| 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 | 54.8 | Low | 61.1 | Low | 206 Ų | 206 | 93.1 Ų | 93.1 | 100% | 1.015 | 51% | 0.512 | S | S | * | . | 0 | -52.1 | 0 | -89.6 | -165.3 | -96.6 | 0 | 0 | 114.1 | L3 F4 K5 | M1-L3 PolarHBondContact O-N 3.38Å; M1-F4 PolarHBondContact O-N 3.27Å; M1-K5 PolarHBondContact O-N 3.12Å | |||
| 2 | G | 63.3 | Low | 61.7 | Low | 59 Ų | 59 | 88.4 Ų | 88.4 | 61% | 0.608 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -47.7 | -53 | -172.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | F4 K5 A6 | G2-F4 PolarHBondContact O-N 2.69Å; G2-K5 WeakPolarHBondContact O-CB 3.45Å; G2-K5 PolarHBondContact O-N 2.87Å; G2-K5 VanDerWaalsContact O-N 3.14Å; G2-A6 PolarHBondContact O-N 2.87Å |
| 3 | L | 66 | Low | 62.1 | Low | 129 Ų | 129 | 82.7 Ų | 82.7 | 68% | 0.675 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -59.8 | -40.2 | -179.1 | -66.3 | 171.6 | 0 | 0 | 0 | 113.8 | M1 A6 A7 F115 | M1-L3 PolarHBondContact O-N 3.38Å; L3-A6 PolarHBondContact O-N 2.81Å; L3-A7 WeakPolarHBondContact O-CB 3.36Å; L3-A7 PolarHBondContact O-N 2.64Å; L3-F115 HydrophobicContact CD2-CZ 4.08Å |
| 4 | F | 61.6 | Low | 62.5 | Low | 168 Ų | 168 | 76.8 Ų | 76.8 | 74% | 0.737 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -65 | -42 | 175.7 | -70.7 | -75.7 | 0 | 0 | 0 | 111.5 | M1 G2 A7 T8 | M1-F4 PolarHBondContact O-N 3.27Å; G2-F4 PolarHBondContact O-N 2.69Å; F4-A7 PolarHBondContact O-N 2.81Å; F4-T8 WeakPolarHBondContact O-CG2 3.27Å; F4-T8 PolarHBondContact O-N 3Å; F4-T8 PolarHBondContact O-OG1 2.94Å |
| 5 | K | 58.6 | Low | 63.1 | Low | 161 Ų | 161 | 77.5 Ų | 77.5 | 70% | 0.7 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -61.5 | -48 | 176.2 | -166.5 | 176.5 | -179.8 | -177.3 | 0 | 110.5 | M1 G2 A7 T8 S9 | M1-K5 PolarHBondContact O-N 3.12Å; G2-K5 WeakPolarHBondContact O-CB 3.45Å; G2-K5 PolarHBondContact O-N 2.87Å; G2-K5 VanDerWaalsContact O-N 3.14Å; K5-A7 PolarHBondContact O-N 2.89Å; K5-T8 PolarHBondContact O-N 3.44Å; K5-T8 PolarHBondContact O-OG1 3.33Å; K5-S9 PolarHBondContact O-N 3.41Å; K5-S9 PolarHBondContact O-OG 3.06Å; K5-S9 VanDerWaalsContact O-OG 3.07Å |
| 6 | A | 58.6 | Low | 63.6 | Low | 14 Ų | 14 | 73.1 Ų | 73.1 | 12% | 0.116 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -59 | -40.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | G2 L3 S9 S10 | G2-A6 PolarHBondContact O-N 2.87Å; L3-A6 PolarHBondContact O-N 2.81Å; A6-S9 WeakPolarHBondContact CA-OG 3.23Å; A6-S9 PolarHBondContact O-OG 3.15Å; A6-S9 VanDerWaalsContact O-OG 3.07Å; A6-S10 VanDerWaalsContact O-CB 3.25Å; A6-S10 WeakPolarHBondContact O-CB 3.21Å; A6-S10 PolarHBondContact O-N 3.13Å; A6-S10 PolarHBondContact O-OG 2.99Å |
| 7 | A | 59.3 | Low | 64.1 | Low | 30 Ų | 30 | 69.3 Ų | 69.3 | 25% | 0.248 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -66.4 | -45.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L3 F4 K5 S9 S10 I11 F115 | L3-A7 WeakPolarHBondContact O-CB 3.36Å; L3-A7 PolarHBondContact O-N 2.64Å; F4-A7 PolarHBondContact O-N 2.81Å; K5-A7 PolarHBondContact O-N 2.89Å; A7-S9 VanDerWaalsContact C-N 3.34Å; A7-S9 PolarHBondContact O-N 3Å; A7-S10 PolarHBondContact O-N 3.21Å; A7-S10 PolarHBondContact O-OG 2.76Å; A7-I11 WeakPolarHBondContact O-CG1 3.45Å; A7-I11 PolarHBondContact O-N 3.25Å; A7-I11 VanDerWaalsContact O-N 3.09Å; A7-F115 HydrophobicContact CB-CD2 4.4Å; A7-F115 HydrophobicContact CB-CE2 4.1Å |
| 8 | T | 64 | Low | 64.7 | Low | 99 Ų | 99 | 65.7 Ų | 65.7 | 61% | 0.607 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -66.1 | -35.2 | 177.7 | 55.2 | 0 | 0 | 0 | 0 | 112.6 | F4 K5 G12 | F4-T8 WeakPolarHBondContact O-CG2 3.27Å; F4-T8 PolarHBondContact O-N 3Å; F4-T8 PolarHBondContact O-OG1 2.94Å; K5-T8 PolarHBondContact O-N 3.44Å; K5-T8 PolarHBondContact O-OG1 3.33Å; T8-G12 PolarHBondContact O-N 3.47Å; T8-G12 VanDerWaalsContact O-N 3.1Å |
| 9 | S | 60.4 | Low | 65.5 | Low | 52 Ų | 52 | 68.5 Ų | 68.5 | 36% | 0.364 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -74.9 | -36.6 | 174.7 | 58.7 | 0 | 0 | 0 | 0 | 112.4 | K5 A6 A7 G12 G13 | K5-S9 PolarHBondContact O-N 3.41Å; K5-S9 PolarHBondContact O-OG 3.06Å; K5-S9 VanDerWaalsContact O-OG 3.07Å; A6-S9 WeakPolarHBondContact CA-OG 3.23Å; A6-S9 PolarHBondContact O-OG 3.15Å; A6-S9 VanDerWaalsContact O-OG 3.07Å; A7-S9 VanDerWaalsContact C-N 3.34Å; A7-S9 PolarHBondContact O-N 3Å; S9-G12 PolarHBondContact O-N 2.83Å; S9-G13 PolarHBondContact O-N 3.36Å |
| 10 | S | 59.6 | Low | 66.3 | Low | 8 Ų | 8 | 69 Ų | 69 | 6% | 0.056 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -64.8 | -41.8 | 177.6 | 71.1 | 0 | 0 | 0 | 0 | 111.7 | A6 A7 G14 | A6-S10 VanDerWaalsContact O-CB 3.25Å; A6-S10 WeakPolarHBondContact O-CB 3.21Å; A6-S10 PolarHBondContact O-N 3.13Å; A6-S10 PolarHBondContact O-OG 2.99Å; A7-S10 PolarHBondContact O-N 3.21Å; A7-S10 PolarHBondContact O-OG 2.76Å; S10-G14 VanDerWaalsContact O-CA 3.31Å; S10-G14 WeakPolarHBondContact O-CA 3.44Å; S10-G14 PolarHBondContact O-N 2.87Å |
| 11 | I | 66.4 | Low | 67.1 | Low | 98 Ų | 98 | 68.4 Ų | 68.4 | 50% | 0.503 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -68.1 | -47.6 | 175.6 | -63.3 | 167 | 0 | 0 | 0 | 110.5 | A7 L15 | A7-I11 WeakPolarHBondContact O-CG1 3.45Å; A7-I11 PolarHBondContact O-N 3.25Å; A7-I11 VanDerWaalsContact O-N 3.09Å; I11-L15 HydrophobicContact CG2-CD1 3.98Å; I11-L15 WeakPolarHBondContact O-CB 3.35Å; I11-L15 VanDerWaalsContact O-CG 3.31Å; I11-L15 WeakPolarHBondContact O-CG 3.38Å; I11-L15 PolarHBondContact O-N 2.98Å |
| 12 | G | 68.2 | Low | 68.7 | Low | 37 Ų | 37 | 62.2 Ų | 62.2 | 38% | 0.381 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -66.4 | -40.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114 | T8 S9 A16 | T8-G12 PolarHBondContact O-N 3.47Å; T8-G12 VanDerWaalsContact O-N 3.1Å; S9-G12 PolarHBondContact O-N 2.83Å; G12-A16 WeakPolarHBondContact O-CB 3.08Å; G12-A16 PolarHBondContact O-N 2.87Å |
| 13 | G | 66.7 | Low | 70 | Confident | 14 Ų | 14 | 59.9 Ų | 59.9 | 14% | 0.144 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -78 | -42.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | S9 L15 A16 D17 | S9-G13 PolarHBondContact O-N 3.36Å; G13-L15 VanDerWaalsContact C-N 3.33Å; G13-L15 PolarHBondContact O-N 3.22Å; G13-A16 CarbonylContact O-C 3.59Å; G13-A16 WeakPolarHBondContact O-CB 3.38Å; G13-A16 PolarHBondContact O-N 2.98Å; G13-D17 VanDerWaalsContact O-CG 3.31Å; G13-D17 PolarHBondContact O-N 3.47Å |
| 14 | G | 67.4 | Low | 71.3 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -54.4 | -48 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | S10 D17 Q18 | S10-G14 VanDerWaalsContact O-CA 3.31Å; S10-G14 WeakPolarHBondContact O-CA 3.44Å; S10-G14 PolarHBondContact O-N 2.87Å; G14-D17 PolarHBondContact O-N 3.41Å; G14-Q18 WeakPolarHBondContact O-CG 3.05Å; G14-Q18 PolarHBondContact O-N 2.82Å |
| 15 | L | 71.7 | Confident | 72.7 | Confident | 87 Ų | 87 | 49.5 Ų | 49.5 | 46% | 0.455 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -68.4 | -29 | 174.5 | -70 | 173.1 | 0 | 0 | 0 | 114.1 | I11 G13 D17 Q18 M99 | I11-L15 HydrophobicContact CG2-CD1 3.98Å; I11-L15 WeakPolarHBondContact O-CB 3.35Å; I11-L15 VanDerWaalsContact O-CG 3.31Å; I11-L15 WeakPolarHBondContact O-CG 3.38Å; I11-L15 PolarHBondContact O-N 2.98Å; G13-L15 VanDerWaalsContact C-N 3.33Å; G13-L15 PolarHBondContact O-N 3.22Å; L15-D17 VanDerWaalsContact C-N 3.33Å; L15-Q18 PolarHBondContact O-N 2.81Å; L15-M99 HydrophobicContact CD2-CE 3.74Å |
| 16 | A | 71.8 | Confident | 74.2 | Confident | 7 Ų | 7 | 43.1 Ų | 43.1 | 6% | 0.058 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -73.3 | -28.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | G12 G13 Q18 N49 K51 | G12-A16 WeakPolarHBondContact O-CB 3.08Å; G12-A16 PolarHBondContact O-N 2.87Å; G13-A16 CarbonylContact O-C 3.59Å; G13-A16 WeakPolarHBondContact O-CB 3.38Å; G13-A16 PolarHBondContact O-N 2.98Å; A16-Q18 VanDerWaalsContact C-N 3.29Å; A16-N49 PolarHBondContact O-ND2 3.15Å; A16-K51 HydrophobicContact CB-CB 3.98Å |
| 17 | D | 71.8 | Confident | 75.5 | Confident | 9 Ų | 9 | 49 Ų | 49 | 5% | 0.048 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | 0.8 | 177 | -63 | 8.1 | 0 | 0 | 0 | 112.4 | G13 G14 L15 G52 T53 V56 T58 R114 | G13-D17 VanDerWaalsContact O-CG 3.31Å; G13-D17 PolarHBondContact O-N 3.47Å; G14-D17 PolarHBondContact O-N 3.41Å; L15-D17 VanDerWaalsContact C-N 3.33Å; D17-G52 VanDerWaalsContact OD1-CA 3.23Å; D17-G52 WeakPolarHBondContact OD1-CA 3.21Å; D17-T53 PolarHBondContact OD1-N 3.17Å; D17-T53 PolarHBondContact OD1-OG1 3.08Å; D17-T53 VanDerWaalsContact OD2-CB 3.25Å; D17-T53 WeakPolarHBondContact OD2-CB 3.49Å; D17-T53 PolarHBondContact OD2-OG1 2.59Å; D17-V56 HydrophobicContact CB-CG1 4.37Å; D17-T58 WeakPolarHBondContact O-CG2 3.36Å; D17-T58 PolarHBondContact O-OG1 3.05Å; D17-R114 IonicContact OD2-CZ 2.84Å; D17-R114 IonicContact OD2-NH1 3.59Å; D17-R114 PolarHBondContact OD2-NH1 2.87Å; D17-R114 IonicContact OD2-NH2 3.92Å; D17-R114 PolarHBondContact OD2-NH2 2.91Å |
| 18 | Q | 74.5 | Confident | 76.7 | Confident | 5 Ų | 5 | 49.2 Ų | 49.2 | 2% | 0.023 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -22 | 172.2 | -65.9 | -58.7 | -61.9 | 0 | 0 | 112.8 | G14 L15 A16 L20 P97 S98 M99 F100 A107 | G14-Q18 WeakPolarHBondContact O-CG 3.05Å; G14-Q18 PolarHBondContact O-N 2.82Å; L15-Q18 PolarHBondContact O-N 2.81Å; A16-Q18 VanDerWaalsContact C-N 3.29Å; Q18-L20 PolarHBondContact O-N 2.86Å; Q18-P97 PolarHBondContact NE2-O 2.94Å; Q18-P97 PolarHBondContact OE1-O 3.42Å; Q18-S98 PolarHBondContact O-OG 3.25Å; Q18-S98 VanDerWaalsContact OE1-CA 3.3Å; Q18-M99 HydrophobicContact CB-CE 4.47Å; Q18-M99 HydrophobicContact CG-CE 4.16Å; Q18-M99 HydrophobicContact CG-CG 4.24Å; Q18-F100 HydrophobicContact CB-CE2 4.19Å; Q18-F100 VanDerWaalsContact O-CD2 3.23Å; Q18-F100 WeakPolarHBondContact O-CD2 3.49Å; Q18-A107 VanDerWaalsContact OE1-CB 3.25Å |
| 19 | W | 78.9 | Confident | 77.7 | Confident | 119 Ų | 119 | 46.1 Ų | 46.1 | 45% | 0.451 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -66 | 131.7 | -179.8 | -69.3 | 89 | 0 | 0 | 0 | 110.7 | E21 N49 | W19-E21 PolarHBondContact O-N 2.88Å; W19-N49 HydrophobicContact CB-CB 4.46Å; W19-N49 HydrophobicContact CG-CB 4.09Å |
| 20 | L | 82.7 | Confident | 78.7 | Confident | 77 Ų | 77 | 52.2 Ų | 52.2 | 40% | 0.403 | 28% | 0.284 | S | S | . | . | P | Polyproline II helix | trans | -67.2 | 131.4 | 173.4 | -52.6 | -176.2 | 0 | 0 | 0 | 109.7 | Q18 D59 | Q18-L20 PolarHBondContact O-N 2.86Å; L20-D59 WeakPolarHBondContact CD2-O 3.33Å |
| 21 | E | 83.7 | Confident | 80.1 | Confident | 57 Ų | 57 | 54.2 Ų | 54.2 | 27% | 0.266 | 30% | 0.296 | S | S | . | . | P | Polyproline II helix | trans | -96.6 | 160.7 | 176.3 | -58.8 | -150.5 | 152.5 | 0 | 0 | 111.5 | W19 I23 S61 V62 | W19-E21 PolarHBondContact O-N 2.88Å; E21-I23 HydrophobicContact CB-CG1 4.48Å; E21-S61 PolarHBondContact N-OG 3.43Å; E21-S61 VanDerWaalsContact N-OG 3.07Å; E21-S61 WeakPolarHBondContact O-CA 3.3Å; E21-S61 WeakPolarHBondContact O-CB 3.06Å; E21-V62 PolarHBondContact O-N 3.49Å |
| 22 | I | 87.2 | Confident | 81.3 | Confident | 77 Ų | 77 | 49.8 Ų | 49.8 | 40% | 0.395 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 126.8 | 166.3 | -53.9 | 177.5 | 0 | 0 | 0 | 106.7 | A39 V40 V62 H64 | I22-A39 CarbonylContact O-C 3.06Å; I22-A39 WeakPolarHBondContact O-CA 3.39Å; I22-V40 HydrophobicContact CB-CB 4.06Å; I22-V40 HydrophobicContact CB-CG2 4.05Å; I22-V40 HydrophobicContact CG2-CB 4.11Å; I22-V40 HydrophobicContact CG2-CG2 3.63Å; I22-V40 WeakPolarHBondContact O-CG2 3.47Å; I22-V40 PolarHBondContact O-N 3.39Å; I22-V62 CarbonylContact C-O 3.52Å; I22-V62 VanDerWaalsContact CA-O 3.25Å; I22-V62 WeakPolarHBondContact CA-O 3.32Å; I22-H64 WeakPolarHBondContact CG2-NE2 3.48Å |
