | 97.3 | Very high | 92.1 | Very high | 8 Ų | 8 | 50.2 Ų | 50.2 | 3% | 0.03 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 164.7 | 176 | 65 | 94.8 | 0 | 0 | 0 | 111.4 | V27 L38 F52 V54 V74 L78 C80 V97 | V27-W40 HydrophobicContact CG2-CB 4.01Å; L38-W40 HydrophobicContact CD2-CE3 4.18Å; L38-W40 HydrophobicContact CD2-CZ3 4.17Å; L38-W40 HydrophobicContact CG-CE3 4.16Å; L38-W40 HydrophobicContact CG-CZ3 4.35Å; W40-F52 AromaticContact CD1-CD1 3.99Å; W40-F52 HydrophobicContact CZ2-CB 3.74Å; W40-F52 HydrophobicContact CZ2-CG 4.19Å; W40-F52 AromaticContact NE1-CD1 3.36Å; W40-F52 AromaticContact NE1-CD2 3.76Å; W40-F52 AromaticContact NE1-CE1 3.84Å; W40-F52 AromaticContact NE1-CG 3.32Å; W40-F52 VanDerWaalsContact NE1-CG 3.32Å; W40-V54 HydrophobicContact CH2-CG2 3.95Å; W40-V54 HydrophobicContact CZ3-CG2 3.99Å; W40-V74 HydrophobicContact CH2-CB 4.13Å; W40-V74 HydrophobicContact CH2-CG1 3.87Å; W40-V74 HydrophobicContact CH2-CG2 4.2Å; W40-V74 HydrophobicContact CZ2-CB 3.99Å; W40-V74 HydrophobicContact CZ2-CG1 3.79Å; W40-L78 HydrophobicContact CD2-CB 4.27Å; W40-L78 HydrophobicContact CG-CB 4.49Å; W40-L78 HydrophobicContact CZ2-CB 4.22Å; W40-L78 HydrophobicContact CZ2-CD2 4.22Å; W40-L78 PolarHBondContact N-O 2.87Å; W40-L78 WeakPolarHBondContact O-CB 3.28Å; W40-C80 HydrophobicContact CH2-CB 4.12Å; W40-C80 HydrophobicContact CZ3-CB 3.82Å; W40-V97 HydrophobicContact CD2-CG1 3.95Å; W40-V97 HydrophobicContact CE3-CG2 4.44Å; W40-V97 HydrophobicContact CG-CG1 4.07Å |
| 41 | E | 96.7 | Very high | 92.2 | Very high | 81 Ų | 81 | 48.8 Ų | 48.8 | 38% | 0.379 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 153.4 | 179.4 | -70.1 | 161.3 | -142.5 | 0 | 0 | 110.2 | L25 N26 K28 | L25-E41 PolarHBondContact N-O 3.5Å; L25-E41 PolarHBondContact O-N 2.97Å; N26-E41 HydrophobicContact CB-CB 4.38Å; N26-E41 HydrophobicContact CB-CG 4.3Å; N26-E41 PolarHBondContact ND2-OE2 2.9Å; K28-E41 WeakPolarHBondContact CE-OE1 3.5Å; K28-E41 IonicContact NZ-OE1 2.59Å; K28-E41 PolarHBondContact NZ-OE1 3.3Å |
| 42 | Q | 94.7 | Very high | 92.4 | Very high | 77 Ų | 77 | 47.2 Ų | 47.2 | 36% | 0.36 | 30% | 0.301 | S | S | . | . | P | Polyproline II helix | trans | -75.9 | 144.9 | 177.5 | -50.5 | -166.6 | -16.2 | 0 | 0 | 109.9 | T46 F52 L78 | Q42-T46 HydrophobicContact CB-CG2 4.45Å; Q42-F52 HydrophobicContact CB-CZ 4.4Å; Q42-F52 HydrophobicContact CG-CE2 4.28Å; Q42-F52 HydrophobicContact CG-CZ 3.88Å; Q42-L78 HydrophobicContact CG-CD1 3.43Å; Q42-L78 VanDerWaalsContact CG-CD1 3.43Å |
| 43 | G | 90.3 | Very high | 92.8 | Very high | 7 Ų | 7 | 44.2 Ų | 44.2 | 7% | 0.072 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -63.3 | 150.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | A23 G45 T46 | A23-G43 WeakPolarHBondContact O-CA 3.45Å; G43-G45 PolarHBondContact O-N 2.95Å; G43-T46 PolarHBondContact N-OG1 2.72Å; G43-T46 WeakPolarHBondContact O-CB 3.24Å; G43-T46 PolarHBondContact O-N 2.85Å; G43-T46 VanDerWaalsContact O-N 3.09Å; G43-T46 PolarHBondContact O-OG1 3.34Å |
| 44 | A | 89 | Confident | 93.5 | Very high | 96 Ų | 96 | 36.3 Ų | 36.3 | 79% | 0.793 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59 | 131.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | P22 | P22-A44 WeakPolarHBondContact CG-O 3.45Š|
| 45 | G | 86.5 | Confident | 94 | Very high | 74 Ų | 74 | 35.4 Ų | 35.4 | 76% | 0.763 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 78.8 | 10.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | G43 P47 | G43-G45 PolarHBondContact O-N 2.95Å; G45-P47 WeakPolarHBondContact O-CD 3.25Å |
| 46 | T | 90.5 | Very high | 94.2 | Very high | 21 Ų | 21 | 35.8 Ų | 35.8 | 13% | 0.129 | 24% | 0.24 | C | C | . | . | P | Polyproline II helix | trans | -58.5 | 122.4 | 173.5 | -67.1 | 0 | 0 | 0 | 0 | 110.9 | Q42 G43 T50 | Q42-T46 HydrophobicContact CB-CG2 4.45Å; G43-T46 PolarHBondContact N-OG1 2.72Å; G43-T46 WeakPolarHBondContact O-CB 3.24Å; G43-T46 PolarHBondContact O-N 2.85Å; G43-T46 VanDerWaalsContact O-N 3.09Å; G43-T46 PolarHBondContact O-OG1 3.34Å; T46-T50 HydrophobicContact CG2-CG2 3.76Å; T46-T50 WeakPolarHBondContact CG2-OG1 3.42Å |
| 47 | P | 90.9 | Very high | 94 | Very high | 53 Ų | 53 | 35.9 Ų | 35.9 | 34% | 0.344 | 24% | 0.241 | S | C | . | . | P | Polyproline II helix | trans | -70.2 | 153.2 | -178.9 | 26.4 | -34.7 | 0 | 0 | 0 | 113.1 | L21 G45 T50 L101 | L21-P47 HydrophobicContact CD1-CG 3.8Å; G45-P47 WeakPolarHBondContact O-CD 3.25Å; P47-T50 WeakPolarHBondContact O-CB 3.33Å; P47-T50 PolarHBondContact O-N 3.22Å; P47-T50 PolarHBondContact O-OG1 3.02Å; P47-L101 HydrophobicContact CB-CD2 4.17Å; P47-L101 HydrophobicContact CG-CD2 3.61Å |
| 48 | S | 89 | Confident | 93.8 | Very high | 124 Ų | 124 | 34.9 Ų | 34.9 | 87% | 0.867 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | 146 | 174 | -71 | 0 | 0 | 0 | 0 | 111.7 | T50 | S48-T50 VanDerWaalsContact C-N 3.29Š|
| 49 | G | 90.4 | Very high | 93 | Very high | 47 Ų | 47 | 39.7 Ų | 39.7 | 49% | 0.485 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.8 | -9.7 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y51 Q75 | G49-Y51 PolarHBondContact O-N 2.85Å; G49-Q75 PolarHBondContact O-NE2 3.01Å |
| 50 | T | 95 | Very high | 91.9 | Very high | 8 Ų | 8 | 43.4 Ų | 43.4 | 5% | 0.049 | 28% | 0.279 | C | S | . | . | trans | -56.6 | 136 | 170.5 | -58.7 | 0 | 0 | 0 | 0 | 110.6 | L21 T46 P47 S48 F52 A99 H100 | L21-T50 HydrophobicContact CD1-CG2 4.35Å; L21-T50 HydrophobicContact CD2-CG2 4.3Å; T46-T50 HydrophobicContact CG2-CG2 3.76Å; T46-T50 WeakPolarHBondContact CG2-OG1 3.42Å; P47-T50 WeakPolarHBondContact O-CB 3.33Å; P47-T50 PolarHBondContact O-N 3.22Å; P47-T50 PolarHBondContact O-OG1 3.02Å; S48-T50 VanDerWaalsContact C-N 3.29Å; T50-F52 HydrophobicContact CG2-CE2 4.28Å; T50-F52 HydrophobicContact CG2-CZ 4.14Å; T50-A99 HydrophobicContact CG2-CB 3.91Å; T50-H100 WeakPolarHBondContact CA-O 3.24Å | ||
| 51 | Y | 96.6 | Very high | 90.8 | Very high | 39 Ų | 39 | 44.7 Ų | 44.7 | 15% | 0.153 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 164.6 | 169.9 | 68.5 | -88.1 | 0 | 0 | 0 | 110.5 | G49 R73 V74 A99 H100 | G49-Y51 PolarHBondContact O-N 2.85Å; Y51-R73 HydrophobicContact CD1-CG 4.22Å; Y51-R73 VanDerWaalsContact CD1-CZ 3.48Å; Y51-R73 HydrophobicContact CD2-CB 4.18Å; Y51-R73 HydrophobicContact CD2-CG 3.46Å; Y51-R73 VanDerWaalsContact CD2-CG 3.46Å; Y51-R73 HydrophobicContact CE2-CG 3.95Å; Y51-R73 HydrophobicContact CG-CG 3.57Å; Y51-R73 PolarHBondContact OH-NH1 3.45Å; Y51-V74 CarbonylContact C-O 3.6Å; Y51-V74 VanDerWaalsContact CA-O 3.29Å; Y51-V74 WeakPolarHBondContact CA-O 3.42Å; Y51-A99 CarbonylContact O-C 3.53Å; Y51-A99 WeakPolarHBondContact O-CA 3.33Å; Y51-H100 HydrophobicContact CD1-CB 3.99Å; Y51-H100 WeakPolarHBondContact CD1-O 3.42Å; Y51-H100 HydrophobicContact CD2-CB 3.94Å; Y51-H100 AromaticContact CD2-CD2 3.99Å; Y51-H100 HydrophobicContact CE1-CB 3.5Å; Y51-H100 HydrophobicContact CE2-CB 3.49Å; Y51-H100 VanDerWaalsContact CE2-CB 3.49Å; Y51-H100 AromaticContact CE2-CD2 3.58Å; Y51-H100 AromaticContact CE2-CG 3.7Å; Y51-H100 HydrophobicContact CG-CB 4.21Å; Y51-H100 AromaticContact CZ-CG 3.84Å; Y51-H100 PolarHBondContact N-O 2.89Å; Y51-H100 PolarHBondContact O-N 2.86Å |
| 52 | F | 97.4 | Very high | 89.6 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 143.8 | -177.3 | -59.3 | -93.2 | 0 | 0 | 0 | 110.1 | P24 W40 Q42 T50 V74 L78 V97 K98 A99 | P24-F52 HydrophobicContact CB-CE1 4.37Å; P24-F52 HydrophobicContact CG-CD1 3.96Å; P24-F52 HydrophobicContact CG-CE1 4Å; W40-F52 AromaticContact CD1-CD1 3.99Å; W40-F52 HydrophobicContact CZ2-CB 3.74Å; W40-F52 HydrophobicContact CZ2-CG 4.19Å; W40-F52 AromaticContact NE1-CD1 3.36Å; W40-F52 AromaticContact NE1-CD2 3.76Å; W40-F52 AromaticContact NE1-CE1 3.84Å; W40-F52 AromaticContact NE1-CG 3.32Å; W40-F52 VanDerWaalsContact NE1-CG 3.32Å; Q42-F52 HydrophobicContact CB-CZ 4.4Å; Q42-F52 HydrophobicContact CG-CE2 4.28Å; Q42-F52 HydrophobicContact CG-CZ 3.88Å; T50-F52 HydrophobicContact CG2-CE2 4.28Å; T50-F52 HydrophobicContact CG2-CZ 4.14Å; F52-V74 PolarHBondContact N-O 3.41Å; F52-V74 PolarHBondContact O-N 3.46Å; F52-L78 HydrophobicContact CD2-CD2 3.58Å; F52-L78 HydrophobicContact CE2-CD2 3.58Å; F52-L78 HydrophobicContact CG-CD2 4.47Å; F52-L78 HydrophobicContact CZ-CD2 4.44Å; F52-V97 HydrophobicContact CB-CG1 4.33Å; F52-V97 HydrophobicContact CD1-CG1 4.28Å; F52-K98 CarbonylContact C-O 3.43Å; F52-K98 VanDerWaalsContact CA-O 3.24Å; F52-K98 WeakPolarHBondContact CA-O 3.43Å; F52-A99 HydrophobicContact CD1-CB 3.81Å; F52-A99 HydrophobicContact CE1-CB 3.58Å; F52-A99 HydrophobicContact CZ-CB 4.37Å |
| 53 | S | 97.2 | Very high | 88.7 | Confident | 5 Ų | 5 | 50.2 Ų | 50.2 | 4% | 0.035 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 141.1 | 169.7 | 68.8 | 0 | 0 | 0 | 0 | 109.9 | H55 C71 V97 K98 H100 | S53-H55 PolarHBondContact OG-CE1 2.59Å; S53-H55 VanDerWaalsContact OG-CE1 3.22Å; S53-C71 WeakPolarHBondContact CA-O 3.13Å; S53-V97 WeakPolarHBondContact O-CA 3.48Å; S53-K98 PolarHBondContact N-O 3.15Å; S53-K98 PolarHBondContact O-N 3.05Å; S53-H100 PolarHBondContact OG-NE2 2.61Å |
| 54 | V | 98.1 | Very high | 88.5 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 129.2 | 177.2 | -176.1 | 0 | 0 | 0 | 0 | 109 | L38 W40 V68 C71 C80 L82 I95 E96 V97 | L38-V54 HydrophobicContact CD2-CB 4.4Å; L38-V54 HydrophobicContact CD2-CG1 3.47Å; L38-V54 VanDerWaalsContact CD2-CG1 3.47Å; L38-V54 HydrophobicContact CD2-CG2 3.98Å; W40-V54 HydrophobicContact CH2-CG2 3.95Å; W40-V54 HydrophobicContact CZ3-CG2 3.99Å; V54-V68 HydrophobicContact CB-CB 4.33Å; V54-V68 HydrophobicContact CB-CG2 4.29Å; V54-V68 HydrophobicContact CG1-CB 4.43Å; V54-V68 HydrophobicContact CG1-CG2 3.92Å; V54-V68 WeakPolarHBondContact O-CB 3.14Å; V54-V68 WeakPolarHBondContact O-CG2 3.44Å; V54-V68 PolarHBondContact O-N 3.37Å; V54-C71 HydrophobicContact CB-CB 3.88Å; V54-C71 HydrophobicContact CG2-CB 3.96Å; V54-C71 PolarHBondContact N-O 2.97Å; V54-C80 HydrophobicContact CG2-CB 3.91Å; V54-L82 HydrophobicContact CG1-CD2 4.2Å; V54-I95 HydrophobicContact CG1-CG2 4.25Å; V54-E96 WeakPolarHBondContact CA-O 3.46Å; V54-V97 HydrophobicContact CG2-CG2 4.41Å |
| 55 | H | 96.3 | Very high | 88.6 | Confident | 33 Ų | 33 | 55.3 Ų | 55.3 | 15% | 0.153 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 149.4 | 175.8 | -60.2 | 72.7 | 0 | 0 | 0 | 110.1 | S53 L65 I66 I95 E96 | S53-H55 PolarHBondContact OG-CE1 2.59Å; S53-H55 VanDerWaalsContact OG-CE1 3.22Å; H55-L65 HydrophobicContact CB-CD2 3.94Å; H55-I66 CarbonylContact C-O 3.56Å; H55-I66 VanDerWaalsContact CA-O 3.23Å; H55-I66 WeakPolarHBondContact CA-O 3.36Å; H55-I95 WeakPolarHBondContact O-CA 3.47Å; H55-E96 HydrophobicContact CB-CB 4.42Å; H55-E96 PolarHBondContact N-O 3.31Å; H55-E96 PolarHBondContact O-N 2.92Å |
| 56 | T | 95.4 | Very high | 88.9 | Confident | 7 Ų | 7 | 56 Ų | 56 | 4% | 0.043 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 137.1 | 176 | 51 | 0 | 0 | 0 | 0 | 110.2 | I66 V68 L82 T85 N94 I95 | T56-I66 PolarHBondContact N-O 2.85Å; T56-I66 PolarHBondContact O-N 2.65Å; T56-V68 HydrophobicContact CG2-CG2 3.7Å; T56-L82 HydrophobicContact CG2-CD2 4.3Å; T56-T85 HydrophobicContact CG2-CG2 3.95Å; T56-T85 VanDerWaalsContact OG1-CG2 3.27Å; T56-T85 WeakPolarHBondContact OG1-CG2 3.49Å; T56-N94 CarbonylContact C-O 3.55Å; T56-N94 WeakPolarHBondContact CA-O 3.44Å; T56-I95 HydrophobicContact CG2-CG1 4.17Å |
| 57 | A | 92.7 | Very high | 89.1 | Confident | 3 Ų | 3 | 58.8 Ų | 58.8 | 3% | 0.025 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 127.6 | 166.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | Q64 L65 F93 N94 | A57-Q64 WeakPolarHBondContact CA-O 3.47Å; A57-Q64 WeakPolarHBondContact CB-O 3.47Å; A57-L65 HydrophobicContact CB-CD2 4.13Å; A57-L65 HydrophobicContact CB-CG 4.36Å; A57-F93 WeakPolarHBondContact O-CA 3.36Å; A57-N94 PolarHBondContact N-O 3.26Å; A57-N94 PolarHBondContact O-N 3.31Å |
| 58 | S | 90.2 | Very high | 89.4 | Confident | 16 Ų | 16 | 56.3 Ų | 56.3 | 11% | 0.112 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 147.5 | 167.2 | -178.4 | 0 | 0 | 0 | 0 | 108.9 | N60 S61 | S58-N60 PolarHBondContact O-N 3.45Å; S58-N60 PolarHBondContact OG-N 3.34Å; S58-S61 PolarHBondContact N-OG 3.09Å; S58-S61 PolarHBondContact O-N 3.45Å; S58-S61 VanDerWaalsContact O-N 3.16Å; S58-S61 PolarHBondContact O-OG 3.07Å |
| 59 | Q | 81.4 | Confident | 89.6 | Confident | 101 Ų | 101 | 54.7 Ų | 54.7 | 47% | 0.472 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -34.8 | 171.8 | -167.3 | 172.1 | 31.6 | 0 | 0 | 111.6 | S61 I92 | Q59-S61 VanDerWaalsContact C-N 3.35Å; Q59-S61 PolarHBondContact O-N 3.37Å; Q59-I92 HydrophobicContact CB-CB 4.38Å; Q59-I92 PolarHBondContact N-O 2.72Å |
| 60 | N | 73.4 | Confident | 89.7 | Confident | 112 Ų | 112 | 55.6 Ų | 55.6 | 60% | 0.599 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | -13.8 | 179.8 | -73 | -5.4 | 0 | 0 | 0 | 113.8 | S58 N62 H91 | S58-N60 PolarHBondContact O-N 3.45Å; S58-N60 PolarHBondContact OG-N 3.34Å; N60-N62 VanDerWaalsContact C-N 3.3Å; N60-N62 PolarHBondContact O-N 2.76Å; N60-H91 PolarHBondContact ND2-CD2 3.31Å; N60-H91 PolarHBondContact ND2-NE2 3.32Å |
| 61 | S | 74.4 | Confident | 89.8 | Confident | 35 Ų | 35 | 55.6 Ų | 55.6 | 25% | 0.245 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | 35.7 | -179.1 | 68.1 | 0 | 0 | 0 | 0 | 112.9 | S58 Q59 H63 Q64 | S58-S61 PolarHBondContact N-OG 3.09Å; S58-S61 PolarHBondContact O-N 3.45Å; S58-S61 VanDerWaalsContact O-N 3.16Å; S58-S61 PolarHBondContact O-OG 3.07Å; Q59-S61 VanDerWaalsContact C-N 3.35Å; Q59-S61 PolarHBondContact O-N 3.37Å; S61-H63 PolarHBondContact O-N 3.44Å; S61-Q64 VanDerWaalsContact O-CB 3.29Å; S61-Q64 WeakPolarHBondContact O-CB 3.25Å; S61-Q64 PolarHBondContact O-N 2.82Å |
| 62 | N | 73.1 | Confident | 89.8 | Confident | 155 Ų | 155 | 58 Ų | 58 | 83% | 0.829 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.3 | 34.9 | -176.8 | -68.7 | -33.7 | 0 | 0 | 0 | 113.9 | N60 Q64 | N60-N62 VanDerWaalsContact C-N 3.3Å; N60-N62 PolarHBondContact O-N 2.76Å; N62-Q64 PolarHBondContact O-N 3.31Å; N62-Q64 VanDerWaalsContact O-N 3.15Å |
| 63 | H | 74.4 | Confident | 89.7 | Confident | 119 Ų | 119 | 65.4 Ų | 65.4 | 55% | 0.551 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.1 | 17.3 | -174.4 | -60.1 | 80 | 0 | 0 | 0 | 115.6 | S61 L65 | S61-H63 PolarHBondContact O-N 3.44Å; H63-L65 PolarHBondContact O-N 3.35Å |
| 64 | Q | 87.1 | Confident | 89.7 | Confident | 135 Ų | 135 | 66 Ų | 66 | 63% | 0.631 | 35% | 0.353 | S | S | * | . | trans | -62.2 | 121.2 | 174.7 | -170.6 | 176 | 26.7 | 0 | 0 | 110.5 | A57 S61 N62 I66 | A57-Q64 WeakPolarHBondContact CA-O 3.47Å; A57-Q64 WeakPolarHBondContact CB-O 3.47Å; S61-Q64 VanDerWaalsContact O-CB 3.29Å; S61-Q64 WeakPolarHBondContact O-CB 3.25Å; S61-Q64 PolarHBondContact O-N 2.82Å; N62-Q64 PolarHBondContact O-N 3.31Å; N62-Q64 VanDerWaalsContact O-N 3.15Å; Q64-I66 PolarHBondContact O-N 2.92Å | ||
| 65 | L | 90.8 | Very high | 89.5 | Confident | 74 Ų | 74 | 70.4 Ų | 70.4 | 39% | 0.387 | 37% | 0.373 | S | S | . | . | trans | -77.3 | 109.6 | 174.9 | -79.9 | 161.7 | 0 | 0 | 0 | 110.1 | H55 A57 H63 E96 | H55-L65 HydrophobicContact CB-CD2 3.94Å; A57-L65 HydrophobicContact CB-CD2 4.13Å; A57-L65 HydrophobicContact CB-CG 4.36Å; H63-L65 PolarHBondContact O-N 3.35Å; L65-E96 HydrophobicContact CD2-CG 4Å | ||
| 66 | I | 92.6 | Very high | 89.3 | Confident | 89 Ų | 89 | 77.4 Ų | 77.4 | 46% | 0.456 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 133 | 177 | -58.1 | 173.1 | 0 | 0 | 0 | 108.6 | H55 T56 Q64 | H55-I66 CarbonylContact C-O 3.56Å; H55-I66 VanDerWaalsContact CA-O 3.23Å; H55-I66 WeakPolarHBondContact CA-O 3.36Å; T56-I66 PolarHBondContact N-O 2.85Å; T56-I66 PolarHBondContact O-N 2.65Å; Q64-I66 PolarHBondContact O-N 2.92Å |
| 67 | L | 95.4 | Very high | 89.3 | Confident | 79 Ų | 79 | 81.5 Ų | 81.5 | 41% | 0.414 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 126.1 | 175.4 | -178.4 | 69.8 | 0 | 0 | 0 | 110 | Q72 | L67-Q72 HydrophobicContact CD1-CG 4.39Å; L67-Q72 HydrophobicContact CD2-CB 3.95Å; L67-Q72 HydrophobicContact CD2-CG 3.47Å; L67-Q72 VanDerWaalsContact CD2-CG 3.47Å; L67-Q72 HydrophobicContact CG-CB 4.38Å; L67-Q72 HydrophobicContact CG-CG 3.76Å |
| 68 | V | 96.4 | Very high | 89.5 | Confident | 2 Ų | 2 | 82.9 Ų | 82.9 | 1% | 0.012 | 44% | 0.437 | C | S | . | . | P | Polyproline II helix | trans | -71.2 | 130.9 | -173.7 | 178.6 | 0 | 0 | 0 | 0 | 111.6 | V54 T56 G70 C71 L82 T85 | V54-V68 HydrophobicContact CB-CB 4.33Å; V54-V68 HydrophobicContact CB-CG2 4.29Å; V54-V68 HydrophobicContact CG1-CB 4.43Å; V54-V68 HydrophobicContact CG1-CG2 3.92Å; V54-V68 WeakPolarHBondContact O-CB 3.14Å; V54-V68 WeakPolarHBondContact O-CG2 3.44Å; V54-V68 PolarHBondContact O-N 3.37Å; T56-V68 HydrophobicContact CG2-CG2 3.7Å; V68-G70 PolarHBondContact O-N 2.78Å; V68-C71 HydrophobicContact CB-CB 4.04Å; V68-C71 HydrophobicContact CG1-CB 4.03Å; V68-C71 PolarHBondContact O-N 2.9Å; V68-C71 VanDerWaalsContact O-N 3.1Å; V68-L82 HydrophobicContact CG1-CD2 4.06Å; V68-L82 HydrophobicContact CG2-CD2 4.03Å; V68-T85 HydrophobicContact CG2-CG2 4.03Å |
| 69 | S | 93.5 | Very high | 89.8 | Confident | 90 Ų | 90 | 84.7 Ų | 84.7 | 63% | 0.629 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | 126.9 | 176.9 | 44.1 | 0 | 0 | 0 | 0 | 111.5 | C71 | S69-C71 PolarHBondContact O-N 3.25Š|
| 70 | G | 93 | Very high | 90.5 | Very high | 66 Ų | 66 | 80 Ų | 80 | 68% | 0.68 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.6 | -10.8 | -176 | 0 | 0 | 0 | 0 | 0 | 114.5 | V68 Q72 | V68-G70 PolarHBondContact O-N 2.78Å; G70-Q72 VanDerWaalsContact CA-OE1 3.32Å |
| 71 | C | 96.9 | Very high | 91.5 | Very high | 7 Ų | 7 | 77.7 Ų | 77.7 | 5% | 0.047 | 41% | 0.413 | C | S | . | . | trans | -116.1 | 26.8 | -178.2 | -52.8 | 0 | 0 | 0 | 0 | 113.4 | S53 V54 V68 S69 V74 C80 | S53-C71 WeakPolarHBondContact CA-O 3.13Å; V54-C71 HydrophobicContact CB-CB 3.88Å; V54-C71 HydrophobicContact CG2-CB 3.96Å; V54-C71 PolarHBondContact N-O 2.97Å; V68-C71 HydrophobicContact CB-CB 4.04Å; V68-C71 HydrophobicContact CG1-CB 4.03Å; V68-C71 PolarHBondContact O-N 2.9Å; V68-C71 VanDerWaalsContact O-N 3.1Å; S69-C71 PolarHBondContact O-N 3.25Å; C71-V74 HydrophobicContact CB-CG2 4.08Å; C71-C80 HydrophobicContact CB-CB 3.86Å; C71-C80 WeakPolarHBondContact CB-SG 3.46Å; C71-C80 VanDerWaalsContact SG-CA 3.54Å; C71-C80 WeakPolarHBondContact SG-CB 3.1Å; C71-C80 CovalentContact SG-SG 2.02Å; C71-C80 PolarHBondContact SG-SG 2.88Å | ||
| 72 | Q | 96.1 | Very high | 92.6 | Very high | 89 Ų | 89 | 76 Ų | 76 | 42% | 0.416 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -77.4 | -29.7 | -178.9 | -53.6 | 94.8 | -22.5 | 0 | 0 | 113.5 | L67 G70 | L67-Q72 HydrophobicContact CD1-CG 4.39Å; L67-Q72 HydrophobicContact CD2-CB 3.95Å; L67-Q72 HydrophobicContact CD2-CG 3.47Å; L67-Q72 VanDerWaalsContact CD2-CG 3.47Å; L67-Q72 HydrophobicContact CG-CB 4.38Å; L67-Q72 HydrophobicContact CG-CG 3.76Å; G70-Q72 VanDerWaalsContact CA-OE1 3.32Å |
| 73 | R | 96 | Very high | 93.5 | Very high | 156 Ų | 156 | 69.1 Ų | 69.1 | 59% | 0.589 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -145.1 | 53.3 | -173.3 | -156.7 | -172.7 | -179.3 | 82.7 | 3.2 | 112.9 | Y51 | Y51-R73 HydrophobicContact CD1-CG 4.22Å; Y51-R73 VanDerWaalsContact CD1-CZ 3.48Å; Y51-R73 HydrophobicContact CD2-CB 4.18Å; Y51-R73 HydrophobicContact CD2-CG 3.46Å; Y51-R73 VanDerWaalsContact CD2-CG 3.46Å; Y51-R73 HydrophobicContact CE2-CG 3.95Å; Y51-R73 HydrophobicContact CG-CG 3.57Å; Y51-R73 PolarHBondContact OH-NH1 3.45Å |
| 74 | V | 96.4 | Very high | 94.3 | Very high | 19 Ų | 19 | 70.2 Ų | 70.2 | 12% | 0.115 | 37% | 0.37 | C | S | . | . | B | Isolated β-bridge | trans | -73.2 | 135.6 | -177.9 | -174 | 0 | 0 | 0 | 0 | 110.6 | W40 Y51 F52 C71 P77 | W40-V74 HydrophobicContact CH2-CB 4.13Å; W40-V74 HydrophobicContact CH2-CG1 3.87Å; W40-V74 HydrophobicContact CH2-CG2 4.2Å; W40-V74 HydrophobicContact CZ2-CB 3.99Å; W40-V74 HydrophobicContact CZ2-CG1 3.79Å; Y51-V74 CarbonylContact C-O 3.6Å; Y51-V74 VanDerWaalsContact CA-O 3.29Å; Y51-V74 WeakPolarHBondContact CA-O 3.42Å; F52-V74 PolarHBondContact N-O 3.41Å; F52-V74 PolarHBondContact O-N 3.46Å; C71-V74 HydrophobicContact CB-CG2 4.08Å; V74-P77 WeakPolarHBondContact CG1-O 3.49Å |
| 75 | Q | 94.3 | Very high | 94.5 | Very high | 91 Ų | 91 | 65.4 Ų | 65.4 | 43% | 0.425 | 35% | 0.35 | S | S | . | . | trans | -122.5 | -55.6 | 174.8 | -72.9 | -172.1 | -22.6 | 0 | 0 | 112.5 | G49 L78 | G49-Q75 PolarHBondContact O-NE2 3.01Å; Q75-L78 WeakPolarHBondContact O-CD2 3.35Å | ||
| 76 | K | 92.8 | Very high | 94.5 | Very high | 180 Ų | 180 | 62.3 Ų | 62.3 | 78% | 0.783 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -151.2 | 144 | 169.6 | -65.7 | -172.2 | -179.6 | 179.1 | 0 | 108.9 | ||
| 77 | P | 94.4 | Very high | 94.1 | Very high | 93 Ų | 93 | 60.8 Ų | 60.8 | 60% | 0.604 | 34% | 0.34 | S | S | * | . | S | Bend | cis | -63.4 | 160.2 | -13.6 | 29.3 | -35.3 | 0 | 0 | 0 | 112.1 | V74 T79 | V74-P77 WeakPolarHBondContact CG1-O 3.49Å; P77-T79 HydrophobicContact CB-CG2 4.25Å; P77-T79 WeakPolarHBondContact CG-OG1 3.47Å; P77-T79 PolarHBondContact O-N 3.05Å |
| 78 | L | 96.2 | Very high | 93.6 | Very high | 33 Ų | 33 | 59.3 Ų | 59.3 | 17% | 0.173 | 33% | 0.332 | C | S | . | . | trans | -86.1 | 62.5 | -179.9 | -61.5 | 176 | 0 | 0 | 0 | 110.6 | W40 Q42 F52 Q75 | W40-L78 HydrophobicContact CD2-CB 4.27Å; W40-L78 HydrophobicContact CG-CB 4.49Å; W40-L78 HydrophobicContact CZ2-CB 4.22Å; W40-L78 HydrophobicContact CZ2-CD2 4.22Å; W40-L78 PolarHBondContact N-O 2.87Å; W40-L78 WeakPolarHBondContact O-CB 3.28Å; Q42-L78 HydrophobicContact CG-CD1 3.43Å; Q42-L78 VanDerWaalsContact CG-CD1 3.43Å; F52-L78 HydrophobicContact CD2-CD2 3.58Å; F52-L78 HydrophobicContact CE2-CD2 3.58Å; F52-L78 HydrophobicContact CG-CD2 4.47Å; F52-L78 HydrophobicContact CZ-CD2 4.44Å; Q75-L78 WeakPolarHBondContact O-CD2 3.35Å | ||
| 79 | T | 96.5 | Very high | 93.3 | Very high | 54 Ų | 54 | 59.3 Ų | 59.3 | 33% | 0.331 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 145.1 | -172.9 | 57.8 | 0 | 0 | 0 | 0 | 110.3 | L38 T39 P77 | L38-T79 CarbonylContact O-C 3.59Å; L38-T79 VanDerWaalsContact O-CA 3.24Å; L38-T79 WeakPolarHBondContact O-CA 3.47Å; T39-T79 HydrophobicContact CG2-CG2 4.14Å; P77-T79 HydrophobicContact CB-CG2 4.25Å; P77-T79 WeakPolarHBondContact CG-OG1 3.47Å; P77-T79 PolarHBondContact O-N 3.05Å |