| 23 | I | 91.9 | Very high | 82.7 | Confident | 9 Ų | 9 | 48 Ų | 48 | 5% | 0.046 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 133.5 | -174.4 | -55 | 176.3 | 0 | 0 | 0 | 109.5 | E21 V38 I57 V62 I63 H64 V127 Y129 | E21-I23 HydrophobicContact CB-CG1 4.48Å; I23-V38 WeakPolarHBondContact CA-O 3.46Å; I23-I57 HydrophobicContact CD1-CD1 3.64Å; I23-I57 HydrophobicContact CD1-CG1 3.85Å; I23-I57 HydrophobicContact CD1-CG2 4.07Å; I23-V62 PolarHBondContact N-O 2.59Å; I23-I63 HydrophobicContact CB-CG1 4.38Å; I23-I63 HydrophobicContact CB-CG2 4.45Å; I23-I63 WeakPolarHBondContact O-CA 3.47Å; I23-H64 PolarHBondContact O-N 3.33Å; I23-V127 HydrophobicContact CB-CG2 4.47Å; I23-V127 HydrophobicContact CD1-CG2 3.74Å; I23-V127 HydrophobicContact CG2-CB 4.1Å; I23-V127 HydrophobicContact CG2-CG2 3.92Å; I23-Y129 PolarHBondContact O-OH 2.95Å |
| 24 | E | 92.4 | Very high | 84 | Confident | 60 Ų | 60 | 47.4 Ų | 47.4 | 28% | 0.28 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 159.3 | 173.9 | 71.6 | -167.9 | 162.9 | 0 | 0 | 109.6 | G37 V38 V40 H64 Y66 Y129 | E24-G37 CarbonylContact O-C 3.52Å; E24-G37 VanDerWaalsContact O-CA 3.28Å; E24-G37 WeakPolarHBondContact O-CA 3.49Å; E24-V38 HydrophobicContact CG-CG2 4.38Å; E24-V38 PolarHBondContact N-O 3.2Å; E24-V38 PolarHBondContact O-N 3.15Å; E24-V40 HydrophobicContact CB-CG2 3.96Å; E24-V40 HydrophobicContact CG-CG2 3.74Å; E24-H64 HydrophobicContact CB-CB 4.16Å; E24-H64 IonicContact OE2-ND1 2.64Å; E24-Y66 HydrophobicContact CB-CE2 4.42Å; E24-Y129 WeakPolarHBondContact CA-OH 3.45Å |
| 25 | P | 91.8 | Very high | 85.4 | Confident | 20 Ų | 20 | 47.4 Ų | 47.4 | 13% | 0.13 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.2 | 142.8 | 172.2 | 23.2 | -33.5 | 0 | 0 | 0 | 111.3 | M28 Y66 M69 Y129 | P25-M28 HydrophobicContact CB-CG 4.41Å; P25-M28 HydrophobicContact CB-SD 4.13Å; P25-Y66 HydrophobicContact CG-CD2 3.77Å; P25-Y66 HydrophobicContact CG-CE2 4.04Å; P25-M69 HydrophobicContact CG-SD 4.26Å; P25-Y129 VanDerWaalsContact CA-CE2 3.46Å; P25-Y129 HydrophobicContact CB-CD1 4.31Å; P25-Y129 HydrophobicContact CB-CD2 3.58Å; P25-Y129 HydrophobicContact CB-CE2 3.89Å; P25-Y129 HydrophobicContact CB-CG 3.78Å; P25-Y129 VanDerWaalsContact CD-CZ 3.5Å; P25-Y129 HydrophobicContact CG-CD1 4.47Å; P25-Y129 HydrophobicContact CG-CD2 4.45Å; P25-Y129 HydrophobicContact CG-CE1 4.49Å; P25-Y129 HydrophobicContact CG-CE2 4.46Å; P25-Y129 HydrophobicContact CG-CG 4.42Å; P25-Y129 VanDerWaalsContact N-CE2 3.33Å |
| 26 | A | 89.5 | Confident | 86.5 | Confident | 27 Ų | 27 | 44.9 Ų | 44.9 | 22% | 0.223 | 23% | 0.234 | C | C | . | . | P | Polyproline II helix | trans | -66.4 | 169.7 | 160.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | M28 S35 K36 V38 | A26-M28 WeakPolarHBondContact O-CG 3.24Å; A26-M28 PolarHBondContact O-N 3.45Å; A26-S35 WeakPolarHBondContact CB-OG 3.36Å; A26-S35 PolarHBondContact O-OG 3.02Å; A26-K36 PolarHBondContact N-O 3Å; A26-K36 VanDerWaalsContact N-O 3.12Å; A26-V38 HydrophobicContact CB-CG1 3.92Å; A26-V38 HydrophobicContact CB-CG2 4.18Å |
| 27 | D | 84.8 | Confident | 87.4 | Confident | 138 Ų | 138 | 45.1 Ų | 45.1 | 74% | 0.738 | 24% | 0.237 | S | C | * | . | P | Polyproline II helix | trans | -50.2 | 123.7 | -173.5 | -167.3 | 13.7 | 0 | 0 | 0 | 112.6 | Q186 | D27-Q186 PolarHBondContact O-NE2 2.94Š|
| 28 | M | 85.8 | Confident | 88.4 | Confident | 34 Ų | 34 | 48 Ų | 48 | 17% | 0.167 | 25% | 0.254 | C | S | . | . | trans | -117.4 | 107.5 | 179.9 | -64.2 | -166.9 | 77.1 | 0 | 0 | 109.2 | P25 A26 T32 M69 N131 | P25-M28 HydrophobicContact CB-CG 4.41Å; P25-M28 HydrophobicContact CB-SD 4.13Å; A26-M28 WeakPolarHBondContact O-CG 3.24Å; A26-M28 PolarHBondContact O-N 3.45Å; M28-T32 HydrophobicContact CB-CG2 4.31Å; M28-T32 HydrophobicContact CE-CG2 3.98Å; M28-T32 HydrophobicContact CG-CG2 4.26Å; M28-M69 HydrophobicContact SD-CE 3.95Å; M28-M69 HydrophobicContact SD-SD 4.05Å; M28-N131 HydrophobicContact CE-CB 3.98Å | ||
| 29 | G | 84 | Confident | 89 | Confident | 34 Ų | 34 | 49.1 Ų | 49.1 | 35% | 0.351 | 27% | 0.265 | S | S | . | . | trans | -72.7 | 171.8 | 174 | 0 | 0 | 0 | 0 | 0 | 112.6 | T31 T32 | G29-T31 PolarHBondContact O-N 3.09Å; G29-T32 PolarHBondContact N-OG1 2.84Å; G29-T32 WeakPolarHBondContact O-CB 3.31Å; G29-T32 PolarHBondContact O-N 2.82Å | ||
| 30 | Q | 82.3 | Confident | 89.1 | Confident | 179 Ų | 179 | 44.8 Ų | 44.8 | 84% | 0.836 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -21.9 | 179 | -66.1 | -177.2 | -10.6 | 0 | 0 | 114.1 | ||
| 31 | T | 87.7 | Confident | 88.6 | Confident | 51 Ų | 51 | 50.2 Ų | 50.2 | 31% | 0.313 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.4 | -5 | -178.5 | 46.2 | 0 | 0 | 0 | 0 | 113.3 | G29 V33 D188 I189 | G29-T31 PolarHBondContact O-N 3.09Å; T31-V33 PolarHBondContact O-N 3.01Å; T31-D188 WeakPolarHBondContact CB-OD1 3.14Å; T31-D188 WeakPolarHBondContact CB-OD2 3.47Å; T31-D188 PolarHBondContact OG1-OD1 3.04Å; T31-D188 PolarHBondContact OG1-OD2 2.92Å; T31-I189 HydrophobicContact CG2-CG2 4.27Å; T31-I189 PolarHBondContact O-N 2.81Å |
| 32 | T | 93.5 | Very high | 87.7 | Confident | 4 Ų | 4 | 54.1 Ų | 54.1 | 3% | 0.025 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 120 | 179.8 | -56.2 | 0 | 0 | 0 | 0 | 110.4 | M28 G29 M34 N131 Q186 V187 D188 | M28-T32 HydrophobicContact CB-CG2 4.31Å; M28-T32 HydrophobicContact CE-CG2 3.98Å; M28-T32 HydrophobicContact CG-CG2 4.26Å; G29-T32 PolarHBondContact N-OG1 2.84Å; G29-T32 WeakPolarHBondContact O-CB 3.31Å; G29-T32 PolarHBondContact O-N 2.82Å; T32-M34 WeakPolarHBondContact CG2-O 3.42Å; T32-N131 WeakPolarHBondContact O-CB 3.41Å; T32-N131 PolarHBondContact O-ND2 3.11Å; T32-Q186 HydrophobicContact CG2-CG 3.96Å; T32-V187 WeakPolarHBondContact CG2-O 3.45Å; T32-D188 PolarHBondContact N-OD2 3.32Å |
| 33 | V | 95.7 | Very high | 86.7 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | -34.3 | 179.5 | -66.1 | 0 | 0 | 0 | 0 | 111.8 | T31 N131 I135 F175 I180 V187 I189 I192 | T31-V33 PolarHBondContact O-N 3.01Å; V33-N131 PolarHBondContact O-N 3.3Å; V33-I135 HydrophobicContact CB-CD1 4.26Å; V33-I135 HydrophobicContact CG1-CD1 3.46Å; V33-I135 VanDerWaalsContact CG1-CD1 3.46Å; V33-F175 HydrophobicContact CB-CE1 3.95Å; V33-F175 HydrophobicContact CB-CZ 3.91Å; V33-F175 HydrophobicContact CG1-CZ 4.06Å; V33-F175 HydrophobicContact CG2-CE1 4.4Å; V33-F175 HydrophobicContact CG2-CZ 4.34Å; V33-I180 HydrophobicContact CB-CD1 4.48Å; V33-I180 HydrophobicContact CG2-CD1 3.67Å; V33-V187 HydrophobicContact CG2-CB 3.79Å; V33-V187 HydrophobicContact CG2-CG1 3.54Å; V33-V187 WeakPolarHBondContact CG2-O 3.23Å; V33-V187 PolarHBondContact N-O 3.02Å; V33-I189 HydrophobicContact CG1-CB 4.02Å; V33-I189 HydrophobicContact CG1-CD1 4.1Å; V33-I192 HydrophobicContact CG1-CD1 4.47Å; V33-I192 HydrophobicContact CG2-CD1 4.1Å |
| 34 | M | 96 | Very high | 85.6 | Confident | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.005 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 143.5 | -177.3 | -176.5 | -80.8 | -79.1 | 0 | 0 | 111.3 | T32 F128 Y129 I130 I180 Q186 V187 | T32-M34 WeakPolarHBondContact CG2-O 3.42Å; M34-F128 HydrophobicContact CE-CD1 4.14Å; M34-F128 HydrophobicContact CE-CE1 4.39Å; M34-F128 HydrophobicContact SD-CB 4.38Å; M34-F128 HydrophobicContact SD-CD1 3.57Å; M34-F128 VanDerWaalsContact SD-CD1 3.57Å; M34-F128 HydrophobicContact SD-CE1 4.31Å; M34-F128 HydrophobicContact SD-CG 4.37Å; M34-Y129 VanDerWaalsContact CA-O 3.24Å; M34-Y129 WeakPolarHBondContact CA-O 3.35Å; M34-I130 HydrophobicContact CB-CD1 4.02Å; M34-I130 HydrophobicContact CG-CD1 3.64Å; M34-I180 HydrophobicContact CB-CD1 3.71Å; M34-I180 HydrophobicContact CB-CG1 4.31Å; M34-I180 HydrophobicContact CE-CG2 3.47Å; M34-I180 VanDerWaalsContact CE-CG2 3.47Å; M34-I180 HydrophobicContact CG-CD1 4.49Å; M34-I180 HydrophobicContact CG-CG2 4.42Å; M34-Q186 WeakPolarHBondContact O-CA 3.32Å; M34-V187 HydrophobicContact CB-CB 4.36Å; M34-V187 HydrophobicContact CE-CG2 3.67Å; M34-V187 PolarHBondContact N-O 3.33Å; M34-V187 PolarHBondContact O-N 2.91Å |
| 35 | S | 95.5 | Very high | 84.4 | Confident | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 144.5 | 170.5 | -169.4 | 0 | 0 | 0 | 0 | 112 | A26 Y129 D185 | A26-S35 WeakPolarHBondContact CB-OG 3.36Å; A26-S35 PolarHBondContact O-OG 3.02Å; S35-Y129 PolarHBondContact N-O 2.86Å; S35-Y129 PolarHBondContact O-N 2.88Å; S35-D185 CarbonylContact C-O 3.56Å |
| 36 | K | 94.2 | Very high | 83.3 | Confident | 34 Ų | 34 | 77.1 Ų | 77.1 | 15% | 0.148 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 146.1 | 175.5 | -174.7 | -177.9 | 169.6 | -171.4 | 0 | 110.6 | A26 D55 Q126 V127 F128 D185 | A26-K36 PolarHBondContact N-O 3Å; A26-K36 VanDerWaalsContact N-O 3.12Å; K36-D55 IonicContact NZ-OD1 3.15Å; K36-D55 PolarHBondContact NZ-OD1 3.02Å; K36-D55 IonicContact NZ-OD2 3.65Å; K36-D55 PolarHBondContact NZ-OD2 3.42Å; K36-Q126 VanDerWaalsContact NZ-NE2 3.11Å; K36-V127 WeakPolarHBondContact CA-O 3.39Å; K36-V127 WeakPolarHBondContact CG-O 3.4Å; K36-F128 HydrophobicContact CB-CD1 4.02Å; K36-F128 HydrophobicContact CB-CE1 4.01Å; K36-F128 HydrophobicContact CD-CE1 4.43Å; K36-F128 HydrophobicContact CG-CD1 4.27Å; K36-F128 HydrophobicContact CG-CE1 4.06Å; K36-D185 HydrophobicContact CB-CB 4.02Å; K36-D185 WeakPolarHBondContact CB-O 3.38Å; K36-D185 HydrophobicContact CD-CB 4.14Å; K36-D185 VanDerWaalsContact CD-OD1 3.27Å; K36-D185 WeakPolarHBondContact CD-OD1 3.3Å; K36-D185 PolarHBondContact N-O 2.92Å |
| 37 | G | 92.6 | Very high | 82.1 | Confident | 12 Ų | 12 | 77.5 Ų | 77.5 | 12% | 0.124 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 140.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | E24 V127 | E24-G37 CarbonylContact O-C 3.52Å; E24-G37 VanDerWaalsContact O-CA 3.28Å; E24-G37 WeakPolarHBondContact O-CA 3.49Å; G37-V127 PolarHBondContact N-O 3.02Å |
| 38 | V | 91.2 | Very high | 81.3 | Confident | 69 Ų | 69 | 75.1 Ų | 75.1 | 42% | 0.418 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 145.7 | 175.1 | -70.2 | 0 | 0 | 0 | 0 | 110.6 | I23 E24 A26 V40 | I23-V38 WeakPolarHBondContact CA-O 3.46Å; E24-V38 HydrophobicContact CG-CG2 4.38Å; E24-V38 PolarHBondContact N-O 3.2Å; E24-V38 PolarHBondContact O-N 3.15Å; A26-V38 HydrophobicContact CB-CG1 3.92Å; A26-V38 HydrophobicContact CB-CG2 4.18Å; V38-V40 PolarHBondContact O-N 3.2Å |
| 39 | A | 86.9 | Confident | 80.7 | Confident | 30 Ų | 30 | 75.5 Ų | 75.5 | 25% | 0.248 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 121.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111 | I22 R41 K42 | I22-A39 CarbonylContact O-C 3.06Å; I22-A39 WeakPolarHBondContact O-CA 3.39Å; A39-R41 PolarHBondContact O-N 3.19Å; A39-K42 HydrophobicContact CB-CB 4.45Å; A39-K42 PolarHBondContact O-N 2.88Å |
| 40 | V | 81.4 | Confident | 80 | Confident | 27 Ų | 27 | 79.3 Ų | 79.3 | 16% | 0.164 | 39% | 0.391 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | 128.7 | 178.8 | 177.8 | 0 | 0 | 0 | 0 | 109.9 | I22 E24 V38 K42 | I22-V40 HydrophobicContact CB-CB 4.06Å; I22-V40 HydrophobicContact CB-CG2 4.05Å; I22-V40 HydrophobicContact CG2-CB 4.11Å; I22-V40 HydrophobicContact CG2-CG2 3.63Å; I22-V40 WeakPolarHBondContact O-CG2 3.47Å; I22-V40 PolarHBondContact O-N 3.39Å; E24-V40 HydrophobicContact CB-CG2 3.96Å; E24-V40 HydrophobicContact CG-CG2 3.74Å; V38-V40 PolarHBondContact O-N 3.2Å; V40-K42 VanDerWaalsContact C-N 3.25Å; V40-K42 PolarHBondContact O-N 3.08Å |
| 41 | R | 72.5 | Confident | 79.3 | Confident | 192 Ų | 192 | 78.9 Ų | 78.9 | 73% | 0.725 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.7 | 27.3 | 173.7 | -62.2 | 169.3 | -161.4 | 161.9 | 7 | 115.3 | A39 D43 D44 | A39-R41 PolarHBondContact O-N 3.19Å; R41-D43 PolarHBondContact O-N 2.88Å; R41-D44 HydrophobicContact CB-CB 4.04Å; R41-D44 WeakPolarHBondContact O-CB 3.41Å; R41-D44 PolarHBondContact O-N 2.84Å |
| 42 | K | 65.3 | Low | 78.4 | Confident | 139 Ų | 139 | 78 Ų | 78 | 60% | 0.604 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -45.4 | -39.3 | 179.1 | -169.2 | 170.2 | -173.1 | 163.2 | 0 | 114.4 | A39 V40 K50 | A39-K42 HydrophobicContact CB-CB 4.45Å; A39-K42 PolarHBondContact O-N 2.88Å; V40-K42 VanDerWaalsContact C-N 3.25Å; V40-K42 PolarHBondContact O-N 3.08Å; K42-K50 PolarHBondContact O-NZ 3Å |
| 43 | D | 65.8 | Low | 77.2 | Confident | 147 Ų | 147 | 79.8 Ų | 79.8 | 79% | 0.786 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.1 | 8 | -178.9 | -68.8 | -42.5 | 0 | 0 | 0 | 115.6 | R41 K45 | R41-D43 PolarHBondContact O-N 2.88Å; D43-K45 PolarHBondContact O-N 3.06Å |
| 44 | D | 69.6 | Low | 76.1 | Confident | 63 Ų | 63 | 83.9 Ų | 83.9 | 34% | 0.337 | 43% | 0.427 | S | S | . | . | trans | -59.5 | 138.1 | 173.4 | -169.6 | -21.2 | 0 | 0 | 0 | 110.3 | R41 R46 G47 K50 | R41-D44 HydrophobicContact CB-CB 4.04Å; R41-D44 WeakPolarHBondContact O-CB 3.41Å; R41-D44 PolarHBondContact O-N 2.84Å; D44-R46 PolarHBondContact O-N 3.39Å; D44-R46 WeakPolarHBondContact OD1-CB 3.28Å; D44-R46 PolarHBondContact OD1-N 3.2Å; D44-G47 PolarHBondContact O-N 3.42Å; D44-G47 VanDerWaalsContact O-N 3.15Å; D44-K50 PolarHBondContact O-NZ 2.84Å | ||
| 45 | K | 66.4 | Low | 75.3 | Confident | 211 Ų | 211 | 85.6 Ų | 85.6 | 92% | 0.917 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -20.3 | 175.2 | -64.4 | -179.4 | -180 | 177.2 | 0 | 112.4 | D43 | D43-K45 PolarHBondContact O-N 3.06Š|
| 46 | R | 68.8 | Low | 74.6 | Confident | 227 Ų | 227 | 86 Ų | 86 | 86% | 0.857 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -18 | 175.2 | -65.1 | 179.5 | 173.4 | -176.2 | -0.7 | 113.4 | D44 S48 | D44-R46 PolarHBondContact O-N 3.39Å; D44-R46 WeakPolarHBondContact OD1-CB 3.28Å; D44-R46 PolarHBondContact OD1-N 3.2Å; R46-S48 PolarHBondContact O-N 3.5Å |
| 47 | G | 64.5 | Low | 74.1 | Confident | 35 Ų | 35 | 84.6 Ų | 84.6 | 36% | 0.361 | 43% | 0.432 | S | S | . | . | trans | -72.7 | 121.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112 | D44 K50 | D44-G47 PolarHBondContact O-N 3.42Å; D44-G47 VanDerWaalsContact O-N 3.15Å; G47-K50 WeakPolarHBondContact O-CE 3.13Å | ||
| 48 | S | 68 | Low | 73.6 | Confident | 88 Ų | 88 | 84.2 Ų | 84.2 | 62% | 0.615 | 43% | 0.427 | S | S | * | . | trans | -85 | -30.8 | 176.2 | 54 | 0 | 0 | 0 | 0 | 113.1 | R46 K50 | R46-S48 PolarHBondContact O-N 3.5Å; S48-K50 PolarHBondContact O-N 2.81Å; S48-K50 VanDerWaalsContact O-N 3.14Å | ||
| 49 | N | 72.6 | Confident | 73.3 | Confident | 42 Ų | 42 | 82.3 Ų | 82.3 | 23% | 0.225 | 42% | 0.415 | C | S | . | . | trans | -75.8 | 102.6 | 177.1 | -169 | 9 | 0 | 0 | 0 | 110.7 | A16 W19 K51 G52 | A16-N49 PolarHBondContact O-ND2 3.15Å; W19-N49 HydrophobicContact CB-CB 4.46Å; W19-N49 HydrophobicContact CG-CB 4.09Å; N49-K51 PolarHBondContact OD1-N 3.13Å; N49-G52 PolarHBondContact OD1-N 3.31Å; N49-G52 VanDerWaalsContact OD1-N 3.1Å | ||
| 50 | K | 68.9 | Low | 73.1 | Confident | 114 Ų | 114 | 81.3 Ų | 81.3 | 50% | 0.496 | 41% | 0.408 | S | S | . | . | trans | -121.3 | 13.9 | 174.9 | -57.8 | -66.8 | 177.3 | 179.6 | 0 | 112.3 | K42 D44 G47 S48 | K42-K50 PolarHBondContact O-NZ 3Å; D44-K50 PolarHBondContact O-NZ 2.84Å; G47-K50 WeakPolarHBondContact O-CE 3.13Å; S48-K50 PolarHBondContact O-N 2.81Å; S48-K50 VanDerWaalsContact O-N 3.14Å | ||
| 51 | K | 69.1 | Low | 73.5 | Confident | 171 Ų | 171 | 80 Ų | 80 | 74% | 0.743 | 40% | 0.4 | S | S | * | . | trans | -131.9 | 1.8 | -173.6 | -73.2 | -174.8 | 177.8 | 178 | 0 | 114.4 | A16 N49 | A16-K51 HydrophobicContact CB-CB 3.98Å; N49-K51 PolarHBondContact OD1-N 3.13Å | ||
| 52 | G | 67.4 | Low | 74.4 | Confident | 31 Ų | 31 | 72.7 Ų | 72.7 | 32% | 0.32 | 38% | 0.376 | S | S | . | . | P | Polyproline II helix | trans | -58.2 | 144.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | D17 N49 | D17-G52 VanDerWaalsContact OD1-CA 3.23Å; D17-G52 WeakPolarHBondContact OD1-CA 3.21Å; N49-G52 PolarHBondContact OD1-N 3.31Å; N49-G52 VanDerWaalsContact OD1-N 3.1Å |
| 53 | T | 69.8 | Low | 75.8 | Confident | 43 Ų | 43 | 66.1 Ų | 66.1 | 26% | 0.264 | 35% | 0.348 | S | S | . | . | P | Polyproline II helix | trans | -70.4 | 131 | 174 | -45 | 0 | 0 | 0 | 0 | 109 | D17 V56 T121 | D17-T53 PolarHBondContact OD1-N 3.17Å; D17-T53 PolarHBondContact OD1-OG1 3.08Å; D17-T53 VanDerWaalsContact OD2-CB 3.25Å; D17-T53 WeakPolarHBondContact OD2-CB 3.49Å; D17-T53 PolarHBondContact OD2-OG1 2.59Å; T53-V56 HydrophobicContact CG2-CG2 4.01Å; T53-T121 HydrophobicContact CG2-CG2 4.08Å |
| 54 | S | 72.5 | Confident | 77.1 | Confident | 86 Ų | 86 | 60.5 Ų | 60.5 | 60% | 0.601 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | 144.9 | 172.6 | 52.8 | 0 | 0 | 0 | 0 | 111.3 | ||
| 55 | D | 79.2 | Confident | 78.3 | Confident | 37 Ų | 37 | 57.7 Ų | 57.7 | 20% | 0.198 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 62.3 | 44.3 | 178.8 | -57.5 | -9 | 0 | 0 | 0 | 112.7 | K36 K124 Q125 Q126 | K36-D55 IonicContact NZ-OD1 3.15Å; K36-D55 PolarHBondContact NZ-OD1 3.02Å; K36-D55 IonicContact NZ-OD2 3.65Å; K36-D55 PolarHBondContact NZ-OD2 3.42Å; D55-K124 HydrophobicContact CB-CG 3.78Å; D55-K124 CarbonylContact O-C 3.56Å; D55-K124 WeakPolarHBondContact O-CA 3.09Å; D55-K124 WeakPolarHBondContact OD2-CE 3.34Å; D55-K124 IonicContact OD2-NZ 3.65Å; D55-Q125 CarbonylContact C-O 3.53Å; D55-Q125 WeakPolarHBondContact CA-O 3.23Å; D55-Q125 VanDerWaalsContact CB-O 3.3Å; D55-Q125 WeakPolarHBondContact CB-O 3.25Å; D55-Q125 PolarHBondContact O-N 3.49Å; D55-Q126 HydrophobicContact CB-CG 4.08Å; D55-Q126 PolarHBondContact OD2-NE2 2.95Å |
| 56 | V | 79.7 | Confident | 79.5 | Confident | 7 Ų | 7 | 52.4 Ų | 52.4 | 4% | 0.042 | 28% | 0.277 | C | S | . | . | trans | -129.9 | 124.9 | 168.2 | -177.7 | 0 | 0 | 0 | 0 | 107.7 | D17 T53 T121 | D17-V56 HydrophobicContact CB-CG1 4.37Å; T53-V56 HydrophobicContact CG2-CG2 4.01Å; V56-T121 HydrophobicContact CG2-CG2 3.37Å | ||
| 57 | I | 84.2 | Confident | 80.7 | Confident | 5 Ų | 5 | 44.6 Ų | 44.6 | 3% | 0.026 | 26% | 0.256 | C | S | . | . | trans | -123.4 | 97.1 | -173.3 | -55.1 | 174.8 | 0 | 0 | 0 | 108 | I23 L73 V91 N93 Q125 V127 | I23-I57 HydrophobicContact CD1-CD1 3.64Å; I23-I57 HydrophobicContact CD1-CG1 3.85Å; I23-I57 HydrophobicContact CD1-CG2 4.07Å; I57-L73 HydrophobicContact CD1-CD1 3.63Å; I57-V91 HydrophobicContact CG2-CB 4.4Å; I57-V91 HydrophobicContact CG2-CG1 4.15Å; I57-V91 HydrophobicContact CG2-CG2 3.99Å; I57-N93 PolarHBondContact O-ND2 3.17Å; I57-Q125 HydrophobicContact CB-CB 4.18Å; I57-Q125 HydrophobicContact CD1-CB 4.06Å; I57-Q125 HydrophobicContact CG1-CB 3.94Å; I57-Q125 PolarHBondContact O-OE1 2.84Å; I57-V127 HydrophobicContact CD1-CG2 3.53Å | ||
| 58 | T | 82.5 | Confident | 82 | Confident | 4 Ų | 4 | 46.8 Ų | 46.8 | 3% | 0.025 | 26% | 0.259 | C | S | . | . | trans | -67 | 143.4 | -173.8 | -30.6 | 0 | 0 | 0 | 0 | 111.1 | D17 G60 S61 A96 | D17-T58 WeakPolarHBondContact O-CG2 3.36Å; D17-T58 PolarHBondContact O-OG1 3.05Å; T58-G60 PolarHBondContact O-N 3.32Å; T58-S61 WeakPolarHBondContact O-CB 3.46Å; T58-S61 PolarHBondContact O-N 3.22Å; T58-S61 PolarHBondContact O-OG 2.84Å; T58-A96 VanDerWaalsContact CG2-O 3.3Å; T58-A96 WeakPolarHBondContact CG2-O 3.23Å | ||
| 59 | D | 83.5 | Confident | 83.2 | Confident | 29 Ų | 29 | 44 Ų | 44 | 16% | 0.155 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -45.2 | 129.1 | 171.1 | -174.3 | 63.8 | 0 | 0 | 0 | 111.7 | L20 N93 A96 S98 N101 | L20-D59 WeakPolarHBondContact CD2-O 3.33Å; D59-N93 HydrophobicContact CB-CB 4.38Å; D59-N93 PolarHBondContact OD1-N 3.07Å; D59-A96 WeakPolarHBondContact CB-O 3.2Å; D59-A96 PolarHBondContact N-O 3.44Å; D59-S98 WeakPolarHBondContact O-CB 3.49Å; D59-N101 PolarHBondContact O-ND2 3.35Å; D59-N101 PolarHBondContact OD2-ND2 3.44Å |
| 60 | G | 83.8 | Confident | 84.3 | Confident | 10 Ų | 10 | 42.8 Ų | 42.8 | 10% | 0.103 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85.9 | -2.5 | -174.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | T58 V91 N101 | T58-G60 PolarHBondContact O-N 3.32Å; G60-V91 PolarHBondContact N-O 2.71Å; G60-N101 VanDerWaalsContact CA-ND2 3.3Å; G60-N101 WeakPolarHBondContact CA-ND2 3.34Å; G60-N101 PolarHBondContact N-ND2 3.16Å |
| 61 | S | 89.3 | Confident | 85.5 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 21% | 0.206 | C | C | . | . | trans | -63.3 | 150.1 | 171.7 | -60.9 | 0 | 0 | 0 | 0 | 110.8 | E21 T58 V91 | E21-S61 PolarHBondContact N-OG 3.43Å; E21-S61 VanDerWaalsContact N-OG 3.07Å; E21-S61 WeakPolarHBondContact O-CA 3.3Å; E21-S61 WeakPolarHBondContact O-CB 3.06Å; T58-S61 WeakPolarHBondContact O-CB 3.46Å; T58-S61 PolarHBondContact O-N 3.22Å; T58-S61 PolarHBondContact O-OG 2.84Å; S61-V91 WeakPolarHBondContact O-CB 3.45Å; S61-V91 WeakPolarHBondContact O-CG2 3.27Å; S61-V91 PolarHBondContact O-N 3.49Å | ||
| 62 | V | 91.6 | Very high | 86.7 | Confident | 38 Ų | 38 | 29.2 Ų | 29.2 | 23% | 0.23 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 131.6 | -174.5 | 178.8 | 0 | 0 | 0 | 0 | 110.8 | E21 I22 I23 Y88 Y89 | E21-V62 PolarHBondContact O-N 3.49Å; I22-V62 CarbonylContact C-O 3.52Å; I22-V62 VanDerWaalsContact CA-O 3.25Å; I22-V62 WeakPolarHBondContact CA-O 3.32Å; I23-V62 PolarHBondContact N-O 2.59Å; V62-Y88 HydrophobicContact CG1-CD1 3.85Å; V62-Y88 HydrophobicContact CG1-CG 4.35Å; V62-Y89 CarbonylContact C-O 3.54Å; V62-Y89 WeakPolarHBondContact CA-O 3.4Å |
| 63 | I | 93.6 | Very high | 87.9 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 126.8 | 177.8 | -52.7 | 174.6 | 0 | 0 | 0 | 108.8 | I23 M71 L73 Y89 V91 V127 Y129 | I23-I63 HydrophobicContact CB-CG1 4.38Å; I23-I63 HydrophobicContact CB-CG2 4.45Å; I23-I63 WeakPolarHBondContact O-CA 3.47Å; I63-M71 HydrophobicContact CD1-CE 4Å; I63-M71 HydrophobicContact CD1-SD 3.84Å; I63-M71 HydrophobicContact CG2-CG 3.59Å; I63-M71 HydrophobicContact CG2-SD 4.21Å; I63-L73 HydrophobicContact CD1-CD1 4.5Å; I63-Y89 HydrophobicContact CD1-CD1 4.37Å; I63-Y89 PolarHBondContact N-O 3.03Å; I63-Y89 PolarHBondContact O-N 3.46Å; I63-V91 HydrophobicContact CD1-CG2 3.37Å; I63-V91 HydrophobicContact CG1-CG2 3.73Å; I63-V127 HydrophobicContact CD1-CG1 4.45Å; I63-V127 HydrophobicContact CD1-CG2 3.65Å; I63-V127 HydrophobicContact CG1-CG2 4.27Å; I63-V127 HydrophobicContact CG2-CG1 3.9Å; I63-V127 HydrophobicContact CG2-CG2 4.48Å; I63-Y129 HydrophobicContact CG2-CE1 4.32Å; I63-Y129 WeakPolarHBondContact CG2-OH 3.23Å |
| 64 | H | 94.6 | Very high | 88.9 | Confident | 29 Ų | 29 | 26 Ų | 26 | 13% | 0.134 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 116.4 | 177.9 | -68.3 | 178.7 | 0 | 0 | 0 | 110.5 | I22 I23 E24 Y66 Y88 Y129 | I22-H64 WeakPolarHBondContact CG2-NE2 3.48Å; I23-H64 PolarHBondContact O-N 3.33Å; E24-H64 HydrophobicContact CB-CB 4.16Å; E24-H64 IonicContact OE2-ND1 2.64Å; H64-Y66 HydrophobicContact CB-CE2 4.11Å; H64-Y88 AromaticContact CD2-CD1 3.56Å; H64-Y88 AromaticContact CD2-CE1 3.56Å; H64-Y88 AromaticContact NE2-CD1 3.83Å; H64-Y88 AromaticContact NE2-CE1 3.45Å; H64-Y88 WeakPolarHBondContact NE2-CE1 3.25Å; H64-Y129 VanDerWaalsContact O-CE1 3.24Å; H64-Y129 WeakPolarHBondContact O-CE1 3.35Å; H64-Y129 PolarHBondContact O-OH 3Å |
| 65 | V | 93.4 | Very high | 89.6 | Confident | 4 Ų | 4 | 23.3 Ų | 23.3 | 2% | 0.024 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 110.1 | 176.6 | -170.6 | 0 | 0 | 0 | 0 | 108.7 | M71 T83 E85 G87 | V65-M71 HydrophobicContact CG1-CB 4.42Å; V65-M71 HydrophobicContact CG2-CB 3.8Å; V65-M71 HydrophobicContact CG2-CG 4.23Å; V65-T83 HydrophobicContact CG2-CG2 3.91Å; V65-E85 WeakPolarHBondContact CB-O 3.48Å; V65-E85 WeakPolarHBondContact CG1-O 3.25Å; V65-G87 PolarHBondContact N-O 2.84Å; V65-G87 PolarHBondContact O-N 2.89Å |
| 66 | Y | 93.1 | Very high | 89.7 | Confident | 101 Ų | 101 | 24.8 Ų | 24.8 | 40% | 0.396 | 15% | 0.148 | S | C | . | . | trans | -87.4 | 159.9 | -178.9 | -70.4 | -71.6 | 0 | 0 | 0 | 112.3 | E24 P25 H64 N68 M69 | E24-Y66 HydrophobicContact CB-CE2 4.42Å; P25-Y66 HydrophobicContact CG-CD2 3.77Å; P25-Y66 HydrophobicContact CG-CE2 4.04Å; H64-Y66 HydrophobicContact CB-CE2 4.11Å; Y66-N68 PolarHBondContact O-N 3.41Å; Y66-M69 WeakPolarHBondContact O-CB 3.3Å; Y66-M69 PolarHBondContact O-N 2.98Å | ||