| 80 | C | 96.8 | Very high | 92.9 | Very high | 3 Ų | 3 | 57.1 Ų | 57.1 | 2% | 0.02 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 131.3 | 176.2 | 174 | 0 | 0 | 0 | 0 | 109.8 | L38 W40 V54 C71 | L38-C80 HydrophobicContact CB-CB 4.23Å; L38-C80 WeakPolarHBondContact CB-O 3.43Å; L38-C80 HydrophobicContact CD2-CB 4.44Å; L38-C80 PolarHBondContact N-O 2.89Å; L38-C80 PolarHBondContact O-N 2.83Å; W40-C80 HydrophobicContact CH2-CB 4.12Å; W40-C80 HydrophobicContact CZ3-CB 3.82Å; V54-C80 HydrophobicContact CG2-CB 3.91Å; C71-C80 HydrophobicContact CB-CB 3.86Å; C71-C80 WeakPolarHBondContact CB-SG 3.46Å; C71-C80 VanDerWaalsContact SG-CA 3.54Å; C71-C80 WeakPolarHBondContact SG-CB 3.1Å; C71-C80 CovalentContact SG-SG 2.02Å; C71-C80 PolarHBondContact SG-SG 2.88Å |
| 81 | N | 95.5 | Very high | 92.7 | Very high | 63 Ų | 63 | 57 Ų | 57 | 34% | 0.337 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 121.6 | 175.3 | -166.8 | -37.9 | 0 | 0 | 0 | 109.1 | S34 Y36 M37 T83 | S34-N81 PolarHBondContact O-ND2 2.78Å; Y36-N81 PolarHBondContact O-OD1 2.86Å; M37-N81 HydrophobicContact CE-CB 4.36Å; M37-N81 HydrophobicContact SD-CB 4.23Å; N81-T83 VanDerWaalsContact OD1-CB 3.25Å; N81-T83 WeakPolarHBondContact OD1-CB 3.34Å; N81-T83 PolarHBondContact OD1-N 2.73Å; N81-T83 PolarHBondContact OD1-OG1 3.38Å |
| 82 | L | 95.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 31% | 0.305 | C | S | . | . | trans | -103.6 | 3.5 | -179.7 | -61.4 | -175 | 0 | 0 | 0 | 113.2 | V29 Y36 L38 V54 T56 V68 E84 T85 F86 I95 | V29-L82 HydrophobicContact CG2-CD1 4.18Å; Y36-L82 PolarHBondContact O-N 2.97Å; L38-L82 HydrophobicContact CB-CD1 3.83Å; L38-L82 HydrophobicContact CB-CG 4Å; L38-L82 HydrophobicContact CD1-CD1 4.32Å; L38-L82 HydrophobicContact CD2-CD1 4.35Å; L38-L82 HydrophobicContact CG-CD1 4.4Å; V54-L82 HydrophobicContact CG1-CD2 4.2Å; T56-L82 HydrophobicContact CG2-CD2 4.3Å; V68-L82 HydrophobicContact CG1-CD2 4.06Å; V68-L82 HydrophobicContact CG2-CD2 4.03Å; L82-E84 PolarHBondContact O-N 3.11Å; L82-T85 WeakPolarHBondContact O-CA 3.29Å; L82-T85 VanDerWaalsContact O-CB 3.28Å; L82-T85 WeakPolarHBondContact O-CB 3.42Å; L82-T85 PolarHBondContact O-N 3.19Å; L82-F86 HydrophobicContact CB-CD2 4.38Å; L82-F86 HydrophobicContact CB-CE1 4.12Å; L82-F86 HydrophobicContact CB-CE2 3.87Å; L82-F86 HydrophobicContact CB-CZ 3.72Å; L82-F86 HydrophobicContact CD1-CE1 4.12Å; L82-F86 HydrophobicContact CD1-CZ 3.69Å; L82-F86 HydrophobicContact CG-CZ 4.38Å; L82-F86 WeakPolarHBondContact O-CG 3.47Å; L82-F86 PolarHBondContact O-N 2.85Å; L82-I95 HydrophobicContact CD1-CD1 3.76Å; L82-I95 HydrophobicContact CD1-CG1 4.29Å; L82-I95 HydrophobicContact CD1-CG2 4.4Å | ||
| 83 | T | 92.8 | Very high | 92.2 | Very high | 9 Ų | 9 | 55.4 Ų | 55.4 | 6% | 0.055 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.7 | -49.8 | -169.1 | -46.2 | 0 | 0 | 0 | 0 | 112.5 | G35 Y36 N81 T85 F86 R144 F145 | G35-T83 WeakPolarHBondContact CA-OG1 3.37Å; Y36-T83 HydrophobicContact CD2-CG2 4.3Å; Y36-T83 PolarHBondContact N-OG1 2.99Å; N81-T83 VanDerWaalsContact OD1-CB 3.25Å; N81-T83 WeakPolarHBondContact OD1-CB 3.34Å; N81-T83 PolarHBondContact OD1-N 2.73Å; N81-T83 PolarHBondContact OD1-OG1 3.38Å; T83-T85 PolarHBondContact O-N 2.66Å; T83-F86 PolarHBondContact O-N 2.96Å; T83-R144 VanDerWaalsContact CG2-CZ 3.44Å; T83-F145 HydrophobicContact CG2-CE1 3.6Å; T83-F145 HydrophobicContact CG2-CZ 3.77Å |
| 84 | E | 90.7 | Very high | 92.2 | Very high | 142 Ų | 142 | 50.2 Ų | 50.2 | 66% | 0.664 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -71.2 | -22.5 | 176.7 | -46.1 | -49.4 | 133.5 | 0 | 0 | 111.9 | L82 R144 | L82-E84 PolarHBondContact O-N 3.11Å; E84-R144 IonicContact OE1-CZ 2.72Å; E84-R144 IonicContact OE1-NH2 3.58Å; E84-R144 PolarHBondContact OE1-NH2 3.48Å |
| 85 | T | 91.4 | Very high | 92.1 | Very high | 35 Ų | 35 | 49.4 Ų | 49.4 | 22% | 0.215 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -72.9 | -34 | 178.5 | -45.3 | 0 | 0 | 0 | 0 | 112.3 | T56 V68 L82 T83 | T56-T85 HydrophobicContact CG2-CG2 3.95Å; T56-T85 VanDerWaalsContact OG1-CG2 3.27Å; T56-T85 WeakPolarHBondContact OG1-CG2 3.49Å; V68-T85 HydrophobicContact CG2-CG2 4.03Å; L82-T85 WeakPolarHBondContact O-CA 3.29Å; L82-T85 VanDerWaalsContact O-CB 3.28Å; L82-T85 WeakPolarHBondContact O-CB 3.42Å; L82-T85 PolarHBondContact O-N 3.19Å; T83-T85 PolarHBondContact O-N 2.66Å |
| 86 | F | 90.6 | Very high | 92.2 | Very high | 8 Ų | 8 | 45.8 Ų | 45.8 | 4% | 0.035 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -72.4 | -46.7 | 177.1 | -63.3 | -33.9 | 0 | 0 | 0 | 111.4 | Y36 L82 T83 D88 L89 F93 I95 Y114 P116 | Y36-F86 HydrophobicContact CD1-CD2 4.24Å; Y36-F86 AromaticContact CD1-CE2 3.74Å; Y36-F86 HydrophobicContact CD1-CE2 3.74Å; Y36-F86 AromaticContact CD2-CD2 3.89Å; Y36-F86 HydrophobicContact CD2-CD2 3.89Å; Y36-F86 HydrophobicContact CD2-CE2 4.16Å; Y36-F86 HydrophobicContact CE1-CE2 4.47Å; Y36-F86 HydrophobicContact CE2-CD2 4.44Å; Y36-F86 AromaticContact CG-CD2 3.78Å; Y36-F86 HydrophobicContact CG-CD2 3.78Å; Y36-F86 AromaticContact CG-CE2 3.55Å; Y36-F86 HydrophobicContact CG-CE2 3.55Å; L82-F86 HydrophobicContact CB-CD2 4.38Å; L82-F86 HydrophobicContact CB-CE1 4.12Å; L82-F86 HydrophobicContact CB-CE2 3.87Å; L82-F86 HydrophobicContact CB-CZ 3.72Å; L82-F86 HydrophobicContact CD1-CE1 4.12Å; L82-F86 HydrophobicContact CD1-CZ 3.69Å; L82-F86 HydrophobicContact CG-CZ 4.38Å; L82-F86 WeakPolarHBondContact O-CG 3.47Å; L82-F86 PolarHBondContact O-N 2.85Å; T83-F86 PolarHBondContact O-N 2.96Å; F86-D88 PolarHBondContact O-N 3.16Å; F86-L89 HydrophobicContact CB-CD2 3.94Å; F86-L89 HydrophobicContact CD2-CD2 4.36Å; F86-F93 HydrophobicContact CB-CE2 4.1Å; F86-F93 HydrophobicContact CB-CZ 4.2Å; F86-F93 HydrophobicContact CD1-CB 4.48Å; F86-F93 HydrophobicContact CD1-CD1 4.01Å; F86-F93 AromaticContact CD1-CD2 3.65Å; F86-F93 HydrophobicContact CD1-CD2 3.65Å; F86-F93 HydrophobicContact CD1-CE1 4.13Å; F86-F93 AromaticContact CD1-CE2 3.77Å; F86-F93 HydrophobicContact CD1-CE2 3.77Å; F86-F93 AromaticContact CD1-CG 3.78Å; F86-F93 HydrophobicContact CD1-CG 3.78Å; F86-F93 HydrophobicContact CD1-CZ 4.03Å; F86-F93 HydrophobicContact CE1-CB 4.17Å; F86-F93 HydrophobicContact CE1-CD1 4.41Å; F86-F93 HydrophobicContact CE1-CD2 4.07Å; F86-F93 AromaticContact CE1-CG 3.96Å; F86-F93 HydrophobicContact CE1-CG 3.96Å; F86-F93 HydrophobicContact CG-CD2 4.44Å; F86-F93 HydrophobicContact CG-CE2 4.25Å; F86-F93 VanDerWaalsContact O-CZ 3.29Å; F86-F93 WeakPolarHBondContact O-CZ 3.46Å; F86-I95 HydrophobicContact CE1-CD1 4.41Å; F86-I95 HydrophobicContact CZ-CD1 4.27Å; F86-Y114 HydrophobicContact CE1-CD1 4.29Å; F86-Y114 HydrophobicContact CE2-CD1 4.36Å; F86-Y114 AromaticContact CE2-CE1 3.83Å; F86-Y114 HydrophobicContact CE2-CE1 3.83Å; F86-Y114 AromaticContact CZ-CD1 3.73Å; F86-Y114 HydrophobicContact CZ-CD1 3.73Å; F86-Y114 AromaticContact CZ-CE1 3.63Å; F86-Y114 HydrophobicContact CZ-CE1 3.63Å; F86-P116 HydrophobicContact CB-CG 4.1Å; F86-P116 HydrophobicContact CD1-CG 3.85Å; F86-P116 HydrophobicContact CD2-CB 3.74Å; F86-P116 HydrophobicContact CD2-CG 3.49Å; F86-P116 VanDerWaalsContact CD2-CG 3.49Å; F86-P116 HydrophobicContact CE1-CG 4.09Å; F86-P116 HydrophobicContact CE2-CB 4.02Å; F86-P116 HydrophobicContact CE2-CG 3.73Å; F86-P116 HydrophobicContact CG-CB 4.24Å; F86-P116 HydrophobicContact CG-CG 3.56Å; F86-P116 HydrophobicContact CZ-CG 4.03Å |
| 87 | G | 84.4 | Confident | 92.5 | Very high | 57 Ų | 57 | 37.2 Ų | 37.2 | 59% | 0.588 | 21% | 0.213 | S | C | * | . | S | Bend | trans | 65.9 | -73.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 88 | D | 85.4 | Confident | 92.6 | Very high | 48 Ų | 48 | 34.7 Ų | 34.7 | 26% | 0.257 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -98.3 | 117.5 | 167 | -164.8 | -25.6 | 0 | 0 | 0 | 110.8 | F86 L90 | F86-D88 PolarHBondContact O-N 3.16Å; D88-L90 VanDerWaalsContact C-N 3.26Å; D88-L90 PolarHBondContact O-N 3.31Å; D88-L90 WeakPolarHBondContact OD1-CB 3.37Å; D88-L90 VanDerWaalsContact OD1-CG 3.29Å; D88-L90 WeakPolarHBondContact OD1-CG 3.48Å; D88-L90 PolarHBondContact OD1-N 3.34Å |
| 89 | L | 89.6 | Confident | 92.6 | Very high | 3 Ų | 3 | 33.1 Ų | 33.1 | 2% | 0.016 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75 | -12.1 | -177.9 | -54.8 | -177.9 | 0 | 0 | 0 | 113.5 | Y36 F86 H91 P116 I117 F145 N148 | Y36-L89 HydrophobicContact CD2-CD2 4.31Å; Y36-L89 HydrophobicContact CE2-CD1 4.08Å; Y36-L89 HydrophobicContact CE2-CD2 3.6Å; F86-L89 HydrophobicContact CB-CD2 3.94Å; F86-L89 HydrophobicContact CD2-CD2 4.36Å; L89-H91 VanDerWaalsContact C-N 3.34Å; L89-P116 HydrophobicContact CB-CB 4.13Å; L89-P116 HydrophobicContact CD2-CB 3.72Å; L89-P116 HydrophobicContact CD2-CG 4.47Å; L89-P116 HydrophobicContact CG-CB 4.47Å; L89-I117 HydrophobicContact CB-CB 4.09Å; L89-I117 VanDerWaalsContact O-CB 3.29Å; L89-I117 WeakPolarHBondContact O-CB 3.29Å; L89-I117 WeakPolarHBondContact O-CG2 3.45Å; L89-I117 PolarHBondContact O-N 3.26Å; L89-I117 VanDerWaalsContact O-N 3.11Å; L89-F145 HydrophobicContact CD1-CD1 3.86Å; L89-F145 HydrophobicContact CD1-CE1 4.26Å; L89-F145 HydrophobicContact CD1-CG 4.39Å; L89-N148 HydrophobicContact CD1-CB 3.83Å; L89-N148 HydrophobicContact CG-CB 4.42Å |
| 90 | L | 85.9 | Confident | 92.6 | Very high | 43 Ų | 43 | 31.8 Ų | 31.8 | 23% | 0.225 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -28.4 | 177.4 | -57.8 | 179.7 | 0 | 0 | 0 | 112.2 | D88 K115 I117 I152 | D88-L90 VanDerWaalsContact C-N 3.26Å; D88-L90 PolarHBondContact O-N 3.31Å; D88-L90 WeakPolarHBondContact OD1-CB 3.37Å; D88-L90 VanDerWaalsContact OD1-CG 3.29Å; D88-L90 WeakPolarHBondContact OD1-CG 3.48Å; D88-L90 PolarHBondContact OD1-N 3.34Å; L90-K115 WeakPolarHBondContact O-CE 3.34Å; L90-I117 HydrophobicContact CD2-CD1 3.39Å; L90-I117 HydrophobicContact CD2-CG2 4.45Å; L90-I152 HydrophobicContact CD2-CG1 4.45Å |
| 91 | H | 87.7 | Confident | 92.5 | Very high | 63 Ų | 63 | 34.6 Ų | 34.6 | 29% | 0.292 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -67.9 | 156.9 | -179.9 | -67.4 | 142.3 | 0 | 0 | 0 | 113.6 | N60 L89 F93 P116 | N60-H91 PolarHBondContact ND2-CD2 3.31Å; N60-H91 PolarHBondContact ND2-NE2 3.32Å; L89-H91 VanDerWaalsContact C-N 3.34Å; H91-F93 HydrophobicContact CB-CD2 4.37Å; H91-F93 HydrophobicContact CB-CE2 3.6Å; H91-F93 HydrophobicContact CB-CZ 3.91Å; H91-P116 VanDerWaalsContact O-CD 3.28Å; H91-P116 WeakPolarHBondContact O-CD 3.24Å |
| 92 | I | 90.9 | Very high | 92.2 | Very high | 54 Ų | 54 | 34.4 Ų | 34.4 | 28% | 0.277 | 20% | 0.201 | S | C | . | . | trans | -99.9 | 133.8 | 174.3 | -58.9 | -179.9 | 0 | 0 | 0 | 109.2 | Q59 E113 K115 | Q59-I92 HydrophobicContact CB-CB 4.38Å; Q59-I92 PolarHBondContact N-O 2.72Å; I92-E113 HydrophobicContact CG2-CB 4.2Å; I92-K115 HydrophobicContact CG1-CG 4.34Å | ||
| 93 | F | 93 | Very high | 91.9 | Very high | 9 Ų | 9 | 42.2 Ų | 42.2 | 4% | 0.039 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 138.9 | -175.9 | -67.3 | -91.1 | 0 | 0 | 0 | 112.3 | A57 F86 H91 Y114 P116 | A57-F93 WeakPolarHBondContact O-CA 3.36Å; F86-F93 HydrophobicContact CB-CE2 4.1Å; F86-F93 HydrophobicContact CB-CZ 4.2Å; F86-F93 HydrophobicContact CD1-CB 4.48Å; F86-F93 HydrophobicContact CD1-CD1 4.01Å; F86-F93 AromaticContact CD1-CD2 3.65Å; F86-F93 HydrophobicContact CD1-CD2 3.65Å; F86-F93 HydrophobicContact CD1-CE1 4.13Å; F86-F93 AromaticContact CD1-CE2 3.77Å; F86-F93 HydrophobicContact CD1-CE2 3.77Å; F86-F93 AromaticContact CD1-CG 3.78Å; F86-F93 HydrophobicContact CD1-CG 3.78Å; F86-F93 HydrophobicContact CD1-CZ 4.03Å; F86-F93 HydrophobicContact CE1-CB 4.17Å; F86-F93 HydrophobicContact CE1-CD1 4.41Å; F86-F93 HydrophobicContact CE1-CD2 4.07Å; F86-F93 AromaticContact CE1-CG 3.96Å; F86-F93 HydrophobicContact CE1-CG 3.96Å; F86-F93 HydrophobicContact CG-CD2 4.44Å; F86-F93 HydrophobicContact CG-CE2 4.25Å; F86-F93 VanDerWaalsContact O-CZ 3.29Å; F86-F93 WeakPolarHBondContact O-CZ 3.46Å; H91-F93 HydrophobicContact CB-CD2 4.37Å; H91-F93 HydrophobicContact CB-CE2 3.6Å; H91-F93 HydrophobicContact CB-CZ 3.91Å; F93-Y114 PolarHBondContact N-O 3.22Å; F93-Y114 WeakPolarHBondContact O-CB 3.21Å; F93-Y114 PolarHBondContact O-N 3.08Å; F93-P116 HydrophobicContact CD2-CG 3.89Å; F93-P116 HydrophobicContact CE2-CG 4.1Å |
| 94 | N | 94.6 | Very high | 91.8 | Very high | 48 Ų | 48 | 46.8 Ų | 46.8 | 26% | 0.257 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 125 | 165.5 | -66 | -49.7 | 0 | 0 | 0 | 108.6 | T56 A57 G112 E113 | T56-N94 CarbonylContact C-O 3.55Å; T56-N94 WeakPolarHBondContact CA-O 3.44Å; A57-N94 PolarHBondContact N-O 3.26Å; A57-N94 PolarHBondContact O-N 3.31Å; N94-G112 VanDerWaalsContact OD1-CA 3.23Å; N94-G112 WeakPolarHBondContact OD1-CA 3.24Å; N94-E113 PolarHBondContact OD1-N 2.84Å |
| 95 | I | 96 | Very high | 92 | Very high | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 129.7 | -176.7 | -55.3 | 160.4 | 0 | 0 | 0 | 108.5 | V29 L38 V54 H55 T56 L82 F86 K110 L111 Y114 | V29-I95 HydrophobicContact CG2-CD1 3.73Å; L38-I95 HydrophobicContact CD1-CG2 4.06Å; L38-I95 HydrophobicContact CD2-CG2 3.83Å; V54-I95 HydrophobicContact CG1-CG2 4.25Å; H55-I95 WeakPolarHBondContact O-CA 3.47Å; T56-I95 HydrophobicContact CG2-CG1 4.17Å; L82-I95 HydrophobicContact CD1-CD1 3.76Å; L82-I95 HydrophobicContact CD1-CG1 4.29Å; L82-I95 HydrophobicContact CD1-CG2 4.4Å; F86-I95 HydrophobicContact CE1-CD1 4.41Å; F86-I95 HydrophobicContact CZ-CD1 4.27Å; I95-K110 CarbonylContact O-C 3.6Å; I95-K110 WeakPolarHBondContact O-CA 3.4Å; I95-L111 HydrophobicContact CB-CB 4.36Å; I95-L111 HydrophobicContact CD1-CD2 4.17Å; I95-L111 PolarHBondContact N-O 3.17Å; I95-L111 PolarHBondContact O-N 3.13Å; I95-Y114 HydrophobicContact CD1-CD1 4.07Å; I95-Y114 HydrophobicContact CD1-CG 4.09Å |
| 96 | E | 96.4 | Very high | 92.2 | Very high | 16 Ų | 16 | 42.4 Ų | 42.4 | 8% | 0.075 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 132.8 | 174.6 | -58.8 | -165.4 | 156.4 | 0 | 0 | 111.4 | V54 H55 L65 K98 P108 A109 K110 | V54-E96 WeakPolarHBondContact CA-O 3.46Å; H55-E96 HydrophobicContact CB-CB 4.42Å; H55-E96 PolarHBondContact N-O 3.31Å; H55-E96 PolarHBondContact O-N 2.92Å; L65-E96 HydrophobicContact CD2-CG 4Å; E96-K98 WeakPolarHBondContact OE2-CE 3.29Å; E96-K98 IonicContact OE2-NZ 2.68Å; E96-K98 PolarHBondContact OE2-NZ 2.98Å; E96-P108 HydrophobicContact CB-CB 4.3Å; E96-A109 WeakPolarHBondContact CA-O 3.44Å; E96-K110 HydrophobicContact CG-CD 4.34Å; E96-K110 HydrophobicContact CG-CG 4.18Å; E96-K110 WeakPolarHBondContact OE1-CD 3.07Å; E96-K110 WeakPolarHBondContact OE1-CE 3.46Å; E96-K110 IonicContact OE1-NZ 3.35Å; E96-K110 PolarHBondContact OE1-NZ 3.14Å |
| 97 | V | 97.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 128.1 | 169.2 | -169.7 | 0 | 0 | 0 | 0 | 109.1 | P24 V27 L38 W40 F52 S53 V54 P108 A109 | P24-V97 HydrophobicContact CB-CB 4.42Å; P24-V97 HydrophobicContact CB-CG1 4.23Å; P24-V97 HydrophobicContact CG-CB 4.16Å; P24-V97 HydrophobicContact CG-CG1 3.88Å; V27-V97 HydrophobicContact CG1-CG2 4.07Å; V27-V97 HydrophobicContact CG2-CB 4.48Å; V27-V97 HydrophobicContact CG2-CG2 4.15Å; L38-V97 HydrophobicContact CD2-CG2 3.83Å; W40-V97 HydrophobicContact CD2-CG1 3.95Å; W40-V97 HydrophobicContact CE3-CG2 4.44Å; W40-V97 HydrophobicContact CG-CG1 4.07Å; F52-V97 HydrophobicContact CB-CG1 4.33Å; F52-V97 HydrophobicContact CD1-CG1 4.28Å; S53-V97 WeakPolarHBondContact O-CA 3.48Å; V54-V97 HydrophobicContact CG2-CG2 4.41Å; V97-P108 WeakPolarHBondContact O-CA 3.42Å; V97-A109 PolarHBondContact N-O 2.99Å; V97-A109 PolarHBondContact O-N 2.84Å |
| 98 | K | 96.4 | Very high | 92.9 | Very high | 40 Ų | 40 | 48 Ų | 48 | 17% | 0.174 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 134.7 | 178.3 | -70.1 | 164.3 | -172.9 | 157.1 | 0 | 109.6 | F52 S53 E96 H100 T105 P108 | F52-K98 CarbonylContact C-O 3.43Å; F52-K98 VanDerWaalsContact CA-O 3.24Å; F52-K98 WeakPolarHBondContact CA-O 3.43Å; S53-K98 PolarHBondContact N-O 3.15Å; S53-K98 PolarHBondContact O-N 3.05Å; E96-K98 WeakPolarHBondContact OE2-CE 3.29Å; E96-K98 IonicContact OE2-NZ 2.68Å; E96-K98 PolarHBondContact OE2-NZ 2.98Å; K98-H100 PolarHBondContact O-CD2 3.23Å; K98-T105 HydrophobicContact CB-CG2 4.34Å; K98-P108 HydrophobicContact CD-CB 4.49Å; K98-P108 HydrophobicContact CG-CB 3.89Å |
| 99 | A | 97 | Very high | 93.4 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 148.3 | 169.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | L21 P24 T50 Y51 F52 T105 S106 | L21-A99 VanDerWaalsContact CD2-C 3.42Å; L21-A99 HydrophobicContact CD2-CB 3.82Å; L21-A99 WeakPolarHBondContact CD2-O 3Å; L21-A99 HydrophobicContact CG-CB 4.21Å; P24-A99 HydrophobicContact CG-CB 4.45Å; T50-A99 HydrophobicContact CG2-CB 3.91Å; Y51-A99 CarbonylContact O-C 3.53Å; Y51-A99 WeakPolarHBondContact O-CA 3.33Å; F52-A99 HydrophobicContact CD1-CB 3.81Å; F52-A99 HydrophobicContact CE1-CB 3.58Å; F52-A99 HydrophobicContact CZ-CB 4.37Å; A99-T105 CarbonylContact O-C 3.48Å; A99-T105 WeakPolarHBondContact O-CA 3.41Å; A99-S106 PolarHBondContact N-OG 2.82Å; A99-S106 PolarHBondContact O-N 3.22Å |
| 100 | H | 95.9 | Very high | 93.7 | Very high | 26 Ų | 26 | 53 Ų | 53 | 12% | 0.12 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 138.2 | -178.6 | -57.9 | -84.3 | 0 | 0 | 0 | 111.7 | T50 Y51 S53 K98 N104 T105 | T50-H100 WeakPolarHBondContact CA-O 3.24Å; Y51-H100 HydrophobicContact CD1-CB 3.99Å; Y51-H100 WeakPolarHBondContact CD1-O 3.42Å; Y51-H100 HydrophobicContact CD2-CB 3.94Å; Y51-H100 AromaticContact CD2-CD2 3.99Å; Y51-H100 HydrophobicContact CE1-CB 3.5Å; Y51-H100 HydrophobicContact CE2-CB 3.49Å; Y51-H100 VanDerWaalsContact CE2-CB 3.49Å; Y51-H100 AromaticContact CE2-CD2 3.58Å; Y51-H100 AromaticContact CE2-CG 3.7Å; Y51-H100 HydrophobicContact CG-CB 4.21Å; Y51-H100 AromaticContact CZ-CG 3.84Å; Y51-H100 PolarHBondContact N-O 2.89Å; Y51-H100 PolarHBondContact O-N 2.86Å; S53-H100 PolarHBondContact OG-NE2 2.61Å; K98-H100 PolarHBondContact O-CD2 3.23Å; H100-N104 CarbonylContact C-O 3.6Å; H100-N104 WeakPolarHBondContact CA-O 3.3Å; H100-T105 VanDerWaalsContact CE1-CG2 3.43Å; H100-T105 WeakPolarHBondContact CE1-CG2 3.42Å; H100-T105 WeakPolarHBondContact ND1-CG2 3.46Å; H100-T105 PolarHBondContact ND1-OG1 2.94Å |
| 101 | L | 94.9 | Very high | 94.1 | Very high | 61 Ų | 61 | 53 Ų | 53 | 32% | 0.319 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 111.9 | 170.1 | -178.8 | 72.2 | 0 | 0 | 0 | 109.6 | L21 P47 N103 N104 | L21-L101 HydrophobicContact CD1-CB 4.24Å; L21-L101 HydrophobicContact CD2-CB 4.22Å; P47-L101 HydrophobicContact CB-CD2 4.17Å; P47-L101 HydrophobicContact CG-CD2 3.61Å; L101-N103 PolarHBondContact O-N 2.93Å; L101-N104 PolarHBondContact N-O 2.81Å; L101-N104 WeakPolarHBondContact O-CB 3.38Å; L101-N104 PolarHBondContact O-N 3.27Å |
| 102 | G | 89.8 | Confident | 94.3 | Very high | 59 Ų | 59 | 52.1 Ų | 52.1 | 61% | 0.608 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.1 | -123.9 | -171.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 103 | N | 88.6 | Confident | 94.4 | Very high | 164 Ų | 164 | 57.3 Ų | 57.3 | 88% | 0.877 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | -8 | 175.4 | -64.9 | -2 | 0 | 0 | 0 | 113.3 | L101 | L101-N103 PolarHBondContact O-N 2.93Š|
| 104 | N | 91.1 | Very high | 94.4 | Very high | 106 Ų | 106 | 57.7 Ų | 57.7 | 57% | 0.567 | 32% | 0.318 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 132.3 | -179.4 | -65.8 | -8 | 0 | 0 | 0 | 110.1 | H100 L101 | H100-N104 CarbonylContact C-O 3.6Å; H100-N104 WeakPolarHBondContact CA-O 3.3Å; L101-N104 PolarHBondContact N-O 2.81Å; L101-N104 WeakPolarHBondContact O-CB 3.38Å; L101-N104 PolarHBondContact O-N 3.27Å |
| 105 | T | 94.5 | Very high | 94.2 | Very high | 75 Ų | 75 | 57 Ų | 57 | 46% | 0.46 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 139.4 | 177.1 | -61.4 | 0 | 0 | 0 | 0 | 109.2 | K98 A99 H100 | K98-T105 HydrophobicContact CB-CG2 4.34Å; A99-T105 CarbonylContact O-C 3.48Å; A99-T105 WeakPolarHBondContact O-CA 3.41Å; H100-T105 VanDerWaalsContact CE1-CG2 3.43Å; H100-T105 WeakPolarHBondContact CE1-CG2 3.42Å; H100-T105 WeakPolarHBondContact ND1-CG2 3.46Å; H100-T105 PolarHBondContact ND1-OG1 2.94Å |
| 106 | S | 95.2 | Very high | 94.1 | Very high | 10 Ų | 10 | 57 Ų | 57 | 7% | 0.07 | 31% | 0.313 | C | S | . | . | P | Polyproline II helix | trans | -75.5 | 168.4 | 177.8 | 73.5 | 0 | 0 | 0 | 0 | 112.3 | L21 P22 A99 | L21-S106 WeakPolarHBondContact O-CA 3.43Å; L21-S106 WeakPolarHBondContact O-CB 2.98Å; P22-S106 WeakPolarHBondContact O-CB 3.24Å; A99-S106 PolarHBondContact N-OG 2.82Å; A99-S106 PolarHBondContact O-N 3.22Å |
| 107 | Q | 94.9 | Very high | 93.8 | Very high | 150 Ų | 150 | 56.2 Ų | 56.2 | 70% | 0.701 | 31% | 0.309 | S | S | * | . | P | Polyproline II helix | trans | -59.6 | 145.7 | 157.2 | -68.2 | -64.3 | -14.3 | 0 | 0 | 110 | A23 | A23-Q107 HydrophobicContact CB-CB 4.37Å; A23-Q107 WeakPolarHBondContact CB-O 3.28Å |
| 108 | P | 95.2 | Very high | 93.4 | Very high | 33 Ų | 33 | 59.1 Ų | 59.1 | 21% | 0.214 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -74 | 134.4 | 178.7 | 28.8 | -33.2 | 0 | 0 | 0 | 111.5 | E96 V97 K98 K110 | E96-P108 HydrophobicContact CB-CB 4.3Å; V97-P108 WeakPolarHBondContact O-CA 3.42Å; K98-P108 HydrophobicContact CD-CB 4.49Å; K98-P108 HydrophobicContact CG-CB 3.89Å; P108-K110 HydrophobicContact CB-CG 4.29Å; P108-K110 HydrophobicContact CG-CG 4.38Å |
| 109 | A | 96.6 | Very high | 93.1 | Very high | 13 Ų | 13 | 62.1 Ų | 62.1 | 11% | 0.107 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 122.2 | 161.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | P24 V27 E96 V97 | P24-A109 HydrophobicContact CB-CB 3.79Å; P24-A109 HydrophobicContact CG-CB 4.1Å; P24-A109 VanDerWaalsContact O-CB 3.29Å; P24-A109 WeakPolarHBondContact O-CB 3.48Å; V27-A109 HydrophobicContact CG2-CB 3.51Å; E96-A109 WeakPolarHBondContact CA-O 3.44Å; V97-A109 PolarHBondContact N-O 2.99Å; V97-A109 PolarHBondContact O-N 2.84Å |
| 110 | K | 95.1 | Very high | 92.8 | Very high | 141 Ų | 141 | 62.4 Ų | 62.4 | 61% | 0.613 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 139.5 | -172.9 | -50.9 | -160.5 | -174.4 | -150.9 | 0 | 111.8 | I95 E96 P108 | I95-K110 CarbonylContact O-C 3.6Å; I95-K110 WeakPolarHBondContact O-CA 3.4Å; E96-K110 HydrophobicContact CG-CD 4.34Å; E96-K110 HydrophobicContact CG-CG 4.18Å; E96-K110 WeakPolarHBondContact OE1-CD 3.07Å; E96-K110 WeakPolarHBondContact OE1-CE 3.46Å; E96-K110 IonicContact OE1-NZ 3.35Å; E96-K110 PolarHBondContact OE1-NZ 3.14Å; P108-K110 HydrophobicContact CB-CG 4.29Å; P108-K110 HydrophobicContact CG-CG 4.38Å |