| 67 | P | 92.5 | Very high | 89.8 | Confident | 63 Ų | 63 | 27.8 Ų | 27.8 | 41% | 0.409 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | 133.5 | -178.6 | -28.9 | 35.6 | 0 | 0 | 0 | 114.5 | M69 E86 | P67-M69 VanDerWaalsContact C-N 3.34Å; P67-E86 VanDerWaalsContact CA-OE1 3.23Å; P67-E86 WeakPolarHBondContact CA-OE1 3.24Å; P67-E86 VanDerWaalsContact CB-OE1 3.27Å; P67-E86 WeakPolarHBondContact CB-OE1 3.37Å |
| 68 | N | 91.9 | Very high | 89.9 | Confident | 81 Ų | 81 | 34.6 Ų | 34.6 | 43% | 0.433 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.2 | 36.9 | -177.3 | -47 | -96.2 | 0 | 0 | 0 | 113.9 | Y66 L132 Q133 | Y66-N68 PolarHBondContact O-N 3.41Å; N68-L132 HydrophobicContact CB-CB 4.39Å; N68-L132 WeakPolarHBondContact O-CA 3.36Å; N68-L132 VanDerWaalsContact O-CB 3.25Å; N68-L132 WeakPolarHBondContact O-CB 3.35Å; N68-L132 PolarHBondContact O-N 3.23Å; N68-Q133 HydrophobicContact CB-CG 3.4Å; N68-Q133 VanDerWaalsContact CB-CG 3.4Å |
| 69 | M | 93.1 | Very high | 90.1 | Very high | 30 Ų | 30 | 36.5 Ų | 36.5 | 15% | 0.148 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 146.2 | 169.2 | -60.7 | -176.5 | 177.9 | 0 | 0 | 110.1 | P25 M28 Y66 P67 I130 | P25-M69 HydrophobicContact CG-SD 4.26Å; M28-M69 HydrophobicContact SD-CE 3.95Å; M28-M69 HydrophobicContact SD-SD 4.05Å; Y66-M69 WeakPolarHBondContact O-CB 3.3Å; Y66-M69 PolarHBondContact O-N 2.98Å; P67-M69 VanDerWaalsContact C-N 3.34Å; M69-I130 WeakPolarHBondContact CA-O 3.45Å |
| 70 | M | 95.6 | Very high | 90.4 | Very high | 15 Ų | 15 | 38.8 Ų | 38.8 | 7% | 0.074 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 123.9 | 168.3 | -176.5 | 161.8 | -180 | 0 | 0 | 109.8 | L72 Y82 A84 Y129 I130 L132 P172 I173 | M70-L72 HydrophobicContact CE-CD2 3.83Å; M70-L72 HydrophobicContact CG-CD2 4.04Å; M70-L72 HydrophobicContact SD-CD2 4.36Å; M70-Y82 HydrophobicContact CE-CD1 4.42Å; M70-Y82 HydrophobicContact CE-CD2 3.2Å; M70-Y82 HydrophobicContact CE-CE2 3.9Å; M70-Y82 HydrophobicContact CE-CG 3.5Å; M70-A84 HydrophobicContact CB-CB 4.34Å; M70-A84 HydrophobicContact CG-CB 4.37Å; M70-Y129 CarbonylContact O-C 3.56Å; M70-Y129 WeakPolarHBondContact O-CA 3.2Å; M70-I130 HydrophobicContact CB-CB 4.46Å; M70-I130 PolarHBondContact N-O 3.2Å; M70-I130 PolarHBondContact O-N 2.91Å; M70-L132 HydrophobicContact CB-CD1 4.1Å; M70-L132 HydrophobicContact CB-CD2 3.97Å; M70-L132 HydrophobicContact CB-CG 4.28Å; M70-P172 HydrophobicContact CB-CB 4.18Å; M70-P172 HydrophobicContact CB-CG 4.28Å; M70-P172 HydrophobicContact CG-CB 4.33Å; M70-P172 HydrophobicContact SD-CB 3.52Å; M70-P172 VanDerWaalsContact SD-CB 3.52Å; M70-P172 HydrophobicContact SD-CG 3.54Å; M70-P172 VanDerWaalsContact SD-CG 3.54Å; M70-I173 HydrophobicContact CE-CD1 4.04Å; M70-I173 HydrophobicContact CE-CG1 3.88Å |
| 71 | M | 95.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 130.8 | 173.7 | -173.4 | -76.5 | -69.1 | 0 | 0 | 109.5 | I63 V65 L73 Y82 T83 Y89 V127 F128 Y129 | I63-M71 HydrophobicContact CD1-CE 4Å; I63-M71 HydrophobicContact CD1-SD 3.84Å; I63-M71 HydrophobicContact CG2-CG 3.59Å; I63-M71 HydrophobicContact CG2-SD 4.21Å; V65-M71 HydrophobicContact CG1-CB 4.42Å; V65-M71 HydrophobicContact CG2-CB 3.8Å; V65-M71 HydrophobicContact CG2-CG 4.23Å; M71-L73 HydrophobicContact SD-CB 4.26Å; M71-Y82 CarbonylContact O-C 3.57Å; M71-Y82 WeakPolarHBondContact O-CA 3.5Å; M71-Y82 VanDerWaalsContact O-CB 3.24Å; M71-Y82 WeakPolarHBondContact O-CB 3.29Å; M71-T83 HydrophobicContact CE-CG2 4.07Å; M71-T83 PolarHBondContact N-O 2.91Å; M71-T83 PolarHBondContact O-N 2.64Å; M71-Y89 HydrophobicContact CE-CD1 3.48Å; M71-Y89 VanDerWaalsContact CE-CD1 3.48Å; M71-Y89 HydrophobicContact CE-CD2 4.42Å; M71-Y89 HydrophobicContact CE-CE1 3.94Å; M71-Y89 HydrophobicContact CE-CG 3.76Å; M71-V127 HydrophobicContact CG-CG1 3.65Å; M71-V127 HydrophobicContact SD-CG1 3.86Å; M71-F128 CarbonylContact C-O 3.54Å; M71-F128 WeakPolarHBondContact CA-O 3.41Å; M71-Y129 HydrophobicContact CB-CD1 4.22Å; M71-Y129 HydrophobicContact CB-CE1 4.06Å; M71-Y129 HydrophobicContact CG-CD1 4.4Å; M71-Y129 HydrophobicContact CG-CE1 3.9Å |
| 72 | L | 94.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 122.2 | 174.6 | -54.1 | 179.7 | 0 | 0 | 0 | 109 | M70 V74 I79 V127 F128 I130 F176 | M70-L72 HydrophobicContact CE-CD2 3.83Å; M70-L72 HydrophobicContact CG-CD2 4.04Å; M70-L72 HydrophobicContact SD-CD2 4.36Å; L72-V74 HydrophobicContact CB-CG2 4.44Å; L72-I79 HydrophobicContact CD1-CD1 4.45Å; L72-V127 CarbonylContact O-C 3.56Å; L72-V127 WeakPolarHBondContact O-CA 2.81Å; L72-F128 HydrophobicContact CB-CB 4.46Å; L72-F128 PolarHBondContact N-O 2.85Å; L72-F128 PolarHBondContact O-N 2.9Å; L72-I130 HydrophobicContact CD1-CD1 4.12Å; L72-I130 HydrophobicContact CD1-CG1 3.8Å; L72-I130 HydrophobicContact CG-CG1 4.29Å; L72-F176 HydrophobicContact CD1-CB 3.71Å; L72-F176 HydrophobicContact CD1-CD1 3.91Å; L72-F176 HydrophobicContact CD1-CD2 3.85Å; L72-F176 HydrophobicContact CD1-CE1 4.48Å; L72-F176 HydrophobicContact CD1-CE2 4.42Å; L72-F176 HydrophobicContact CD1-CG 3.54Å |
| 73 | L | 92.7 | Very high | 90.9 | Very high | 3 Ų | 3 | 45.6 Ų | 45.6 | 2% | 0.016 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 118.5 | 171.1 | -177.7 | 63.1 | 0 | 0 | 0 | 109.2 | I57 I63 M71 I79 I80 D81 V91 V127 | I57-L73 HydrophobicContact CD1-CD1 3.63Å; I63-L73 HydrophobicContact CD1-CD1 4.5Å; M71-L73 HydrophobicContact SD-CB 4.26Å; L73-I79 WeakPolarHBondContact O-CA 3.46Å; L73-I80 HydrophobicContact CB-CG1 4.29Å; L73-I80 HydrophobicContact CD2-CD1 3.79Å; L73-I80 HydrophobicContact CD2-CG1 4.03Å; L73-I80 HydrophobicContact CG-CD1 3.89Å; L73-I80 HydrophobicContact CG-CG1 3.79Å; L73-I80 WeakPolarHBondContact O-CG1 3.47Å; L73-I80 PolarHBondContact O-N 2.8Å; L73-D81 HydrophobicContact CB-CB 3.96Å; L73-D81 HydrophobicContact CD2-CB 4.11Å; L73-D81 PolarHBondContact N-O 3.29Å; L73-D81 PolarHBondContact O-N 2.92Å; L73-V91 HydrophobicContact CD2-CG1 3.96Å; L73-V91 HydrophobicContact CD2-CG2 4.5Å; L73-V127 HydrophobicContact CD1-CG2 4.21Å |
| 74 | V | 90.8 | Very high | 90.8 | Very high | 4 Ų | 4 | 48.1 Ų | 48.1 | 2% | 0.024 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 120.9 | -172.7 | 179 | 0 | 0 | 0 | 0 | 110.2 | L72 K78 I79 Q125 Q126 F128 F176 | L72-V74 HydrophobicContact CB-CG2 4.44Å; V74-K78 CarbonylContact C-O 3.59Å; V74-K78 VanDerWaalsContact CA-O 3.3Å; V74-K78 WeakPolarHBondContact CA-O 3.11Å; V74-I79 HydrophobicContact CG2-CG1 4Å; V74-Q125 CarbonylContact O-C 3.24Å; V74-Q125 VanDerWaalsContact O-CA 3.29Å; V74-Q125 WeakPolarHBondContact O-CA 3.2Å; V74-Q126 PolarHBondContact N-O 3.32Å; V74-Q126 PolarHBondContact O-N 3.19Å; V74-F128 HydrophobicContact CB-CD2 4.23Å; V74-F128 HydrophobicContact CB-CE2 4.16Å; V74-F128 HydrophobicContact CG2-CD2 3.8Å; V74-F128 HydrophobicContact CG2-CE2 4.16Å; V74-F176 HydrophobicContact CG2-CE1 4.23Å; V74-F176 HydrophobicContact CG2-CZ 4.22Å |
| 75 | D | 86.7 | Confident | 90.7 | Very high | 30 Ų | 30 | 54.2 Ų | 54.2 | 16% | 0.16 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 126.8 | 171.8 | -166.5 | -3.8 | 0 | 0 | 0 | 110.5 | G77 K78 I80 K124 Q125 | D75-G77 PolarHBondContact O-N 2.87Å; D75-K78 PolarHBondContact N-O 3.46Å; D75-K78 PolarHBondContact O-N 2.98Å; D75-I80 HydrophobicContact CB-CD1 3.94Å; D75-I80 HydrophobicContact CB-CG1 4.33Å; D75-I80 HydrophobicContact CB-CG2 4.03Å; D75-K124 WeakPolarHBondContact CA-O 3.17Å; D75-K124 PolarHBondContact OD1-N 2.83Å; D75-Q125 HydrophobicContact CB-CG 3.74Å; D75-Q125 VanDerWaalsContact CG-CG 3.42Å; D75-Q125 PolarHBondContact OD2-NE2 2.93Å |
| 76 | G | 82.3 | Confident | 90.6 | Very high | 68 Ų | 68 | 60.1 Ų | 60.1 | 70% | 0.701 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.6 | 18.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | K124 | G76-K124 PolarHBondContact N-O 3.25Š|
| 77 | G | 80.8 | Confident | 90.6 | Very high | 69 Ų | 69 | 56.8 Ų | 56.8 | 71% | 0.711 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89 | 2.6 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | D75 | D75-G77 PolarHBondContact O-N 2.87Š|
| 78 | K | 85.5 | Confident | 90.5 | Very high | 149 Ų | 149 | 62.4 Ų | 62.4 | 65% | 0.648 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 129.4 | 172 | -172.6 | -166.3 | 171.5 | -168.8 | 0 | 109.8 | V74 D75 I80 | V74-K78 CarbonylContact C-O 3.59Å; V74-K78 VanDerWaalsContact CA-O 3.3Å; V74-K78 WeakPolarHBondContact CA-O 3.11Å; D75-K78 PolarHBondContact N-O 3.46Å; D75-K78 PolarHBondContact O-N 2.98Å; K78-I80 PolarHBondContact O-N 3.26Å; K78-I80 VanDerWaalsContact O-N 3.17Å |
| 79 | I | 88.6 | Confident | 90.5 | Very high | 44 Ų | 44 | 61 Ų | 61 | 23% | 0.226 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.7 | 117.7 | 166.2 | -56.4 | 167.8 | 0 | 0 | 0 | 107.7 | L72 L73 V74 D81 Y82 I173 F176 | L72-I79 HydrophobicContact CD1-CD1 4.45Å; L73-I79 WeakPolarHBondContact O-CA 3.46Å; V74-I79 HydrophobicContact CG2-CG1 4Å; I79-D81 WeakPolarHBondContact CG2-O 3.4Å; I79-Y82 HydrophobicContact CG2-CD1 3.97Å; I79-I173 HydrophobicContact CD1-CG2 4.02Å; I79-F176 HydrophobicContact CD1-CD1 3.99Å; I79-F176 HydrophobicContact CD1-CE1 4.42Å; I79-F176 HydrophobicContact CG1-CD1 4.38Å; I79-F176 HydrophobicContact CG1-CE1 4.32Å |
| 80 | I | 87.8 | Confident | 90.4 | Very high | 76 Ų | 76 | 63.3 Ų | 63.3 | 39% | 0.39 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | -28.4 | 176.3 | 56.2 | 163.9 | 0 | 0 | 0 | 111.9 | L73 D75 K78 | L73-I80 HydrophobicContact CB-CG1 4.29Å; L73-I80 HydrophobicContact CD2-CD1 3.79Å; L73-I80 HydrophobicContact CD2-CG1 4.03Å; L73-I80 HydrophobicContact CG-CD1 3.89Å; L73-I80 HydrophobicContact CG-CG1 3.79Å; L73-I80 WeakPolarHBondContact O-CG1 3.47Å; L73-I80 PolarHBondContact O-N 2.8Å; D75-I80 HydrophobicContact CB-CD1 3.94Å; D75-I80 HydrophobicContact CB-CG1 4.33Å; D75-I80 HydrophobicContact CB-CG2 4.03Å; K78-I80 PolarHBondContact O-N 3.26Å; K78-I80 VanDerWaalsContact O-N 3.17Å |
| 81 | D | 90.3 | Very high | 90.1 | Very high | 52 Ų | 52 | 62.6 Ų | 62.6 | 28% | 0.278 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 162.8 | 179.6 | -142.3 | -41.6 | 0 | 0 | 0 | 111.1 | L73 I79 Y89 | L73-D81 HydrophobicContact CB-CB 3.96Å; L73-D81 HydrophobicContact CD2-CB 4.11Å; L73-D81 PolarHBondContact N-O 3.29Å; L73-D81 PolarHBondContact O-N 2.92Å; I79-D81 WeakPolarHBondContact CG2-O 3.4Å; D81-Y89 PolarHBondContact OD1-OH 2.77Å; D81-Y89 PolarHBondContact OD2-OH 3.49Å |
| 82 | Y | 93.1 | Very high | 89.4 | Confident | 122 Ų | 122 | 70.2 Ų | 70.2 | 48% | 0.478 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -163 | 154.8 | 174.3 | 56.1 | -100.4 | 0 | 0 | 0 | 112.3 | M70 M71 I79 I173 | M70-Y82 HydrophobicContact CE-CD1 4.42Å; M70-Y82 HydrophobicContact CE-CD2 3.2Å; M70-Y82 HydrophobicContact CE-CE2 3.9Å; M70-Y82 HydrophobicContact CE-CG 3.5Å; M71-Y82 CarbonylContact O-C 3.57Å; M71-Y82 WeakPolarHBondContact O-CA 3.5Å; M71-Y82 VanDerWaalsContact O-CB 3.24Å; M71-Y82 WeakPolarHBondContact O-CB 3.29Å; I79-Y82 HydrophobicContact CG2-CD1 3.97Å; Y82-I173 HydrophobicContact CD1-CD1 3.96Å; Y82-I173 HydrophobicContact CD2-CD1 4.48Å; Y82-I173 HydrophobicContact CE1-CD1 3.57Å; Y82-I173 HydrophobicContact CE2-CD1 4.13Å; Y82-I173 HydrophobicContact CG-CD1 4.39Å |
| 83 | T | 93.2 | Very high | 88.4 | Confident | 18 Ų | 18 | 70.5 Ų | 70.5 | 11% | 0.11 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 152.9 | 164 | -170.2 | 0 | 0 | 0 | 0 | 112.3 | V65 M71 E85 Y89 | V65-T83 HydrophobicContact CG2-CG2 3.91Å; M71-T83 HydrophobicContact CE-CG2 4.07Å; M71-T83 PolarHBondContact N-O 2.91Å; M71-T83 PolarHBondContact O-N 2.64Å; T83-E85 WeakPolarHBondContact OG1-CB 3.4Å; T83-E85 PolarHBondContact OG1-N 2.85Å; T83-Y89 HydrophobicContact CG2-CD2 3.55Å; T83-Y89 HydrophobicContact CG2-CE2 4.26Å; T83-Y89 HydrophobicContact CG2-CG 3.98Å |
| 84 | A | 91.4 | Very high | 87.3 | Confident | 53 Ų | 53 | 77.9 Ų | 77.9 | 44% | 0.438 | 42% | 0.42 | S | S | . | . | trans | -114.3 | 9 | 166.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | M70 L132 | M70-A84 HydrophobicContact CB-CB 4.34Å; M70-A84 HydrophobicContact CG-CB 4.37Å; A84-L132 HydrophobicContact CB-CD1 4.19Å | ||
| 85 | E | 91.4 | Very high | 86.2 | Confident | 157 Ų | 157 | 80.8 Ų | 80.8 | 73% | 0.734 | 44% | 0.441 | S | S | * | . | trans | -74 | 126 | 173.2 | -64 | -171.6 | 160.8 | 0 | 0 | 110.1 | V65 T83 | V65-E85 WeakPolarHBondContact CB-O 3.48Å; V65-E85 WeakPolarHBondContact CG1-O 3.25Å; T83-E85 WeakPolarHBondContact OG1-CB 3.4Å; T83-E85 PolarHBondContact OG1-N 2.85Å | ||
| 86 | E | 92.4 | Very high | 85.3 | Confident | 127 Ų | 127 | 79.6 Ų | 79.6 | 59% | 0.593 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -70.2 | 135.5 | -176.8 | -52.9 | -177.9 | 173.3 | 0 | 0 | 111.6 | P67 | P67-E86 VanDerWaalsContact CA-OE1 3.23Å; P67-E86 WeakPolarHBondContact CA-OE1 3.24Å; P67-E86 VanDerWaalsContact CB-OE1 3.27Å; P67-E86 WeakPolarHBondContact CB-OE1 3.37Å |
| 87 | G | 92.9 | Very high | 84.5 | Confident | 31 Ų | 31 | 76.9 Ų | 76.9 | 32% | 0.32 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 129.5 | -133.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | V65 | V65-G87 PolarHBondContact N-O 2.84Å; V65-G87 PolarHBondContact O-N 2.89Å |
| 88 | Y | 91.1 | Very high | 83.7 | Confident | 182 Ų | 182 | 73.6 Ų | 73.6 | 71% | 0.714 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113 | 100.1 | -171.7 | -61.1 | -77.9 | 0 | 0 | 0 | 110.2 | V62 H64 | V62-Y88 HydrophobicContact CG1-CD1 3.85Å; V62-Y88 HydrophobicContact CG1-CG 4.35Å; H64-Y88 AromaticContact CD2-CD1 3.56Å; H64-Y88 AromaticContact CD2-CE1 3.56Å; H64-Y88 AromaticContact NE2-CD1 3.83Å; H64-Y88 AromaticContact NE2-CE1 3.45Å; H64-Y88 WeakPolarHBondContact NE2-CE1 3.25Å |
| 89 | Y | 91.5 | Very high | 82.6 | Confident | 50 Ų | 50 | 69.4 Ų | 69.4 | 20% | 0.196 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 127.3 | 174.1 | -174.5 | -94.5 | 0 | 0 | 0 | 110 | V62 I63 M71 D81 T83 V91 | V62-Y89 CarbonylContact C-O 3.54Å; V62-Y89 WeakPolarHBondContact CA-O 3.4Å; I63-Y89 HydrophobicContact CD1-CD1 4.37Å; I63-Y89 PolarHBondContact N-O 3.03Å; I63-Y89 PolarHBondContact O-N 3.46Å; M71-Y89 HydrophobicContact CE-CD1 3.48Å; M71-Y89 VanDerWaalsContact CE-CD1 3.48Å; M71-Y89 HydrophobicContact CE-CD2 4.42Å; M71-Y89 HydrophobicContact CE-CE1 3.94Å; M71-Y89 HydrophobicContact CE-CG 3.76Å; D81-Y89 PolarHBondContact OD1-OH 2.77Å; D81-Y89 PolarHBondContact OD2-OH 3.49Å; T83-Y89 HydrophobicContact CG2-CD2 3.55Å; T83-Y89 HydrophobicContact CG2-CE2 4.26Å; T83-Y89 HydrophobicContact CG2-CG 3.98Å; Y89-V91 HydrophobicContact CD1-CG2 4.3Å; Y89-V91 HydrophobicContact CE1-CG2 4.34Å |
| 90 | T | 91.5 | Very high | 81.6 | Confident | 79 Ų | 79 | 73 Ų | 73 | 49% | 0.485 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 124 | 176.1 | -56.2 | 0 | 0 | 0 | 0 | 109 | E92 | T90-E92 PolarHBondContact O-N 2.92Å |
| 91 | V | 87.7 | Confident | 80.1 | Confident | 0 Ų | 0 | 72.9 Ų | 72.9 | 0% | 0 | 37% | 0.37 | C | S | . | . | P | Polyproline II helix | trans | -76 | 118.2 | -175.5 | 175 | 0 | 0 | 0 | 0 | 110.9 | I57 G60 S61 I63 L73 Y89 N93 | I57-V91 HydrophobicContact CG2-CB 4.4Å; I57-V91 HydrophobicContact CG2-CG1 4.15Å; I57-V91 HydrophobicContact CG2-CG2 3.99Å; G60-V91 PolarHBondContact N-O 2.71Å; S61-V91 WeakPolarHBondContact O-CB 3.45Å; S61-V91 WeakPolarHBondContact O-CG2 3.27Å; S61-V91 PolarHBondContact O-N 3.49Å; I63-V91 HydrophobicContact CD1-CG2 3.37Å; I63-V91 HydrophobicContact CG1-CG2 3.73Å; L73-V91 HydrophobicContact CD2-CG1 3.96Å; L73-V91 HydrophobicContact CD2-CG2 4.5Å; Y89-V91 HydrophobicContact CD1-CG2 4.3Å; Y89-V91 HydrophobicContact CE1-CG2 4.34Å; V91-N93 HydrophobicContact CG1-CB 3.86Å |
| 92 | E | 80.7 | Confident | 78.6 | Confident | 161 Ų | 161 | 73.6 Ų | 73.6 | 75% | 0.752 | 39% | 0.389 | S | S | * | . | trans | -91.1 | 107 | 167.6 | -62.7 | -169.5 | 177.2 | 0 | 0 | 109.4 | T90 | T90-E92 PolarHBondContact O-N 2.92Š| ||
| 93 | N | 75.1 | Confident | 77 | Confident | 6 Ų | 6 | 69.1 Ų | 69.1 | 3% | 0.032 | 38% | 0.375 | C | S | . | . | trans | -135.2 | 82.7 | -174.1 | -169.6 | -2.1 | 0 | 0 | 0 | 113.1 | I57 D59 V91 S95 A96 Q125 | I57-N93 PolarHBondContact O-ND2 3.17Å; D59-N93 HydrophobicContact CB-CB 4.38Å; D59-N93 PolarHBondContact OD1-N 3.07Å; V91-N93 HydrophobicContact CG1-CB 3.86Å; N93-S95 PolarHBondContact O-N 2.85Å; N93-S95 WeakPolarHBondContact OD1-CA 3.37Å; N93-S95 VanDerWaalsContact OD1-CB 3.32Å; N93-S95 WeakPolarHBondContact OD1-CB 3.24Å; N93-S95 PolarHBondContact OD1-N 2.93Å; N93-A96 WeakPolarHBondContact ND2-CB 3.46Å; N93-A96 CarbonylContact O-C 3.6Å; N93-A96 PolarHBondContact O-N 3Å; N93-A96 PolarHBondContact OD1-N 2.95Å; N93-Q125 VanDerWaalsContact ND2-CD 3.3Å; N93-Q125 PolarHBondContact ND2-NE2 2.97Å; N93-Q125 PolarHBondContact ND2-OE1 2.8Å | ||
| 94 | N | 69.3 | Low | 75.7 | Confident | 157 Ų | 157 | 73 Ų | 73 | 84% | 0.84 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | -19.4 | 172.3 | -67.5 | -54.4 | 0 | 0 | 0 | 114.4 | ||
| 95 | S | 66.9 | Low | 74.7 | Confident | 65 Ų | 65 | 78.6 Ų | 78.6 | 46% | 0.455 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -18.4 | -179.7 | -48.5 | 0 | 0 | 0 | 0 | 113.2 | N93 P97 Q123 | N93-S95 PolarHBondContact O-N 2.85Å; N93-S95 WeakPolarHBondContact OD1-CA 3.37Å; N93-S95 VanDerWaalsContact OD1-CB 3.32Å; N93-S95 WeakPolarHBondContact OD1-CB 3.24Å; N93-S95 PolarHBondContact OD1-N 2.93Å; S95-P97 VanDerWaalsContact C-CD 3.49Å; S95-Q123 PolarHBondContact O-NE2 2.96Å |
| 96 | A | 67.2 | Low | 73.6 | Confident | 5 Ų | 5 | 75.1 Ų | 75.1 | 4% | 0.041 | 40% | 0.396 | C | S | . | . | S | Bend | trans | -130.1 | 65.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | T58 D59 N93 | T58-A96 VanDerWaalsContact CG2-O 3.3Å; T58-A96 WeakPolarHBondContact CG2-O 3.23Å; D59-A96 WeakPolarHBondContact CB-O 3.2Å; D59-A96 PolarHBondContact N-O 3.44Å; N93-A96 WeakPolarHBondContact ND2-CB 3.46Å; N93-A96 CarbonylContact O-C 3.6Å; N93-A96 PolarHBondContact O-N 3Å; N93-A96 PolarHBondContact OD1-N 2.95Å |
| 97 | P | 65.4 | Low | 72.1 | Confident | 11 Ų | 11 | 69.2 Ų | 69.2 | 7% | 0.071 | 37% | 0.368 | C | S | . | . | trans | -63.4 | 138.4 | -174.8 | 24.4 | -34.4 | 0 | 0 | 0 | 113.5 | Q18 S95 S103 D106 E110 | Q18-P97 PolarHBondContact NE2-O 2.94Å; Q18-P97 PolarHBondContact OE1-O 3.42Å; S95-P97 VanDerWaalsContact C-CD 3.49Å; P97-S103 WeakPolarHBondContact CB-OG 3.47Å; P97-D106 HydrophobicContact CB-CB 4.15Å; P97-D106 HydrophobicContact CG-CB 3.92Å; P97-E110 HydrophobicContact CG-CB 4.4Å | ||
| 98 | S | 64.5 | Low | 70.9 | Confident | 0 Ų | 0 | 71.9 Ų | 71.9 | 0% | 0 | 38% | 0.379 | C | S | . | . | trans | -98.6 | 130.9 | 173.7 | -172.3 | 0 | 0 | 0 | 0 | 113.1 | Q18 D59 F100 N101 S103 | Q18-S98 PolarHBondContact O-OG 3.25Å; Q18-S98 VanDerWaalsContact OE1-CA 3.3Å; D59-S98 WeakPolarHBondContact O-CB 3.49Å; S98-F100 PolarHBondContact O-N 3Å; S98-F100 VanDerWaalsContact O-N 3.15Å; S98-F100 PolarHBondContact OG-N 3.07Å; S98-F100 VanDerWaalsContact OG-N 3.13Å; S98-N101 PolarHBondContact O-N 3.23Å; S98-S103 PolarHBondContact O-OG 2.9Å | ||
| 99 | M | 63.5 | Low | 69.9 | Low | 62 Ų | 62 | 65.9 Ų | 65.9 | 31% | 0.305 | 37% | 0.367 | S | S | . | . | G | 310 helix | trans | -55.6 | -28.5 | 167.1 | -64.7 | -165.3 | -52.2 | 0 | 0 | 112.4 | L15 Q18 N101 G102 L104 A107 | L15-M99 HydrophobicContact CD2-CE 3.74Å; Q18-M99 HydrophobicContact CB-CE 4.47Å; Q18-M99 HydrophobicContact CG-CE 4.16Å; Q18-M99 HydrophobicContact CG-CG 4.24Å; M99-N101 VanDerWaalsContact C-N 3.31Å; M99-G102 PolarHBondContact O-N 3.2Å; M99-L104 HydrophobicContact CB-CD1 4.35Å; M99-L104 HydrophobicContact CG-CD1 3.72Å; M99-L104 HydrophobicContact SD-CD1 3.36Å; M99-L104 WeakPolarHBondContact SD-CD1 3.23Å; M99-A107 HydrophobicContact CG-CB 3.56Å |
| 100 | F | 66.9 | Low | 68.8 | Low | 120 Ų | 120 | 64.3 Ų | 64.3 | 53% | 0.526 | 36% | 0.361 | S | S | . | . | G | 310 helix | trans | -76 | -18.4 | -180 | -59.4 | -72 | 0 | 0 | 0 | 113.2 | Q18 S98 | Q18-F100 HydrophobicContact CB-CE2 4.19Å; Q18-F100 VanDerWaalsContact O-CD2 3.23Å; Q18-F100 WeakPolarHBondContact O-CD2 3.49Å; S98-F100 PolarHBondContact O-N 3Å; S98-F100 VanDerWaalsContact O-N 3.15Å; S98-F100 PolarHBondContact OG-N 3.07Å; S98-F100 VanDerWaalsContact OG-N 3.13Å |
| 101 | N | 56.1 | Low | 67.6 | Low | 73 Ų | 73 | 61.6 Ų | 61.6 | 39% | 0.39 | 34% | 0.344 | S | S | . | . | G | 310 helix | trans | -93.4 | 4.1 | 174.1 | -69.1 | 6.9 | 0 | 0 | 0 | 113.2 | D59 G60 S98 M99 | D59-N101 PolarHBondContact O-ND2 3.35Å; D59-N101 PolarHBondContact OD2-ND2 3.44Å; G60-N101 VanDerWaalsContact CA-ND2 3.3Å; G60-N101 WeakPolarHBondContact CA-ND2 3.34Å; G60-N101 PolarHBondContact N-ND2 3.16Å; S98-N101 PolarHBondContact O-N 3.23Å; M99-N101 VanDerWaalsContact C-N 3.31Å |
| 102 | G | 58.6 | Low | 66.7 | Low | 66 Ų | 66 | 68.4 Ų | 68.4 | 68% | 0.68 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.7 | -3.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | M99 L104 | M99-G102 PolarHBondContact O-N 3.2Å; G102-L104 PolarHBondContact O-N 2.64Å; G102-L104 VanDerWaalsContact O-N 3.12Å |
| 103 | S | 60.9 | Low | 66.1 | Low | 28 Ų | 28 | 62.5 Ų | 62.5 | 20% | 0.196 | 35% | 0.351 | C | S | . | . | trans | -86.2 | 40.3 | 178.6 | 52.2 | 0 | 0 | 0 | 0 | 113.5 | P97 S98 K105 D106 A107 | P97-S103 WeakPolarHBondContact CB-OG 3.47Å; S98-S103 PolarHBondContact O-OG 2.9Å; S103-K105 PolarHBondContact O-N 2.93Å; S103-K105 VanDerWaalsContact O-N 3.09Å; S103-D106 PolarHBondContact O-N 3.35Å; S103-A107 PolarHBondContact O-N 2.87Å | ||
| 104 | L | 64.2 | Low | 65.9 | Low | 100 Ų | 100 | 62.3 Ų | 62.3 | 52% | 0.524 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -49.1 | -40.7 | -175.9 | 174.9 | 62.3 | 0 | 0 | 0 | 113.9 | M99 G102 D106 V108 | M99-L104 HydrophobicContact CB-CD1 4.35Å; M99-L104 HydrophobicContact CG-CD1 3.72Å; M99-L104 HydrophobicContact SD-CD1 3.36Å; M99-L104 WeakPolarHBondContact SD-CD1 3.23Å; G102-L104 PolarHBondContact O-N 2.64Å; G102-L104 VanDerWaalsContact O-N 3.12Å; L104-D106 VanDerWaalsContact C-N 3.34Å; L104-D106 PolarHBondContact O-N 2.89Å; L104-V108 HydrophobicContact CD1-CG2 4.39Å; L104-V108 WeakPolarHBondContact O-CG2 3.27Å; L104-V108 PolarHBondContact O-N 2.93Å |
| 105 | K | 71.7 | Confident | 65.9 | Low | 171 Ų | 171 | 58.7 Ų | 58.7 | 74% | 0.743 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -63.4 | -41.2 | 179.6 | -177.8 | -170.8 | 171.5 | -161.6 | 0 | 111.8 | S103 A109 | S103-K105 PolarHBondContact O-N 2.93Å; S103-K105 VanDerWaalsContact O-N 3.09Å; K105-A109 PolarHBondContact O-N 3.47Å; K105-A109 VanDerWaalsContact O-N 3.13Å |
| 106 | D | 67.3 | Low | 66.2 | Low | 84 Ų | 84 | 63.4 Ų | 63.4 | 45% | 0.449 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -82.7 | -34.6 | -172.8 | -52.4 | -51.4 | 0 | 0 | 0 | 110.5 | P97 S103 L104 V108 A109 E110 | P97-D106 HydrophobicContact CB-CB 4.15Å; P97-D106 HydrophobicContact CG-CB 3.92Å; S103-D106 PolarHBondContact O-N 3.35Å; L104-D106 VanDerWaalsContact C-N 3.34Å; L104-D106 PolarHBondContact O-N 2.89Å; D106-V108 VanDerWaalsContact C-N 3.33Å; D106-V108 PolarHBondContact O-N 3.38Å; D106-A109 WeakPolarHBondContact O-CB 3.28Å; D106-A109 PolarHBondContact O-N 3.15Å; D106-A109 VanDerWaalsContact O-N 3.15Å; D106-E110 WeakPolarHBondContact O-CB 3.41Å; D106-E110 PolarHBondContact O-N 2.9Å |
| 107 | A | 60.3 | Low | 66.3 | Low | 2 Ų | 2 | 68.6 Ų | 68.6 | 2% | 0.017 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -57.3 | -41.3 | 167.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q18 M99 S103 T111 | Q18-A107 VanDerWaalsContact OE1-CB 3.25Å; M99-A107 HydrophobicContact CG-CB 3.56Å; S103-A107 PolarHBondContact O-N 2.87Å; A107-T111 PolarHBondContact O-N 3.03Å; A107-T111 VanDerWaalsContact O-N 3.07Å; A107-T111 PolarHBondContact O-OG1 3.48Å; A107-T111 VanDerWaalsContact O-OG1 3.04Å |