| 111 | L | 95.3 | Very high | 92.6 | Very high | 45 Ų | 45 | 63.4 Ų | 63.4 | 24% | 0.236 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 100.8 | 164.2 | 176.6 | 61.6 | 0 | 0 | 0 | 106.7 | V27 V29 I95 Y114 | V27-L111 HydrophobicContact CG1-CB 4.25Å; V29-L111 HydrophobicContact CG2-CD2 3.84Å; I95-L111 HydrophobicContact CB-CB 4.36Å; I95-L111 HydrophobicContact CD1-CD2 4.17Å; I95-L111 PolarHBondContact N-O 3.17Å; I95-L111 PolarHBondContact O-N 3.13Å; L111-Y114 HydrophobicContact CD2-CD2 4.04Å; L111-Y114 HydrophobicContact CD2-CG 4.47Å |
| 112 | G | 92.1 | Very high | 92.5 | Very high | 44 Ų | 44 | 62.7 Ų | 62.7 | 45% | 0.454 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 160.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | N94 Y114 | N94-G112 VanDerWaalsContact OD1-CA 3.23Å; N94-G112 WeakPolarHBondContact OD1-CA 3.24Å; G112-Y114 PolarHBondContact O-N 2.82Å |
| 113 | E | 91.1 | Very high | 92.5 | Very high | 163 Ų | 163 | 60 Ų | 60 | 76% | 0.762 | 33% | 0.326 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 52.9 | 28.9 | 172.5 | -61.1 | 179.8 | -179 | 0 | 0 | 114.6 | I92 N94 K115 | I92-E113 HydrophobicContact CG2-CB 4.2Å; N94-E113 PolarHBondContact OD1-N 2.84Å; E113-K115 PolarHBondContact O-N 2.83Å |
| 114 | Y | 93 | Very high | 92.6 | Very high | 16 Ų | 16 | 55.5 Ų | 55.5 | 6% | 0.063 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 120.6 | -179.8 | -173.8 | -98.7 | 0 | 0 | 0 | 110.4 | V29 Y36 F86 F93 I95 L111 G112 P116 H119 | V29-Y114 HydrophobicContact CB-CE1 4.21Å; V29-Y114 HydrophobicContact CB-CE2 3.82Å; V29-Y114 HydrophobicContact CG1-CE1 3.97Å; V29-Y114 HydrophobicContact CG1-CE2 4.32Å; V29-Y114 VanDerWaalsContact CG1-OH 3.3Å; V29-Y114 WeakPolarHBondContact CG1-OH 3.42Å; V29-Y114 HydrophobicContact CG2-CE1 4.33Å; V29-Y114 HydrophobicContact CG2-CE2 4.25Å; Y36-Y114 HydrophobicContact CD1-CE1 4.44Å; F86-Y114 HydrophobicContact CE1-CD1 4.29Å; F86-Y114 HydrophobicContact CE2-CD1 4.36Å; F86-Y114 AromaticContact CE2-CE1 3.83Å; F86-Y114 HydrophobicContact CE2-CE1 3.83Å; F86-Y114 AromaticContact CZ-CD1 3.73Å; F86-Y114 HydrophobicContact CZ-CD1 3.73Å; F86-Y114 AromaticContact CZ-CE1 3.63Å; F86-Y114 HydrophobicContact CZ-CE1 3.63Å; F93-Y114 PolarHBondContact N-O 3.22Å; F93-Y114 WeakPolarHBondContact O-CB 3.21Å; F93-Y114 PolarHBondContact O-N 3.08Å; I95-Y114 HydrophobicContact CD1-CD1 4.07Å; I95-Y114 HydrophobicContact CD1-CG 4.09Å; L111-Y114 HydrophobicContact CD2-CD2 4.04Å; L111-Y114 HydrophobicContact CD2-CG 4.47Å; G112-Y114 PolarHBondContact O-N 2.82Å; Y114-P116 HydrophobicContact CD1-CG 4.09Å; Y114-P116 HydrophobicContact CE1-CB 4.17Å; Y114-P116 HydrophobicContact CE1-CG 3.96Å; Y114-H119 AromaticContact CD2-NE2 3.98Å; Y114-H119 AromaticContact CE2-CD2 3.4Å; Y114-H119 WeakPolarHBondContact CE2-CD2 3.32Å; Y114-H119 AromaticContact CE2-NE2 3.27Å; Y114-H119 VanDerWaalsContact CE2-NE2 3.27Å; Y114-H119 WeakPolarHBondContact CE2-NE2 3.19Å; Y114-H119 AromaticContact CZ-CD2 3.44Å; Y114-H119 VanDerWaalsContact CZ-CD2 3.44Å; Y114-H119 AromaticContact CZ-NE2 3.85Å; Y114-H119 PolarHBondContact OH-CD2 2.61Å |
| 115 | K | 91.8 | Very high | 92.5 | Very high | 34 Ų | 34 | 51.4 Ų | 51.4 | 15% | 0.148 | 29% | 0.285 | C | S | . | . | trans | -112 | 101.3 | -179.8 | -167.2 | -178.4 | -178.4 | -164.3 | 0 | 110.2 | L90 I92 E113 I117 A118 S200 | L90-K115 WeakPolarHBondContact O-CE 3.34Å; I92-K115 HydrophobicContact CG1-CG 4.34Å; E113-K115 PolarHBondContact O-N 2.83Å; K115-I117 VanDerWaalsContact C-N 3.32Å; K115-I117 HydrophobicContact CD-CG2 4.11Å; K115-I117 HydrophobicContact CG-CG2 3.9Å; K115-I117 PolarHBondContact O-N 2.87Å; K115-A118 HydrophobicContact CB-CB 4.36Å; K115-A118 WeakPolarHBondContact O-CB 3.39Å; K115-A118 PolarHBondContact O-N 2.84Å; K115-S200 PolarHBondContact NZ-O 3.17Å | ||
| 116 | P | 92.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -56.3 | -41.4 | -169.6 | -26.7 | 34.9 | 0 | 0 | 0 | 114 | Y36 F86 L89 H91 F93 Y114 A118 H119 | Y36-P116 HydrophobicContact CD1-CB 4.43Å; Y36-P116 HydrophobicContact CE1-CB 3.78Å; Y36-P116 WeakPolarHBondContact CE1-O 3.04Å; Y36-P116 HydrophobicContact CE2-CB 4.29Å; Y36-P116 VanDerWaalsContact OH-C 3.23Å; Y36-P116 PolarHBondContact OH-O 3.47Å; F86-P116 HydrophobicContact CB-CG 4.1Å; F86-P116 HydrophobicContact CD1-CG 3.85Å; F86-P116 HydrophobicContact CD2-CB 3.74Å; F86-P116 HydrophobicContact CD2-CG 3.49Å; F86-P116 VanDerWaalsContact CD2-CG 3.49Å; F86-P116 HydrophobicContact CE1-CG 4.09Å; F86-P116 HydrophobicContact CE2-CB 4.02Å; F86-P116 HydrophobicContact CE2-CG 3.73Å; F86-P116 HydrophobicContact CG-CB 4.24Å; F86-P116 HydrophobicContact CG-CG 3.56Å; F86-P116 HydrophobicContact CZ-CG 4.03Å; L89-P116 HydrophobicContact CB-CB 4.13Å; L89-P116 HydrophobicContact CD2-CB 3.72Å; L89-P116 HydrophobicContact CD2-CG 4.47Å; L89-P116 HydrophobicContact CG-CB 4.47Å; H91-P116 VanDerWaalsContact O-CD 3.28Å; H91-P116 WeakPolarHBondContact O-CD 3.24Å; F93-P116 HydrophobicContact CD2-CG 3.89Å; F93-P116 HydrophobicContact CE2-CG 4.1Å; Y114-P116 HydrophobicContact CD1-CG 4.09Å; Y114-P116 HydrophobicContact CE1-CB 4.17Å; Y114-P116 HydrophobicContact CE1-CG 3.96Å; P116-A118 VanDerWaalsContact C-N 3.25Å; P116-A118 PolarHBondContact O-N 2.86Å; P116-H119 PolarHBondContact O-N 2.86Å; P116-H119 VanDerWaalsContact O-N 3.16Å |
| 117 | I | 90.1 | Very high | 91.9 | Very high | 1 Ų | 1 | 51.8 Ų | 51.8 | 1% | 0.005 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -61.5 | -28.5 | 179.3 | -172.2 | 170.4 | 0 | 0 | 0 | 113.8 | L89 L90 K115 H119 L120 I152 L202 | L89-I117 HydrophobicContact CB-CB 4.09Å; L89-I117 VanDerWaalsContact O-CB 3.29Å; L89-I117 WeakPolarHBondContact O-CB 3.29Å; L89-I117 WeakPolarHBondContact O-CG2 3.45Å; L89-I117 PolarHBondContact O-N 3.26Å; L89-I117 VanDerWaalsContact O-N 3.11Å; L90-I117 HydrophobicContact CD2-CD1 3.39Å; L90-I117 HydrophobicContact CD2-CG2 4.45Å; K115-I117 VanDerWaalsContact C-N 3.32Å; K115-I117 HydrophobicContact CD-CG2 4.11Å; K115-I117 HydrophobicContact CG-CG2 3.9Å; K115-I117 PolarHBondContact O-N 2.87Å; I117-H119 PolarHBondContact O-N 2.97Å; I117-H119 VanDerWaalsContact O-N 3.1Å; I117-L120 HydrophobicContact CG1-CD2 4.43Å; I117-L120 VanDerWaalsContact O-CB 3.25Å; I117-L120 WeakPolarHBondContact O-CB 3.11Å; I117-L120 PolarHBondContact O-N 2.93Å; I117-I152 HydrophobicContact CD1-CD1 3.25Å; I117-I152 HydrophobicContact CD1-CG1 3.45Å; I117-I152 VanDerWaalsContact CD1-CG1 3.45Å; I117-I152 HydrophobicContact CG1-CD1 4.06Å; I117-L202 HydrophobicContact CD1-CD2 3.4Å; I117-L202 HydrophobicContact CG1-CD2 3.66Å |
| 118 | A | 89.4 | Confident | 91.5 | Very high | 60 Ų | 60 | 46.6 Ų | 46.6 | 50% | 0.496 | 27% | 0.267 | S | S | . | . | G | 310 helix | trans | -65.4 | -16.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | K115 P116 | K115-A118 HydrophobicContact CB-CB 4.36Å; K115-A118 WeakPolarHBondContact O-CB 3.39Å; K115-A118 PolarHBondContact O-N 2.84Å; P116-A118 VanDerWaalsContact C-N 3.25Å; P116-A118 PolarHBondContact O-N 2.86Å |
| 119 | H | 90.4 | Very high | 91 | Very high | 103 Ų | 103 | 47.9 Ų | 47.9 | 48% | 0.477 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -102.3 | -2.8 | 176.6 | -58.7 | -76.6 | 0 | 0 | 0 | 113.3 | L31 Y114 P116 I117 | L31-H119 WeakPolarHBondContact CD2-O 3.46Å; Y114-H119 AromaticContact CD2-NE2 3.98Å; Y114-H119 AromaticContact CE2-CD2 3.4Å; Y114-H119 WeakPolarHBondContact CE2-CD2 3.32Å; Y114-H119 AromaticContact CE2-NE2 3.27Å; Y114-H119 VanDerWaalsContact CE2-NE2 3.27Å; Y114-H119 WeakPolarHBondContact CE2-NE2 3.19Å; Y114-H119 AromaticContact CZ-CD2 3.44Å; Y114-H119 VanDerWaalsContact CZ-CD2 3.44Å; Y114-H119 AromaticContact CZ-NE2 3.85Å; Y114-H119 PolarHBondContact OH-CD2 2.61Å; P116-H119 PolarHBondContact O-N 2.86Å; P116-H119 VanDerWaalsContact O-N 3.16Å; I117-H119 PolarHBondContact O-N 2.97Å; I117-H119 VanDerWaalsContact O-N 3.1Å |
| 120 | L | 90.8 | Very high | 90.3 | Very high | 7 Ų | 7 | 49.4 Ų | 49.4 | 4% | 0.037 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -73 | 128.6 | 179 | -166.7 | 71.5 | 0 | 0 | 0 | 109.6 | L31 I117 F145 Y149 I152 F195 | L31-L120 HydrophobicContact CD2-CD1 4.08Å; I117-L120 HydrophobicContact CG1-CD2 4.43Å; I117-L120 VanDerWaalsContact O-CB 3.25Å; I117-L120 WeakPolarHBondContact O-CB 3.11Å; I117-L120 PolarHBondContact O-N 2.93Å; L120-F145 HydrophobicContact CD1-CB 4.19Å; L120-F145 HydrophobicContact CD1-CD2 3.85Å; L120-F145 HydrophobicContact CD1-CG 4.11Å; L120-Y149 HydrophobicContact CD1-CE2 4.11Å; L120-Y149 HydrophobicContact CD2-CD1 4.27Å; L120-Y149 HydrophobicContact CD2-CD2 4.39Å; L120-Y149 HydrophobicContact CD2-CE1 3.82Å; L120-Y149 HydrophobicContact CD2-CE2 3.97Å; L120-Y149 HydrophobicContact CG-CE1 4.12Å; L120-Y149 HydrophobicContact CG-CE2 4.18Å; L120-Y149 WeakPolarHBondContact CG-OH 3.29Å; L120-I152 HydrophobicContact CD2-CD1 4.24Å; L120-F195 WeakPolarHBondContact O-CE2 3.49Å |
| 121 | P | 92 | Very high | 89.5 | Confident | 46 Ų | 46 | 54.7 Ų | 54.7 | 30% | 0.299 | 30% | 0.302 | S | S | . | . | P | Polyproline II helix | trans | -70.8 | 150.2 | 178.7 | 29.2 | -34.6 | 0 | 0 | 0 | 111.1 | P141 Y142 Y149 | P121-P141 HydrophobicContact CB-CG 4.21Å; P121-P141 HydrophobicContact CG-CB 4.07Å; P121-P141 HydrophobicContact CG-CG 3.91Å; P121-Y142 HydrophobicContact CG-CD2 3.89Å; P121-Y142 HydrophobicContact CG-CE2 3.61Å; P121-Y149 VanDerWaalsContact O-CE1 3.29Å; P121-Y149 WeakPolarHBondContact O-CE1 3.22Å; P121-Y149 PolarHBondContact O-OH 3.12Å |
| 122 | L | 92.1 | Very high | 88.6 | Confident | 46 Ų | 46 | 57 Ų | 57 | 24% | 0.241 | 32% | 0.318 | C | S | . | . | P | Polyproline II helix | trans | -58.5 | 145.7 | 173.6 | -78.2 | 149.7 | 0 | 0 | 0 | 111.5 | F195 | L122-F195 HydrophobicContact CD2-CD1 4.38Å; L122-F195 HydrophobicContact CD2-CD2 3.82Å; L122-F195 HydrophobicContact CD2-CE1 4.48Å; L122-F195 HydrophobicContact CD2-CE2 3.93Å; L122-F195 HydrophobicContact CD2-CG 4.06Å; L122-F195 HydrophobicContact CD2-CZ 4.27Å; L122-F195 HydrophobicContact CG-CD2 4.12Å; L122-F195 HydrophobicContact CG-CE2 3.86Å; L122-F195 HydrophobicContact CG-CZ 4.35Å |
| 123 | P | 91.3 | Very high | 88 | Confident | 3 Ų | 3 | 58.7 Ų | 58.7 | 2% | 0.019 | 31% | 0.313 | C | S | . | . | P | Polyproline II helix | trans | -60.6 | 140.2 | 169.5 | 29.5 | -35.5 | 0 | 0 | 0 | 110 | F138 Y154 L174 I193 | P123-F138 HydrophobicContact CB-CB 4.4Å; P123-Y154 HydrophobicContact CG-CE1 4.06Å; P123-L174 HydrophobicContact CB-CD1 3.81Å; P123-L174 HydrophobicContact CG-CD1 3.8Å; P123-I193 HydrophobicContact CG-CD1 4.12Å |
| 124 | S | 89.6 | Confident | 87.6 | Confident | 69 Ų | 69 | 51 Ų | 51 | 48% | 0.483 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 145 | 168.4 | -64.3 | 0 | 0 | 0 | 0 | 109.5 | L139 | S124-L139 PolarHBondContact N-O 3.44Å; S124-L139 PolarHBondContact O-N 3.09Å |
| 125 | L | 89.1 | Confident | 87.3 | Confident | 21 Ų | 21 | 50.6 Ų | 50.6 | 11% | 0.11 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 131.6 | -180 | -173.9 | 65.2 | 0 | 0 | 0 | 109.8 | V127 L136 F138 V191 | L125-V127 HydrophobicContact CD2-CG2 3.69Å; L125-V127 HydrophobicContact CG-CG2 3.76Å; L125-L136 HydrophobicContact CD1-CB 4.1Å; L125-L136 HydrophobicContact CD1-CD2 4.3Å; L125-L136 HydrophobicContact CD2-CD2 4.46Å; L125-F138 HydrophobicContact CD1-CD1 3.71Å; L125-F138 HydrophobicContact CD1-CE1 3.45Å; L125-F138 VanDerWaalsContact CD1-CE1 3.45Å; L125-F138 HydrophobicContact CD1-CZ 4.18Å; L125-V191 HydrophobicContact CD2-CB 3.74Å; L125-V191 HydrophobicContact CD2-CG1 3.56Å |
| 126 | N | 88.6 | Confident | 87 | Confident | 77 Ų | 77 | 49.1 Ų | 49.1 | 41% | 0.412 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 126.8 | 165.4 | -178.1 | 3.9 | 0 | 0 | 0 | 108.4 | R137 L139 | N126-R137 HydrophobicContact CB-CB 4.34Å; N126-R137 PolarHBondContact N-O 3.19Å; N126-R137 PolarHBondContact O-N 2.72Å; N126-L139 HydrophobicContact CB-CD1 4.13Å |
| 127 | V | 88.8 | Confident | 86.6 | Confident | 15 Ų | 15 | 57.2 Ų | 57.2 | 9% | 0.091 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 117.1 | -174 | -176.6 | 0 | 0 | 0 | 0 | 109 | L125 L134 L136 V191 E210 I212 | L125-V127 HydrophobicContact CD2-CG2 3.69Å; L125-V127 HydrophobicContact CG-CG2 3.76Å; V127-L134 HydrophobicContact CG1-CD1 3.6Å; V127-L134 HydrophobicContact CG1-CD2 4.46Å; V127-L134 HydrophobicContact CG1-CG 4.2Å; V127-L136 HydrophobicContact CB-CD2 4.36Å; V127-L136 HydrophobicContact CG1-CD2 4.06Å; V127-L136 HydrophobicContact CG2-CD2 3.86Å; V127-V191 HydrophobicContact CG2-CB 4.32Å; V127-E210 HydrophobicContact CB-CG 4.23Å; V127-E210 HydrophobicContact CG2-CB 3.73Å; V127-E210 HydrophobicContact CG2-CG 3.82Å; V127-I212 HydrophobicContact CG1-CB 4.23Å; V127-I212 HydrophobicContact CG1-CG2 3.75Å |
| 128 | A | 86.4 | Confident | 86.5 | Confident | 41 Ų | 41 | 58.2 Ų | 58.2 | 34% | 0.339 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 163.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | C135 | A128-C135 HydrophobicContact CB-CB 4.34Å; A128-C135 PolarHBondContact N-O 3.02Å; A128-C135 PolarHBondContact O-N 3.4Å |
| 129 | S | 84.1 | Confident | 86.4 | Confident | 61 Ų | 61 | 58.9 Ų | 58.9 | 43% | 0.427 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 118 | 169.1 | 52.2 | 0 | 0 | 0 | 0 | 110.4 | ||
| 130 | C | 81.8 | Confident | 86.3 | Confident | 45 Ų | 45 | 55.3 Ų | 55.3 | 30% | 0.304 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 104.1 | 171.8 | -45.6 | 0 | 0 | 0 | 0 | 109.2 | T132 K133 C135 E178 | C130-T132 PolarHBondContact O-N 2.96Å; C130-T132 VanDerWaalsContact O-N 3.1Å; C130-K133 PolarHBondContact N-O 2.96Å; C130-K133 PolarHBondContact O-N 2.71Å; C130-C135 HydrophobicContact CB-CB 4.35Å; C130-C135 WeakPolarHBondContact CB-SG 3.08Å; C130-C135 WeakPolarHBondContact SG-CB 3.27Å; C130-C135 CovalentContact SG-SG 2.02Å; C130-C135 PolarHBondContact SG-SG 2.75Å; C130-E178 PolarHBondContact SG-OE1 3.21Å |
| 131 | R | 78.3 | Confident | 86.2 | Confident | 251 Ų | 251 | 57.8 Ų | 57.8 | 95% | 0.947 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.1 | -112.8 | -177 | -52.5 | 176.1 | -179 | 176.1 | 0.7 | 110.8 | ||
| 132 | T | 76.2 | Confident | 86.1 | Confident | 94 Ų | 94 | 58 Ų | 58 | 58% | 0.577 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.8 | 9.6 | 179 | 57 | 0 | 0 | 0 | 0 | 113.1 | C130 L183 | C130-T132 PolarHBondContact O-N 2.96Å; C130-T132 VanDerWaalsContact O-N 3.1Å; T132-L183 WeakPolarHBondContact O-CB 3.44Å; T132-L183 PolarHBondContact O-N 2.65Å |
| 133 | K | 81.1 | Confident | 85.8 | Confident | 79 Ų | 79 | 60.8 Ų | 60.8 | 34% | 0.343 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 142.4 | -166.7 | -75.4 | 163.6 | 155.2 | -157.3 | 0 | 111.9 | C130 V180 M181 D182 L183 | C130-K133 PolarHBondContact N-O 2.96Å; C130-K133 PolarHBondContact O-N 2.71Å; K133-V180 HydrophobicContact CB-CG1 4.11Å; K133-V180 HydrophobicContact CD-CG1 3.32Å; K133-V180 HydrophobicContact CG-CG1 3.78Å; K133-V180 VanDerWaalsContact NZ-CG1 3.28Å; K133-M181 CarbonylContact C-O 3.54Å; K133-M181 VanDerWaalsContact CA-O 3.27Å; K133-M181 WeakPolarHBondContact CA-O 3.46Å; K133-D182 WeakPolarHBondContact CE-OD1 3.25Å; K133-D182 WeakPolarHBondContact CG-OD1 3.2Å; K133-L183 WeakPolarHBondContact O-CD1 3.29Å |
| 134 | L | 82.9 | Confident | 85.6 | Confident | 1 Ų | 1 | 65.7 Ų | 65.7 | 1% | 0.005 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 142.9 | 167.6 | -159.8 | 66.9 | 0 | 0 | 0 | 107.6 | V127 L136 V180 M181 L183 V191 I212 | V127-L134 HydrophobicContact CG1-CD1 3.6Å; V127-L134 HydrophobicContact CG1-CD2 4.46Å; V127-L134 HydrophobicContact CG1-CG 4.2Å; L134-L136 HydrophobicContact CD2-CD2 3.97Å; L134-L136 HydrophobicContact CG-CD2 4.16Å; L134-V180 WeakPolarHBondContact O-CA 3.34Å; L134-M181 HydrophobicContact CB-CB 4.27Å; L134-M181 PolarHBondContact N-O 2.84Å; L134-L183 HydrophobicContact CB-CD2 3.83Å; L134-L183 HydrophobicContact CB-CG 4.27Å; L134-L183 HydrophobicContact CD1-CD2 3.99Å; L134-L183 HydrophobicContact CG-CD2 4.43Å; L134-V191 HydrophobicContact CD2-CG2 3.84Å; L134-I212 HydrophobicContact CD1-CG2 3.71Å |
| 135 | C | 84.9 | Confident | 85.5 | Confident | 8 Ų | 8 | 62.6 Ų | 62.6 | 5% | 0.054 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 119.6 | 175.6 | -70 | 0 | 0 | 0 | 0 | 108.4 | A128 C130 E178 | A128-C135 HydrophobicContact CB-CB 4.34Å; A128-C135 PolarHBondContact N-O 3.02Å; A128-C135 PolarHBondContact O-N 3.4Å; C130-C135 HydrophobicContact CB-CB 4.35Å; C130-C135 WeakPolarHBondContact CB-SG 3.08Å; C130-C135 WeakPolarHBondContact SG-CB 3.27Å; C130-C135 CovalentContact SG-SG 2.02Å; C130-C135 PolarHBondContact SG-SG 2.75Å; C135-E178 HydrophobicContact CB-CG 4.17Å; C135-E178 PolarHBondContact SG-OE1 2.83Å |
| 136 | L | 85.6 | Confident | 85.5 | Confident | 4 Ų | 4 | 65 Ų | 65 | 2% | 0.021 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 127.9 | 177.6 | -57.7 | -176.3 | 0 | 0 | 0 | 108.9 | L125 V127 L134 F138 L156 I179 V191 | L125-L136 HydrophobicContact CD1-CB 4.1Å; L125-L136 HydrophobicContact CD1-CD2 4.3Å; L125-L136 HydrophobicContact CD2-CD2 4.46Å; V127-L136 HydrophobicContact CB-CD2 4.36Å; V127-L136 HydrophobicContact CG1-CD2 4.06Å; V127-L136 HydrophobicContact CG2-CD2 3.86Å; L134-L136 HydrophobicContact CD2-CD2 3.97Å; L134-L136 HydrophobicContact CG-CD2 4.16Å; L136-F138 HydrophobicContact CB-CE2 4.45Å; L136-F138 HydrophobicContact CB-CZ 4.24Å; L136-L156 HydrophobicContact CD1-CD1 3.37Å; L136-L156 HydrophobicContact CD1-CD2 4.17Å; L136-L156 HydrophobicContact CD1-CG 4.42Å; L136-I179 HydrophobicContact CB-CB 4.28Å; L136-I179 HydrophobicContact CD1-CB 4.08Å; L136-I179 HydrophobicContact CD1-CD1 4.38Å; L136-I179 HydrophobicContact CD1-CG2 4.17Å; L136-I179 HydrophobicContact CG-CB 4.33Å; L136-V191 HydrophobicContact CD1-CG1 4.12Å; L136-V191 HydrophobicContact CD2-CB 4.42Å; L136-V191 HydrophobicContact CD2-CG1 4.29Å; L136-V191 HydrophobicContact CD2-CG2 4.2Å |
| 137 | R | 86.1 | Confident | 85.4 | Confident | 170 Ų | 170 | 68.1 Ų | 68.1 | 64% | 0.642 | 34% | 0.34 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 117.9 | 173.5 | -179.9 | 176.3 | -179.6 | 174.8 | 2.4 | 109.7 | N126 | N126-R137 HydrophobicContact CB-CB 4.34Å; N126-R137 PolarHBondContact N-O 3.19Å; N126-R137 PolarHBondContact O-N 2.72Å |
| 138 | F | 86.4 | Confident | 85.4 | Confident | 22 Ų | 22 | 68.4 Ų | 68.4 | 10% | 0.096 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 142 | 177.2 | -54.1 | -76.8 | 0 | 0 | 0 | 111.3 | P123 L125 L136 L156 I171 L174 I179 I193 | P123-F138 HydrophobicContact CB-CB 4.4Å; L125-F138 HydrophobicContact CD1-CD1 3.71Å; L125-F138 HydrophobicContact CD1-CE1 3.45Å; L125-F138 VanDerWaalsContact CD1-CE1 3.45Å; L125-F138 HydrophobicContact CD1-CZ 4.18Å; L136-F138 HydrophobicContact CB-CE2 4.45Å; L136-F138 HydrophobicContact CB-CZ 4.24Å; F138-L156 HydrophobicContact CE1-CD2 4.16Å; F138-L156 HydrophobicContact CZ-CD2 4.21Å; F138-I171 HydrophobicContact CE1-CD1 4.46Å; F138-I171 HydrophobicContact CE2-CD1 4.29Å; F138-I171 HydrophobicContact CZ-CD1 3.69Å; F138-L174 HydrophobicContact CB-CB 4.37Å; F138-L174 HydrophobicContact CB-CD1 3.93Å; F138-L174 HydrophobicContact CB-CD2 4.24Å; F138-L174 HydrophobicContact CB-CG 4.42Å; F138-L174 HydrophobicContact CD1-CD2 4.05Å; F138-L174 HydrophobicContact CD2-CB 4.42Å; F138-L174 HydrophobicContact CD2-CD2 3.87Å; F138-L174 HydrophobicContact CE1-CD2 4.42Å; F138-L174 HydrophobicContact CE2-CD2 4.26Å; F138-L174 HydrophobicContact CG-CD1 4.35Å; F138-L174 HydrophobicContact CG-CD2 3.76Å; F138-L174 HydrophobicContact CG-CG 4.44Å; F138-I179 HydrophobicContact CE2-CD1 3.96Å; F138-I179 HydrophobicContact CZ-CD1 3.94Å; F138-I193 HydrophobicContact CD1-CD1 3.8Å; F138-I193 HydrophobicContact CE1-CD1 3.37Å; F138-I193 HydrophobicContact CZ-CD1 4.25Å |
| 139 | L | 87.4 | Confident | 85.5 | Confident | 74 Ų | 74 | 66.4 Ų | 66.4 | 39% | 0.387 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 89.3 | -176.2 | -65.9 | 170.3 | 0 | 0 | 0 | 108.9 | S124 N126 | S124-L139 PolarHBondContact N-O 3.44Å; S124-L139 PolarHBondContact O-N 3.09Å; N126-L139 HydrophobicContact CB-CD1 4.13Å |
| 140 | P | 88.6 | Confident | 85.7 | Confident | 27 Ų | 27 | 65.2 Ų | 65.2 | 18% | 0.175 | 31% | 0.313 | C | S | . | . | trans | -56.1 | 131 | 173.3 | -31.5 | 40.9 | 0 | 0 | 0 | 112.6 | Y142 Y149 L174 | P140-Y142 PolarHBondContact O-N 3.24Å; P140-Y149 HydrophobicContact CB-CD2 3.62Å; P140-Y149 HydrophobicContact CB-CE2 3.66Å; P140-Y149 HydrophobicContact CB-CG 4.11Å; P140-Y149 HydrophobicContact CG-CD1 4.49Å; P140-Y149 HydrophobicContact CG-CD2 3.97Å; P140-Y149 HydrophobicContact CG-CE2 4.46Å; P140-Y149 HydrophobicContact CG-CG 4.01Å; P140-L174 HydrophobicContact CG-CD1 4.47Å | ||
| 141 | P | 88.9 | Confident | 85.9 | Confident | 60 Ų | 60 | 68.5 Ų | 68.5 | 39% | 0.39 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -60.5 | -26.2 | 176.9 | -27.6 | 36.1 | 0 | 0 | 0 | 114.1 | P121 | P121-P141 HydrophobicContact CB-CG 4.21Å; P121-P141 HydrophobicContact CG-CB 4.07Å; P121-P141 HydrophobicContact CG-CG 3.91Å |
| 142 | Y | 89 | Confident | 86.4 | Confident | 51 Ų | 51 | 56.6 Ų | 56.6 | 20% | 0.2 | 28% | 0.277 | C | S | . | . | trans | -127.7 | 98.8 | -176 | -59.3 | -44.2 | 0 | 0 | 0 | 109.6 | L31 Q33 P121 P140 R144 F145 | L31-Y142 HydrophobicContact CD2-CD2 4.26Å; L31-Y142 HydrophobicContact CD2-CE2 3.86Å; L31-Y142 HydrophobicContact CG-CD2 4.39Å; L31-Y142 HydrophobicContact CG-CE2 3.82Å; Q33-Y142 HydrophobicContact CG-CD1 4.08Å; Q33-Y142 HydrophobicContact CG-CE1 3.82Å; P121-Y142 HydrophobicContact CG-CD2 3.89Å; P121-Y142 HydrophobicContact CG-CE2 3.61Å; P140-Y142 PolarHBondContact O-N 3.24Å; Y142-R144 PolarHBondContact O-N 3.15Å; Y142-R144 VanDerWaalsContact O-N 3.14Å; Y142-F145 HydrophobicContact CD2-CD2 4.16Å; Y142-F145 HydrophobicContact CD2-CE2 4.31Å; Y142-F145 HydrophobicContact CG-CD2 4.28Å; Y142-F145 PolarHBondContact O-N 3.1Å; Y142-F145 VanDerWaalsContact O-N 3.08Å | ||