| 108 | V | 68.2 | Low | 66.6 | Low | 88 Ų | 88 | 70.4 Ų | 70.4 | 53% | 0.533 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -69.4 | -37 | 174.5 | 172 | 0 | 0 | 0 | 0 | 111.4 | L104 D106 T111 F112 | L104-V108 HydrophobicContact CD1-CG2 4.39Å; L104-V108 WeakPolarHBondContact O-CG2 3.27Å; L104-V108 PolarHBondContact O-N 2.93Å; D106-V108 VanDerWaalsContact C-N 3.33Å; D106-V108 PolarHBondContact O-N 3.38Å; V108-T111 PolarHBondContact O-N 3.17Å; V108-F112 PolarHBondContact O-N 2.82Å; V108-F112 VanDerWaalsContact O-N 3.11Å |
| 109 | A | 70.4 | Confident | 66.8 | Low | 56 Ų | 56 | 70.8 Ų | 70.8 | 46% | 0.463 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -67.5 | -38.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | K105 D106 F112 S113 | K105-A109 PolarHBondContact O-N 3.47Å; K105-A109 VanDerWaalsContact O-N 3.13Å; D106-A109 WeakPolarHBondContact O-CB 3.28Å; D106-A109 PolarHBondContact O-N 3.15Å; D106-A109 VanDerWaalsContact O-N 3.15Å; A109-F112 PolarHBondContact O-N 3.43Å; A109-S113 PolarHBondContact O-N 2.9Å |
| 110 | E | 68.5 | Low | 67.3 | Low | 16 Ų | 16 | 71.8 Ų | 71.8 | 8% | 0.075 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -59.7 | -49.7 | 172.5 | -168.6 | -77.4 | 167.8 | 0 | 0 | 110.1 | P97 D106 F112 S113 R114 | P97-E110 HydrophobicContact CG-CB 4.4Å; D106-E110 WeakPolarHBondContact O-CB 3.41Å; D106-E110 PolarHBondContact O-N 2.9Å; E110-F112 PolarHBondContact O-N 2.9Å; E110-S113 WeakPolarHBondContact O-CA 3.4Å; E110-S113 VanDerWaalsContact O-CB 3.3Å; E110-S113 WeakPolarHBondContact O-CB 3.38Å; E110-S113 PolarHBondContact O-N 2.93Å; E110-S113 PolarHBondContact O-OG 3.1Å; E110-R114 PolarHBondContact O-N 3.34Å; E110-R114 VanDerWaalsContact O-N 3.12Å; E110-R114 IonicContact OE1-CZ 3.57Å; E110-R114 VanDerWaalsContact OE1-CZ 3.24Å; E110-R114 IonicContact OE1-NE 2.8Å; E110-R114 PolarHBondContact OE1-NE 2.83Å; E110-R114 IonicContact OE1-NH2 2.95Å; E110-R114 PolarHBondContact OE1-NH2 3.07Å; E110-R114 IonicContact OE2-CZ 3.46Å; E110-R114 IonicContact OE2-NE 3.61Å; E110-R114 PolarHBondContact OE2-NE 3.2Å; E110-R114 IonicContact OE2-NH2 2.67Å |
| 111 | T | 65.3 | Low | 67.5 | Low | 23 Ų | 23 | 66.8 Ų | 66.8 | 14% | 0.141 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -57.7 | -36.8 | 178.3 | -63.7 | 0 | 0 | 0 | 0 | 111.7 | A107 V108 | A107-T111 PolarHBondContact O-N 3.03Å; A107-T111 VanDerWaalsContact O-N 3.07Å; A107-T111 PolarHBondContact O-OG1 3.48Å; A107-T111 VanDerWaalsContact O-OG1 3.04Å; V108-T111 PolarHBondContact O-N 3.17Å |
| 112 | F | 69.3 | Low | 68.3 | Low | 142 Ų | 142 | 66.8 Ų | 66.8 | 62% | 0.623 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -72.2 | -32.2 | 174 | -171.8 | -98.6 | 0 | 0 | 0 | 112.9 | V108 A109 E110 R114 F115 | V108-F112 PolarHBondContact O-N 2.82Å; V108-F112 VanDerWaalsContact O-N 3.11Å; A109-F112 PolarHBondContact O-N 3.43Å; E110-F112 PolarHBondContact O-N 2.9Å; F112-R114 VanDerWaalsContact C-N 3.34Å; F112-R114 PolarHBondContact O-N 3.34Å; F112-F115 WeakPolarHBondContact O-CB 3.3Å; F112-F115 PolarHBondContact O-N 3.33Å |
| 113 | S | 68.5 | Low | 69.1 | Low | 37 Ų | 37 | 65.7 Ų | 65.7 | 26% | 0.259 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -63.7 | -39.2 | 175.4 | 85.2 | 0 | 0 | 0 | 0 | 111.9 | A109 E110 F115 K116 F117 | A109-S113 PolarHBondContact O-N 2.9Å; E110-S113 WeakPolarHBondContact O-CA 3.4Å; E110-S113 VanDerWaalsContact O-CB 3.3Å; E110-S113 WeakPolarHBondContact O-CB 3.38Å; E110-S113 PolarHBondContact O-N 2.93Å; E110-S113 PolarHBondContact O-OG 3.1Å; S113-F115 PolarHBondContact O-N 2.74Å; S113-K116 VanDerWaalsContact O-CB 3.27Å; S113-K116 WeakPolarHBondContact O-CB 3.33Å; S113-K116 PolarHBondContact O-N 2.87Å; S113-F117 WeakPolarHBondContact O-CD2 3.19Å |
| 114 | R | 70.4 | Confident | 70.2 | Confident | 3 Ų | 3 | 69.2 Ų | 69.2 | 1% | 0.011 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -57.5 | -31.7 | 175.9 | -63.4 | -179.2 | 179.2 | -141.3 | -7.3 | 113.6 | D17 E110 F112 K116 F117 G118 G119 V120 | D17-R114 IonicContact OD2-CZ 2.84Å; D17-R114 IonicContact OD2-NH1 3.59Å; D17-R114 PolarHBondContact OD2-NH1 2.87Å; D17-R114 IonicContact OD2-NH2 3.92Å; D17-R114 PolarHBondContact OD2-NH2 2.91Å; E110-R114 PolarHBondContact O-N 3.34Å; E110-R114 VanDerWaalsContact O-N 3.12Å; E110-R114 IonicContact OE1-CZ 3.57Å; E110-R114 VanDerWaalsContact OE1-CZ 3.24Å; E110-R114 IonicContact OE1-NE 2.8Å; E110-R114 PolarHBondContact OE1-NE 2.83Å; E110-R114 IonicContact OE1-NH2 2.95Å; E110-R114 PolarHBondContact OE1-NH2 3.07Å; E110-R114 IonicContact OE2-CZ 3.46Å; E110-R114 IonicContact OE2-NE 3.61Å; E110-R114 PolarHBondContact OE2-NE 3.2Å; E110-R114 IonicContact OE2-NH2 2.67Å; F112-R114 VanDerWaalsContact C-N 3.34Å; F112-R114 PolarHBondContact O-N 3.34Å; R114-K116 PolarHBondContact O-N 2.89Å; R114-F117 CarbonylContact O-C 3.59Å; R114-F117 WeakPolarHBondContact O-CA 3.37Å; R114-F117 PolarHBondContact O-N 2.82Å; R114-G118 PolarHBondContact O-N 3.04Å; R114-G119 WeakPolarHBondContact O-CA 3.39Å; R114-G119 PolarHBondContact O-N 3.07Å; R114-V120 WeakPolarHBondContact CA-O 3.25Å; R114-V120 WeakPolarHBondContact CB-O 3.41Å |
| 115 | F | 70.1 | Confident | 71.3 | Confident | 81 Ų | 81 | 64.5 Ų | 64.5 | 36% | 0.355 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -58.9 | -33.4 | 176.3 | -176.7 | -101.2 | 0 | 0 | 0 | 111.9 | L3 A7 F112 S113 F117 G118 | L3-F115 HydrophobicContact CD2-CZ 4.08Å; A7-F115 HydrophobicContact CB-CD2 4.4Å; A7-F115 HydrophobicContact CB-CE2 4.1Å; F112-F115 WeakPolarHBondContact O-CB 3.3Å; F112-F115 PolarHBondContact O-N 3.33Å; S113-F115 PolarHBondContact O-N 2.74Å; F115-F117 PolarHBondContact O-N 3.2Å; F115-G118 PolarHBondContact O-N 3.08Å |
| 116 | K | 72.9 | Confident | 72.2 | Confident | 163 Ų | 163 | 57.5 Ų | 57.5 | 71% | 0.709 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -66.2 | -26.9 | 174.2 | -56.2 | 178.7 | -179.2 | 175.9 | 0 | 112.8 | S113 R114 | S113-K116 VanDerWaalsContact O-CB 3.27Å; S113-K116 WeakPolarHBondContact O-CB 3.33Å; S113-K116 PolarHBondContact O-N 2.87Å; R114-K116 PolarHBondContact O-N 2.89Å |
| 117 | F | 69.9 | Low | 73.5 | Confident | 114 Ų | 114 | 53.6 Ų | 53.6 | 50% | 0.5 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | 18.3 | 177.6 | -59.8 | -76.2 | 0 | 0 | 0 | 112.8 | S113 R114 F115 G119 V120 P122 | S113-F117 WeakPolarHBondContact O-CD2 3.19Å; R114-F117 CarbonylContact O-C 3.59Å; R114-F117 WeakPolarHBondContact O-CA 3.37Å; R114-F117 PolarHBondContact O-N 2.82Å; F115-F117 PolarHBondContact O-N 3.2Å; F117-G119 VanDerWaalsContact C-N 3.32Å; F117-G119 PolarHBondContact O-N 2.96Å; F117-V120 HydrophobicContact CB-CG2 4.48Å; F117-V120 WeakPolarHBondContact O-CG2 3.3Å; F117-P122 HydrophobicContact CD1-CB 4.18Å; F117-P122 HydrophobicContact CD2-CB 4.12Å; F117-P122 HydrophobicContact CD2-CG 3.95Å; F117-P122 HydrophobicContact CE1-CB 4.01Å; F117-P122 HydrophobicContact CE2-CB 3.95Å; F117-P122 HydrophobicContact CE2-CG 3.66Å; F117-P122 HydrophobicContact CG-CB 4.24Å; F117-P122 HydrophobicContact CZ-CB 3.88Å; F117-P122 HydrophobicContact CZ-CG 4.02Å |
| 118 | G | 70.3 | Confident | 75.2 | Confident | 49 Ų | 49 | 54.2 Ų | 54.2 | 51% | 0.505 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.2 | 11.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115 | R114 F115 | R114-G118 PolarHBondContact O-N 3.04Å; F115-G118 PolarHBondContact O-N 3.08Å |
| 119 | G | 69.1 | Low | 76.6 | Confident | 8 Ų | 8 | 50 Ų | 50 | 8% | 0.082 | 27% | 0.269 | C | S | . | . | S | Bend | trans | 99.2 | 13.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | R114 F117 | R114-G119 WeakPolarHBondContact O-CA 3.39Å; R114-G119 PolarHBondContact O-N 3.07Å; F117-G119 VanDerWaalsContact C-N 3.32Å; F117-G119 PolarHBondContact O-N 2.96Å |
| 120 | V | 74.3 | Confident | 77.8 | Confident | 84 Ų | 84 | 47.4 Ų | 47.4 | 51% | 0.509 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -111 | 162.6 | 168.2 | -62.7 | 0 | 0 | 0 | 0 | 110.6 | R114 F117 | R114-V120 WeakPolarHBondContact CA-O 3.25Å; R114-V120 WeakPolarHBondContact CB-O 3.41Å; F117-V120 HydrophobicContact CB-CG2 4.48Å; F117-V120 WeakPolarHBondContact O-CG2 3.3Å |
| 121 | T | 72 | Confident | 79.1 | Confident | 14 Ų | 14 | 47 Ų | 47 | 9% | 0.086 | 25% | 0.245 | C | C | . | . | trans | -73.2 | 147.7 | 167.2 | 179.7 | 0 | 0 | 0 | 0 | 111 | T53 V56 Q123 | T53-T121 HydrophobicContact CG2-CG2 4.08Å; V56-T121 HydrophobicContact CG2-CG2 3.37Å; T121-Q123 PolarHBondContact OG1-N 3.38Å; T121-Q123 VanDerWaalsContact OG1-N 3.11Å | ||
| 122 | P | 72.9 | Confident | 80.6 | Confident | 74 Ų | 74 | 47.4 Ų | 47.4 | 48% | 0.481 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -82.3 | -12.5 | 167.9 | 35.1 | -37.2 | 0 | 0 | 0 | 113.7 | F117 | F117-P122 HydrophobicContact CD1-CB 4.18Å; F117-P122 HydrophobicContact CD2-CB 4.12Å; F117-P122 HydrophobicContact CD2-CG 3.95Å; F117-P122 HydrophobicContact CE1-CB 4.01Å; F117-P122 HydrophobicContact CE2-CB 3.95Å; F117-P122 HydrophobicContact CE2-CG 3.66Å; F117-P122 HydrophobicContact CG-CB 4.24Å; F117-P122 HydrophobicContact CZ-CB 3.88Å; F117-P122 HydrophobicContact CZ-CG 4.02Å |
| 123 | Q | 74.7 | Confident | 81.7 | Confident | 43 Ų | 43 | 45.2 Ų | 45.2 | 20% | 0.201 | 24% | 0.238 | C | C | . | . | trans | -80.1 | 157.2 | -178.5 | -69.1 | 164.1 | 18 | 0 | 0 | 111.3 | S95 T121 | S95-Q123 PolarHBondContact O-NE2 2.96Å; T121-Q123 PolarHBondContact OG1-N 3.38Å; T121-Q123 VanDerWaalsContact OG1-N 3.11Å | ||
| 124 | K | 83.7 | Confident | 82.9 | Confident | 102 Ų | 102 | 46.3 Ų | 46.3 | 44% | 0.443 | 24% | 0.239 | S | C | . | . | trans | -144.6 | 92.4 | 171.1 | -169.1 | -164.7 | -179 | -145.1 | 0 | 108.6 | D55 D75 G76 Q126 | D55-K124 HydrophobicContact CB-CG 3.78Å; D55-K124 CarbonylContact O-C 3.56Å; D55-K124 WeakPolarHBondContact O-CA 3.09Å; D55-K124 WeakPolarHBondContact OD2-CE 3.34Å; D55-K124 IonicContact OD2-NZ 3.65Å; D75-K124 WeakPolarHBondContact CA-O 3.17Å; D75-K124 PolarHBondContact OD1-N 2.83Å; G76-K124 PolarHBondContact N-O 3.25Å; K124-Q126 HydrophobicContact CG-CG 4.39Å; K124-Q126 VanDerWaalsContact NZ-CD 3.3Å; K124-Q126 VanDerWaalsContact NZ-NE2 3.13Å | ||
| 125 | Q | 88 | Confident | 84.1 | Confident | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 123.1 | -176.9 | -74.8 | 151.3 | 3 | 0 | 0 | 110.2 | D55 I57 V74 D75 N93 | D55-Q125 CarbonylContact C-O 3.53Å; D55-Q125 WeakPolarHBondContact CA-O 3.23Å; D55-Q125 VanDerWaalsContact CB-O 3.3Å; D55-Q125 WeakPolarHBondContact CB-O 3.25Å; D55-Q125 PolarHBondContact O-N 3.49Å; I57-Q125 HydrophobicContact CB-CB 4.18Å; I57-Q125 HydrophobicContact CD1-CB 4.06Å; I57-Q125 HydrophobicContact CG1-CB 3.94Å; I57-Q125 PolarHBondContact O-OE1 2.84Å; V74-Q125 CarbonylContact O-C 3.24Å; V74-Q125 VanDerWaalsContact O-CA 3.29Å; V74-Q125 WeakPolarHBondContact O-CA 3.2Å; D75-Q125 HydrophobicContact CB-CG 3.74Å; D75-Q125 VanDerWaalsContact CG-CG 3.42Å; D75-Q125 PolarHBondContact OD2-NE2 2.93Å; N93-Q125 VanDerWaalsContact ND2-CD 3.3Å; N93-Q125 PolarHBondContact ND2-NE2 2.97Å; N93-Q125 PolarHBondContact ND2-OE1 2.8Å |
| 126 | Q | 90.9 | Very high | 85.1 | Confident | 23 Ų | 23 | 48.1 Ų | 48.1 | 11% | 0.107 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 136.6 | -177.2 | -55.1 | -168.9 | -77.3 | 0 | 0 | 108.9 | K36 D55 V74 K124 F128 | K36-Q126 VanDerWaalsContact NZ-NE2 3.11Å; D55-Q126 HydrophobicContact CB-CG 4.08Å; D55-Q126 PolarHBondContact OD2-NE2 2.95Å; V74-Q126 PolarHBondContact N-O 3.32Å; V74-Q126 PolarHBondContact O-N 3.19Å; K124-Q126 HydrophobicContact CG-CG 4.39Å; K124-Q126 VanDerWaalsContact NZ-CD 3.3Å; K124-Q126 VanDerWaalsContact NZ-NE2 3.13Å; Q126-F128 HydrophobicContact CB-CD2 4.41Å; Q126-F128 HydrophobicContact CB-CE2 3.69Å; Q126-F128 HydrophobicContact CB-CZ 3.97Å |
| 127 | V | 93.8 | Very high | 85.8 | Confident | 3 Ų | 3 | 42 Ų | 42 | 2% | 0.018 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 134.6 | 168.4 | -173.8 | 0 | 0 | 0 | 0 | 108.2 | I23 K36 G37 I57 I63 M71 L72 L73 Y129 | I23-V127 HydrophobicContact CB-CG2 4.47Å; I23-V127 HydrophobicContact CD1-CG2 3.74Å; I23-V127 HydrophobicContact CG2-CB 4.1Å; I23-V127 HydrophobicContact CG2-CG2 3.92Å; K36-V127 WeakPolarHBondContact CA-O 3.39Å; K36-V127 WeakPolarHBondContact CG-O 3.4Å; G37-V127 PolarHBondContact N-O 3.02Å; I57-V127 HydrophobicContact CD1-CG2 3.53Å; I63-V127 HydrophobicContact CD1-CG1 4.45Å; I63-V127 HydrophobicContact CD1-CG2 3.65Å; I63-V127 HydrophobicContact CG1-CG2 4.27Å; I63-V127 HydrophobicContact CG2-CG1 3.9Å; I63-V127 HydrophobicContact CG2-CG2 4.48Å; M71-V127 HydrophobicContact CG-CG1 3.65Å; M71-V127 HydrophobicContact SD-CG1 3.86Å; L72-V127 CarbonylContact O-C 3.56Å; L72-V127 WeakPolarHBondContact O-CA 2.81Å; L73-V127 HydrophobicContact CD1-CG2 4.21Å; V127-Y129 HydrophobicContact CB-CE2 4.4Å; V127-Y129 HydrophobicContact CG1-CD2 4.17Å; V127-Y129 HydrophobicContact CG1-CE1 4.42Å; V127-Y129 HydrophobicContact CG1-CE2 3.55Å |
| 128 | F | 95.6 | Very high | 86.8 | Confident | 15 Ų | 15 | 37 Ų | 37 | 7% | 0.066 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 149.1 | 167.8 | -62.3 | -78.4 | 0 | 0 | 0 | 110 | M34 K36 M71 L72 V74 Q126 F176 | M34-F128 HydrophobicContact CE-CD1 4.14Å; M34-F128 HydrophobicContact CE-CE1 4.39Å; M34-F128 HydrophobicContact SD-CB 4.38Å; M34-F128 HydrophobicContact SD-CD1 3.57Å; M34-F128 VanDerWaalsContact SD-CD1 3.57Å; M34-F128 HydrophobicContact SD-CE1 4.31Å; M34-F128 HydrophobicContact SD-CG 4.37Å; K36-F128 HydrophobicContact CB-CD1 4.02Å; K36-F128 HydrophobicContact CB-CE1 4.01Å; K36-F128 HydrophobicContact CD-CE1 4.43Å; K36-F128 HydrophobicContact CG-CD1 4.27Å; K36-F128 HydrophobicContact CG-CE1 4.06Å; M71-F128 CarbonylContact C-O 3.54Å; M71-F128 WeakPolarHBondContact CA-O 3.41Å; L72-F128 HydrophobicContact CB-CB 4.46Å; L72-F128 PolarHBondContact N-O 2.85Å; L72-F128 PolarHBondContact O-N 2.9Å; V74-F128 HydrophobicContact CB-CD2 4.23Å; V74-F128 HydrophobicContact CB-CE2 4.16Å; V74-F128 HydrophobicContact CG2-CD2 3.8Å; V74-F128 HydrophobicContact CG2-CE2 4.16Å; Q126-F128 HydrophobicContact CB-CD2 4.41Å; Q126-F128 HydrophobicContact CB-CE2 3.69Å; Q126-F128 HydrophobicContact CB-CZ 3.97Å; F128-F176 HydrophobicContact CB-CE2 4.14Å; F128-F176 HydrophobicContact CD1-CE2 4.49Å; F128-F176 AromaticContact CD2-CE2 3.95Å; F128-F176 HydrophobicContact CD2-CE2 3.95Å; F128-F176 AromaticContact CD2-CZ 3.81Å; F128-F176 HydrophobicContact CD2-CZ 3.81Å; F128-F176 HydrophobicContact CE2-CE2 4.48Å; F128-F176 HydrophobicContact CE2-CZ 4.12Å; F128-F176 AromaticContact CG-CE2 3.94Å; F128-F176 HydrophobicContact CG-CE2 3.94Å; F128-F176 HydrophobicContact CG-CZ 4.28Å |
| 129 | Y | 97.2 | Very high | 87.8 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 124 | 177.6 | -64.3 | -91 | 0 | 0 | 0 | 109 | I23 E24 P25 M34 S35 I63 H64 M70 M71 V127 | I23-Y129 PolarHBondContact O-OH 2.95Å; E24-Y129 WeakPolarHBondContact CA-OH 3.45Å; P25-Y129 VanDerWaalsContact CA-CE2 3.46Å; P25-Y129 HydrophobicContact CB-CD1 4.31Å; P25-Y129 HydrophobicContact CB-CD2 3.58Å; P25-Y129 HydrophobicContact CB-CE2 3.89Å; P25-Y129 HydrophobicContact CB-CG 3.78Å; P25-Y129 VanDerWaalsContact CD-CZ 3.5Å; P25-Y129 HydrophobicContact CG-CD1 4.47Å; P25-Y129 HydrophobicContact CG-CD2 4.45Å; P25-Y129 HydrophobicContact CG-CE1 4.49Å; P25-Y129 HydrophobicContact CG-CE2 4.46Å; P25-Y129 HydrophobicContact CG-CG 4.42Å; P25-Y129 VanDerWaalsContact N-CE2 3.33Å; M34-Y129 VanDerWaalsContact CA-O 3.24Å; M34-Y129 WeakPolarHBondContact CA-O 3.35Å; S35-Y129 PolarHBondContact N-O 2.86Å; S35-Y129 PolarHBondContact O-N 2.88Å; I63-Y129 HydrophobicContact CG2-CE1 4.32Å; I63-Y129 WeakPolarHBondContact CG2-OH 3.23Å; H64-Y129 VanDerWaalsContact O-CE1 3.24Å; H64-Y129 WeakPolarHBondContact O-CE1 3.35Å; H64-Y129 PolarHBondContact O-OH 3Å; M70-Y129 CarbonylContact O-C 3.56Å; M70-Y129 WeakPolarHBondContact O-CA 3.2Å; M71-Y129 HydrophobicContact CB-CD1 4.22Å; M71-Y129 HydrophobicContact CB-CE1 4.06Å; M71-Y129 HydrophobicContact CG-CD1 4.4Å; M71-Y129 HydrophobicContact CG-CE1 3.9Å; V127-Y129 HydrophobicContact CB-CE2 4.4Å; V127-Y129 HydrophobicContact CG1-CD2 4.17Å; V127-Y129 HydrophobicContact CG1-CE1 4.42Å; V127-Y129 HydrophobicContact CG1-CE2 3.55Å |
| 130 | I | 96.7 | Very high | 88.9 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 131.7 | 173.4 | -49.2 | -59.1 | 0 | 0 | 0 | 108.7 | M34 M69 M70 L72 L132 V169 P172 F175 F176 | M34-I130 HydrophobicContact CB-CD1 4.02Å; M34-I130 HydrophobicContact CG-CD1 3.64Å; M69-I130 WeakPolarHBondContact CA-O 3.45Å; M70-I130 HydrophobicContact CB-CB 4.46Å; M70-I130 PolarHBondContact N-O 3.2Å; M70-I130 PolarHBondContact O-N 2.91Å; L72-I130 HydrophobicContact CD1-CD1 4.12Å; L72-I130 HydrophobicContact CD1-CG1 3.8Å; L72-I130 HydrophobicContact CG-CG1 4.29Å; I130-L132 PolarHBondContact O-N 3.44Å; I130-V169 HydrophobicContact CG2-CB 4.45Å; I130-V169 HydrophobicContact CG2-CG1 4.03Å; I130-V169 HydrophobicContact CG2-CG2 4.24Å; I130-P172 HydrophobicContact CB-CB 4.09Å; I130-P172 HydrophobicContact CG1-CB 4.23Å; I130-P172 HydrophobicContact CG2-CB 3.97Å; I130-F175 HydrophobicContact CG2-CD1 3.92Å; I130-F175 HydrophobicContact CG2-CE1 4.31Å; I130-F176 HydrophobicContact CD1-CB 4.14Å; I130-F176 HydrophobicContact CD1-CD2 3.9Å; I130-F176 HydrophobicContact CD1-CG 4.45Å |
| 131 | N | 96.2 | Very high | 89.6 | Confident | 9 Ų | 9 | 33.6 Ų | 33.6 | 5% | 0.048 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 120.5 | 176.5 | -168.8 | -5.6 | 0 | 0 | 0 | 110.2 | M28 T32 V33 Q133 V169 | M28-N131 HydrophobicContact CE-CB 3.98Å; T32-N131 WeakPolarHBondContact O-CB 3.41Å; T32-N131 PolarHBondContact O-ND2 3.11Å; V33-N131 PolarHBondContact O-N 3.3Å; N131-Q133 VanDerWaalsContact OD1-CB 3.29Å; N131-Q133 WeakPolarHBondContact OD1-CB 3.47Å; N131-Q133 PolarHBondContact OD1-N 3.12Å; N131-V169 WeakPolarHBondContact O-CG2 3.46Å |
| 132 | L | 95.3 | Very high | 90.5 | Very high | 31 Ų | 31 | 33 Ų | 33 | 16% | 0.162 | 17% | 0.167 | C | C | . | . | trans | -99.8 | -1.4 | 176.4 | -45.6 | -179.1 | 0 | 0 | 0 | 112.4 | N68 M70 A84 I130 K168 P172 | N68-L132 HydrophobicContact CB-CB 4.39Å; N68-L132 WeakPolarHBondContact O-CA 3.36Å; N68-L132 VanDerWaalsContact O-CB 3.25Å; N68-L132 WeakPolarHBondContact O-CB 3.35Å; N68-L132 PolarHBondContact O-N 3.23Å; M70-L132 HydrophobicContact CB-CD1 4.1Å; M70-L132 HydrophobicContact CB-CD2 3.97Å; M70-L132 HydrophobicContact CB-CG 4.28Å; A84-L132 HydrophobicContact CB-CD1 4.19Å; I130-L132 PolarHBondContact O-N 3.44Å; L132-K168 WeakPolarHBondContact O-CE 3.4Å; L132-P172 HydrophobicContact CD2-CB 4.07Å; L132-P172 HydrophobicContact CD2-CG 3.33Å | ||
| 133 | Q | 93.4 | Very high | 90.9 | Very high | 96 Ų | 96 | 32.1 Ų | 32.1 | 45% | 0.449 | 16% | 0.163 | S | C | . | . | S | Bend | trans | -70.3 | 159.3 | 172.2 | -59.8 | -167.9 | -6.9 | 0 | 0 | 110.6 | N68 N131 I135 | N68-Q133 HydrophobicContact CB-CG 3.4Å; N68-Q133 VanDerWaalsContact CB-CG 3.4Å; N131-Q133 VanDerWaalsContact OD1-CB 3.29Å; N131-Q133 WeakPolarHBondContact OD1-CB 3.47Å; N131-Q133 PolarHBondContact OD1-N 3.12Å; Q133-I135 PolarHBondContact O-N 2.67Å |
| 134 | E | 94.1 | Very high | 91.3 | Very high | 59 Ų | 59 | 34.7 Ų | 34.7 | 28% | 0.276 | 18% | 0.182 | S | C | . | . | trans | -67.8 | 116.4 | 170.6 | -176.4 | -166.3 | 163.5 | 0 | 0 | 109.5 | K136 S166 I167 V249 | E134-K136 HydrophobicContact CG-CG 4.12Å; E134-K136 PolarHBondContact O-N 3.32Å; E134-K136 WeakPolarHBondContact OE1-CE 3.33Å; E134-K136 IonicContact OE1-NZ 2.82Å; E134-K136 WeakPolarHBondContact OE2-CE 3.3Å; E134-K136 IonicContact OE2-NZ 3.4Å; E134-K136 PolarHBondContact OE2-NZ 2.91Å; E134-S166 WeakPolarHBondContact OE1-CB 3.45Å; E134-S166 PolarHBondContact OE1-OG 3.21Å; E134-I167 CarbonylContact C-O 3.4Å; E134-I167 WeakPolarHBondContact CA-O 3.16Å; E134-V249 HydrophobicContact CG-CB 4.05Å; E134-V249 HydrophobicContact CG-CG1 4.01Å; E134-V249 HydrophobicContact CG-CG2 4.18Å | ||
| 135 | I | 94.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 111.4 | -178.4 | -55 | -177.1 | 0 | 0 | 0 | 107.8 | V33 Q133 I138 S166 I167 I189 | V33-I135 HydrophobicContact CB-CD1 4.26Å; V33-I135 HydrophobicContact CG1-CD1 3.46Å; V33-I135 VanDerWaalsContact CG1-CD1 3.46Å; Q133-I135 PolarHBondContact O-N 2.67Å; I135-I138 HydrophobicContact CG2-CD1 4.28Å; I135-I138 HydrophobicContact CG2-CG1 4.49Å; I135-S166 WeakPolarHBondContact O-CA 3.47Å; I135-S166 VanDerWaalsContact O-CB 3.25Å; I135-S166 WeakPolarHBondContact O-CB 3.29Å; I135-I167 HydrophobicContact CB-CG1 3.95Å; I135-I167 HydrophobicContact CD1-CG1 4.39Å; I135-I167 HydrophobicContact CG1-CG1 4.47Å; I135-I167 PolarHBondContact N-O 3.26Å; I135-I167 PolarHBondContact O-N 3.05Å; I135-I167 VanDerWaalsContact O-N 3.12Å; I135-I189 HydrophobicContact CG2-CB 4.36Å; I135-I189 HydrophobicContact CG2-CG2 4.31Å |
| 136 | K | 91.2 | Very high | 91.7 | Very high | 123 Ų | 123 | 33.1 Ų | 33.1 | 54% | 0.535 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 154.1 | -164.6 | -73.6 | 172.9 | -179 | -178.7 | 0 | 113.2 | E134 | E134-K136 HydrophobicContact CG-CG 4.12Å; E134-K136 PolarHBondContact O-N 3.32Å; E134-K136 WeakPolarHBondContact OE1-CE 3.33Å; E134-K136 IonicContact OE1-NZ 2.82Å; E134-K136 WeakPolarHBondContact OE2-CE 3.3Å; E134-K136 IonicContact OE2-NZ 3.4Å; E134-K136 PolarHBondContact OE2-NZ 2.91Å |
| 137 | G | 87.2 | Confident | 91.7 | Very high | 34 Ų | 34 | 34.3 Ų | 34.3 | 35% | 0.351 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 78.4 | 20.1 | 168.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | K139 Y165 | G137-K139 WeakPolarHBondContact O-CG 3.32Å; G137-K139 PolarHBondContact O-N 2.79Å; G137-Y165 PolarHBondContact N-O 2.84Å |
| 138 | I | 92.5 | Very high | 91.7 | Very high | 9 Ų | 9 | 34.2 Ų | 34.2 | 5% | 0.046 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 119.2 | 174.2 | -52.4 | 164.1 | 0 | 0 | 0 | 107.1 | I135 T164 Y165 I167 I189 | I135-I138 HydrophobicContact CG2-CD1 4.28Å; I135-I138 HydrophobicContact CG2-CG1 4.49Å; I138-T164 CarbonylContact O-C 3.53Å; I138-T164 WeakPolarHBondContact O-CA 3.44Å; I138-Y165 HydrophobicContact CB-CD1 4.24Å; I138-Y165 HydrophobicContact CB-CD2 4.21Å; I138-Y165 HydrophobicContact CB-CE1 4.06Å; I138-Y165 HydrophobicContact CB-CE2 4.02Å; I138-Y165 HydrophobicContact CB-CG 4.33Å; I138-Y165 HydrophobicContact CD1-CD2 4.15Å; I138-Y165 HydrophobicContact CD1-CE2 3.86Å; I138-Y165 HydrophobicContact CG2-CD1 4.3Å; I138-Y165 HydrophobicContact CG2-CE1 3.62Å; I138-Y165 HydrophobicContact CG2-CE2 3.86Å; I138-Y165 WeakPolarHBondContact CG2-OH 3.25Å; I138-Y165 PolarHBondContact N-O 3.34Å; I138-Y165 VanDerWaalsContact N-O 3.12Å; I138-Y165 WeakPolarHBondContact O-CD1 3.31Å; I138-Y165 PolarHBondContact O-N 3.23Å; I138-I167 HydrophobicContact CD1-CB 4.35Å; I138-I167 HydrophobicContact CD1-CD1 4.08Å; I138-I167 HydrophobicContact CD1-CG1 3.8Å; I138-I167 HydrophobicContact CD1-CG2 3.92Å; I138-I189 HydrophobicContact CD1-CG1 3.83Å; I138-I189 HydrophobicContact CG1-CG1 4.11Å; I138-I189 HydrophobicContact CG1-CG2 4.22Å |
| 139 | K | 89.7 | Confident | 91.6 | Very high | 66 Ų | 66 | 37.3 Ų | 37.3 | 29% | 0.287 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 144.4 | -170.1 | -60.8 | -173 | -176.5 | 82.8 | 0 | 111 | G137 G163 T164 Y458 F459 | G137-K139 WeakPolarHBondContact O-CG 3.32Å; G137-K139 PolarHBondContact O-N 2.79Å; K139-G163 WeakPolarHBondContact CA-O 3.35Å; K139-T164 HydrophobicContact CG-CG2 3.96Å; K139-Y458 HydrophobicContact CD-CD1 3.94Å; K139-Y458 HydrophobicContact CD-CE1 3.53Å; K139-Y458 PolarHBondContact NZ-OH 3.06Å; K139-F459 HydrophobicContact CB-CD1 4.39Å; K139-F459 HydrophobicContact CD-CE1 4.46Å |