| 143 | S | 86.3 | Confident | 87.1 | Confident | 103 Ų | 103 | 54 Ų | 54 | 72% | 0.72 | 26% | 0.26 | S | S | * | . | G | 310 helix | trans | -56.4 | -30.6 | -177.5 | 53.3 | 0 | 0 | 0 | 0 | 113.9 | F145 Q146 | S143-F145 PolarHBondContact O-N 3.32Å; S143-F145 VanDerWaalsContact O-N 3.17Å; S143-Q146 WeakPolarHBondContact O-CB 3.4Å; S143-Q146 PolarHBondContact O-N 3.32Å; S143-Q146 VanDerWaalsContact O-N 3.13Å |
| 144 | R | 87.4 | Confident | 87.6 | Confident | 106 Ų | 106 | 50.3 Ų | 50.3 | 40% | 0.4 | 24% | 0.244 | S | C | . | . | G | 310 helix | trans | -63.5 | -18.1 | 178.4 | 74.1 | 170.7 | -59.3 | 164.9 | 9.3 | 114.8 | S34 T83 E84 Y142 | S34-R144 PolarHBondContact O-NH1 3.04Å; T83-R144 VanDerWaalsContact CG2-CZ 3.44Å; E84-R144 IonicContact OE1-CZ 2.72Å; E84-R144 IonicContact OE1-NH2 3.58Å; E84-R144 PolarHBondContact OE1-NH2 3.48Å; Y142-R144 PolarHBondContact O-N 3.15Å; Y142-R144 VanDerWaalsContact O-N 3.14Å |
| 145 | F | 88.8 | Confident | 88 | Confident | 5 Ų | 5 | 51 Ų | 51 | 2% | 0.022 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -103.5 | 13.1 | 178.8 | -59.7 | -57.4 | 0 | 0 | 0 | 112.3 | L31 Y36 T83 L89 L120 Y142 S143 E147 N148 Y149 | L31-F145 HydrophobicContact CD1-CE2 3.68Å; L31-F145 HydrophobicContact CD1-CZ 3.97Å; Y36-F145 HydrophobicContact CD2-CE1 4.2Å; Y36-F145 AromaticContact CD2-CZ 3.85Å; Y36-F145 HydrophobicContact CD2-CZ 3.85Å; Y36-F145 AromaticContact CE2-CE1 3.84Å; Y36-F145 HydrophobicContact CE2-CE1 3.84Å; Y36-F145 HydrophobicContact CE2-CE2 4.34Å; Y36-F145 AromaticContact CE2-CZ 3.64Å; Y36-F145 HydrophobicContact CE2-CZ 3.64Å; T83-F145 HydrophobicContact CG2-CE1 3.6Å; T83-F145 HydrophobicContact CG2-CZ 3.77Å; L89-F145 HydrophobicContact CD1-CD1 3.86Å; L89-F145 HydrophobicContact CD1-CE1 4.26Å; L89-F145 HydrophobicContact CD1-CG 4.39Å; L120-F145 HydrophobicContact CD1-CB 4.19Å; L120-F145 HydrophobicContact CD1-CD2 3.85Å; L120-F145 HydrophobicContact CD1-CG 4.11Å; Y142-F145 HydrophobicContact CD2-CD2 4.16Å; Y142-F145 HydrophobicContact CD2-CE2 4.31Å; Y142-F145 HydrophobicContact CG-CD2 4.28Å; Y142-F145 PolarHBondContact O-N 3.1Å; Y142-F145 VanDerWaalsContact O-N 3.08Å; S143-F145 PolarHBondContact O-N 3.32Å; S143-F145 VanDerWaalsContact O-N 3.17Å; F145-E147 VanDerWaalsContact C-N 3.26Å; F145-E147 PolarHBondContact O-N 3.11Å; F145-N148 HydrophobicContact CB-CB 4.48Å; F145-N148 WeakPolarHBondContact O-CA 3.44Å; F145-N148 WeakPolarHBondContact O-CB 3.41Å; F145-N148 PolarHBondContact O-N 3.29Å; F145-Y149 HydrophobicContact CB-CD2 4.07Å; F145-Y149 HydrophobicContact CB-CE2 3.91Å; F145-Y149 WeakPolarHBondContact O-CD2 3.18Å; F145-Y149 PolarHBondContact O-N 3.16Å |
| 146 | Q | 88.1 | Confident | 88.3 | Confident | 72 Ų | 72 | 50.6 Ų | 50.6 | 34% | 0.336 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -49.8 | -45.8 | -179.3 | -176.2 | 68.2 | 53.1 | 0 | 0 | 112.1 | S143 N148 Y149 D150 | S143-Q146 WeakPolarHBondContact O-CB 3.4Å; S143-Q146 PolarHBondContact O-N 3.32Å; S143-Q146 VanDerWaalsContact O-N 3.13Å; Q146-N148 PolarHBondContact O-N 3.27Å; Q146-Y149 CarbonylContact O-C 3.6Å; Q146-Y149 PolarHBondContact O-N 3.04Å; Q146-Y149 VanDerWaalsContact O-N 3.17Å; Q146-D150 PolarHBondContact NE2-OD1 2.6Å; Q146-D150 WeakPolarHBondContact O-CB 3.23Å; Q146-D150 VanDerWaalsContact O-CG 3.25Å; Q146-D150 PolarHBondContact O-N 3.22Å |
| 147 | E | 87.2 | Confident | 88.6 | Confident | 142 Ų | 142 | 53.2 Ų | 53.2 | 66% | 0.664 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -64.4 | -25.5 | 178.1 | -64.3 | -173.6 | -167.1 | 0 | 0 | 113.9 | F145 K151 | F145-E147 VanDerWaalsContact C-N 3.26Å; F145-E147 PolarHBondContact O-N 3.11Å; E147-K151 WeakPolarHBondContact O-CD 3.23Å; E147-K151 VanDerWaalsContact O-CG 3.24Å; E147-K151 WeakPolarHBondContact O-CG 3.08Å |
| 148 | N | 88.1 | Confident | 88.8 | Confident | 20 Ų | 20 | 45.4 Ų | 45.4 | 11% | 0.107 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -78.4 | -44 | 173 | -54 | 103.9 | 0 | 0 | 0 | 110.3 | L89 F145 Q146 D150 K151 I152 | L89-N148 HydrophobicContact CD1-CB 3.83Å; L89-N148 HydrophobicContact CG-CB 4.42Å; F145-N148 HydrophobicContact CB-CB 4.48Å; F145-N148 WeakPolarHBondContact O-CA 3.44Å; F145-N148 WeakPolarHBondContact O-CB 3.41Å; F145-N148 PolarHBondContact O-N 3.29Å; Q146-N148 PolarHBondContact O-N 3.27Å; N148-D150 PolarHBondContact O-N 3.25Å; N148-K151 PolarHBondContact O-N 3.05Å; N148-I152 WeakPolarHBondContact O-CD1 3.4Å; N148-I152 VanDerWaalsContact O-CG1 3.22Å; N148-I152 WeakPolarHBondContact O-CG1 3.38Å |
| 149 | Y | 88.5 | Confident | 89 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -57.2 | -35.8 | 171 | -73.1 | -79.1 | 0 | 0 | 0 | 112.2 | L120 P121 P140 F145 Q146 K151 Y154 L174 F195 | L120-Y149 HydrophobicContact CD1-CE2 4.11Å; L120-Y149 HydrophobicContact CD2-CD1 4.27Å; L120-Y149 HydrophobicContact CD2-CD2 4.39Å; L120-Y149 HydrophobicContact CD2-CE1 3.82Å; L120-Y149 HydrophobicContact CD2-CE2 3.97Å; L120-Y149 HydrophobicContact CG-CE1 4.12Å; L120-Y149 HydrophobicContact CG-CE2 4.18Å; L120-Y149 WeakPolarHBondContact CG-OH 3.29Å; P121-Y149 VanDerWaalsContact O-CE1 3.29Å; P121-Y149 WeakPolarHBondContact O-CE1 3.22Å; P121-Y149 PolarHBondContact O-OH 3.12Å; P140-Y149 HydrophobicContact CB-CD2 3.62Å; P140-Y149 HydrophobicContact CB-CE2 3.66Å; P140-Y149 HydrophobicContact CB-CG 4.11Å; P140-Y149 HydrophobicContact CG-CD1 4.49Å; P140-Y149 HydrophobicContact CG-CD2 3.97Å; P140-Y149 HydrophobicContact CG-CE2 4.46Å; P140-Y149 HydrophobicContact CG-CG 4.01Å; F145-Y149 HydrophobicContact CB-CD2 4.07Å; F145-Y149 HydrophobicContact CB-CE2 3.91Å; F145-Y149 WeakPolarHBondContact O-CD2 3.18Å; F145-Y149 PolarHBondContact O-N 3.16Å; Q146-Y149 CarbonylContact O-C 3.6Å; Q146-Y149 PolarHBondContact O-N 3.04Å; Q146-Y149 VanDerWaalsContact O-N 3.17Å; Y149-K151 PolarHBondContact O-N 2.85Å; Y149-Y154 WeakPolarHBondContact CA-OH 3.48Å; Y149-Y154 WeakPolarHBondContact CD1-OH 3.45Å; Y149-Y154 WeakPolarHBondContact O-CE2 3.5Å; Y149-Y154 PolarHBondContact O-OH 3.21Å; Y149-L174 HydrophobicContact CD1-CD1 4.2Å; Y149-L174 HydrophobicContact CG-CD1 4.43Å; Y149-F195 HydrophobicContact CE1-CE1 4.42Å; Y149-F195 HydrophobicContact CE1-CZ 4.33Å |
| 150 | D | 88.4 | Confident | 89.1 | Confident | 35 Ų | 35 | 46.6 Ų | 46.6 | 19% | 0.187 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -6.7 | 177.2 | -68.5 | -1.4 | 0 | 0 | 0 | 113.9 | Q146 N148 S173 K175 | Q146-D150 PolarHBondContact NE2-OD1 2.6Å; Q146-D150 WeakPolarHBondContact O-CB 3.23Å; Q146-D150 VanDerWaalsContact O-CG 3.25Å; Q146-D150 PolarHBondContact O-N 3.22Å; N148-D150 PolarHBondContact O-N 3.25Å; D150-S173 WeakPolarHBondContact CA-OG 3.39Å; D150-S173 WeakPolarHBondContact O-CB 3.41Å; D150-S173 PolarHBondContact O-OG 2.62Å; D150-K175 HydrophobicContact CB-CB 4.34Å |
| 151 | K | 86.6 | Confident | 88.9 | Confident | 115 Ų | 115 | 49 Ų | 49 | 50% | 0.5 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.9 | -5.1 | 178.5 | -73.8 | 170 | -173.8 | 176.1 | 0 | 114.3 | E147 N148 Y149 | E147-K151 WeakPolarHBondContact O-CD 3.23Å; E147-K151 VanDerWaalsContact O-CG 3.24Å; E147-K151 WeakPolarHBondContact O-CG 3.08Å; N148-K151 PolarHBondContact O-N 3.05Å; Y149-K151 PolarHBondContact O-N 2.85Å |
| 152 | I | 88.4 | Confident | 88.4 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -98.3 | 148.4 | -173.7 | -62 | 156.5 | 0 | 0 | 0 | 109.8 | L90 I117 L120 N148 Y154 S173 F195 D197 L202 | L90-I152 HydrophobicContact CD2-CG1 4.45Å; I117-I152 HydrophobicContact CD1-CD1 3.25Å; I117-I152 HydrophobicContact CD1-CG1 3.45Å; I117-I152 VanDerWaalsContact CD1-CG1 3.45Å; I117-I152 HydrophobicContact CG1-CD1 4.06Å; L120-I152 HydrophobicContact CD2-CD1 4.24Å; N148-I152 WeakPolarHBondContact O-CD1 3.4Å; N148-I152 VanDerWaalsContact O-CG1 3.22Å; N148-I152 WeakPolarHBondContact O-CG1 3.38Å; I152-Y154 HydrophobicContact CB-CE2 3.84Å; I152-Y154 HydrophobicContact CG2-CE1 4.29Å; I152-Y154 HydrophobicContact CG2-CE2 4.07Å; I152-Y154 VanDerWaalsContact O-CD2 3.23Å; I152-Y154 WeakPolarHBondContact O-CD2 3.4Å; I152-Y154 WeakPolarHBondContact O-CE2 3.03Å; I152-S173 PolarHBondContact O-N 3.5Å; I152-F195 HydrophobicContact CD1-CE1 4.26Å; I152-F195 HydrophobicContact CG2-CD1 3.76Å; I152-F195 HydrophobicContact CG2-CE1 4.36Å; I152-D197 HydrophobicContact CG2-CB 4.33Å; I152-L202 HydrophobicContact CG2-CD2 4.22Å |
| 153 | D | 89.8 | Confident | 87.7 | Confident | 40 Ų | 40 | 53.9 Ų | 53.9 | 21% | 0.214 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 142.6 | 169.7 | -69.3 | -17.1 | 0 | 0 | 0 | 111.5 | I171 H172 N196 D197 | D153-I171 WeakPolarHBondContact CA-O 2.9Å; D153-H172 WeakPolarHBondContact OD1-CA 3.45Å; D153-H172 IonicContact OD1-CE1 3.87Å; D153-H172 IonicContact OD1-CG 3.54Å; D153-H172 IonicContact OD1-ND1 2.71Å; D153-H172 PolarHBondContact OD1-ND1 3.38Å; D153-H172 IonicContact OD2-CE1 2.66Å; D153-H172 IonicContact OD2-ND1 3.82Å; D153-H172 PolarHBondContact OD2-ND1 2.02Å; D153-N196 WeakPolarHBondContact CB-O 3.48Å; D153-N196 CarbonylContact O-C 3.52Å; D153-N196 PolarHBondContact O-N 2.91Å; D153-D197 HydrophobicContact CB-CB 4.16Å |
| 154 | Y | 91.6 | Very high | 87 | Confident | 1 Ų | 1 | 51 Ų | 51 | 0% | 0.004 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 158.6 | -174.6 | -63.1 | -86.6 | 0 | 0 | 0 | 111.1 | P123 Y149 I152 E170 I171 L174 I193 R194 F195 | P123-Y154 HydrophobicContact CG-CE1 4.06Å; Y149-Y154 WeakPolarHBondContact CA-OH 3.48Å; Y149-Y154 WeakPolarHBondContact CD1-OH 3.45Å; Y149-Y154 WeakPolarHBondContact O-CE2 3.5Å; Y149-Y154 PolarHBondContact O-OH 3.21Å; I152-Y154 HydrophobicContact CB-CE2 3.84Å; I152-Y154 HydrophobicContact CG2-CE1 4.29Å; I152-Y154 HydrophobicContact CG2-CE2 4.07Å; I152-Y154 VanDerWaalsContact O-CD2 3.23Å; I152-Y154 WeakPolarHBondContact O-CD2 3.4Å; I152-Y154 WeakPolarHBondContact O-CE2 3.03Å; Y154-E170 CarbonylContact O-C 3.53Å; Y154-E170 WeakPolarHBondContact O-CA 3.4Å; Y154-I171 PolarHBondContact N-O 3.17Å; Y154-I171 PolarHBondContact O-N 2.87Å; Y154-L174 HydrophobicContact CD1-CD2 4.32Å; Y154-L174 HydrophobicContact CD2-CD2 3.46Å; Y154-L174 VanDerWaalsContact CD2-CD2 3.46Å; Y154-L174 HydrophobicContact CD2-CG 4.08Å; Y154-L174 HydrophobicContact CE1-CD1 4.49Å; Y154-L174 HydrophobicContact CE1-CD2 4.24Å; Y154-L174 HydrophobicContact CE2-CD1 4.15Å; Y154-L174 HydrophobicContact CE2-CD2 3.38Å; Y154-L174 HydrophobicContact CE2-CG 3.47Å; Y154-L174 VanDerWaalsContact CE2-CG 3.47Å; Y154-L174 HydrophobicContact CG-CD2 3.95Å; Y154-I193 HydrophobicContact CD1-CD1 3.63Å; Y154-I193 HydrophobicContact CD1-CG1 3.94Å; Y154-I193 HydrophobicContact CE1-CD1 4.42Å; Y154-I193 HydrophobicContact CG-CD1 3.94Å; Y154-I193 HydrophobicContact CG-CG1 4.48Å; Y154-R194 WeakPolarHBondContact CA-O 3.48Å; Y154-F195 AromaticContact CD1-CD1 4Å; Y154-F195 HydrophobicContact CD1-CD1 4Å; Y154-F195 AromaticContact CE1-CD1 3.37Å; Y154-F195 HydrophobicContact CE1-CD1 3.37Å; Y154-F195 AromaticContact CE1-CE1 3.51Å; Y154-F195 HydrophobicContact CE1-CE1 3.51Å |
| 155 | E | 92.3 | Very high | 86.7 | Confident | 15 Ų | 15 | 52.1 Ų | 52.1 | 7% | 0.07 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 124.4 | 170.4 | -176.2 | -173.2 | 143.9 | 0 | 0 | 109.2 | T168 I193 R194 N196 F206 | E155-T168 HydrophobicContact CG-CG2 3.39Å; E155-T168 VanDerWaalsContact OE1-CG2 3.28Å; E155-T168 WeakPolarHBondContact OE1-CG2 3.46Å; E155-I193 CarbonylContact O-C 3.58Å; E155-I193 WeakPolarHBondContact O-CA 3.41Å; E155-R194 HydrophobicContact CB-CG 3.84Å; E155-R194 PolarHBondContact N-O 2.88Å; E155-R194 PolarHBondContact O-N 3.43Å; E155-R194 IonicContact OE1-CZ 3.2Å; E155-R194 IonicContact OE1-NE 3.71Å; E155-R194 PolarHBondContact OE1-NE 2.83Å; E155-R194 IonicContact OE1-NH2 3.62Å; E155-R194 PolarHBondContact OE1-NH2 2.87Å; E155-R194 IonicContact OE2-CZ 2.76Å; E155-R194 IonicContact OE2-NE 2.71Å; E155-R194 PolarHBondContact OE2-NE 2.81Å; E155-R194 IonicContact OE2-NH2 3.56Å; E155-R194 PolarHBondContact OE2-NH2 3.02Å; E155-N196 HydrophobicContact CB-CB 3.66Å; E155-N196 PolarHBondContact OE2-ND2 2.89Å; E155-F206 HydrophobicContact CG-CZ 4.41Å |
| 156 | L | 91.7 | Very high | 86.5 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 144.2 | 169.4 | -65.2 | 172.5 | 0 | 0 | 0 | 110.3 | L136 F138 I158 T168 L169 I171 I179 V191 S192 I193 | L136-L156 HydrophobicContact CD1-CD1 3.37Å; L136-L156 HydrophobicContact CD1-CD2 4.17Å; L136-L156 HydrophobicContact CD1-CG 4.42Å; F138-L156 HydrophobicContact CE1-CD2 4.16Å; F138-L156 HydrophobicContact CZ-CD2 4.21Å; L156-I158 HydrophobicContact CB-CD1 3.84Å; L156-I158 HydrophobicContact CD1-CD1 4.45Å; L156-T168 WeakPolarHBondContact O-CA 3Å; L156-L169 HydrophobicContact CB-CB 4.33Å; L156-L169 HydrophobicContact CD1-CD2 4.22Å; L156-L169 PolarHBondContact N-O 3.39Å; L156-L169 PolarHBondContact O-N 2.83Å; L156-I171 HydrophobicContact CD1-CD1 3.66Å; L156-I171 HydrophobicContact CD1-CG1 4.07Å; L156-I171 HydrophobicContact CD2-CD1 4.08Å; L156-I171 HydrophobicContact CG-CD1 3.55Å; L156-I171 HydrophobicContact CG-CG1 4.13Å; L156-I179 HydrophobicContact CD1-CD1 3.7Å; L156-I179 HydrophobicContact CD1-CG2 4.45Å; L156-V191 HydrophobicContact CD2-CG1 3.86Å; L156-S192 CarbonylContact C-O 3.59Å; L156-S192 WeakPolarHBondContact CA-O 3.44Å; L156-I193 HydrophobicContact CD2-CB 4Å; L156-I193 HydrophobicContact CD2-CD1 4.21Å; L156-I193 HydrophobicContact CD2-CG1 4.3Å |
| 157 | Q | 92.1 | Very high | 86.5 | Confident | 60 Ų | 60 | 56.6 Ų | 56.6 | 28% | 0.28 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 113.6 | 165.2 | -177.3 | 178 | 101.4 | 0 | 0 | 108.7 | P166 E167 V191 S192 F206 | Q157-P166 HydrophobicContact CG-CB 3.57Å; Q157-P166 HydrophobicContact CG-CG 4.42Å; Q157-E167 WeakPolarHBondContact CA-O 3.39Å; Q157-V191 WeakPolarHBondContact O-CA 3.38Å; Q157-S192 PolarHBondContact N-O 2.82Å; Q157-S192 PolarHBondContact O-N 2.79Å; Q157-F206 HydrophobicContact CB-CD1 3.94Å; Q157-F206 HydrophobicContact CB-CE1 3.49Å; Q157-F206 VanDerWaalsContact CB-CE1 3.49Å; Q157-F206 HydrophobicContact CB-CZ 3.86Å |
| 158 | I | 89.8 | Confident | 86.6 | Confident | 5 Ų | 5 | 53.4 Ų | 53.4 | 3% | 0.026 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 119.4 | 177.7 | -57.8 | 95.3 | 0 | 0 | 0 | 108.9 | L156 P166 E167 L169 M181 Y189 V191 | L156-I158 HydrophobicContact CB-CD1 3.84Å; L156-I158 HydrophobicContact CD1-CD1 4.45Å; I158-P166 CarbonylContact O-C 3.58Å; I158-P166 WeakPolarHBondContact O-CA 3.43Å; I158-E167 PolarHBondContact N-O 2.8Å; I158-E167 PolarHBondContact O-N 3.2Å; I158-L169 HydrophobicContact CD1-CB 4.16Å; I158-M181 HydrophobicContact CD1-CE 4.02Å; I158-M181 HydrophobicContact CD1-SD 3.67Å; I158-M181 HydrophobicContact CG1-CE 4.3Å; I158-M181 HydrophobicContact CG1-SD 3.72Å; I158-Y189 HydrophobicContact CG2-CD1 4.07Å; I158-V191 HydrophobicContact CB-CG2 4.45Å; I158-V191 HydrophobicContact CG1-CG1 4.19Å; I158-V191 HydrophobicContact CG1-CG2 3.93Å; I158-V191 HydrophobicContact CG2-CG2 4.24Å |
| 159 | K | 90.8 | Very high | 86.6 | Confident | 111 Ų | 111 | 55.5 Ų | 55.5 | 48% | 0.483 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 117.2 | 176.7 | -171.7 | 172.7 | -175.4 | 171.5 | 0 | 110.6 | G164 C190 | K159-G164 WeakPolarHBondContact CE-O 3.5Å; K159-C190 PolarHBondContact N-O 3Å; K159-C190 PolarHBondContact O-N 2.88Å |
| 160 | S | 89 | Confident | 86.6 | Confident | 11 Ų | 11 | 59.7 Ų | 59.7 | 8% | 0.077 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 147.4 | 169.7 | 96.4 | 0 | 0 | 0 | 0 | 111.4 | H162 T163 G164 N188 | S160-H162 PolarHBondContact O-N 3.25Å; S160-H162 PolarHBondContact OG-N 2.84Å; S160-T163 PolarHBondContact OG-N 2.97Å; S160-T163 VanDerWaalsContact OG-N 3.09Å; S160-T163 PolarHBondContact OG-OG1 2.95Å; S160-G164 PolarHBondContact O-N 3.28Å; S160-N188 WeakPolarHBondContact CA-O 2.94Å |
| 161 | S | 85.1 | Confident | 86.5 | Confident | 78 Ų | 78 | 58.6 Ų | 58.6 | 55% | 0.545 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -18.2 | 177 | 58.2 | 0 | 0 | 0 | 0 | 114.8 | N188 | S161-N188 PolarHBondContact N-O 2.71Å; S161-N188 PolarHBondContact OG-N 3.26Å |
| 162 | H | 78.3 | Confident | 86.3 | Confident | 134 Ų | 134 | 59.3 Ų | 59.3 | 62% | 0.62 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99 | -42.6 | -174.6 | 176.9 | -70.8 | 0 | 0 | 0 | 112.9 | S160 R187 | S160-H162 PolarHBondContact O-N 3.25Å; S160-H162 PolarHBondContact OG-N 2.84Å; H162-R187 PolarHBondContact CD2-NH2 2.89Å |
| 163 | T | 73.8 | Confident | 85.8 | Confident | 78 Ų | 78 | 60.5 Ų | 60.5 | 48% | 0.479 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -30.3 | -176.2 | 52.7 | 0 | 0 | 0 | 0 | 112.1 | S160 I165 | S160-T163 PolarHBondContact OG-N 2.97Å; S160-T163 VanDerWaalsContact OG-N 3.09Å; S160-T163 PolarHBondContact OG-OG1 2.95Å; T163-I165 PolarHBondContact O-N 2.91Å; T163-I165 PolarHBondContact OG1-O 2.76Å |
| 164 | G | 70.6 | Confident | 85.3 | Confident | 42 Ų | 42 | 59.2 Ų | 59.2 | 43% | 0.433 | 32% | 0.319 | S | S | . | . | trans | 70.8 | -40.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | K159 S160 | K159-G164 WeakPolarHBondContact CE-O 3.5Å; S160-G164 PolarHBondContact O-N 3.28Å | ||
| 165 | I | 81.3 | Confident | 84.4 | Confident | 130 Ų | 130 | 66.1 Ų | 66.1 | 67% | 0.667 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -63.5 | 126.3 | 166.7 | -58 | 168.1 | 0 | 0 | 0 | 108.5 | T163 | T163-I165 PolarHBondContact O-N 2.91Å; T163-I165 PolarHBondContact OG1-O 2.76Å |
| 166 | P | 84.8 | Confident | 82.6 | Confident | 55 Ų | 55 | 73.4 Ų | 73.4 | 36% | 0.357 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 141 | 169.9 | 30.9 | -31.8 | 0 | 0 | 0 | 111 | Q157 I158 | Q157-P166 HydrophobicContact CG-CB 3.57Å; Q157-P166 HydrophobicContact CG-CG 4.42Å; I158-P166 CarbonylContact O-C 3.58Å; I158-P166 WeakPolarHBondContact O-CA 3.43Å |
| 167 | E | 88 | Confident | 81.1 | Confident | 116 Ų | 116 | 75.3 Ų | 75.3 | 54% | 0.542 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 140.3 | 167 | -175.7 | 174.5 | -172.8 | 0 | 0 | 108.9 | Q157 I158 | Q157-E167 WeakPolarHBondContact CA-O 3.39Å; I158-E167 PolarHBondContact N-O 2.8Å; I158-E167 PolarHBondContact O-N 3.2Å |
| 168 | T | 89.3 | Confident | 79.7 | Confident | 76 Ų | 76 | 78.4 Ų | 78.4 | 47% | 0.466 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 133 | -179.7 | -67 | 0 | 0 | 0 | 0 | 109.7 | E155 L156 | E155-T168 HydrophobicContact CG-CG2 3.39Å; E155-T168 VanDerWaalsContact OE1-CG2 3.28Å; E155-T168 WeakPolarHBondContact OE1-CG2 3.46Å; L156-T168 WeakPolarHBondContact O-CA 3Å |
| 169 | L | 87.6 | Confident | 78.5 | Confident | 63 Ų | 63 | 79.1 Ų | 79.1 | 33% | 0.33 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 119.7 | 175.9 | 179.6 | 63.9 | 0 | 0 | 0 | 109.7 | L156 I158 I179 | L156-L169 HydrophobicContact CB-CB 4.33Å; L156-L169 HydrophobicContact CD1-CD2 4.22Å; L156-L169 PolarHBondContact N-O 3.39Å; L156-L169 PolarHBondContact O-N 2.83Å; I158-L169 HydrophobicContact CD1-CB 4.16Å; L169-I179 HydrophobicContact CD2-CG2 3.71Å |
| 170 | E | 89.2 | Confident | 77.1 | Confident | 89 Ų | 89 | 77 Ų | 77 | 42% | 0.416 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 139.1 | 170.5 | -64.3 | -174 | 143.9 | 0 | 0 | 109.6 | Y154 N196 R198 | Y154-E170 CarbonylContact O-C 3.53Å; Y154-E170 WeakPolarHBondContact O-CA 3.4Å; E170-N196 PolarHBondContact OE1-ND2 2.63Å; E170-R198 IonicContact OE1-CZ 2.63Å; E170-R198 IonicContact OE1-NE 2.78Å; E170-R198 IonicContact OE1-NH2 2.74Å; E170-R198 PolarHBondContact OE1-NH2 2.85Å; E170-R198 IonicContact OE2-NH2 3.42Å |
| 171 | I | 86.3 | Confident | 76.2 | Confident | 11 Ų | 11 | 78.1 Ų | 78.1 | 6% | 0.056 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 128.2 | 176.2 | -37.8 | 157.3 | 0 | 0 | 0 | 108.9 | F138 D153 Y154 L156 S173 T177 I179 | F138-I171 HydrophobicContact CE1-CD1 4.46Å; F138-I171 HydrophobicContact CE2-CD1 4.29Å; F138-I171 HydrophobicContact CZ-CD1 3.69Å; D153-I171 WeakPolarHBondContact CA-O 2.9Å; Y154-I171 PolarHBondContact N-O 3.17Å; Y154-I171 PolarHBondContact O-N 2.87Å; L156-I171 HydrophobicContact CD1-CD1 3.66Å; L156-I171 HydrophobicContact CD1-CG1 4.07Å; L156-I171 HydrophobicContact CD2-CD1 4.08Å; L156-I171 HydrophobicContact CG-CD1 3.55Å; L156-I171 HydrophobicContact CG-CG1 4.13Å; I171-S173 WeakPolarHBondContact CG2-O 3.46Å; I171-T177 HydrophobicContact CG2-CG2 3.87Å; I171-I179 HydrophobicContact CD1-CD1 3.34Å; I171-I179 HydrophobicContact CG1-CD1 3.59Å; I171-I179 HydrophobicContact CG2-CD1 4.09Å |
| 172 | H | 82.4 | Confident | 75.6 | Confident | 131 Ų | 131 | 80.1 Ų | 80.1 | 61% | 0.606 | 42% | 0.423 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 119.8 | 163.9 | -55.6 | -68.7 | 0 | 0 | 0 | 108.6 | D153 | D153-H172 WeakPolarHBondContact OD1-CA 3.45Å; D153-H172 IonicContact OD1-CE1 3.87Å; D153-H172 IonicContact OD1-CG 3.54Å; D153-H172 IonicContact OD1-ND1 2.71Å; D153-H172 PolarHBondContact OD1-ND1 3.38Å; D153-H172 IonicContact OD2-CE1 2.66Å; D153-H172 IonicContact OD2-ND1 3.82Å; D153-H172 PolarHBondContact OD2-ND1 2.02Å |
| 173 | S | 78.1 | Confident | 75.6 | Confident | 25 Ų | 25 | 74.5 Ų | 74.5 | 18% | 0.175 | 40% | 0.398 | C | S | . | . | trans | 68.7 | 146 | -179.7 | -163.6 | 0 | 0 | 0 | 0 | 117.4 | D150 I152 I171 K175 T177 | D150-S173 WeakPolarHBondContact CA-OG 3.39Å; D150-S173 WeakPolarHBondContact O-CB 3.41Å; D150-S173 PolarHBondContact O-OG 2.62Å; I152-S173 PolarHBondContact O-N 3.5Å; I171-S173 WeakPolarHBondContact CG2-O 3.46Å; S173-K175 VanDerWaalsContact C-N 3.29Å; S173-K175 VanDerWaalsContact OG-CB 3.24Å; S173-K175 WeakPolarHBondContact OG-CB 3.44Å; S173-K175 PolarHBondContact OG-N 2.82Å; S173-K175 VanDerWaalsContact OG-N 3.12Å; S173-T177 PolarHBondContact O-OG1 3.1Å | ||
| 174 | L | 80.2 | Confident | 75.8 | Confident | 13 Ų | 13 | 74 Ų | 74 | 7% | 0.068 | 40% | 0.395 | C | S | . | . | S | Bend | trans | -85.8 | 1.1 | 166.9 | -53.1 | -172.5 | 0 | 0 | 0 | 113.4 | P123 F138 P140 Y149 Y154 N176 T177 I193 | P123-L174 HydrophobicContact CB-CD1 3.81Å; P123-L174 HydrophobicContact CG-CD1 3.8Å; F138-L174 HydrophobicContact CB-CB 4.37Å; F138-L174 HydrophobicContact CB-CD1 3.93Å; F138-L174 HydrophobicContact CB-CD2 4.24Å; F138-L174 HydrophobicContact CB-CG 4.42Å; F138-L174 HydrophobicContact CD1-CD2 4.05Å; F138-L174 HydrophobicContact CD2-CB 4.42Å; F138-L174 HydrophobicContact CD2-CD2 3.87Å; F138-L174 HydrophobicContact CE1-CD2 4.42Å; F138-L174 HydrophobicContact CE2-CD2 4.26Å; F138-L174 HydrophobicContact CG-CD1 4.35Å; F138-L174 HydrophobicContact CG-CD2 3.76Å; F138-L174 HydrophobicContact CG-CG 4.44Å; P140-L174 HydrophobicContact CG-CD1 4.47Å; Y149-L174 HydrophobicContact CD1-CD1 4.2Å; Y149-L174 HydrophobicContact CG-CD1 4.43Å; Y154-L174 HydrophobicContact CD1-CD2 4.32Å; Y154-L174 HydrophobicContact CD2-CD2 3.46Å; Y154-L174 VanDerWaalsContact CD2-CD2 3.46Å; Y154-L174 HydrophobicContact CD2-CG 4.08Å; Y154-L174 HydrophobicContact CE1-CD1 4.49Å; Y154-L174 HydrophobicContact CE1-CD2 4.24Å; Y154-L174 HydrophobicContact CE2-CD1 4.15Å; Y154-L174 HydrophobicContact CE2-CD2 3.38Å; Y154-L174 HydrophobicContact CE2-CG 3.47Å; Y154-L174 VanDerWaalsContact CE2-CG 3.47Å; Y154-L174 HydrophobicContact CG-CD2 3.95Å; L174-N176 PolarHBondContact O-N 2.9Å; L174-T177 WeakPolarHBondContact CA-OG1 3.39Å; L174-T177 PolarHBondContact O-OG1 2.81Å; L174-I193 HydrophobicContact CD2-CD1 4.47Å |
| 175 | K | 71.3 | Confident | 76.3 | Confident | 146 Ų | 146 | 75.3 Ų | 75.3 | 64% | 0.635 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | 121.6 | -175.1 | -168.6 | 172.6 | -176.4 | 174.9 | 0 | 111.3 | D150 S173 T177 | D150-K175 HydrophobicContact CB-CB 4.34Å; S173-K175 VanDerWaalsContact C-N 3.29Å; S173-K175 VanDerWaalsContact OG-CB 3.24Å; S173-K175 WeakPolarHBondContact OG-CB 3.44Å; S173-K175 PolarHBondContact OG-N 2.82Å; S173-K175 VanDerWaalsContact OG-N 3.12Å; K175-T177 PolarHBondContact O-N 2.95Å; K175-T177 VanDerWaalsContact O-N 3.09Å |
| 176 | N | 55.5 | Low | 76.4 | Confident | 168 Ų | 168 | 71.5 Ų | 71.5 | 90% | 0.898 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.6 | 10.7 | 177.6 | -96.8 | 15.5 | 0 | 0 | 0 | 116.4 | L174 E178 | L174-N176 PolarHBondContact O-N 2.9Å; N176-E178 PolarHBondContact O-N 3.03Å |
| 177 | T | 59.5 | Low | 76.4 | Confident | 39 Ų | 39 | 71.6 Ų | 71.6 | 24% | 0.239 | 38% | 0.381 | C | S | . | . | trans | -81.5 | 73.2 | -174.8 | 19.6 | 0 | 0 | 0 | 0 | 113.2 | I171 S173 L174 K175 I179 | I171-T177 HydrophobicContact CG2-CG2 3.87Å; S173-T177 PolarHBondContact O-OG1 3.1Å; L174-T177 WeakPolarHBondContact CA-OG1 3.39Å; L174-T177 PolarHBondContact O-OG1 2.81Å; K175-T177 PolarHBondContact O-N 2.95Å; K175-T177 VanDerWaalsContact O-N 3.09Å; T177-I179 HydrophobicContact CG2-CD1 4.41Å; T177-I179 HydrophobicContact CG2-CG1 4.02Å; T177-I179 PolarHBondContact O-N 3.01Å | ||
| 178 | E | 62.4 | Low | 76.5 | Confident | 126 Ų | 126 | 69.8 Ų | 69.8 | 59% | 0.589 | 38% | 0.375 | S | S | * | . | trans | -69.4 | 85.6 | 151.3 | -172.9 | 171.8 | -130 | 0 | 0 | 107.4 | C130 C135 N176 V180 | C130-E178 PolarHBondContact SG-OE1 3.21Å; C135-E178 HydrophobicContact CB-CG 4.17Å; C135-E178 PolarHBondContact SG-OE1 2.83Å; N176-E178 PolarHBondContact O-N 3.03Å; E178-V180 HydrophobicContact CG-CG2 4.27Å; E178-V180 PolarHBondContact O-N 2.9Å | ||
| 179 | I | 64.3 | Low | 76.5 | Confident | 19 Ų | 19 | 67.3 Ų | 67.3 | 10% | 0.097 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 119 | -178.9 | -66.9 | 167.7 | 0 | 0 | 0 | 108.3 | L136 F138 L156 L169 I171 T177 M181 | L136-I179 HydrophobicContact CB-CB 4.28Å; L136-I179 HydrophobicContact CD1-CB 4.08Å; L136-I179 HydrophobicContact CD1-CD1 4.38Å; L136-I179 HydrophobicContact CD1-CG2 4.17Å; L136-I179 HydrophobicContact CG-CB 4.33Å; F138-I179 HydrophobicContact CE2-CD1 3.96Å; F138-I179 HydrophobicContact CZ-CD1 3.94Å; L156-I179 HydrophobicContact CD1-CD1 3.7Å; L156-I179 HydrophobicContact CD1-CG2 4.45Å; L169-I179 HydrophobicContact CD2-CG2 3.71Å; I171-I179 HydrophobicContact CD1-CD1 3.34Å; I171-I179 HydrophobicContact CG1-CD1 3.59Å; I171-I179 HydrophobicContact CG2-CD1 4.09Å; T177-I179 HydrophobicContact CG2-CD1 4.41Å; T177-I179 HydrophobicContact CG2-CG1 4.02Å; T177-I179 PolarHBondContact O-N 3.01Å; I179-M181 HydrophobicContact CG2-CG 4.33Å |
| 180 | V | 61.8 | Low | 76.7 | Confident | 68 Ų | 68 | 66 Ų | 66 | 41% | 0.412 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 104.2 | -169.2 | 154.9 | 0 | 0 | 0 | 0 | 109.3 | K133 L134 E178 | K133-V180 HydrophobicContact CB-CG1 4.11Å; K133-V180 HydrophobicContact CD-CG1 3.32Å; K133-V180 HydrophobicContact CG-CG1 3.78Å; K133-V180 VanDerWaalsContact NZ-CG1 3.28Å; L134-V180 WeakPolarHBondContact O-CA 3.34Å; E178-V180 HydrophobicContact CG-CG2 4.27Å; E178-V180 PolarHBondContact O-N 2.9Å |
| 181 | M | 70.1 | Confident | 76.8 | Confident | 34 Ų | 34 | 61.8 Ų | 61.8 | 17% | 0.167 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 135.2 | 172.7 | -60.2 | -176.9 | 81.3 | 0 | 0 | 109.6 | K133 L134 I158 I179 L183 | K133-M181 CarbonylContact C-O 3.54Å; K133-M181 VanDerWaalsContact CA-O 3.27Å; K133-M181 WeakPolarHBondContact CA-O 3.46Å; L134-M181 HydrophobicContact CB-CB 4.27Å; L134-M181 PolarHBondContact N-O 2.84Å; I158-M181 HydrophobicContact CD1-CE 4.02Å; I158-M181 HydrophobicContact CD1-SD 3.67Å; I158-M181 HydrophobicContact CG1-CE 4.3Å; I158-M181 HydrophobicContact CG1-SD 3.72Å; I179-M181 HydrophobicContact CG2-CG 4.33Å; M181-L183 PolarHBondContact O-N 3.18Å |
| 182 | D | 72.6 | Confident | 77.2 | Confident | 119 Ų | 119 | 61.6 Ų | 61.6 | 64% | 0.636 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 129 | 179.2 | -71.3 | -42.2 | 0 | 0 | 0 | 111.3 | K133 | K133-D182 WeakPolarHBondContact CE-OD1 3.25Å; K133-D182 WeakPolarHBondContact CG-OD1 3.2Å |
| 183 | L | 78.2 | Confident | 77.6 | Confident | 17 Ų | 17 | 55.3 Ų | 55.3 | 9% | 0.089 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -93.6 | 135.2 | -176.3 | -66.2 | 173.1 | 0 | 0 | 0 | 111.1 | T132 K133 L134 M181 P185 Y189 I214 | T132-L183 WeakPolarHBondContact O-CB 3.44Å; T132-L183 PolarHBondContact O-N 2.65Å; K133-L183 WeakPolarHBondContact O-CD1 3.29Å; L134-L183 HydrophobicContact CB-CD2 3.83Å; L134-L183 HydrophobicContact CB-CG 4.27Å; L134-L183 HydrophobicContact CD1-CD2 3.99Å; L134-L183 HydrophobicContact CG-CD2 4.43Å; M181-L183 PolarHBondContact O-N 3.18Å; L183-P185 WeakPolarHBondContact O-CD 3.43Å; L183-Y189 HydrophobicContact CD2-CD1 4.5Å; L183-Y189 HydrophobicContact CD2-CD2 3.82Å; L183-Y189 HydrophobicContact CD2-CE1 4.34Å; L183-Y189 HydrophobicContact CD2-CE2 3.64Å; L183-Y189 HydrophobicContact CD2-CG 4.24Å; L183-I214 HydrophobicContact CB-CG1 4.43Å; L183-I214 HydrophobicContact CB-CG2 4.48Å; L183-I214 HydrophobicContact CD1-CD1 3.58Å; L183-I214 HydrophobicContact CD1-CG1 3.93Å; L183-I214 HydrophobicContact CD1-CG2 4.49Å; L183-I214 HydrophobicContact CD2-CD1 4.25Å; L183-I214 HydrophobicContact CD2-CG1 4.01Å; L183-I214 HydrophobicContact CG-CD1 4.46Å; L183-I214 HydrophobicContact CG-CG1 4.36Å |
| 184 | V | 79.4 | Confident | 78.4 | Confident | 67 Ų | 67 | 57.1 Ų | 57.1 | 41% | 0.406 | 31% | 0.307 | S | S | . | . | P | Polyproline II helix | trans | -90.5 | 120 | 165.7 | -176.2 | 0 | 0 | 0 | 0 | 108.3 | R187 Y189 | V184-R187 HydrophobicContact CB-CG 4.32Å; V184-R187 HydrophobicContact CG1-CG 4.37Å; V184-Y189 PolarHBondContact N-OH 2.85Å |
| 185 | P | 80.9 | Confident | 79 | Confident | 70 Ų | 70 | 56.9 Ų | 56.9 | 46% | 0.455 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53 | 146 | 175.9 | -32.1 | 39.7 | 0 | 0 | 0 | 113.9 | L183 P217 | L183-P185 WeakPolarHBondContact O-CD 3.43Å; P185-P217 HydrophobicContact CB-CG 4.33Å |
| 186 | G | 82 | Confident | 79.9 | Confident | 49 Ų | 49 | 51 Ų | 51 | 51% | 0.505 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.8 | 21.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | I214 P215 | G186-I214 WeakPolarHBondContact CA-O 3.24Å; G186-I214 PolarHBondContact N-O 3.25Å; G186-P215 PolarHBondContact N-O 3.2Å |
| 187 | R | 85.9 | Confident | 81.5 | Confident | 58 Ų | 58 | 43.5 Ų | 43.5 | 22% | 0.219 | 24% | 0.241 | C | C | . | . | trans | -122.2 | 152.2 | 179.4 | -58.9 | -164.9 | -176.7 | -156.7 | -11.7 | 111.9 | H162 V184 Y189 I214 | H162-R187 PolarHBondContact CD2-NH2 2.89Å; V184-R187 HydrophobicContact CB-CG 4.32Å; V184-R187 HydrophobicContact CG1-CG 4.37Å; R187-Y189 HydrophobicContact CB-CD2 4.32Å; R187-Y189 HydrophobicContact CB-CE2 3.72Å; R187-I214 PolarHBondContact N-O 3.41Å; R187-I214 PolarHBondContact O-N 2.96Å | ||
| 188 | N | 89.3 | Confident | 82.7 | Confident | 78 Ų | 78 | 49.8 Ų | 49.8 | 42% | 0.417 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 134.2 | 170 | -55.9 | -18.1 | 0 | 0 | 0 | 108.6 | S160 S161 I212 S213 | S160-N188 WeakPolarHBondContact CA-O 2.94Å; S161-N188 PolarHBondContact N-O 2.71Å; S161-N188 PolarHBondContact OG-N 3.26Å; N188-I212 WeakPolarHBondContact CA-O 3.05Å; N188-S213 WeakPolarHBondContact OD1-CA 3.44Å; N188-S213 VanDerWaalsContact OD1-CB 3.28Å; N188-S213 WeakPolarHBondContact OD1-CB 3.38Å; N188-S213 PolarHBondContact OD1-OG 3.25Å; N188-S213 VanDerWaalsContact OD1-OG 3.04Å |
| 189 | Y | 89.6 | Confident | 83.6 | Confident | 23 Ų | 23 | 49.9 Ų | 49.9 | 9% | 0.09 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 129.8 | 176.2 | -68.8 | -97.1 | 0 | 0 | 0 | 108.4 | I158 L183 V184 R187 C211 I212 I214 | I158-Y189 HydrophobicContact CG2-CD1 4.07Å; L183-Y189 HydrophobicContact CD2-CD1 4.5Å; L183-Y189 HydrophobicContact CD2-CD2 3.82Å; L183-Y189 HydrophobicContact CD2-CE1 4.34Å; L183-Y189 HydrophobicContact CD2-CE2 3.64Å; L183-Y189 HydrophobicContact CD2-CG 4.24Å; V184-Y189 PolarHBondContact N-OH 2.85Å; R187-Y189 HydrophobicContact CB-CD2 4.32Å; R187-Y189 HydrophobicContact CB-CE2 3.72Å; Y189-C211 CarbonylContact O-C 3.59Å; Y189-C211 VanDerWaalsContact O-CA 3.26Å; Y189-C211 WeakPolarHBondContact O-CA 3.26Å; Y189-I212 PolarHBondContact N-O 2.82Å; Y189-I212 PolarHBondContact O-N 2.82Å; Y189-I214 HydrophobicContact CD2-CG1 3.85Å; Y189-I214 HydrophobicContact CE2-CG1 4.01Å |
| 190 | C | 91.6 | Very high | 84.3 | Confident | 36 Ų | 36 | 50 Ų | 50 | 24% | 0.243 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 130.1 | 173.7 | -69.3 | 0 | 0 | 0 | 0 | 108.8 | K159 P209 E210 C211 | K159-C190 PolarHBondContact N-O 3Å; K159-C190 PolarHBondContact O-N 2.88Å; C190-P209 HydrophobicContact CB-CB 4.23Å; C190-E210 CarbonylContact C-O 3.56Å; C190-E210 WeakPolarHBondContact CA-O 3.09Å; C190-C211 HydrophobicContact CB-CB 4.13Å; C190-C211 WeakPolarHBondContact CB-SG 3.37Å; C190-C211 WeakPolarHBondContact SG-CB 3.2Å; C190-C211 CovalentContact SG-SG 2.04Å; C190-C211 PolarHBondContact SG-SG 2.98Å |
| 191 | V | 91.9 | Very high | 85.4 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 131.2 | -177.3 | -174.2 | 0 | 0 | 0 | 0 | 110.2 | L125 V127 L134 L136 L156 Q157 I158 P209 E210 | L125-V191 HydrophobicContact CD2-CB 3.74Å; L125-V191 HydrophobicContact CD2-CG1 3.56Å; V127-V191 HydrophobicContact CG2-CB 4.32Å; L134-V191 HydrophobicContact CD2-CG2 3.84Å; L136-V191 HydrophobicContact CD1-CG1 4.12Å; L136-V191 HydrophobicContact CD2-CB 4.42Å; L136-V191 HydrophobicContact CD2-CG1 4.29Å; L136-V191 HydrophobicContact CD2-CG2 4.2Å; L156-V191 HydrophobicContact CD2-CG1 3.86Å; Q157-V191 WeakPolarHBondContact O-CA 3.38Å; I158-V191 HydrophobicContact CB-CG2 4.45Å; I158-V191 HydrophobicContact CG1-CG1 4.19Å; I158-V191 HydrophobicContact CG1-CG2 3.93Å; I158-V191 HydrophobicContact CG2-CG2 4.24Å; V191-P209 CarbonylContact O-C 3.58Å; V191-P209 WeakPolarHBondContact O-CA 3.49Å; V191-E210 PolarHBondContact N-O 2.95Å; V191-E210 PolarHBondContact O-N 2.04Å |
| 192 | S | 93.3 | Very high | 86.2 | Confident | 7 Ų | 7 | 53 Ų | 53 | 5% | 0.049 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 156.9 | 168.7 | 55.7 | 0 | 0 | 0 | 0 | 110.6 | L156 Q157 S207 | L156-S192 CarbonylContact C-O 3.59Å; L156-S192 WeakPolarHBondContact CA-O 3.44Å; Q157-S192 PolarHBondContact N-O 2.82Å; Q157-S192 PolarHBondContact O-N 2.79Å; S192-S207 WeakPolarHBondContact CA-OG 3.28Å; S192-S207 WeakPolarHBondContact CB-O 3.49Å; S192-S207 WeakPolarHBondContact CB-OG 3.28Å |
| 193 | I | 92.7 | Very high | 87.1 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 144.9 | -178.6 | -178.3 | 157.5 | 0 | 0 | 0 | 110.8 | P123 F138 Y154 E155 L156 L174 F206 S207 | P123-I193 HydrophobicContact CG-CD1 4.12Å; F138-I193 HydrophobicContact CD1-CD1 3.8Å; F138-I193 HydrophobicContact CE1-CD1 3.37Å; F138-I193 HydrophobicContact CZ-CD1 4.25Å; Y154-I193 HydrophobicContact CD1-CD1 3.63Å; Y154-I193 HydrophobicContact CD1-CG1 3.94Å; Y154-I193 HydrophobicContact CE1-CD1 4.42Å; Y154-I193 HydrophobicContact CG-CD1 3.94Å; Y154-I193 HydrophobicContact CG-CG1 4.48Å; E155-I193 CarbonylContact O-C 3.58Å; E155-I193 WeakPolarHBondContact O-CA 3.41Å; L156-I193 HydrophobicContact CD2-CB 4Å; L156-I193 HydrophobicContact CD2-CD1 4.21Å; L156-I193 HydrophobicContact CD2-CG1 4.3Å; L174-I193 HydrophobicContact CD2-CD1 4.47Å; I193-F206 CarbonylContact O-C 3.59Å; I193-S207 PolarHBondContact N-OG 2.86Å; I193-S207 WeakPolarHBondContact O-CB 3.33Å; I193-S207 PolarHBondContact O-N 2.92Å |
| 194 | R | 93.2 | Very high | 87.7 | Confident | 62 Ų | 62 | 51.8 Ų | 51.8 | 23% | 0.234 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 160.1 | 164.1 | 65.4 | 173.3 | 175.1 | -163.9 | -4.2 | 111.4 | Y154 E155 S204 F206 | Y154-R194 WeakPolarHBondContact CA-O 3.48Å; E155-R194 HydrophobicContact CB-CG 3.84Å; E155-R194 PolarHBondContact N-O 2.88Å; E155-R194 PolarHBondContact O-N 3.43Å; E155-R194 IonicContact OE1-CZ 3.2Å; E155-R194 IonicContact OE1-NE 3.71Å; E155-R194 PolarHBondContact OE1-NE 2.83Å; E155-R194 IonicContact OE1-NH2 3.62Å; E155-R194 PolarHBondContact OE1-NH2 2.87Å; E155-R194 IonicContact OE2-CZ 2.76Å; E155-R194 IonicContact OE2-NE 2.71Å; E155-R194 PolarHBondContact OE2-NE 2.81Å; E155-R194 IonicContact OE2-NH2 3.56Å; E155-R194 PolarHBondContact OE2-NH2 3.02Å; R194-S204 WeakPolarHBondContact CB-O 3.39Å; R194-S204 WeakPolarHBondContact CB-OG 3.36Å; R194-S204 VanDerWaalsContact CD-O 3.26Å; R194-S204 WeakPolarHBondContact CD-O 3.26Å; R194-F206 HydrophobicContact CB-CD1 4Å; R194-F206 HydrophobicContact CB-CE1 4.2Å; R194-F206 HydrophobicContact CB-CG 4.32Å; R194-F206 HydrophobicContact CG-CD1 4Å; R194-F206 HydrophobicContact CG-CE1 3.67Å; R194-F206 HydrophobicContact CG-CE2 4.4Å; R194-F206 HydrophobicContact CG-CG 4.5Å; R194-F206 HydrophobicContact CG-CZ 3.9Å |
| 195 | F | 92.8 | Very high | 88.4 | Confident | 8 Ų | 8 | 55.5 Ų | 55.5 | 4% | 0.035 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 136.8 | 159.3 | -61.2 | -61.1 | 0 | 0 | 0 | 108.7 | L120 L122 Y149 I152 Y154 L202 S203 S204 | L120-F195 WeakPolarHBondContact O-CE2 3.49Å; L122-F195 HydrophobicContact CD2-CD1 4.38Å; L122-F195 HydrophobicContact CD2-CD2 3.82Å; L122-F195 HydrophobicContact CD2-CE1 4.48Å; L122-F195 HydrophobicContact CD2-CE2 3.93Å; L122-F195 HydrophobicContact CD2-CG 4.06Å; L122-F195 HydrophobicContact CD2-CZ 4.27Å; L122-F195 HydrophobicContact CG-CD2 4.12Å; L122-F195 HydrophobicContact CG-CE2 3.86Å; L122-F195 HydrophobicContact CG-CZ 4.35Å; Y149-F195 HydrophobicContact CE1-CE1 4.42Å; Y149-F195 HydrophobicContact CE1-CZ 4.33Å; I152-F195 HydrophobicContact CD1-CE1 4.26Å; I152-F195 HydrophobicContact CG2-CD1 3.76Å; I152-F195 HydrophobicContact CG2-CE1 4.36Å; Y154-F195 AromaticContact CD1-CD1 4Å; Y154-F195 HydrophobicContact CD1-CD1 4Å; Y154-F195 AromaticContact CE1-CD1 3.37Å; Y154-F195 HydrophobicContact CE1-CD1 3.37Å; Y154-F195 AromaticContact CE1-CE1 3.51Å; Y154-F195 HydrophobicContact CE1-CE1 3.51Å; F195-L202 HydrophobicContact CB-CD2 3.81Å; F195-L202 HydrophobicContact CB-CG 3.9Å; F195-L202 HydrophobicContact CD1-CD2 4.22Å; F195-L202 HydrophobicContact CD2-CD2 4.37Å; F195-L202 HydrophobicContact CG-CD2 3.92Å; F195-L202 HydrophobicContact CG-CG 4.39Å; F195-S203 WeakPolarHBondContact O-CA 3.35Å; F195-S204 PolarHBondContact N-OG 3.02Å; F195-S204 PolarHBondContact O-N 2.88Å |
| 196 | N | 91.9 | Very high | 89 | Confident | 24 Ų | 24 | 54.9 Ų | 54.9 | 13% | 0.128 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 55.2 | 179.2 | -169.6 | 51.8 | 0 | 0 | 0 | 110.9 | D153 E155 E170 L202 | D153-N196 WeakPolarHBondContact CB-O 3.48Å; D153-N196 CarbonylContact O-C 3.52Å; D153-N196 PolarHBondContact O-N 2.91Å; E155-N196 HydrophobicContact CB-CB 3.66Å; E155-N196 PolarHBondContact OE2-ND2 2.89Å; E170-N196 PolarHBondContact OE1-ND2 2.63Å; N196-L202 WeakPolarHBondContact CA-O 3.36Å |
| 197 | D | 87.9 | Confident | 89.6 | Confident | 9 Ų | 9 | 53.9 Ų | 53.9 | 5% | 0.048 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 108.9 | 176.1 | 169.8 | 4.7 | 0 | 0 | 0 | 110.1 | I152 D153 V199 S200 N201 L202 | I152-D197 HydrophobicContact CG2-CB 4.33Å; D153-D197 HydrophobicContact CB-CB 4.16Å; D197-V199 WeakPolarHBondContact OD1-CA 3.4Å; D197-V199 WeakPolarHBondContact OD1-CB 3.36Å; D197-V199 PolarHBondContact OD1-N 2.78Å; D197-S200 PolarHBondContact OD1-N 3.42Å; D197-S200 WeakPolarHBondContact OD2-CB 3.27Å; D197-S200 PolarHBondContact OD2-OG 3.31Å; D197-N201 WeakPolarHBondContact O-CA 3.39Å; D197-N201 PolarHBondContact O-N 2.74Å; D197-N201 VanDerWaalsContact O-N 3.17Å; D197-L202 HydrophobicContact CB-CB 4.27Å; D197-L202 PolarHBondContact N-O 2.99Å; D197-L202 PolarHBondContact O-N 3.18Å |
| 198 | R | 84.6 | Confident | 89.9 | Confident | 171 Ų | 171 | 62.1 Ų | 62.1 | 65% | 0.645 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -33 | -180 | -55.9 | -174.1 | -171.7 | -160.2 | 7.5 | 112.4 | E170 N201 | E170-R198 IonicContact OE1-CZ 2.63Å; E170-R198 IonicContact OE1-NE 2.78Å; E170-R198 IonicContact OE1-NH2 2.74Å; E170-R198 PolarHBondContact OE1-NH2 2.85Å; E170-R198 IonicContact OE2-NH2 3.42Å; R198-N201 PolarHBondContact O-N 3.04Å |
| 199 | V | 82 | Confident | 90.1 | Very high | 129 Ų | 129 | 62 Ų | 62 | 78% | 0.782 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -45.7 | -179.8 | -178.4 | 0 | 0 | 0 | 0 | 109.5 | D197 | D197-V199 WeakPolarHBondContact OD1-CA 3.4Å; D197-V199 WeakPolarHBondContact OD1-CB 3.36Å; D197-V199 PolarHBondContact OD1-N 2.78Å |
| 200 | S | 78.6 | Confident | 90.2 | Very high | 21 Ų | 21 | 65.6 Ų | 65.6 | 15% | 0.147 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -2.5 | 179.4 | -53.3 | 0 | 0 | 0 | 0 | 113.9 | K115 D197 L202 | K115-S200 PolarHBondContact NZ-O 3.17Å; D197-S200 PolarHBondContact OD1-N 3.42Å; D197-S200 WeakPolarHBondContact OD2-CB 3.27Å; D197-S200 PolarHBondContact OD2-OG 3.31Å; S200-L202 VanDerWaalsContact C-N 3.28Å; S200-L202 PolarHBondContact O-N 3.48Å |
| 201 | N | 84.4 | Confident | 90.2 | Very high | 149 Ų | 149 | 67.3 Ų | 67.3 | 80% | 0.797 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.7 | 45.5 | -167.5 | -67 | -77.9 | 0 | 0 | 0 | 112.7 | D197 R198 | D197-N201 WeakPolarHBondContact O-CA 3.39Å; D197-N201 PolarHBondContact O-N 2.74Å; D197-N201 VanDerWaalsContact O-N 3.17Å; R198-N201 PolarHBondContact O-N 3.04Å |
| 202 | L | 87.9 | Confident | 90.1 | Very high | 16 Ų | 16 | 68.8 Ų | 68.8 | 8% | 0.084 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 110.5 | 176 | 178.3 | 75.1 | 0 | 0 | 0 | 110.1 | I117 I152 F195 N196 D197 S200 | I117-L202 HydrophobicContact CD1-CD2 3.4Å; I117-L202 HydrophobicContact CG1-CD2 3.66Å; I152-L202 HydrophobicContact CG2-CD2 4.22Å; F195-L202 HydrophobicContact CB-CD2 3.81Å; F195-L202 HydrophobicContact CB-CG 3.9Å; F195-L202 HydrophobicContact CD1-CD2 4.22Å; F195-L202 HydrophobicContact CD2-CD2 4.37Å; F195-L202 HydrophobicContact CG-CD2 3.92Å; F195-L202 HydrophobicContact CG-CG 4.39Å; N196-L202 WeakPolarHBondContact CA-O 3.36Å; D197-L202 HydrophobicContact CB-CB 4.27Å; D197-L202 PolarHBondContact N-O 2.99Å; D197-L202 PolarHBondContact O-N 3.18Å; S200-L202 VanDerWaalsContact C-N 3.28Å; S200-L202 PolarHBondContact O-N 3.48Å |
| 203 | S | 90 | Very high | 89.9 | Confident | 81 Ų | 81 | 72.5 Ų | 72.5 | 57% | 0.566 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 140.2 | 170.7 | -166.1 | 0 | 0 | 0 | 0 | 110.4 | F195 | F195-S203 WeakPolarHBondContact O-CA 3.35Å |
| 204 | S | 92.1 | Very high | 89.7 | Confident | 30 Ų | 30 | 73.3 Ų | 73.3 | 21% | 0.21 | 38% | 0.383 | C | S | . | . | trans | -121.4 | 166.1 | 174.7 | 76.4 | 0 | 0 | 0 | 0 | 112.3 | R194 F195 | R194-S204 WeakPolarHBondContact CB-O 3.39Å; R194-S204 WeakPolarHBondContact CB-OG 3.36Å; R194-S204 VanDerWaalsContact CD-O 3.26Å; R194-S204 WeakPolarHBondContact CD-O 3.26Å; F195-S204 PolarHBondContact N-OG 3.02Å; F195-S204 PolarHBondContact O-N 2.88Å | ||
| 205 | N | 93.6 | Very high | 89 | Confident | 145 Ų | 145 | 75.2 Ų | 75.2 | 78% | 0.775 | 40% | 0.403 | S | S | * | . | P | Polyproline II helix | trans | -61.7 | 154.4 | 159.5 | -70.9 | -67.7 | 0 | 0 | 0 | 110.2 | ||
| 206 | F | 93.4 | Very high | 88.2 | Confident | 56 Ų | 56 | 76.3 Ų | 76.3 | 25% | 0.246 | 42% | 0.417 | C | S | . | . | P | Polyproline II helix | trans | -64.9 | 146.7 | 171.9 | -76.6 | -79.4 | 0 | 0 | 0 | 111.5 | E155 Q157 I193 R194 | E155-F206 HydrophobicContact CG-CZ 4.41Å; Q157-F206 HydrophobicContact CB-CD1 3.94Å; Q157-F206 HydrophobicContact CB-CE1 3.49Å; Q157-F206 VanDerWaalsContact CB-CE1 3.49Å; Q157-F206 HydrophobicContact CB-CZ 3.86Å; I193-F206 CarbonylContact O-C 3.59Å; R194-F206 HydrophobicContact CB-CD1 4Å; R194-F206 HydrophobicContact CB-CE1 4.2Å; R194-F206 HydrophobicContact CB-CG 4.32Å; R194-F206 HydrophobicContact CG-CD1 4Å; R194-F206 HydrophobicContact CG-CE1 3.67Å; R194-F206 HydrophobicContact CG-CE2 4.4Å; R194-F206 HydrophobicContact CG-CG 4.5Å; R194-F206 HydrophobicContact CG-CZ 3.9Å |
| 207 | S | 94.3 | Very high | 87 | Confident | 29 Ų | 29 | 80 Ų | 80 | 20% | 0.203 | 44% | 0.442 | C | S | . | . | P | Polyproline II helix | trans | -59.7 | 168.9 | 170.4 | 73.6 | 0 | 0 | 0 | 0 | 111.5 | S192 I193 | S192-S207 WeakPolarHBondContact CA-OG 3.28Å; S192-S207 WeakPolarHBondContact CB-O 3.49Å; S192-S207 WeakPolarHBondContact CB-OG 3.28Å; I193-S207 PolarHBondContact N-OG 2.86Å; I193-S207 WeakPolarHBondContact O-CB 3.33Å; I193-S207 PolarHBondContact O-N 2.92Å |
| 208 | R | 93.1 | Very high | 85.9 | Confident | 231 Ų | 231 | 86.7 Ų | 86.7 | 87% | 0.872 | 47% | 0.472 | S | S | * | . | P | Polyproline II helix | trans | -58 | 138.3 | 160.6 | -66.3 | -177.6 | -179.9 | 178.2 | 0.6 | 108.5 | ||
| 209 | P | 92.6 | Very high | 84.9 | Confident | 76 Ų | 76 | 81.6 Ų | 81.6 | 49% | 0.494 | 46% | 0.462 | S | S | . | . | P | Polyproline II helix | trans | -75.8 | 131.4 | 179.6 | 29.7 | -33.4 | 0 | 0 | 0 | 110.4 | C190 V191 | C190-P209 HydrophobicContact CB-CB 4.23Å; V191-P209 CarbonylContact O-C 3.58Å; V191-P209 WeakPolarHBondContact O-CA 3.49Å |
| 210 | E | 92.8 | Very high | 84 | Confident | 98 Ų | 98 | 79.4 Ų | 79.4 | 46% | 0.458 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 130 | 172.3 | -166.6 | 65.8 | -165.4 | 0 | 0 | 108.5 | V127 C190 V191 | V127-E210 HydrophobicContact CB-CG 4.23Å; V127-E210 HydrophobicContact CG2-CB 3.73Å; V127-E210 HydrophobicContact CG2-CG 3.82Å; C190-E210 CarbonylContact C-O 3.56Å; C190-E210 WeakPolarHBondContact CA-O 3.09Å; V191-E210 PolarHBondContact N-O 2.95Å; V191-E210 PolarHBondContact O-N 2.04Å |
| 211 | C | 91.8 | Very high | 83.6 | Confident | 71 Ų | 71 | 83.9 Ų | 83.9 | 48% | 0.48 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 138.6 | -166.6 | -58.7 | 0 | 0 | 0 | 0 | 113.1 | Y189 C190 | Y189-C211 CarbonylContact O-C 3.59Å; Y189-C211 VanDerWaalsContact O-CA 3.26Å; Y189-C211 WeakPolarHBondContact O-CA 3.26Å; C190-C211 HydrophobicContact CB-CB 4.13Å; C190-C211 WeakPolarHBondContact CB-SG 3.37Å; C190-C211 WeakPolarHBondContact SG-CB 3.2Å; C190-C211 CovalentContact SG-SG 2.04Å; C190-C211 PolarHBondContact SG-SG 2.98Å |
| 212 | I | 90.3 | Very high | 83.2 | Confident | 32 Ų | 32 | 79.2 Ų | 79.2 | 16% | 0.164 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 142.5 | 173.7 | -167 | 169.4 | 0 | 0 | 0 | 111.2 | V127 L134 N188 Y189 I214 | V127-I212 HydrophobicContact CG1-CB 4.23Å; V127-I212 HydrophobicContact CG1-CG2 3.75Å; L134-I212 HydrophobicContact CD1-CG2 3.71Å; N188-I212 WeakPolarHBondContact CA-O 3.05Å; Y189-I212 PolarHBondContact N-O 2.82Å; Y189-I212 PolarHBondContact O-N 2.82Å; I212-I214 HydrophobicContact CD1-CD1 4.3Å; I212-I214 HydrophobicContact CG1-CD1 4.2Å; I212-I214 HydrophobicContact CG2-CD1 3.97Å |
| 213 | S | 89 | Confident | 82.7 | Confident | 84 Ų | 84 | 81.6 Ų | 81.6 | 59% | 0.587 | 47% | 0.472 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101 | 118.5 | 172.9 | -56.3 | 0 | 0 | 0 | 0 | 109.8 | N188 | N188-S213 WeakPolarHBondContact OD1-CA 3.44Å; N188-S213 VanDerWaalsContact OD1-CB 3.28Å; N188-S213 WeakPolarHBondContact OD1-CB 3.38Å; N188-S213 PolarHBondContact OD1-OG 3.25Å; N188-S213 VanDerWaalsContact OD1-OG 3.04Å |
| 214 | I | 86.6 | Confident | 82.4 | Confident | 17 Ų | 17 | 82.4 Ų | 82.4 | 9% | 0.087 | 47% | 0.473 | C | S | . | . | P | Polyproline II helix | trans | -87.1 | 122.3 | 177.3 | -51.8 | -50 | 0 | 0 | 0 | 108.4 | L183 G186 R187 Y189 I212 | L183-I214 HydrophobicContact CB-CG1 4.43Å; L183-I214 HydrophobicContact CB-CG2 4.48Å; L183-I214 HydrophobicContact CD1-CD1 3.58Å; L183-I214 HydrophobicContact CD1-CG1 3.93Å; L183-I214 HydrophobicContact CD1-CG2 4.49Å; L183-I214 HydrophobicContact CD2-CD1 4.25Å; L183-I214 HydrophobicContact CD2-CG1 4.01Å; L183-I214 HydrophobicContact CG-CD1 4.46Å; L183-I214 HydrophobicContact CG-CG1 4.36Å; G186-I214 WeakPolarHBondContact CA-O 3.24Å; G186-I214 PolarHBondContact N-O 3.25Å; R187-I214 PolarHBondContact N-O 3.41Å; R187-I214 PolarHBondContact O-N 2.96Å; Y189-I214 HydrophobicContact CD2-CG1 3.85Å; Y189-I214 HydrophobicContact CE2-CG1 4.01Å; I212-I214 HydrophobicContact CD1-CD1 4.3Å; I212-I214 HydrophobicContact CG1-CD1 4.2Å; I212-I214 HydrophobicContact CG2-CD1 3.97Å |
| 215 | P | 79.9 | Confident | 82 | Confident | 102 Ų | 102 | 84.5 Ų | 84.5 | 66% | 0.662 | 49% | 0.488 | S | S | * | . | P | Polyproline II helix | trans | -58.9 | 144.3 | 179.9 | 24 | -33.1 | 0 | 0 | 0 | 111.1 | G186 | G186-P215 PolarHBondContact N-O 3.2Š|
| 216 | G | 74.9 | Confident | 81.7 | Confident | 32 Ų | 32 | 80.5 Ų | 80.5 | 33% | 0.33 | 48% | 0.475 | S | S | . | . | P | Polyproline II helix | trans | -65.5 | 157.6 | 172 | 0 | 0 | 0 | 0 | 0 | 111.5 | F218 | G216-F218 PolarHBondContact O-N 3.09Š|
| 217 | P | 68.1 | Low | 81.6 | Confident | 101 Ų | 101 | 82.4 Ų | 82.4 | 66% | 0.656 | 49% | 0.491 | S | S | * | . | S | Bend | trans | -68.4 | -19.4 | 174.4 | 31.7 | -28.8 | 0 | 0 | 0 | 110.8 | P185 | P185-P217 HydrophobicContact CB-CG 4.33Š|
| 218 | F | 63.9 | Low | 81.5 | Confident | 150 Ų | 150 | 86 Ų | 86 | 66% | 0.658 | 51% | 0.507 | S | S | * | . | S | Bend | trans | -122.1 | 124.2 | 168.1 | -56 | -68.6 | 0 | 0 | 0 | 107.4 | G216 V223 | G216-F218 PolarHBondContact O-N 3.09Å; F218-V223 HydrophobicContact CB-CG2 3.65Å; F218-V223 HydrophobicContact CD1-CG2 3.94Å; F218-V223 HydrophobicContact CG-CG2 3.85Å |
| 219 | S | 62.8 | Low | 81.4 | Confident | 63 Ų | 63 | 78.4 Ų | 78.4 | 44% | 0.441 | 49% | 0.489 | S | S | . | . | trans | -65.8 | 143.4 | 152.8 | 57.1 | 0 | 0 | 0 | 0 | 107.6 | D221 A222 V223 | S219-D221 PolarHBondContact O-N 3.47Å; S219-D221 VanDerWaalsContact O-N 3.09Å; S219-A222 PolarHBondContact O-N 3.19Å; S219-A222 VanDerWaalsContact O-N 3.13Å; S219-A222 VanDerWaalsContact OG-CB 3.24Å; S219-A222 WeakPolarHBondContact OG-CB 3.48Å; S219-A222 PolarHBondContact OG-N 2.77Å; S219-A222 VanDerWaalsContact OG-N 3.11Å; S219-V223 PolarHBondContact O-N 3.45Å | ||
| 220 | S | 64.7 | Low | 81.5 | Confident | 84 Ų | 84 | 81 Ų | 81 | 59% | 0.587 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -45.2 | -40.6 | 168 | 40.6 | 0 | 0 | 0 | 0 | 110.7 | V223 V224 | S220-V223 PolarHBondContact O-N 3.47Å; S220-V224 WeakPolarHBondContact O-CB 3.39Å; S220-V224 VanDerWaalsContact O-CG2 3.23Å; S220-V224 WeakPolarHBondContact O-CG2 3.12Å; S220-V224 PolarHBondContact O-N 2.74Å |
| 221 | D | 69.9 | Low | 81.6 | Confident | 115 Ų | 115 | 81.5 Ų | 81.5 | 62% | 0.615 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -71.5 | -35.4 | -172.2 | -46.1 | -13.8 | 0 | 0 | 0 | 111.7 | S219 S225 | S219-D221 PolarHBondContact O-N 3.47Å; S219-D221 VanDerWaalsContact O-N 3.09Å; D221-S225 WeakPolarHBondContact O-CB 3.37Å; D221-S225 PolarHBondContact O-N 3.13Å |
| 222 | A | 74.8 | Confident | 81.8 | Confident | 51 Ų | 51 | 81.7 Ų | 81.7 | 42% | 0.421 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -69.1 | -40.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | S219 S225 A226 | S219-A222 PolarHBondContact O-N 3.19Å; S219-A222 VanDerWaalsContact O-N 3.13Å; S219-A222 VanDerWaalsContact OG-CB 3.24Å; S219-A222 WeakPolarHBondContact OG-CB 3.48Å; S219-A222 PolarHBondContact OG-N 2.77Å; S219-A222 VanDerWaalsContact OG-N 3.11Å; A222-S225 PolarHBondContact O-N 3.11Å; A222-A226 WeakPolarHBondContact O-CB 3.4Å; A222-A226 PolarHBondContact O-N 2.91Å |
| 223 | V | 78.6 | Confident | 82 | Confident | 66 Ų | 66 | 85.3 Ų | 85.3 | 40% | 0.4 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -69.3 | -44 | 176.3 | 169.5 | 0 | 0 | 0 | 0 | 110.9 | F218 S219 S220 S225 A226 V227 | F218-V223 HydrophobicContact CB-CG2 3.65Å; F218-V223 HydrophobicContact CD1-CG2 3.94Å; F218-V223 HydrophobicContact CG-CG2 3.85Å; S219-V223 PolarHBondContact O-N 3.45Å; S220-V223 PolarHBondContact O-N 3.47Å; V223-S225 VanDerWaalsContact C-N 3.32Å; V223-S225 PolarHBondContact O-N 3.09Å; V223-A226 PolarHBondContact O-N 3.28Å; V223-V227 HydrophobicContact CG1-CG2 4.41Å; V223-V227 WeakPolarHBondContact O-CB 3.29Å; V223-V227 VanDerWaalsContact O-CG2 3.3Å; V223-V227 WeakPolarHBondContact O-CG2 3.46Å; V223-V227 PolarHBondContact O-N 3.34Å |
| 224 | V | 82.4 | Confident | 82.3 | Confident | 97 Ų | 97 | 83.4 Ų | 83.4 | 59% | 0.588 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -60.9 | -41.7 | 174.3 | 168.8 | 0 | 0 | 0 | 0 | 110.9 | S220 V227 L228 | S220-V224 WeakPolarHBondContact O-CB 3.39Å; S220-V224 VanDerWaalsContact O-CG2 3.23Å; S220-V224 WeakPolarHBondContact O-CG2 3.12Å; S220-V224 PolarHBondContact O-N 2.74Å; V224-V227 PolarHBondContact O-N 2.84Å; V224-L228 VanDerWaalsContact O-CB 3.25Å; V224-L228 WeakPolarHBondContact O-CB 3.25Å; V224-L228 PolarHBondContact O-N 3.29Å |
| 225 | S | 84.6 | Confident | 82.7 | Confident | 75 Ų | 75 | 86.1 Ų | 86.1 | 52% | 0.524 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.4 | -44 | 175.2 | -175.7 | 0 | 0 | 0 | 0 | 112.3 | D221 A222 V223 L228 S229 | D221-S225 WeakPolarHBondContact O-CB 3.37Å; D221-S225 PolarHBondContact O-N 3.13Å; A222-S225 PolarHBondContact O-N 3.11Å; V223-S225 VanDerWaalsContact C-N 3.32Å; V223-S225 PolarHBondContact O-N 3.09Å; S225-L228 PolarHBondContact O-N 2.85Å; S225-S229 VanDerWaalsContact O-CB 3.29Å; S225-S229 WeakPolarHBondContact O-CB 3.36Å; S225-S229 PolarHBondContact O-N 3.31Å |
| 226 | A | 88.1 | Confident | 83.3 | Confident | 60 Ų | 60 | 85.6 Ų | 85.6 | 50% | 0.496 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.8 | -44.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | A222 V223 S229 L230 | A222-A226 WeakPolarHBondContact O-CB 3.4Å; A222-A226 PolarHBondContact O-N 2.91Å; V223-A226 PolarHBondContact O-N 3.28Å; A226-S229 PolarHBondContact O-N 3.41Å; A226-L230 WeakPolarHBondContact O-CB 3.4Å; A226-L230 PolarHBondContact O-N 3.33Å |
| 227 | V | 91.1 | Very high | 84.3 | Confident | 96 Ų | 96 | 87.9 Ų | 87.9 | 58% | 0.582 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.3 | -43.1 | 176.6 | 171.6 | 0 | 0 | 0 | 0 | 111.4 | V223 V224 L230 L231 | V223-V227 HydrophobicContact CG1-CG2 4.41Å; V223-V227 WeakPolarHBondContact O-CB 3.29Å; V223-V227 VanDerWaalsContact O-CG2 3.3Å; V223-V227 WeakPolarHBondContact O-CG2 3.46Å; V223-V227 PolarHBondContact O-N 3.34Å; V224-V227 PolarHBondContact O-N 2.84Å; V227-L230 PolarHBondContact O-N 3.43Å; V227-L231 WeakPolarHBondContact O-CB 3.3Å; V227-L231 PolarHBondContact O-N 2.89Å |
| 228 | L | 90.8 | Very high | 85.4 | Confident | 104 Ų | 104 | 87.7 Ų | 87.7 | 55% | 0.545 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.5 | -42.2 | 176.6 | -176.1 | 70 | 0 | 0 | 0 | 111.6 | V224 S225 L231 V232 | V224-L228 VanDerWaalsContact O-CB 3.25Å; V224-L228 WeakPolarHBondContact O-CB 3.25Å; V224-L228 PolarHBondContact O-N 3.29Å; S225-L228 PolarHBondContact O-N 2.85Å; L228-L231 WeakPolarHBondContact O-CB 3.23Å; L228-L231 PolarHBondContact O-N 3.42Å; L228-V232 WeakPolarHBondContact O-CG2 3.33Å; L228-V232 PolarHBondContact O-N 2.99Å |
| 229 | S | 92.1 | Very high | 86.6 | Confident | 72 Ų | 72 | 84.2 Ų | 84.2 | 50% | 0.503 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61 | -44.2 | 175.5 | -173.8 | 0 | 0 | 0 | 0 | 111.6 | S225 A226 V232 M233 | S225-S229 VanDerWaalsContact O-CB 3.29Å; S225-S229 WeakPolarHBondContact O-CB 3.36Å; S225-S229 PolarHBondContact O-N 3.31Å; A226-S229 PolarHBondContact O-N 3.41Å; S229-V232 PolarHBondContact O-N 2.88Å; S229-M233 WeakPolarHBondContact O-CG 3.44Å; S229-M233 PolarHBondContact O-N 2.99Å |
| 230 | L | 94.8 | Very high | 87.8 | Confident | 131 Ų | 131 | 83.8 Ų | 83.8 | 69% | 0.686 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -65.4 | -39.1 | 177.2 | -169.4 | 147 | 0 | 0 | 0 | 112.1 | A226 V227 M233 A234 | A226-L230 WeakPolarHBondContact O-CB 3.4Å; A226-L230 PolarHBondContact O-N 3.33Å; V227-L230 PolarHBondContact O-N 3.43Å; L230-M233 PolarHBondContact O-N 3.49Å; L230-A234 WeakPolarHBondContact O-CB 3.37Å; L230-A234 PolarHBondContact O-N 2.97Å |
| 231 | L | 94.8 | Very high | 88.9 | Confident | 108 Ų | 108 | 84.2 Ų | 84.2 | 57% | 0.565 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -59.9 | -47.2 | 173.1 | -171.4 | 85.8 | 0 | 0 | 0 | 111.6 | V227 L228 M233 A234 V235 | V227-L231 WeakPolarHBondContact O-CB 3.3Å; V227-L231 PolarHBondContact O-N 2.89Å; L228-L231 WeakPolarHBondContact O-CB 3.23Å; L228-L231 PolarHBondContact O-N 3.42Å; L231-M233 PolarHBondContact O-N 3.37Å; L231-A234 PolarHBondContact O-N 3.48Å; L231-V235 WeakPolarHBondContact O-CG2 3.47Å; L231-V235 PolarHBondContact O-N 3.36Å |
| 232 | V | 95.6 | Very high | 89.6 | Confident | 75 Ų | 75 | 81.8 Ų | 81.8 | 46% | 0.455 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.7 | -44.8 | 178.5 | 170.3 | 0 | 0 | 0 | 0 | 110.9 | L228 S229 A234 V235 I236 | L228-V232 WeakPolarHBondContact O-CG2 3.33Å; L228-V232 PolarHBondContact O-N 2.99Å; S229-V232 PolarHBondContact O-N 2.88Å; V232-A234 PolarHBondContact O-N 3.32Å; V232-V235 PolarHBondContact O-N 2.92Å; V232-I236 HydrophobicContact CG1-CD1 3.88Å; V232-I236 WeakPolarHBondContact O-CG1 3.44Å; V232-I236 PolarHBondContact O-N 3.29Å |
| 233 | M | 94.4 | Very high | 90 | Very high | 109 Ų | 109 | 84.7 Ų | 84.7 | 54% | 0.537 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.4 | -41.3 | 176.2 | -70.2 | -59.4 | -65.2 | 0 | 0 | 112.3 | S229 L230 L231 V235 I236 V237 | S229-M233 WeakPolarHBondContact O-CG 3.44Å; S229-M233 PolarHBondContact O-N 2.99Å; L230-M233 PolarHBondContact O-N 3.49Å; L231-M233 PolarHBondContact O-N 3.37Å; M233-V235 PolarHBondContact O-N 2.96Å; M233-I236 PolarHBondContact O-N 2.9Å; M233-I236 HydrophobicContact SD-CD1 4.37Å; M233-V237 WeakPolarHBondContact O-CG2 3.37Å; M233-V237 PolarHBondContact O-N 3.29Å |
| 234 | A | 95.1 | Very high | 90 | Very high | 44 Ų | 44 | 92.6 Ų | 92.6 | 36% | 0.364 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.5 | -43 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L230 L231 V232 I236 V237 I238 | L230-A234 WeakPolarHBondContact O-CB 3.37Å; L230-A234 PolarHBondContact O-N 2.97Å; L231-A234 PolarHBondContact O-N 3.48Å; V232-A234 PolarHBondContact O-N 3.32Å; A234-I236 PolarHBondContact O-N 3.49Å; A234-V237 PolarHBondContact O-N 3Å; A234-I238 WeakPolarHBondContact O-CD1 3.45Å; A234-I238 VanDerWaalsContact O-CG1 3.26Å; A234-I238 WeakPolarHBondContact O-CG1 3.41Å; A234-I238 PolarHBondContact O-N 3.29Å |
| 235 | V | 94.8 | Very high | 90 | Very high | 73 Ų | 73 | 92.7 Ų | 92.7 | 44% | 0.442 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.6 | -43.6 | 175.4 | 170.7 | 0 | 0 | 0 | 0 | 111.4 | L231 V232 M233 V237 I238 I239 | L231-V235 WeakPolarHBondContact O-CG2 3.47Å; L231-V235 PolarHBondContact O-N 3.36Å; V232-V235 PolarHBondContact O-N 2.92Å; M233-V235 PolarHBondContact O-N 2.96Å; V235-V237 PolarHBondContact O-N 3.48Å; V235-I238 PolarHBondContact O-N 2.94Å; V235-I239 HydrophobicContact CG1-CD1 3.73Å; V235-I239 HydrophobicContact CG1-CG1 4.46Å; V235-I239 VanDerWaalsContact O-CG1 3.27Å; V235-I239 WeakPolarHBondContact O-CG1 3.49Å; V235-I239 PolarHBondContact O-N 3.41Å |
| 236 | I | 94.1 | Very high | 89.3 | Confident | 92 Ų | 92 | 90.1 Ų | 90.1 | 47% | 0.472 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.6 | -43.6 | 176.8 | -67.6 | 164.7 | 0 | 0 | 0 | 111.1 | V232 M233 A234 I239 A240 | V232-I236 HydrophobicContact CG1-CD1 3.88Å; V232-I236 WeakPolarHBondContact O-CG1 3.44Å; V232-I236 PolarHBondContact O-N 3.29Å; M233-I236 PolarHBondContact O-N 2.9Å; M233-I236 HydrophobicContact SD-CD1 4.37Å; A234-I236 PolarHBondContact O-N 3.49Å; I236-I239 PolarHBondContact O-N 3Å; I236-A240 WeakPolarHBondContact O-CB 3.31Å; I236-A240 PolarHBondContact O-N 3.5Å |
| 237 | V | 94.6 | Very high | 88.3 | Confident | 79 Ų | 79 | 94.8 Ų | 94.8 | 48% | 0.479 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.7 | -44 | 176.8 | 171.2 | 0 | 0 | 0 | 0 | 111.4 | M233 A234 V235 I239 A240 L241 | M233-V237 WeakPolarHBondContact O-CG2 3.37Å; M233-V237 PolarHBondContact O-N 3.29Å; A234-V237 PolarHBondContact O-N 3Å; V235-V237 PolarHBondContact O-N 3.48Å; V237-I239 VanDerWaalsContact C-N 3.35Å; V237-I239 PolarHBondContact O-N 2.92Å; V237-A240 PolarHBondContact O-N 3.34Å; V237-L241 HydrophobicContact CG1-CD1 3.96Å; V237-L241 HydrophobicContact CG1-CG 4.39Å; V237-L241 WeakPolarHBondContact O-CB 3.27Å; V237-L241 VanDerWaalsContact O-CG 3.31Å; V237-L241 WeakPolarHBondContact O-CG 3.27Å; V237-L241 PolarHBondContact O-N 2.91Å |
| 238 | I | 91.6 | Very high | 86.9 | Confident | 98 Ų | 98 | 94.3 Ų | 94.3 | 50% | 0.503 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.1 | -45.3 | 176 | -69.1 | 162.8 | 0 | 0 | 0 | 110.6 | A234 V235 A240 L241 L242 | A234-I238 WeakPolarHBondContact O-CD1 3.45Å; A234-I238 VanDerWaalsContact O-CG1 3.26Å; A234-I238 WeakPolarHBondContact O-CG1 3.41Å; A234-I238 PolarHBondContact O-N 3.29Å; V235-I238 PolarHBondContact O-N 2.94Å; I238-A240 PolarHBondContact O-N 2.93Å; I238-L241 PolarHBondContact O-N 3.35Å; I238-L242 HydrophobicContact CG2-CD1 3.91Å; I238-L242 HydrophobicContact CG2-CG 4.4Å; I238-L242 WeakPolarHBondContact O-CB 3.49Å; I238-L242 VanDerWaalsContact O-CG 3.28Å; I238-L242 WeakPolarHBondContact O-CG 3.28Å; I238-L242 PolarHBondContact O-N 3.5Å |
| 239 | I | 88.6 | Confident | 85.4 | Confident | 76 Ų | 76 | 92.6 Ų | 92.6 | 39% | 0.39 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.8 | -46.5 | 176.8 | -69.2 | 165.5 | 0 | 0 | 0 | 110.6 | V235 I236 V237 L241 L242 F243 | V235-I239 HydrophobicContact CG1-CD1 3.73Å; V235-I239 HydrophobicContact CG1-CG1 4.46Å; V235-I239 VanDerWaalsContact O-CG1 3.27Å; V235-I239 WeakPolarHBondContact O-CG1 3.49Å; V235-I239 PolarHBondContact O-N 3.41Å; I236-I239 PolarHBondContact O-N 3Å; V237-I239 VanDerWaalsContact C-N 3.35Å; V237-I239 PolarHBondContact O-N 2.92Å; I239-L241 VanDerWaalsContact C-N 3.34Å; I239-L241 PolarHBondContact O-N 2.95Å; I239-L242 PolarHBondContact O-N 3.2Å; I239-F243 HydrophobicContact CG2-CD2 3.71Å; I239-F243 HydrophobicContact CG2-CE2 3.61Å; I239-F243 VanDerWaalsContact O-CD2 3.27Å; I239-F243 WeakPolarHBondContact O-CD2 3.49Å; I239-F243 PolarHBondContact O-N 3.42Å |
| 240 | A | 87.8 | Confident | 83.6 | Confident | 54 Ų | 54 | 95.5 Ų | 95.5 | 45% | 0.446 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.5 | -41 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | I236 V237 I238 F243 W244 | I236-A240 WeakPolarHBondContact O-CB 3.31Å; I236-A240 PolarHBondContact O-N 3.5Å; V237-A240 PolarHBondContact O-N 3.34Å; I238-A240 PolarHBondContact O-N 2.93Å; A240-F243 PolarHBondContact O-N 3.31Å; A240-W244 WeakPolarHBondContact O-CB 3.26Å; A240-W244 PolarHBondContact O-N 2.94Å |
| 241 | L | 88.1 | Confident | 81.5 | Confident | 94 Ų | 94 | 99.3 Ų | 99.3 | 49% | 0.492 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.9 | -39.1 | 174.6 | -70.2 | 171.5 | 0 | 0 | 0 | 112.2 | V237 I238 I239 F243 W244 T245 | V237-L241 HydrophobicContact CG1-CD1 3.96Å; V237-L241 HydrophobicContact CG1-CG 4.39Å; V237-L241 WeakPolarHBondContact O-CB 3.27Å; V237-L241 VanDerWaalsContact O-CG 3.31Å; V237-L241 WeakPolarHBondContact O-CG 3.27Å; V237-L241 PolarHBondContact O-N 2.91Å; I238-L241 PolarHBondContact O-N 3.35Å; I239-L241 VanDerWaalsContact C-N 3.34Å; I239-L241 PolarHBondContact O-N 2.95Å; L241-F243 VanDerWaalsContact C-N 3.32Å; L241-F243 PolarHBondContact O-N 3.28Å; L241-W244 PolarHBondContact O-N 2.92Å; L241-T245 WeakPolarHBondContact O-CB 3.35Å; L241-T245 WeakPolarHBondContact O-CG2 3.49Å; L241-T245 PolarHBondContact O-N 3.34Å; L241-T245 PolarHBondContact O-OG1 3.13Å |
| 242 | L | 85.9 | Confident | 79.6 | Confident | 63 Ų | 63 | 105.2 Ų | 105.2 | 33% | 0.33 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -68.9 | -28.3 | 175.5 | -70.4 | 171 | 0 | 0 | 0 | 113.1 | I238 I239 F247 I248 | I238-L242 HydrophobicContact CG2-CD1 3.91Å; I238-L242 HydrophobicContact CG2-CG 4.4Å; I238-L242 WeakPolarHBondContact O-CB 3.49Å; I238-L242 VanDerWaalsContact O-CG 3.28Å; I238-L242 WeakPolarHBondContact O-CG 3.28Å; I238-L242 PolarHBondContact O-N 3.5Å; I239-L242 PolarHBondContact O-N 3.2Å; L242-F247 HydrophobicContact CD2-CB 4.1Å; L242-F247 HydrophobicContact CD2-CG 4.47Å; L242-F247 PolarHBondContact O-N 3.49Å; L242-I248 HydrophobicContact CB-CD1 3.55Å; L242-I248 HydrophobicContact CB-CG1 4.02Å; L242-I248 HydrophobicContact CD1-CD1 4.34Å; L242-I248 PolarHBondContact O-N 2.69Å |
| 243 | F | 82.4 | Confident | 77.8 | Confident | 113 Ų | 113 | 106.3 Ų | 106.3 | 50% | 0.496 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -71.3 | -48.7 | 168.2 | -86.3 | -71.1 | 0 | 0 | 0 | 111.6 | I239 A240 L241 G246 I248 | I239-F243 HydrophobicContact CG2-CD2 3.71Å; I239-F243 HydrophobicContact CG2-CE2 3.61Å; I239-F243 VanDerWaalsContact O-CD2 3.27Å; I239-F243 WeakPolarHBondContact O-CD2 3.49Å; I239-F243 PolarHBondContact O-N 3.42Å; A240-F243 PolarHBondContact O-N 3.31Å; L241-F243 VanDerWaalsContact C-N 3.32Å; L241-F243 PolarHBondContact O-N 3.28Å; F243-G246 PolarHBondContact O-N 3.46Å; F243-G246 VanDerWaalsContact O-N 3.13Å; F243-I248 HydrophobicContact CD1-CG2 4.4Å; F243-I248 HydrophobicContact CD2-CD1 4.45Å; F243-I248 HydrophobicContact CE1-CB 4.48Å; F243-I248 HydrophobicContact CE1-CG2 3.9Å; F243-I248 HydrophobicContact CE2-CD1 4.4Å; F243-I248 HydrophobicContact CZ-CG2 4.16Å |
| 244 | W | 79.3 | Confident | 75.9 | Confident | 232 Ų | 232 | 106.9 Ų | 106.9 | 88% | 0.879 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -66.9 | -41.8 | -177.1 | -160 | -19 | 0 | 0 | 0 | 112.5 | A240 L241 G246 | A240-W244 WeakPolarHBondContact O-CB 3.26Å; A240-W244 PolarHBondContact O-N 2.94Å; L241-W244 PolarHBondContact O-N 2.92Å; W244-G246 PolarHBondContact O-N 3.13Å; W244-G246 VanDerWaalsContact O-N 3.13Å |
| 245 | T | 81.3 | Confident | 73.9 | Confident | 98 Ų | 98 | 112.8 Ų | 112.8 | 60% | 0.601 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | -0.3 | 174.5 | 56.2 | 0 | 0 | 0 | 0 | 113.6 | L241 F247 | L241-T245 WeakPolarHBondContact O-CB 3.35Å; L241-T245 WeakPolarHBondContact O-CG2 3.49Å; L241-T245 PolarHBondContact O-N 3.34Å; L241-T245 PolarHBondContact O-OG1 3.13Å; T245-F247 PolarHBondContact O-N 2.92Å |
| 246 | G | 70.6 | Confident | 71.9 | Confident | 21 Ų | 21 | 114.2 Ų | 114.2 | 22% | 0.216 | 59% | 0.588 | C | S | . | * | S | Bend | trans | 75.5 | -2.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | F243 W244 I248 C249 L250 | F243-G246 PolarHBondContact O-N 3.46Å; F243-G246 VanDerWaalsContact O-N 3.13Å; W244-G246 PolarHBondContact O-N 3.13Å; W244-G246 VanDerWaalsContact O-N 3.13Å; G246-I248 PolarHBondContact O-N 2.86Å; G246-I248 VanDerWaalsContact O-N 3.12Å; G246-C249 PolarHBondContact O-N 3.49Å; G246-L250 WeakPolarHBondContact O-CG 3.32Å; G246-L250 PolarHBondContact O-N 3.18Å |
| 247 | F | 67.8 | Low | 69.9 | Low | 159 Ų | 159 | 115 Ų | 115 | 70% | 0.697 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.1 | -31.5 | -174 | -138.3 | -92.5 | 0 | 0 | 0 | 113.1 | L242 T245 | L242-F247 HydrophobicContact CD2-CB 4.1Å; L242-F247 HydrophobicContact CD2-CG 4.47Å; L242-F247 PolarHBondContact O-N 3.49Å; T245-F247 PolarHBondContact O-N 2.92Å |
| 248 | I | 61.5 | Low | 67.9 | Low | 86 Ų | 86 | 117 Ų | 117 | 44% | 0.441 | 61% | 0.614 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89.1 | -22.6 | 175.7 | -64.6 | 172.3 | 0 | 0 | 0 | 112.5 | L242 F243 G246 | L242-I248 HydrophobicContact CB-CD1 3.55Å; L242-I248 HydrophobicContact CB-CG1 4.02Å; L242-I248 HydrophobicContact CD1-CD1 4.34Å; L242-I248 PolarHBondContact O-N 2.69Å; F243-I248 HydrophobicContact CD1-CG2 4.4Å; F243-I248 HydrophobicContact CD2-CD1 4.45Å; F243-I248 HydrophobicContact CE1-CB 4.48Å; F243-I248 HydrophobicContact CE1-CG2 3.9Å; F243-I248 HydrophobicContact CE2-CD1 4.4Å; F243-I248 HydrophobicContact CZ-CG2 4.16Å; G246-I248 PolarHBondContact O-N 2.86Å; G246-I248 VanDerWaalsContact O-N 3.12Å |
| 249 | C | 58.5 | Low | 65.9 | Low | 68 Ų | 68 | 119.6 Ų | 119.6 | 46% | 0.459 | 63% | 0.628 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -98.1 | -7.4 | -173.3 | -67.7 | 0 | 0 | 0 | 0 | 115 | G246 K251 R252 | G246-C249 PolarHBondContact O-N 3.49Å; C249-K251 PolarHBondContact O-N 3.13Å; C249-R252 PolarHBondContact O-N 2.97Å; C249-R252 VanDerWaalsContact O-N 3.13Å |
| 250 | L | 53.8 | Low | 64.1 | Low | 133 Ų | 133 | 122 Ų | 122 | 70% | 0.696 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.6 | -9.8 | -178 | -85.7 | 161.9 | 0 | 0 | 0 | 115.8 | G246 | G246-L250 WeakPolarHBondContact O-CG 3.32Å; G246-L250 PolarHBondContact O-N 3.18Å |
| 251 | K | 51.8 | Low | 62 | Low | 211 Ų | 211 | 123.7 Ų | 123.7 | 92% | 0.917 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.8 | 11 | 174.9 | -154.5 | 171.9 | 179.6 | 176.4 | 0 | 114.3 | C249 | C249-K251 PolarHBondContact O-N 3.13Š|
| 252 | R | 55.1 | Low | 59.9 | Low | 232 Ų | 232 | 126.4 Ų | 126.4 | 88% | 0.875 | 67% | 0.668 | S | S | * | * | trans | -138.5 | 35.8 | -179.6 | -141.6 | 174.6 | -168.6 | 156.8 | 2.2 | 115.5 | C249 | C249-R252 PolarHBondContact O-N 2.97Å; C249-R252 VanDerWaalsContact O-N 3.13Å | ||
| 253 | S | 56.1 | Low | 57.8 | Low | 97 Ų | 97 | 132.6 Ų | 132.6 | 68% | 0.678 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 137.6 | 152.1 | 47.1 | 0 | 0 | 0 | 0 | 109.3 | ||
| 254 | P | 55.4 | Low | 55.9 | Low | 122 Ų | 122 | 135.3 Ų | 135.3 | 79% | 0.792 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -67 | 139.3 | 173.2 | 28 | -32.9 | 0 | 0 | 0 | 109.7 | ||
| 255 | M | 53.2 | Low | 54.1 | Low | 167 Ų | 167 | 131.7 Ų | 131.7 | 82% | 0.823 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 141.4 | 171.4 | -79.2 | -175 | 165 | 0 | 0 | 110.2 | ||
| 256 | P | 52.6 | Low | 52.1 | Low | 103 Ų | 103 | 134.3 Ų | 134.3 | 67% | 0.669 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 137.8 | 178.5 | 27 | -34.2 | 0 | 0 | 0 | 111 | V258 | P256-V258 HydrophobicContact CB-CG2 4.42Å; P256-V258 PolarHBondContact O-N 3.03Å |
| 257 | S | 52.6 | Low | 50.5 | Low | 110 Ų | 110 | 140.5 Ų | 140.5 | 77% | 0.769 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.9 | 35 | -171.2 | -46.9 | 0 | 0 | 0 | 0 | 115.9 | ||
| 258 | V | 52.3 | Low | 48.9 | Very low | 120 Ų | 120 | 139.7 Ų | 139.7 | 73% | 0.727 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.4 | 0.3 | -173.4 | -164.7 | 0 | 0 | 0 | 0 | 112.3 | P256 | P256-V258 HydrophobicContact CB-CG2 4.42Å; P256-V258 PolarHBondContact O-N 3.03Å |
| 259 | L | 50.4 | Low | 47.5 | Very low | 152 Ų | 152 | 144.2 Ų | 144.2 | 80% | 0.796 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -104.5 | 16.3 | -179.5 | -70.2 | 174.1 | 0 | 0 | 0 | 114.5 | ||
| 260 | T | 49.2 | Very low | 46.4 | Very low | 128 Ų | 128 | 147.6 Ų | 147.6 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | trans | -108.5 | 26.2 | -177 | 50.1 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 261 | S | 43.3 | Very low | 45.4 | Very low | 88 Ų | 88 | 146.4 Ų | 146.4 | 62% | 0.615 | 78% | 0.778 | S | S | * | * | trans | -134.4 | 80.7 | 170.7 | 64.3 | 0 | 0 | 0 | 0 | 112 | F263 | S261-F263 PolarHBondContact O-N 2.9Š| ||
| 262 | I | 44 | Very low | 44.4 | Very low | 151 Ų | 151 | 141.6 Ų | 141.6 | 77% | 0.774 | 77% | 0.771 | S | S | * | * | trans | -82 | 104.6 | 165.2 | -62 | 172.2 | 0 | 0 | 0 | 107.3 | ||||
| 263 | F | 42.6 | Very low | 43.2 | Very low | 193 Ų | 193 | 136.6 Ų | 136.6 | 85% | 0.846 | 77% | 0.77 | S | S | * | * | trans | -89.2 | 122.1 | 163.3 | -86.2 | -82.8 | 0 | 0 | 0 | 109.3 | S261 | S261-F263 PolarHBondContact O-N 2.9Š| ||
| 264 | H | 43.2 | Very low | 42 | Very low | 170 Ų | 170 | 135.2 Ų | 135.2 | 79% | 0.787 | 77% | 0.771 | S | S | * | * | trans | -84.7 | 119.9 | 168.9 | -106.8 | -92.2 | 0 | 0 | 0 | 109.5 | ||||
| 265 | L | 41.6 | Very low | 40.8 | Very low | 157 Ų | 157 | 137.2 Ų | 137.2 | 82% | 0.822 | 78% | 0.775 | S | S | * | * | trans | 172.8 | 148.3 | 158.8 | -96.5 | 140.9 | 0 | 0 | 0 | 107.7 | ||||
| 266 | E | 38.9 | Very low | 40 | Very low | 152 Ų | 152 | 133.7 Ų | 133.7 | 71% | 0.71 | 77% | 0.773 | S | S | * | * | cis | -162.3 | 160.1 | -37.5 | 177.5 | 156.7 | -160.2 | 0 | 0 | 106.1 | ||||
| 267 | E | 37.2 | Very low | 40 | Very low | 151 Ų | 151 | 134.5 Ų | 134.5 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | trans | 20.7 | 111.1 | 167.7 | -67.2 | -169.9 | 135.1 | 0 | 0 | 120.8 | ||||
| 268 | V | 34.4 | Very low | 39 | Very low | 143 Ų | 143 | 134.2 Ų | 134.2 | 87% | 0.867 | 78% | 0.776 | S | S | * | * | -130 | 118.4 | 124.7 | 179.8 | 0 | 0 | 0 | 0 | 109.5 | V270 | V268-V270 HydrophobicContact CG1-CG2 4.37Š| |||
| 269 | K | 31.3 | Very low | 38 | Very low | 181 Ų | 181 | 133 Ų | 133 | 79% | 0.787 | 77% | 0.773 | S | S | * | * | trans | -100.5 | 108.5 | -176 | -177.8 | 178.6 | -174.1 | 172.8 | 0 | 109.4 | ||||
| 270 | V | 34.5 | Very low | 37.3 | Very low | 139 Ų | 139 | 133.4 Ų | 133.4 | 84% | 0.842 | 78% | 0.775 | S | S | * | * | trans | -121.3 | 122.8 | 165.4 | -179.5 | 0 | 0 | 0 | 0 | 108.8 | V268 | V268-V270 HydrophobicContact CG1-CG2 4.37Š| ||
| 271 | S | 34.1 | Very low | 36.9 | Very low | 107 Ų | 107 | 134.9 Ų | 134.9 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | trans | -122.2 | 120.3 | -174 | 162.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 272 | S | 29.8 | Very low | 36.5 | Very low | 110 Ų | 110 | 137.9 Ų | 137.9 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | trans | -174.9 | 99.8 | 147 | -168.2 | 0 | 0 | 0 | 0 | 107 | ||||
| 273 | C | 29.6 | Very low | 36 | Very low | 127 Ų | 127 | 137.9 Ų | 137.9 | 86% | 0.858 | 79% | 0.787 | S | S | * | * | 77.9 | 122.9 | 76.5 | -163.7 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 274 | G | 31.5 | Very low | 35.5 | Very low | 68 Ų | 68 | 139.3 Ų | 139.3 | 70% | 0.701 | 79% | 0.786 | S | S | * | * | trans | 163.1 | 64 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 275 | D | 29.9 | Very low | 35.1 | Very low | 164 Ų | 164 | 136.8 Ų | 136.8 | 88% | 0.877 | 79% | 0.787 | S | S | * | * | trans | 57.3 | 108.7 | 154.7 | -51.7 | -28.4 | 0 | 0 | 0 | 121.9 | ||||
| 276 | A | 36.9 | Very low | 34.5 | Very low | 93 Ų | 93 | 138.1 Ų | 138.1 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | trans | -108.1 | 171.4 | 142.7 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 277 | P | 52.3 | Low | 34.4 | Very low | 120 Ų | 120 | 135 Ų | 135 | 78% | 0.779 | 79% | 0.792 | S | S | * | * | cis | -134.2 | -170.5 | 21.9 | 37.1 | -12.7 | 0 | 0 | 0 | 112.3 | ||||
| 278 | S | 32.8 | Very low | 34.7 | Very low | 104 Ų | 104 | 133.5 Ų | 133.5 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | cis | 179.9 | 167.1 | 44.1 | 49.7 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 279 | S | 30 | Very low | 35.2 | Very low | 95 Ų | 95 | 132.7 Ų | 132.7 | 66% | 0.664 | 79% | 0.793 | S | S | * | * | trans | 69.7 | 99.4 | 153.8 | -163.2 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 280 | L | 37.2 | Very low | 35.3 | Very low | 160 Ų | 160 | 129 Ų | 129 | 84% | 0.838 | 80% | 0.797 | S | S | * | * | 55 | 118.3 | 86.6 | -66.5 | 172.6 | 0 | 0 | 0 | 114.1 | |||||
| 281 | L | 39.7 | Very low | 35.3 | Very low | 159 Ų | 159 | 126 Ų | 126 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | -168.1 | 123.4 | 118.7 | -101.8 | 163.8 | 0 | 0 | 0 | 111.4 | |||||
| 282 | N | 34.1 | Very low | 35.1 | Very low | 151 Ų | 151 | 130 Ų | 130 | 81% | 0.807 | 80% | 0.797 | S | S | * | * | trans | -61.9 | 141.7 | 150.6 | -84.9 | -45.9 | 0 | 0 | 0 | 108.2 | ||||
| 283 | I | 34.3 | Very low | 35.3 | Very low | 152 Ų | 152 | 134.9 Ų | 134.9 | 78% | 0.779 | 80% | 0.799 | S | S | * | * | trans | -179.5 | 121.3 | 132 | -98.4 | 158.4 | 0 | 0 | 0 | 113.5 | ||||
| 284 | R | 31.7 | Very low | 35.2 | Very low | 223 Ų | 223 | 134.3 Ų | 134.3 | 84% | 0.842 | 79% | 0.792 | S | S | * | * | trans | 62.8 | 118.5 | 133.3 | -161.4 | 174.1 | -165.8 | 150.4 | 3.3 | 121 | ||||
| 285 | S | 35.4 | Very low | 35.1 | Very low | 116 Ų | 116 | 136.1 Ų | 136.1 | 81% | 0.811 | 79% | 0.794 | S | S | * | * | trans | -67.6 | 135.3 | 160 | -41.5 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 286 | M | 29.4 | Very low | 35.2 | Very low | 185 Ų | 185 | 133.2 Ų | 133.2 | 91% | 0.911 | 79% | 0.786 | S | S | * | * | trans | -156 | 165.9 | 140.4 | -127.8 | 168.9 | -172.5 | 0 | 0 | 111.6 | ||||
| 287 | A | 36.8 | Very low | 34.8 | Very low | 87 Ų | 87 | 134 Ų | 134 | 72% | 0.719 | 79% | 0.786 | S | S | * | * | trans | -67.1 | 154.6 | -157.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 288 | P | 43.4 | Very low | 33.9 | Very low | 120 Ų | 120 | 131.9 Ų | 131.9 | 78% | 0.779 | 77% | 0.774 | S | S | * | * | trans | -74.2 | 145.1 | 168.4 | 31.6 | -33.9 | 0 | 0 | 0 | 111.9 | ||||
| 289 | P | 43.8 | Very low | 33.9 | Very low | 126 Ų | 126 | 135.5 Ų | 135.5 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | trans | -90.6 | 177.6 | -175.9 | 37.4 | -37.5 | 0 | 0 | 0 | 113.9 | ||||
| 290 | A | 35.1 | Very low | 34.3 | Very low | 104 Ų | 104 | 139.4 Ų | 139.4 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | trans | -66.6 | 127.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 291 | G | 33.3 | Very low | 34.3 | Very low | 74 Ų | 74 | 135.7 Ų | 135.7 | 76% | 0.763 | 77% | 0.774 | S | S | * | * | trans | 54.3 | 121.2 | 130.1 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 292 | K | 31 | Very low | 34.4 | Very low | 192 Ų | 192 | 134.5 Ų | 134.5 | 84% | 0.835 | 77% | 0.769 | S | S | * | * | -159.1 | 157 | 120.2 | -123.3 | 170.8 | -177.3 | 173.5 | 0 | 113.4 | |||||
| 293 | R | 32.6 | Very low | 34.7 | Very low | 212 Ų | 212 | 135.8 Ų | 135.8 | 80% | 0.8 | 77% | 0.77 | S | S | * | * | trans | -27.9 | 158.4 | 160.8 | -53.2 | 167.4 | -173.7 | 164.9 | -0.3 | 113.4 | ||||
| 294 | T | 28.6 | Very low | 35 | Very low | 116 Ų | 116 | 137.4 Ų | 137.4 | 71% | 0.712 | 77% | 0.774 | S | S | * | * | -176.2 | 156.2 | 50 | -36.4 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 295 | S | 29.8 | Very low | 35.2 | Very low | 106 Ų | 106 | 131.3 Ų | 131.3 | 74% | 0.741 | 77% | 0.766 | S | S | * | * | trans | 60.5 | 149.8 | 155.6 | 39.9 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 296 | S | 30.6 | Very low | 35.2 | Very low | 103 Ų | 103 | 131.1 Ų | 131.1 | 72% | 0.72 | 76% | 0.763 | S | S | * | * | cis | -171.7 | 167.7 | 4.7 | 36.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 297 | S | 29.5 | Very low | 35.7 | Very low | 109 Ų | 109 | 133.6 Ų | 133.6 | 76% | 0.762 | 76% | 0.763 | S | S | * | * | trans | 74.5 | 151.3 | 158.6 | 106.1 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 298 | S | 32.3 | Very low | 35.6 | Very low | 75 Ų | 75 | 137.7 Ų | 137.7 | 52% | 0.524 | 77% | 0.767 | S | S | . | * | cis | -167.9 | 154.5 | -8.8 | 27.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 299 | E | 34.2 | Very low | 35.2 | Very low | 180 Ų | 180 | 138.3 Ų | 138.3 | 84% | 0.841 | 77% | 0.769 | S | S | * | * | trans | 60.5 | 152.3 | 157.6 | -70.8 | 127.9 | -151.5 | 0 | 0 | 116.3 | ||||
| 300 | E | 37.5 | Very low | 34.7 | Very low | 177 Ų | 177 | 137.9 Ų | 137.9 | 83% | 0.827 | 77% | 0.768 | S | S | * | * | cis | -157 | 164.2 | -6.7 | 58.4 | -172.7 | 160.3 | 0 | 0 | 106.2 | ||||
| 301 | S | 37.1 | Very low | 34.6 | Very low | 82 Ų | 82 | 136.6 Ų | 136.6 | 57% | 0.573 | 77% | 0.765 | S | S | * | * | cis | -154.2 | 177.7 | 6.3 | -23.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 302 | D | 42.1 | Very low | 34.7 | Very low | 135 Ų | 135 | 142.2 Ų | 142.2 | 72% | 0.722 | 77% | 0.774 | S | S | * | * | trans | 38.3 | 141.7 | 131.5 | -49.7 | -23.4 | 0 | 0 | 0 | 121.7 | ||||
| 303 | E | 40.5 | Very low | 34.7 | Very low | 178 Ų | 178 | 138.9 Ų | 138.9 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | cis | -166.4 | 169.6 | 1.7 | 43.6 | -150 | 138.4 | 0 | 0 | 113.9 | ||||
| 304 | E | 40.2 | Very low | 34.9 | Very low | 185 Ų | 185 | 134 Ų | 134 | 86% | 0.864 | 77% | 0.774 | S | S | * | * | trans | 88.6 | 90.5 | 158.2 | -150.4 | 157.2 | -168.3 | 0 | 0 | 124 | ||||
| 305 | S | 35.3 | Very low | 35.2 | Very low | 95 Ų | 95 | 134.1 Ų | 134.1 | 66% | 0.664 | 78% | 0.779 | S | S | * | * | 69.5 | 113.7 | 125.1 | -156.1 | 0 | 0 | 0 | 0 | 125.2 | |||||
| 306 | C | 37.3 | Very low | 35.4 | Very low | 113 Ų | 113 | 132.1 Ų | 132.1 | 76% | 0.764 | 78% | 0.775 | S | S | * | * | trans | 35.1 | 137.3 | 131.9 | -49.3 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 307 | R | 38.9 | Very low | 35.6 | Very low | 237 Ų | 237 | 131.3 Ų | 131.3 | 89% | 0.894 | 78% | 0.775 | S | S | * | * | cis | -161.3 | 170 | 34 | -141.6 | 173.3 | -163.7 | 159.8 | 5.4 | 112.9 | ||||
| 308 | E | 34 | Very low | 35.8 | Very low | 172 Ų | 172 | 132 Ų | 132 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | trans | -78 | 150.2 | -165.9 | -51.5 | 156.2 | 119.7 | 0 | 0 | 115.5 | ||||
| 309 | T | 34.9 | Very low | 36 | Very low | 134 Ų | 134 | 138 Ų | 138 | 82% | 0.822 | 78% | 0.783 | S | S | * | * | -160.8 | 122.7 | 120.8 | -3.2 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 310 | S | 35 | Very low | 36.1 | Very low | 116 Ų | 116 | 134.7 Ų | 134.7 | 81% | 0.811 | 79% | 0.785 | S | S | * | * | trans | 38.3 | 127.5 | 146.3 | 60.2 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 311 | G | 32 | Very low | 35.9 | Very low | 77 Ų | 77 | 134.2 Ų | 134.2 | 79% | 0.794 | 79% | 0.788 | S | S | * | * | 132.3 | 69.5 | 129.1 | 0 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 312 | M | 35.3 | Very low | 35.8 | Very low | 192 Ų | 192 | 140.6 Ų | 140.6 | 95% | 0.946 | 80% | 0.799 | S | S | * | * | trans | 50.1 | 97.5 | 146.4 | -148.5 | 85.7 | 77.9 | 0 | 0 | 119.2 | ||||
| 313 | S | 31.9 | Very low | 35.3 | Very low | 123 Ų | 123 | 143.2 Ų | 143.2 | 86% | 0.86 | 81% | 0.807 | S | S | * | * | trans | -86.5 | 142.6 | 160.6 | -71.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 314 | S | 36.3 | Very low | 34.8 | Very low | 110 Ų | 110 | 138.3 Ų | 138.3 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | trans | -158.6 | 105.8 | 140.2 | -174.1 | 0 | 0 | 0 | 0 | 107 | ||||
| 315 | S | 35.7 | Very low | 34.4 | Very low | 117 Ų | 117 | 134 Ų | 134 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | 59.9 | 126.1 | 74.6 | -165.6 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 316 | G | 32.9 | Very low | 34.3 | Very low | 64 Ų | 64 | 137.1 Ų | 137.1 | 66% | 0.66 | 81% | 0.81 | S | S | * | * | cis | -174.4 | 149.5 | -2 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 317 | A | 35.8 | Very low | 34.8 | Very low | 87 Ų | 87 | 136.9 Ų | 136.9 | 72% | 0.719 | 81% | 0.807 | S | S | * | * | 20 | 116.5 | 127.6 | 0 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 318 | N | 32.8 | Very low | 34.5 | Very low | 122 Ų | 122 | 133.8 Ų | 133.8 | 65% | 0.652 | 81% | 0.807 | S | S | * | * | 179 | 156.7 | 96.9 | -85.3 | -27.7 | 0 | 0 | 0 | 114.6 | |||||
| 319 | Y | 36.8 | Very low | 34.4 | Very low | 203 Ų | 203 | 130.2 Ų | 130.2 | 80% | 0.796 | 80% | 0.801 | S | S | * | * | trans | -71.9 | 147.7 | -177.9 | 24.3 | -94.2 | 0 | 0 | 0 | 113.9 | ||||
| 320 | A | 36.5 | Very low | 34.1 | Very low | 109 Ų | 109 | 129.7 Ų | 129.7 | 90% | 0.901 | 80% | 0.803 | S | S | * | * | trans | -139.3 | 154.1 | 166.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 321 | L | 33.4 | Very low | 33.9 | Very low | 167 Ų | 167 | 130 Ų | 130 | 87% | 0.874 | 80% | 0.8 | S | S | * | * | trans | -96.5 | 164 | -162.1 | -158.7 | 73.6 | 0 | 0 | 0 | 113.6 | ||||
| 322 | R | 34.2 | Very low | 33.9 | Very low | 216 Ų | 216 | 131.6 Ų | 131.6 | 82% | 0.815 | 80% | 0.799 | S | S | * | * | trans | -29.1 | 149.5 | 172.3 | -64.9 | 175.3 | 155.6 | -161 | -4.5 | 117.9 | ||||
| 323 | Q | 30.9 | Very low | 33.7 | Very low | 190 Ų | 190 | 127.5 Ų | 127.5 | 89% | 0.888 | 79% | 0.79 | S | S | * | * | 132.7 | 124.9 | 113.8 | -158.6 | 164.6 | 40 | 0 | 0 | 113.7 | |||||
| 324 | G | 30 | Very low | 33.7 | Very low | 76 Ų | 76 | 126.5 Ų | 126.5 | 78% | 0.784 | 78% | 0.782 | S | S | * | * | trans | 156.7 | 93.4 | 169.3 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 325 | A | 31.8 | Very low | 33.5 | Very low | 93 Ų | 93 | 126.7 Ų | 126.7 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | trans | 20.2 | 134.3 | 148.2 | 0 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 326 | N | 32.9 | Very low | 33.4 | Very low | 161 Ų | 161 | 125.9 Ų | 125.9 | 86% | 0.861 | 78% | 0.778 | S | S | * | * | trans | 85.5 | 138.6 | 140.6 | -71.2 | -4.7 | 0 | 0 | 0 | 122.6 | ||||
| 327 | P | 49.5 | Very low | 33.4 | Very low | 109 Ų | 109 | 128.1 Ų | 128.1 | 71% | 0.708 | 78% | 0.784 | S | S | * | * | trans | -109.2 | 154.4 | -177.1 | 41.3 | -33.4 | 0 | 0 | 0 | 115.2 | ||||
| 328 | L | 31.5 | Very low | 33.5 | Very low | 171 Ų | 171 | 131.9 Ų | 131.9 | 90% | 0.895 | 79% | 0.791 | S | S | * | * | trans | -144.4 | 118.9 | 155.3 | -70.9 | 171.4 | 0 | 0 | 0 | 105.7 | ||||
| 329 | S | 31.4 | Very low | 33.5 | Very low | 97 Ų | 97 | 131.9 Ų | 131.9 | 68% | 0.678 | 80% | 0.8 | S | S | * | * | 78.3 | 99 | 55.5 | -62.9 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 330 | S | 29.6 | Very low | 33.5 | Very low | 123 Ų | 123 | 127.5 Ų | 127.5 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | trans | -145.5 | 94.9 | 157 | -71.7 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 331 | T | 31.2 | Very low | 33.8 | Very low | 122 Ų | 122 | 128.7 Ų | 128.7 | 75% | 0.748 | 80% | 0.798 | S | S | * | * | 84.5 | 93.9 | 63.7 | -53.3 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 332 | S | 31.2 | Very low | 33.6 | Very low | 112 Ų | 112 | 126.4 Ų | 126.4 | 78% | 0.783 | 80% | 0.796 | S | S | * | * | trans | -167.7 | 108.2 | 139.8 | 28.3 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 333 | S | 31.9 | Very low | 33.6 | Very low | 106 Ų | 106 | 123.8 Ų | 123.8 | 74% | 0.741 | 79% | 0.79 | S | S | * | * | 70.9 | 120.4 | 79.8 | -62.3 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 334 | S | 32 | Very low | 34 | Very low | 101 Ų | 101 | 120.6 Ų | 120.6 | 71% | 0.706 | 79% | 0.786 | S | S | * | * | cis | -162.2 | 163.4 | 10.6 | -69.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 335 | S | 31.9 | Very low | 34.2 | Very low | 114 Ų | 114 | 124.1 Ų | 124.1 | 80% | 0.797 | 78% | 0.782 | S | S | * | * | trans | 60.4 | 142 | 149 | 46.2 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 336 | S | 32.6 | Very low | 34.8 | Very low | 101 Ų | 101 | 125 Ų | 125 | 71% | 0.706 | 78% | 0.78 | S | S | * | * | cis | -167.3 | 145.4 | 0.2 | 39.9 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 337 | S | 33.6 | Very low | 35.5 | Very low | 111 Ų | 111 | 123 Ų | 123 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | trans | 50.7 | 110.9 | 148.4 | 57.3 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 338 | L | 36.8 | Very low | 35.3 | Very low | 166 Ų | 166 | 123.3 Ų | 123.3 | 87% | 0.869 | 78% | 0.778 | S | S | * | * | trans | -18 | 136.9 | 145.1 | -69.4 | 145.9 | 0 | 0 | 0 | 118.7 | ||||
| 339 | S | 33 | Very low | 35.3 | Very low | 121 Ų | 121 | 123 Ų | 123 | 85% | 0.846 | 78% | 0.777 | S | S | * | * | -172.7 | 156.8 | 115.7 | 27.5 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 340 | S | 37 | Very low | 35.3 | Very low | 112 Ų | 112 | 127 Ų | 127 | 78% | 0.783 | 79% | 0.785 | S | S | * | * | trans | -100.4 | -179.1 | -172.6 | -50.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 341 | P | 42.8 | Very low | 35.3 | Very low | 133 Ų | 133 | 127.6 Ų | 127.6 | 86% | 0.864 | 78% | 0.784 | S | S | * | * | trans | -87.5 | 157.1 | -139.5 | 36.5 | -39.7 | 0 | 0 | 0 | 115.5 | ||||
| 342 | S | 29.3 | Very low | 36.1 | Very low | 119 Ų | 119 | 127.4 Ų | 127.4 | 83% | 0.832 | 79% | 0.785 | S | S | * | * | trans | -126.2 | 140.1 | 166.4 | 53.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 343 | K | 35.1 | Very low | 35.8 | Very low | 162 Ų | 162 | 128.9 Ų | 128.9 | 70% | 0.704 | 78% | 0.784 | S | S | * | * | trans | -77.6 | 143.3 | -179.2 | 174.5 | -164.4 | -179.1 | -164.1 | 0 | 111.3 | E345 | K343-E345 WeakPolarHBondContact CE-OE2 3.39Å; K343-E345 IonicContact NZ-OE2 3.08Å; K343-E345 PolarHBondContact NZ-OE2 3.12Å | ||
| 344 | P | 39.6 | Very low | 35.7 | Very low | 123 Ų | 123 | 128.2 Ų | 128.2 | 80% | 0.799 | 78% | 0.779 | S | S | * | * | trans | -90.4 | 139.5 | 159.3 | -5.7 | 25 | 0 | 0 | 0 | 112.3 | ||||
| 345 | E | 33.3 | Very low | 35.7 | Very low | 150 Ų | 150 | 132 Ų | 132 | 70% | 0.701 | 79% | 0.786 | S | S | * | * | trans | -125.9 | 150.8 | 168 | -166 | 155.8 | 133.3 | 0 | 0 | 107 | K343 | K343-E345 WeakPolarHBondContact CE-OE2 3.39Å; K343-E345 IonicContact NZ-OE2 3.08Å; K343-E345 PolarHBondContact NZ-OE2 3.12Å | ||
| 346 | P | 44.7 | Very low | 35.6 | Very low | 110 Ų | 110 | 134.8 Ų | 134.8 | 71% | 0.714 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 164.8 | -151.1 | 34.1 | -36.7 | 0 | 0 | 0 | 115.1 | ||
| 347 | P | 48.3 | Very low | 35.5 | Very low | 121 Ų | 121 | 139.3 Ų | 139.3 | 79% | 0.786 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 155.3 | 175.3 | 31.5 | -35.4 | 0 | 0 | 0 | 113 | ||
| 348 | P | 44.2 | Very low | 35.4 | Very low | 115 Ų | 115 | 139.1 Ų | 139.1 | 75% | 0.747 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -91.4 | 156 | -167.8 | 35.6 | -36.9 | 0 | 0 | 0 | 115.3 | ||
| 349 | N | 32 | Very low | 34.9 | Very low | 163 Ų | 163 | 139.1 Ų | 139.1 | 87% | 0.872 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 134.4 | 163.7 | -91.7 | -17.6 | 0 | 0 | 0 | 111.8 | ||
| 350 | Q | 30.5 | Very low | 34.6 | Very low | 182 Ų | 182 | 138.6 Ų | 138.6 | 85% | 0.85 | 78% | 0.781 | S | S | * | * | trans | -143 | 115.5 | 152.1 | -70.1 | -165.8 | 11.1 | 0 | 0 | 112.6 | ||||
| 351 | T | 30.3 | Very low | 34.2 | Very low | 136 Ų | 136 | 139.5 Ų | 139.5 | 83% | 0.834 | 78% | 0.782 | S | S | * | * | trans | -136.4 | 168.5 | 150.1 | 29.1 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 352 | P | 47.2 | Very low | 33.6 | Very low | 118 Ų | 118 | 140.5 Ų | 140.5 | 77% | 0.766 | 78% | 0.778 | S | S | * | * | cis | -132.4 | -175.7 | 11.4 | 43.3 | -26.7 | 0 | 0 | 0 | 114.2 | ||||
| 353 | D | 25.3 | Very low | 33.6 | Very low | 142 Ų | 142 | 142.6 Ų | 142.6 | 76% | 0.759 | 77% | 0.774 | S | S | * | * | 175.1 | 145.2 | 105.7 | -164.3 | 17.5 | 0 | 0 | 0 | 113.5 | |||||
| 354 | S | 31 | Very low | 33.3 | Very low | 92 Ų | 92 | 143.6 Ų | 143.6 | 64% | 0.643 | 78% | 0.781 | S | S | * | * | trans | 39.7 | 147.2 | 153.6 | -69.8 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 355 | Q | 31.6 | Very low | 32.9 | Very low | 182 Ų | 182 | 148 Ų | 148 | 85% | 0.85 | 78% | 0.782 | S | S | * | * | cis | -139.2 | 138.3 | 22.8 | -61.8 | 167.7 | -13 | 0 | 0 | 108.6 | ||||
| 356 | H | 30.6 | Very low | 33.2 | Very low | 172 Ų | 172 | 146.7 Ų | 146.7 | 80% | 0.796 | 79% | 0.787 | S | S | * | * | 62.1 | 94.9 | 71.9 | -135.8 | 94.5 | 0 | 0 | 0 | 115.8 | |||||
| 357 | E | 30.3 | Very low | 32.4 | Very low | 195 Ų | 195 | 144.6 Ų | 144.6 | 91% | 0.911 | 79% | 0.785 | S | S | * | * | trans | -149.5 | 144.6 | 140.8 | -137.2 | 174.9 | -162 | 0 | 0 | 110.8 | ||||
| 358 | V | 29.6 | Very low | 31.5 | Very low | 107 Ų | 107 | 143.3 Ų | 143.3 | 65% | 0.648 | 78% | 0.784 | S | S | * | * | trans | -127.6 | 131.2 | -170.3 | 168.5 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 359 | L | 27.1 | Very low | 30.7 | Very low | 167 Ų | 167 | 146.7 Ų | 146.7 | 87% | 0.874 | 79% | 0.79 | S | S | * | * | trans | -150.4 | 103.4 | 157.4 | -137 | 109.7 | 0 | 0 | 0 | 115 | ||||
| 360 | V | 27 | Very low | 30.6 | Very low | 110 Ų | 110 | 148.1 Ų | 148.1 | 67% | 0.667 | 79% | 0.792 | S | S | * | * | trans | 61.9 | 116.6 | 135 | 178.4 | 0 | 0 | 0 | 0 | 120.6 | I362 | V360-I362 HydrophobicContact CG1-CG1 4.21Š| ||
| 361 | V | 29.1 | Very low | 30.3 | Very low | 131 Ų | 131 | 148 Ų | 148 | 79% | 0.794 | 79% | 0.788 | S | S | * | * | trans | -68 | 132.6 | 156.8 | 171.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 362 | I | 29.9 | Very low | 30.1 | Very low | 154 Ų | 154 | 148 Ų | 148 | 79% | 0.79 | 78% | 0.782 | S | S | * | * | trans | -139.4 | 110.8 | 143.9 | -59.1 | -174.9 | 0 | 0 | 0 | 109.4 | V360 | V360-I362 HydrophobicContact CG1-CG1 4.21Š| ||
| 363 | E | 29.8 | Very low | 29.1 | Very low | 162 Ų | 162 | 148.2 Ų | 148.2 | 76% | 0.757 | 78% | 0.777 | S | S | * | * | trans | -85.2 | 143.2 | 157 | 173.5 | -179 | -176.7 | 0 | 0 | 108.7 | ||||
| 364 | H | 27 | Very low | 29.3 | Very low | 183 Ų | 183 | 145.8 Ų | 145.8 | 85% | 0.847 | 77% | 0.772 | S | S | * | * | trans | -163.9 | 141.8 | 145.5 | -112.3 | 67 | 0 | 0 | 0 | 113.1 | ||||
| 365 | R | 32.5 | Very low | 29.5 | Very low | 215 Ų | 215 | 147.8 Ų | 147.8 | 81% | 0.811 | 77% | 0.774 | S | S | * | * | trans | -115 | 144.2 | 171.5 | -177.8 | -177.6 | -178.3 | 164.6 | 1.5 | 108.9 | ||||
| 366 | P | 40.1 | Very low | 29.6 | Very low | 124 Ų | 124 | 146.3 Ų | 146.3 | 81% | 0.805 | 77% | 0.767 | S | S | * | * | -133.8 | 173.9 | 122.4 | 15.7 | 6 | 0 | 0 | 0 | 110.3 | |||||
| 367 | G | 26.2 | Very low | 29.8 | Very low | 65 Ų | 65 | 143.7 Ų | 143.7 | 67% | 0.67 | 76% | 0.756 | S | S | * | * | cis | 131.6 | 118.6 | 2.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 368 | A | 30.6 | Very low | 30 | Very low | 94 Ų | 94 | 143 Ų | 143 | 78% | 0.777 | 75% | 0.745 | S | S | * | * | trans | 79.3 | 107.9 | 167.7 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 369 | E | 28.1 | Very low | 30.3 | Very low | 186 Ų | 186 | 146.1 Ų | 146.1 | 87% | 0.869 | 75% | 0.745 | S | S | * | * | 39 | 124.6 | 120.9 | -57.3 | -176.1 | 111.6 | 0 | 0 | 124.2 | |||||
| 370 | Q | 28.9 | Very low | 30.5 | Very low | 193 Ų | 193 | 143.3 Ų | 143.3 | 90% | 0.902 | 73% | 0.734 | S | S | * | * | 173 | 123.3 | 128 | -93.7 | 166.9 | 23.1 | 0 | 0 | 106.8 | |||||
| 371 | K | 24.6 | Very low | 31.1 | Very low | 179 Ų | 179 | 144.4 Ų | 144.4 | 78% | 0.778 | 73% | 0.732 | S | S | * | * | cis | 82.7 | 110.8 | 45.4 | -166.9 | -179.4 | -176.9 | -175.9 | 0 | 114.4 | ||||
| 372 | L | 25.9 | Very low | 31.5 | Very low | 136 Ų | 136 | 146.2 Ų | 146.2 | 71% | 0.712 | 73% | 0.732 | S | S | * | * | trans | 67.7 | 149.3 | 163.9 | -99.9 | 66 | 0 | 0 | 0 | 116.8 | ||||
| 373 | D | 25.9 | Very low | 31.7 | Very low | 124 Ų | 124 | 147.6 Ų | 147.6 | 66% | 0.663 | 74% | 0.735 | S | S | * | * | cis | -157.2 | 151.4 | -2 | -148.5 | -12.2 | 0 | 0 | 0 | 112.5 | ||||
| 374 | S | 30.6 | Very low | 31.9 | Very low | 91 Ų | 91 | 148.5 Ų | 148.5 | 64% | 0.636 | 74% | 0.74 | S | S | * | * | trans | 58 | 161.9 | 145.5 | 76.6 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 375 | L | 34.4 | Very low | 32.3 | Very low | 134 Ų | 134 | 144.6 Ų | 144.6 | 70% | 0.702 | 74% | 0.739 | S | S | * | * | cis | -158.1 | 146.5 | 5.8 | -161.2 | 58.7 | 0 | 0 | 0 | 111.3 | ||||
| 376 | E | 34.2 | Very low | 32.3 | Very low | 151 Ų | 151 | 138.6 Ų | 138.6 | 71% | 0.706 | 74% | 0.735 | S | S | * | * | trans | 57.9 | 155.8 | 151.8 | -79.7 | 170.8 | 154.5 | 0 | 0 | 120.4 | ||||
| 377 | E | 34 | Very low | 31.9 | Very low | 117 Ų | 117 | 139.4 Ų | 139.4 | 55% | 0.547 | 74% | 0.738 | S | S | . | * | cis | -150.8 | 161.6 | 4.8 | -130.6 | -167.5 | 150.9 | 0 | 0 | 106.9 | ||||
| 378 | R | 33.8 | Very low | 32.3 | Very low | 180 Ų | 180 | 143 Ų | 143 | 68% | 0.679 | 74% | 0.741 | S | S | * | * | cis | -163.9 | 145.5 | 14 | -163.3 | 174.9 | -172.2 | 120.9 | 6.5 | 109.7 | ||||
| 379 | R | 36.4 | Very low | 32.3 | Very low | 173 Ų | 173 | 144.1 Ų | 144.1 | 65% | 0.653 | 74% | 0.739 | S | S | * | * | trans | 15.2 | 156.4 | 147.1 | -57.1 | -179.1 | 160 | 93 | -2.9 | 121.2 | E381 | R379-E381 IonicContact NE-OE1 3.47Å; R379-E381 PolarHBondContact NE-OE1 3.34Å | ||
| 380 | T | 31.7 | Very low | 32.7 | Very low | 107 Ų | 107 | 138.6 Ų | 138.6 | 66% | 0.656 | 73% | 0.731 | S | S | * | * | cis | -145.4 | 134.9 | 32.3 | 23.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 381 | E | 39.1 | Very low | 33.1 | Very low | 133 Ų | 133 | 138 Ų | 138 | 62% | 0.621 | 73% | 0.728 | S | S | * | * | 63.5 | 137.5 | 92.2 | -62 | 159.9 | -159.6 | 0 | 0 | 112.8 | R379 | R379-E381 IonicContact NE-OE1 3.47Å; R379-E381 PolarHBondContact NE-OE1 3.34Å | |||
| 382 | E | 37.7 | Very low | 33.8 | Very low | 170 Ų | 170 | 138.5 Ų | 138.5 | 79% | 0.794 | 73% | 0.734 | S | S | * | * | cis | -158.9 | 175.9 | -10.3 | -111.7 | 168.4 | 153.2 | 0 | 0 | 104.8 | ||||
| 383 | E | 34.3 | Very low | 34.4 | Very low | 183 Ų | 183 | 138.8 Ų | 138.8 | 86% | 0.855 | 74% | 0.741 | S | S | * | * | cis | -159.9 | 169.2 | 38.5 | -161.5 | 177.8 | 141.7 | 0 | 0 | 110.4 | ||||
| 384 | E | 34.6 | Very low | 35 | Very low | 181 Ų | 181 | 139.7 Ų | 139.7 | 85% | 0.846 | 75% | 0.745 | S | S | * | * | trans | -73.6 | 172.1 | -177 | -41.1 | -176.8 | 114.7 | 0 | 0 | 112.4 | ||||
| 385 | A | 34 | Very low | 35.7 | Very low | 101 Ų | 101 | 143.4 Ų | 143.4 | 84% | 0.835 | 76% | 0.757 | S | S | * | * | -156.1 | 151.1 | 64 | 0 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 386 | A | 33.9 | Very low | 36 | Very low | 89 Ų | 89 | 143.9 Ų | 143.9 | 74% | 0.736 | 76% | 0.76 | S | S | * | * | trans | -89.4 | 161.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 387 | V | 30.8 | Very low | 36.2 | Very low | 141 Ų | 141 | 142.6 Ų | 142.6 | 86% | 0.855 | 76% | 0.762 | S | S | * | * | 175.9 | 135.4 | 104.7 | 155.9 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 388 | N | 34.2 | Very low | 36.4 | Very low | 139 Ų | 139 | 144.8 Ų | 144.8 | 74% | 0.743 | 78% | 0.777 | S | S | * | * | trans | -52.2 | 152.4 | 173.3 | -169.3 | 21.4 | 0 | 0 | 0 | 115.5 | ||||
| 389 | V | 31.2 | Very low | 36.6 | Very low | 119 Ų | 119 | 142.2 Ų | 142.2 | 72% | 0.721 | 78% | 0.782 | S | S | * | * | 162.8 | 127.7 | 128.4 | 157.8 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 390 | G | 37 | Very low | 36.6 | Very low | 69 Ų | 69 | 143.3 Ų | 143.3 | 71% | 0.711 | 79% | 0.791 | S | S | * | * | trans | -90.4 | 158 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 391 | Q | 36.8 | Very low | 36.6 | Very low | 181 Ų | 181 | 141.9 Ų | 141.9 | 85% | 0.846 | 80% | 0.798 | S | S | * | * | trans | -148.6 | 142.6 | 171.5 | -154.4 | 149.8 | -6.2 | 0 | 0 | 112.3 | ||||
| 392 | E | 38.9 | Very low | 36.2 | Very low | 190 Ų | 190 | 141.6 Ų | 141.6 | 89% | 0.888 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 140.1 | 177.4 | -63.2 | 161.8 | 117.6 | 0 | 0 | 111.1 | ||
| 393 | V | 39.8 | Very low | 35.9 | Very low | 142 Ų | 142 | 141.1 Ų | 141.1 | 86% | 0.861 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -102.6 | 120.5 | 169.4 | -90.9 | 0 | 0 | 0 | 0 | 110.7 | ||
| 394 | N | 37.8 | Very low | 35.9 | Very low | 142 Ų | 142 | 141.1 Ų | 141.1 | 76% | 0.759 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 121.2 | -174.9 | -175.2 | 5.7 | 0 | 0 | 0 | 111.6 | L396 | N394-L396 PolarHBondContact O-N 3.2Å; N394-L396 VanDerWaalsContact O-N 3.12Å |
| 395 | L | 44.8 | Very low | 35.9 | Very low | 170 Ų | 170 | 142.3 Ų | 142.3 | 89% | 0.89 | 81% | 0.814 | S | S | * | * | trans | -82.3 | 76.5 | 175.9 | -88.4 | 165.2 | 0 | 0 | 0 | 111.2 | ||||
| 396 | L | 41.8 | Very low | 35.8 | Very low | 143 Ų | 143 | 146 Ų | 146 | 75% | 0.749 | 81% | 0.814 | S | S | * | * | trans | -162 | 91.2 | 170.2 | -105.7 | 156.1 | 0 | 0 | 0 | 111.1 | N394 | N394-L396 PolarHBondContact O-N 3.2Å; N394-L396 VanDerWaalsContact O-N 3.12Å | ||
| 397 | T | 38.2 | Very low | 36.1 | Very low | 125 Ų | 125 | 150.9 Ų | 150.9 | 77% | 0.767 | 82% | 0.821 | S | S | * | * | trans | 171.4 | 92.5 | 143.5 | -67.2 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 398 | L | 37.5 | Very low | 36.2 | Very low | 162 Ų | 162 | 153.4 Ų | 153.4 | 85% | 0.848 | 82% | 0.824 | S | S | * | * | trans | -110.1 | 99.2 | 167.7 | -78.6 | 174 | 0 | 0 | 0 | 108.6 | ||||
| 399 | T | 38.5 | Very low | 36.4 | Very low | 127 Ų | 127 | 155.9 Ų | 155.9 | 78% | 0.779 | 83% | 0.831 | S | S | * | * | trans | -89.2 | 117.7 | 173.4 | -27.2 | 0 | 0 | 0 | 0 | 108.4 | G401 | T399-G401 PolarHBondContact O-N 2.78Š| ||
| 400 | F | 35.3 | Very low | 36.5 | Very low | 195 Ų | 195 | 160 Ų | 160 | 86% | 0.855 | 84% | 0.842 | S | S | * | * | trans | -75.9 | 113.4 | 176.2 | -74.4 | -90.7 | 0 | 0 | 0 | 110.1 | ||||
| 401 | G | 31.8 | Very low | 36.5 | Very low | 77 Ų | 77 | 161 Ų | 161 | 79% | 0.794 | 84% | 0.844 | S | S | * | * | trans | -85 | 120.8 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | T399 | T399-G401 PolarHBondContact O-N 2.78Š| ||
| 402 | C | 30.5 | Very low | 36.2 | Very low | 128 Ų | 128 | 159.5 Ų | 159.5 | 87% | 0.865 | 85% | 0.847 | S | S | * | * | trans | -75.4 | 140.7 | 167.3 | -167.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 403 | L | 32 | Very low | 36.1 | Very low | 160 Ų | 160 | 159.2 Ų | 159.2 | 84% | 0.838 | 85% | 0.846 | S | S | * | * | trans | -106.8 | 91 | -172.3 | -154.5 | 158.1 | 0 | 0 | 0 | 109.2 | ||||
| 404 | E | 35 | Very low | 35.9 | Very low | 183 Ų | 183 | 161.2 Ų | 161.2 | 86% | 0.855 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 148.5 | 168.7 | -75.3 | -173.3 | 148.4 | 0 | 0 | 110.7 | ||
| 405 | K | 34.8 | Very low | 35.7 | Very low | 205 Ų | 205 | 162.8 Ų | 162.8 | 89% | 0.891 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -93.4 | 144.7 | -164.1 | -155.7 | 174.8 | -177.8 | -176.5 | 0 | 111.6 | ||
| 406 | Q | 32.1 | Very low | 35.1 | Very low | 180 Ų | 180 | 163.4 Ų | 163.4 | 84% | 0.841 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 135.4 | -167.2 | -170.6 | 175.8 | 5.7 | 0 | 0 | 113.2 | ||
| 407 | E | 39.3 | Very low | 34.4 | Very low | 191 Ų | 191 | 160 Ų | 160 | 89% | 0.893 | 85% | 0.846 | S | S | * | * | trans | -119.9 | 124.1 | 153.8 | -79 | -172.6 | 156.1 | 0 | 0 | 107.6 | ||||
| 408 | E | 33.5 | Very low | 33.9 | Very low | 193 Ų | 193 | 160.2 Ų | 160.2 | 90% | 0.902 | 85% | 0.851 | S | S | * | * | trans | -163.5 | 139.3 | 148.3 | -119.8 | 170.5 | -175.4 | 0 | 0 | 109.2 | ||||
| 409 | E | 38.3 | Very low | 34.6 | Very low | 192 Ų | 192 | 157.3 Ų | 157.3 | 90% | 0.897 | 84% | 0.842 | S | S | * | * | trans | -85.8 | 149.9 | 177.7 | -60.4 | 176 | 121.8 | 0 | 0 | 110.6 | ||||
| 410 | E | 32.8 | Very low | 34.2 | Very low | 205 Ų | 205 | 158.8 Ų | 158.8 | 96% | 0.958 | 85% | 0.845 | S | S | * | * | trans | -150.9 | 149.5 | 141.3 | -138.1 | 175.9 | -158.9 | 0 | 0 | 110.6 | ||||
| 411 | A | 36.6 | Very low | 34.1 | Very low | 90 Ų | 90 | 155.4 Ų | 155.4 | 74% | 0.744 | 84% | 0.841 | S | S | * | * | trans | -122.7 | 147.6 | -172.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 412 | T | 31.6 | Very low | 35 | Very low | 149 Ų | 149 | 156.9 Ų | 156.9 | 91% | 0.914 | 84% | 0.836 | S | S | * | * | trans | -141.7 | 149.1 | 161.4 | 45.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 413 | E | 37.2 | Very low | 35.2 | Very low | 184 Ų | 184 | 157.9 Ų | 157.9 | 86% | 0.86 | 83% | 0.833 | S | S | * | * | trans | -86.2 | 164.2 | -167.6 | -52.5 | 167.9 | 142.3 | 0 | 0 | 112.8 | ||||
| 414 | E | 33.9 | Very low | 35.2 | Very low | 185 Ų | 185 | 157.9 Ų | 157.9 | 86% | 0.864 | 83% | 0.828 | S | S | * | * | trans | -173.8 | 132.5 | 130.3 | -103.7 | 169.7 | -155.2 | 0 | 0 | 111.9 | ||||
| 415 | E | 34.7 | Very low | 35 | Very low | 175 Ų | 175 | 156 Ų | 156 | 82% | 0.818 | 82% | 0.823 | S | S | * | * | trans | 25.3 | 152.8 | 148.7 | -69.7 | -171.7 | 166.1 | 0 | 0 | 123 | ||||
| 416 | E | 32 | Very low | 34.8 | Very low | 183 Ų | 183 | 151 Ų | 151 | 86% | 0.855 | 82% | 0.815 | S | S | * | * | cis | -169.6 | 154.9 | -11.7 | 173.5 | -179.8 | -142.5 | 0 | 0 | 106.9 | ||||
| 417 | G | 26.7 | Very low | 34.7 | Very low | 71 Ų | 71 | 147.4 Ų | 147.4 | 73% | 0.732 | 82% | 0.816 | S | S | * | * | trans | 118.3 | 96.8 | 154.9 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 418 | C | 27.5 | Very low | 34.6 | Very low | 129 Ų | 129 | 146.8 Ų | 146.8 | 87% | 0.872 | 82% | 0.817 | S | S | * | * | trans | -107.9 | 175.7 | 152.1 | -74.8 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 419 | P | 52.6 | Low | 34.4 | Very low | 102 Ų | 102 | 142.6 Ų | 142.6 | 66% | 0.662 | 82% | 0.816 | S | S | * | * | cis | -137.6 | 176.2 | 9 | 42.9 | -25.5 | 0 | 0 | 0 | 115.6 | ||||
| 420 | D | 29.3 | Very low | 34.3 | Very low | 158 Ų | 158 | 137.8 Ų | 137.8 | 85% | 0.845 | 81% | 0.809 | S | S | * | * | -171.9 | 155.8 | 110.5 | -102.2 | -26.9 | 0 | 0 | 0 | 112.9 | |||||
| 421 | V | 33.8 | Very low | 35.1 | Very low | 124 Ų | 124 | 133.1 Ų | 133.1 | 75% | 0.752 | 80% | 0.796 | S | S | * | * | trans | -118.2 | -172.9 | -167.9 | -161.1 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 422 | P | 50.8 | Low | 34.8 | Very low | 107 Ų | 107 | 136.3 Ų | 136.3 | 70% | 0.695 | 80% | 0.8 | S | S | * | * | cis | -116.9 | -162.5 | -17.5 | 2.2 | 26.6 | 0 | 0 | 0 | 112.4 | ||||
| 423 | D | 33.8 | Very low | 34.8 | Very low | 149 Ų | 149 | 134.4 Ų | 134.4 | 80% | 0.797 | 79% | 0.788 | S | S | * | * | cis | -160.2 | -173.8 | 5.2 | -132 | -44.2 | 0 | 0 | 0 | 112.4 | ||||
| 424 | E | 32.6 | Very low | 34.7 | Very low | 160 Ų | 160 | 134 Ų | 134 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | trans | 87.1 | 88.3 | 156.9 | -68 | -150.3 | 94 | 0 | 0 | 121.3 | ||||
| 425 | L | 30.3 | Very low | 35.5 | Very low | 143 Ų | 143 | 130.7 Ų | 130.7 | 75% | 0.749 | 78% | 0.781 | S | S | * | * | 80.3 | 138.3 | 109.9 | -89.1 | 168.6 | 0 | 0 | 0 | 124.4 | |||||
| 426 | S | 30.9 | Very low | 35.4 | Very low | 102 Ų | 102 | 126.1 Ų | 126.1 | 71% | 0.713 | 77% | 0.773 | S | S | * | * | trans | 73.1 | 91 | 158.2 | -55.4 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 427 | A | 30.7 | Very low | 35.4 | Very low | 104 Ų | 104 | 124.5 Ų | 124.5 | 86% | 0.86 | 77% | 0.77 | S | S | * | * | 79 | 124.4 | 59.4 | 0 | 0 | 0 | 0 | 0 | 115 | |||||
| 428 | L | 36.1 | Very low | 35.6 | Very low | 177 Ų | 177 | 128.6 Ų | 128.6 | 93% | 0.927 | 78% | 0.775 | S | S | * | * | trans | -72.4 | 158.7 | -178.8 | -66.8 | 152.6 | 0 | 0 | 0 | 113.1 | ||||
| 429 | A | 29.5 | Very low | 36 | Very low | 105 Ų | 105 | 126.5 Ų | 126.5 | 87% | 0.868 | 77% | 0.767 | S | S | * | * | trans | -139.7 | 109.1 | 152.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 430 | A | 37.2 | Very low | 35.1 | Very low | 91 Ų | 91 | 126 Ų | 126 | 75% | 0.752 | 77% | 0.772 | S | S | * | * | trans | -84.4 | -161.3 | 157.9 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 431 | P | 50 | Low | 35.4 | Very low | 108 Ų | 108 | 124.6 Ų | 124.6 | 70% | 0.701 | 77% | 0.769 | S | S | * | * | cis | -149 | -170 | 3.2 | 39.2 | -15.7 | 0 | 0 | 0 | 117.5 | ||||
| 432 | L | 30.2 | Very low | 35.4 | Very low | 157 Ų | 157 | 123.5 Ų | 123.5 | 82% | 0.822 | 77% | 0.767 | S | S | * | * | trans | 89.3 | 136.1 | 136.1 | -95.1 | 175.5 | 0 | 0 | 0 | 123.7 | ||||
| 433 | V | 30.2 | Very low | 34.4 | Very low | 108 Ų | 108 | 124.1 Ų | 124.1 | 66% | 0.655 | 77% | 0.772 | S | S | * | * | trans | 105.5 | 96.9 | 146.8 | 174.9 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 434 | Q | 35.8 | Very low | 34.5 | Very low | 177 Ų | 177 | 122.3 Ų | 122.3 | 83% | 0.827 | 77% | 0.77 | S | S | * | * | 61.7 | -174.1 | 129.8 | -45.7 | -173.4 | -46.7 | 0 | 0 | 121.1 | |||||
| 435 | P | 50 | Low | 34.7 | Very low | 115 Ų | 115 | 121.2 Ų | 121.2 | 75% | 0.747 | 78% | 0.775 | S | S | * | * | -139.1 | -162.1 | -108.9 | 43.4 | -20.3 | 0 | 0 | 0 | 116.2 | |||||
| 436 | A | 33.1 | Very low | 35.1 | Very low | 79 Ų | 79 | 121.7 Ų | 121.7 | 65% | 0.653 | 78% | 0.778 | S | S | * | * | trans | 91.7 | 129.7 | 158 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 437 | D | 32 | Very low | 35.7 | Very low | 148 Ų | 148 | 126 Ų | 126 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | trans | 40.2 | 129.9 | 138.8 | -45.1 | -28.9 | 0 | 0 | 0 | 119.4 | ||||
| 438 | D | 31.8 | Very low | 36.3 | Very low | 157 Ų | 157 | 128 Ų | 128 | 84% | 0.84 | 78% | 0.783 | S | S | * | * | -169.5 | 149.5 | 68.9 | -124.4 | -31.4 | 0 | 0 | 0 | 115.7 | |||||
| 439 | A | 34.7 | Very low | 36.4 | Very low | 86 Ų | 86 | 129.3 Ų | 129.3 | 71% | 0.711 | 78% | 0.777 | S | S | * | * | trans | 41.1 | 138.9 | 144 | 0 | 0 | 0 | 0 | 0 | 126.8 | ||||
| 440 | A | 34.7 | Very low | 36.8 | Very low | 91 Ų | 91 | 130.9 Ų | 130.9 | 75% | 0.752 | 77% | 0.771 | S | S | * | * | trans | 78 | 140.4 | 144.6 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 441 | T | 34.3 | Very low | 36.8 | Very low | 128 Ų | 128 | 132.1 Ų | 132.1 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | cis | -156.5 | 147.1 | -1 | -4.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 442 | S | 34.3 | Very low | 36.1 | Very low | 101 Ų | 101 | 139 Ų | 139 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | 50.5 | 132.3 | 104.4 | -166.3 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 443 | C | 30.7 | Very low | 36.7 | Very low | 120 Ų | 120 | 138.6 Ų | 138.6 | 81% | 0.811 | 78% | 0.776 | S | S | * | * | cis | -158.4 | 171.6 | 3.3 | -123.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 444 | C | 35.2 | Very low | 36.9 | Very low | 111 Ų | 111 | 143 Ų | 143 | 75% | 0.75 | 78% | 0.782 | S | S | * | * | trans | -74.1 | 153.9 | 171 | -45.7 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 445 | T | 36.9 | Very low | 37 | Very low | 138 Ų | 138 | 143.3 Ų | 143.3 | 85% | 0.847 | 79% | 0.786 | S | S | * | * | trans | -146.7 | 111.2 | 145.8 | 45.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 446 | D | 39.3 | Very low | 36.7 | Very low | 153 Ų | 153 | 149.1 Ų | 149.1 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | -77.2 | 134.9 | 158.4 | -57.4 | -70.6 | 0 | 0 | 0 | 108.7 | ||||
| 447 | E | 42.4 | Very low | 37.1 | Very low | 193 Ų | 193 | 156.9 Ų | 156.9 | 90% | 0.902 | 81% | 0.805 | S | S | * | * | trans | -141.5 | 106.5 | 156.1 | -73.3 | -162.6 | 150.8 | 0 | 0 | 109.4 | ||||
| 448 | D | 43.7 | Very low | 37.4 | Very low | 146 Ų | 146 | 159.5 Ų | 159.5 | 78% | 0.781 | 81% | 0.812 | S | S | * | * | trans | -66.7 | 149.4 | 158.9 | -71.6 | -59.7 | 0 | 0 | 0 | 110 | ||||
| 449 | Y | 38.1 | Very low | 38 | Very low | 203 Ų | 203 | 156.4 Ų | 156.4 | 80% | 0.796 | 81% | 0.809 | S | S | * | * | 171 | 118.3 | 118.2 | -107.6 | -104 | 0 | 0 | 0 | 113 | |||||
| 450 | D | 37.6 | Very low | 38.2 | Very low | 138 Ų | 138 | 165.2 Ų | 165.2 | 74% | 0.738 | 84% | 0.839 | S | S | * | * | 68.4 | 148.8 | 128.9 | -78 | 4.1 | 0 | 0 | 0 | 127.3 | |||||
| 451 | D | 38.8 | Very low | 38.4 | Very low | 118 Ų | 118 | 168.9 Ų | 168.9 | 63% | 0.631 | 84% | 0.843 | S | S | * | * | trans | 74.6 | 100.3 | 145.2 | -162.6 | 28.2 | 0 | 0 | 0 | 121.5 | D453 | D451-D453 PolarHBondContact OD1-N 3.41Š| ||
| 452 | W | 33.7 | Very low | 38.6 | Very low | 251 Ų | 251 | 171.1 Ų | 171.1 | 95% | 0.951 | 85% | 0.846 | S | S | * | * | trans | -149.4 | 69.5 | 145.9 | -80.4 | 103.4 | 0 | 0 | 0 | 111.9 | ||||
| 453 | D | 42.7 | Very low | 38.9 | Very low | 150 Ų | 150 | 174.9 Ų | 174.9 | 80% | 0.802 | 85% | 0.854 | S | S | * | * | trans | -122.3 | 66.7 | 160 | -165.8 | 15.7 | 0 | 0 | 0 | 112.1 | D451 | D451-D453 PolarHBondContact OD1-N 3.41Š| ||
| 454 | Y | 34.8 | Very low | 39.4 | Very low | 201 Ų | 201 | 178.2 Ų | 178.2 | 79% | 0.788 | 86% | 0.856 | S | S | * | * | trans | -146.6 | 67.4 | 175 | -148.7 | -87.1 | 0 | 0 | 0 | 114.3 | ||||
| 455 | M | 39.2 | Very low | 39.6 | Very low | 183 Ų | 183 | 182.4 Ų | 182.4 | 90% | 0.901 | 86% | 0.863 | S | S | * | * | trans | -154.1 | 56.9 | 160.4 | -104.5 | -48.7 | -167.7 | 0 | 0 | 114.1 | ||||
| 456 | R | 42.5 | Very low | 39.8 | Very low | 237 Ų | 237 | 185.3 Ų | 185.3 | 89% | 0.894 | 86% | 0.864 | S | S | * | * | trans | -147.1 | 76.2 | 162.3 | -163.6 | -177.7 | -70.5 | -174.2 | 0.5 | 114.1 | ||||
| 457 | R | 40.7 | Very low | 39.8 | Very low | 242 Ų | 242 | 187.6 Ų | 187.6 | 91% | 0.913 | 87% | 0.867 | S | S | * | * | trans | -177.4 | 103.4 | 149.6 | -100.9 | 161 | -154.2 | -145.3 | 8.2 | 110.2 | ||||
| 458 | Q | 39.1 | Very low | 39.6 | Very low | 202 Ų | 202 | 187.2 Ų | 187.2 | 94% | 0.944 | 87% | 0.865 | S | S | * | * | trans | 162.9 | 98 | 134.6 | -90 | 178.8 | 20.2 | 0 | 0 | 112.4 | ||||
| 459 | A | 43.5 | Very low | 39.3 | Very low | 93 Ų | 93 | 190.7 Ų | 190.7 | 77% | 0.769 | 87% | 0.871 | S | S | * | * | trans | -156 | 110.7 | 143.5 | 0 | 0 | 0 | 0 | 0 | 103.3 | ||||
| 460 | M | 40.9 | Very low | 39.4 | Very low | 270 Ų | 270 | 189.5 Ų | 189.5 | 100% | 1.33 | 88% | 0.878 | S | S | * | * | 53.2 | 0 | 81.2 | -79.1 | -165.2 | 173.8 | 0 | 0 | 112.1 |
Retrieved 460 of 460 residues in 804.2 ms
(Link to these results)