| 140 | F | 92.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 156 | 170 | 78.1 | -87.9 | 0 | 0 | 0 | 110.9 | A161 H162 G163 Y165 L197 F200 L201 L204 V251 V253 F459 | F140-A161 HydrophobicContact CE2-CB 4.43Å; F140-H162 VanDerWaalsContact O-CA 3.31Å; F140-H162 WeakPolarHBondContact O-CA 3.49Å; F140-H162 WeakPolarHBondContact O-CB 3.03Å; F140-G163 VanDerWaalsContact CE1-C 3.49Å; F140-G163 PolarHBondContact N-O 3.1Å; F140-G163 PolarHBondContact O-N 3.35Å; F140-Y165 HydrophobicContact CB-CD1 4.33Å; F140-Y165 HydrophobicContact CB-CE1 4.25Å; F140-Y165 HydrophobicContact CD1-CD1 4.03Å; F140-L197 HydrophobicContact CB-CD1 3.73Å; F140-F200 HydrophobicContact CB-CD1 3.98Å; F140-F200 HydrophobicContact CB-CE1 3.64Å; F140-F200 HydrophobicContact CB-CZ 4.46Å; F140-F200 AromaticContact CD1-CE1 3.64Å; F140-F200 HydrophobicContact CD1-CE1 3.64Å; F140-F200 AromaticContact CD1-CZ 3.73Å; F140-F200 HydrophobicContact CD1-CZ 3.73Å; F140-F200 AromaticContact CD2-CE1 3.66Å; F140-F200 HydrophobicContact CD2-CE1 3.66Å; F140-F200 HydrophobicContact CD2-CZ 4.44Å; F140-F200 HydrophobicContact CE1-CE1 4.15Å; F140-F200 AromaticContact CE1-CZ 3.99Å; F140-F200 HydrophobicContact CE1-CZ 3.99Å; F140-F200 HydrophobicContact CE2-CE1 4.19Å; F140-F200 HydrophobicContact CG-CD1 4.18Å; F140-F200 AromaticContact CG-CE1 3.35Å; F140-F200 HydrophobicContact CG-CE1 3.35Å; F140-F200 AromaticContact CG-CZ 3.96Å; F140-F200 HydrophobicContact CG-CZ 3.96Å; F140-F200 HydrophobicContact CZ-CE1 4.4Å; F140-F200 HydrophobicContact CZ-CZ 4.47Å; F140-L201 HydrophobicContact CD2-CD2 4.24Å; F140-L204 HydrophobicContact CD2-CD2 3.97Å; F140-L204 HydrophobicContact CE2-CD2 3.56Å; F140-L204 HydrophobicContact CZ-CD2 4.37Å; F140-V251 HydrophobicContact CE1-CG1 4.19Å; F140-V251 HydrophobicContact CZ-CG1 4.41Å; F140-V253 HydrophobicContact CZ-CG2 4.29Å; F140-F459 CarbonylContact C-O 3.34Å |
| 141 | G | 90.2 | Very high | 91 | Very high | 3 Ų | 3 | 41.5 Ų | 41.5 | 3% | 0.031 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.5 | 137.8 | 166.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | S143 A161 F459 C460 | G141-S143 PolarHBondContact O-N 2.9Å; G141-A161 CarbonylContact C-O 3.59Å; G141-A161 WeakPolarHBondContact CA-O 3.42Å; G141-F459 PolarHBondContact N-O 3.47Å; G141-C460 WeakPolarHBondContact O-CB 3.12Å |
| 142 | T | 90.4 | Very high | 90.6 | Very high | 2 Ų | 2 | 45.7 Ų | 45.7 | 1% | 0.012 | 24% | 0.242 | C | C | . | . | trans | -65.2 | 118.4 | 178.8 | 57.2 | 0 | 0 | 0 | 0 | 109.9 | T144 L146 A161 L201 L204 S441 C442 | T142-T144 WeakPolarHBondContact CB-O 3.43Å; T142-L146 HydrophobicContact CG2-CD1 3.78Å; T142-L146 HydrophobicContact CG2-CD2 4.15Å; T142-L146 HydrophobicContact CG2-CG 3.78Å; T142-A161 HydrophobicContact CG2-CB 3.98Å; T142-A161 PolarHBondContact N-O 2.68Å; T142-A161 PolarHBondContact OG1-N 3.09Å; T142-A161 PolarHBondContact OG1-O 3.49Å; T142-L201 HydrophobicContact CG2-CD2 4.38Å; T142-L204 HydrophobicContact CG2-CD2 4.42Å; T142-S441 CarbonylContact O-C 3.6Å; T142-S441 VanDerWaalsContact O-O 3.08Å; T142-C442 WeakPolarHBondContact O-CA 3.11Å; T142-C442 WeakPolarHBondContact O-CB 3.23Å; T142-C442 PolarHBondContact O-N 3.4Å | ||
| 143 | S | 80.5 | Confident | 90.1 | Very high | 56 Ų | 56 | 45 Ų | 45 | 39% | 0.392 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -75.2 | -38.2 | 174.7 | 51.7 | 0 | 0 | 0 | 0 | 111.5 | G141 S441 | G141-S143 PolarHBondContact O-N 2.9Å; S143-S441 WeakPolarHBondContact O-CB 3.31Å |
| 144 | T | 84.7 | Confident | 89.8 | Confident | 96 Ų | 96 | 46 Ų | 46 | 59% | 0.589 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -109 | 146.6 | 170.9 | 49.6 | 0 | 0 | 0 | 0 | 110.6 | T142 | T142-T144 WeakPolarHBondContact CB-O 3.43Š|
| 145 | P | 88.7 | Confident | 89.6 | Confident | 59 Ų | 59 | 44.5 Ų | 44.5 | 38% | 0.383 | 24% | 0.244 | S | C | . | . | P | Polyproline II helix | trans | -63.9 | 138.2 | 175.7 | -23.2 | 34.6 | 0 | 0 | 0 | 113 | F158 L159 T259 | P145-F158 HydrophobicContact CB-CB 4.05Å; P145-L159 CarbonylContact C-O 3.57Å; P145-L159 WeakPolarHBondContact CA-O 3.42Å; P145-T259 HydrophobicContact CB-CG2 3.87Å; P145-T259 HydrophobicContact CG-CG2 3.85Å |
| 146 | L | 91.1 | Very high | 89.4 | Confident | 11 Ų | 11 | 49.7 Ų | 49.7 | 6% | 0.058 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 135.8 | 173.7 | -54.8 | 178.8 | 0 | 0 | 0 | 109.8 | T142 F158 L159 L204 Q205 I208 | T142-L146 HydrophobicContact CG2-CD1 3.78Å; T142-L146 HydrophobicContact CG2-CD2 4.15Å; T142-L146 HydrophobicContact CG2-CG 3.78Å; L146-F158 CarbonylContact O-C 3.09Å; L146-F158 WeakPolarHBondContact O-CA 3.48Å; L146-L159 HydrophobicContact CB-CB 4.46Å; L146-L159 PolarHBondContact N-O 2.76Å; L146-L159 PolarHBondContact O-N 2.74Å; L146-L204 HydrophobicContact CD1-CD2 4.3Å; L146-L204 HydrophobicContact CD1-CG 4.3Å; L146-Q205 HydrophobicContact CD2-CB 4.01Å; L146-Q205 HydrophobicContact CD2-CG 4.16Å; L146-I208 HydrophobicContact CD1-CG1 4.27Å |
| 147 | N | 91.2 | Very high | 89.4 | Confident | 49 Ų | 49 | 43.9 Ų | 43.9 | 26% | 0.262 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 139.8 | 170.8 | -166.9 | -19.3 | 0 | 0 | 0 | 109.8 | E156 F158 N209 | N147-E156 PolarHBondContact ND2-OE2 2.79Å; N147-F158 HydrophobicContact CB-CD1 4.32Å; N147-F158 HydrophobicContact CB-CE1 4.03Å; N147-N209 PolarHBondContact O-OD1 2.83Å |
| 148 | Y | 93.7 | Very high | 89.7 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 114.7 | 174.9 | -170 | -91.4 | 0 | 0 | 0 | 109.9 | D150 L157 L159 I208 M211 Q216 I218 V221 | Y148-D150 HydrophobicContact CD1-CB 3.97Å; Y148-D150 HydrophobicContact CE1-CB 4.03Å; Y148-D150 PolarHBondContact O-N 3.32Å; Y148-L157 PolarHBondContact N-O 3.46Å; Y148-L157 PolarHBondContact O-N 2.98Å; Y148-L159 VanDerWaalsContact CB-CD1 3.48Å; Y148-L159 HydrophobicContact CD2-CD1 4.3Å; Y148-L159 HydrophobicContact CG-CD1 3.97Å; Y148-I208 HydrophobicContact CD2-CG2 3.58Å; Y148-I208 HydrophobicContact CE2-CG2 4.21Å; Y148-I208 VanDerWaalsContact CE2-O 3.3Å; Y148-I208 WeakPolarHBondContact CE2-O 3.41Å; Y148-M211 HydrophobicContact CE2-CB 4.34Å; Y148-Q216 PolarHBondContact OH-O 3.18Å; Y148-I218 HydrophobicContact CD1-CB 3.87Å; Y148-I218 HydrophobicContact CD1-CD1 4.15Å; Y148-I218 HydrophobicContact CD1-CG1 4.24Å; Y148-I218 HydrophobicContact CD2-CD1 4.28Å; Y148-I218 HydrophobicContact CE1-CB 3.64Å; Y148-I218 HydrophobicContact CE1-CD1 4.16Å; Y148-I218 HydrophobicContact CE1-CG1 4.33Å; Y148-I218 HydrophobicContact CE2-CD1 4.26Å; Y148-I218 HydrophobicContact CG-CD1 4.19Å; Y148-V221 HydrophobicContact CE2-CG2 4.41Å |
| 149 | F | 93.5 | Very high | 89.6 | Confident | 80 Ų | 80 | 45.9 Ų | 45.9 | 35% | 0.351 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 112.7 | 170.6 | -176.4 | -102 | 0 | 0 | 0 | 109.2 | N151 E156 S212 | F149-N151 WeakPolarHBondContact CE1-OD1 3.39Å; F149-E156 HydrophobicContact CD2-CG 4.16Å; F149-S212 PolarHBondContact N-OG 3.38Å; F149-S212 PolarHBondContact O-OG 2.83Å |
| 150 | D | 91.8 | Very high | 89.5 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 121.7 | 179.1 | -172.8 | -68.9 | 0 | 0 | 0 | 110.1 | Y148 F152 Y153 N154 A155 L157 R217 I218 | Y148-D150 HydrophobicContact CD1-CB 3.97Å; Y148-D150 HydrophobicContact CE1-CB 4.03Å; Y148-D150 PolarHBondContact O-N 3.32Å; D150-F152 PolarHBondContact O-N 2.97Å; D150-F152 VanDerWaalsContact OD1-CA 3.23Å; D150-F152 WeakPolarHBondContact OD1-CA 3.3Å; D150-F152 WeakPolarHBondContact OD1-CB 3.39Å; D150-F152 PolarHBondContact OD1-N 3.46Å; D150-Y153 HydrophobicContact CB-CD2 4.06Å; D150-Y153 CarbonylContact O-C 3.45Å; D150-Y153 WeakPolarHBondContact O-CA 3.44Å; D150-Y153 PolarHBondContact O-N 3.12Å; D150-Y153 VanDerWaalsContact O-N 3.15Å; D150-Y153 WeakPolarHBondContact OD1-CD2 3.38Å; D150-Y153 PolarHBondContact OD1-N 2.93Å; D150-N154 WeakPolarHBondContact O-CA 3.46Å; D150-N154 PolarHBondContact O-N 3.12Å; D150-A155 PolarHBondContact N-O 2.81Å; D150-A155 VanDerWaalsContact N-O 3.1Å; D150-L157 HydrophobicContact CB-CD1 3.87Å; D150-R217 WeakPolarHBondContact OD2-CA 3.27Å; D150-R217 WeakPolarHBondContact OD2-CG 3.35Å; D150-I218 WeakPolarHBondContact OD2-CB 3.49Å; D150-I218 VanDerWaalsContact OD2-CG2 3.26Å; D150-I218 WeakPolarHBondContact OD2-CG2 3.37Å; D150-I218 PolarHBondContact OD2-N 2.9Å |
| 151 | N | 88.7 | Confident | 89.5 | Confident | 88 Ų | 88 | 45 Ų | 45 | 47% | 0.471 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -31.7 | 179.3 | -77.9 | -38.9 | 0 | 0 | 0 | 113.6 | F149 N154 G215 | F149-N151 WeakPolarHBondContact CE1-OD1 3.39Å; N151-N154 PolarHBondContact O-N 3.03Å; N151-G215 VanDerWaalsContact ND2-CA 3.32Å; N151-G215 WeakPolarHBondContact ND2-CA 3.41Å |
| 152 | F | 86.9 | Confident | 89.4 | Confident | 98 Ų | 98 | 45.6 Ų | 45.6 | 43% | 0.43 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -44.2 | 170.2 | 177.6 | -87.5 | 0 | 0 | 0 | 109.4 | D150 R217 R269 | D150-F152 PolarHBondContact O-N 2.97Å; D150-F152 VanDerWaalsContact OD1-CA 3.23Å; D150-F152 WeakPolarHBondContact OD1-CA 3.3Å; D150-F152 WeakPolarHBondContact OD1-CB 3.39Å; D150-F152 PolarHBondContact OD1-N 3.46Å; F152-R217 HydrophobicContact CB-CG 3.95Å; F152-R217 VanDerWaalsContact CE1-NH2 3.31Å; F152-R269 PolarHBondContact O-NH1 3.02Å; F152-R269 PolarHBondContact O-NH2 2.79Å |
| 153 | Y | 86.5 | Confident | 89.5 | Confident | 16 Ų | 16 | 45.6 Ų | 45.6 | 6% | 0.063 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -45.3 | -48.8 | 163.7 | 29.7 | -142.3 | 0 | 0 | 0 | 115.5 | D150 A155 L157 R217 I218 I266 R269 | D150-Y153 HydrophobicContact CB-CD2 4.06Å; D150-Y153 CarbonylContact O-C 3.45Å; D150-Y153 WeakPolarHBondContact O-CA 3.44Å; D150-Y153 PolarHBondContact O-N 3.12Å; D150-Y153 VanDerWaalsContact O-N 3.15Å; D150-Y153 WeakPolarHBondContact OD1-CD2 3.38Å; D150-Y153 PolarHBondContact OD1-N 2.93Å; Y153-A155 PolarHBondContact O-N 3.45Å; Y153-L157 HydrophobicContact CD2-CD1 3.88Å; Y153-L157 HydrophobicContact CE2-CD1 4.26Å; Y153-R217 PolarHBondContact OH-NH2 3.45Å; Y153-I218 HydrophobicContact CE2-CG2 4.29Å; Y153-I266 HydrophobicContact CD1-CG1 4.36Å; Y153-I266 HydrophobicContact CE1-CB 4.34Å; Y153-I266 HydrophobicContact CE1-CG1 4.14Å; Y153-I266 HydrophobicContact CE1-CG2 3.84Å; Y153-I266 HydrophobicContact CE2-CG1 4.47Å; Y153-R269 WeakPolarHBondContact O-CD 3.24Å; Y153-R269 PolarHBondContact O-NE 3.42Å; Y153-R269 PolarHBondContact O-NH2 3.38Å; Y153-R269 VanDerWaalsContact O-NH2 3.09Å |
| 154 | N | 86.7 | Confident | 90.1 | Very high | 117 Ų | 117 | 45 Ų | 45 | 63% | 0.626 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 42 | 43.8 | -153.3 | -165.7 | 68.9 | 0 | 0 | 0 | 112.3 | D150 N151 | D150-N154 WeakPolarHBondContact O-CA 3.46Å; D150-N154 PolarHBondContact O-N 3.12Å; N151-N154 PolarHBondContact O-N 3.03Å |
| 155 | A | 88.6 | Confident | 90.4 | Very high | 28 Ų | 28 | 40.6 Ų | 40.6 | 23% | 0.231 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 151.4 | -174.5 | 0 | 0 | 0 | 0 | 0 | 111 | D150 Y153 | D150-A155 PolarHBondContact N-O 2.81Å; D150-A155 VanDerWaalsContact N-O 3.1Å; Y153-A155 PolarHBondContact O-N 3.45Å |
| 156 | E | 91.6 | Very high | 90.7 | Very high | 108 Ų | 108 | 37.9 Ų | 37.9 | 51% | 0.505 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 122.9 | 166.4 | -69.5 | 179.9 | -149.5 | 0 | 0 | 109.5 | N147 F149 | N147-E156 PolarHBondContact ND2-OE2 2.79Å; F149-E156 HydrophobicContact CD2-CG 4.16Å |
| 157 | L | 92 | Very high | 90.8 | Very high | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 133.3 | 175.5 | -60.4 | 177.4 | 0 | 0 | 0 | 108.7 | Y148 D150 Y153 L159 I218 Y258 I266 | Y148-L157 PolarHBondContact N-O 3.46Å; Y148-L157 PolarHBondContact O-N 2.98Å; D150-L157 HydrophobicContact CB-CD1 3.87Å; Y153-L157 HydrophobicContact CD2-CD1 3.88Å; Y153-L157 HydrophobicContact CE2-CD1 4.26Å; L157-L159 HydrophobicContact CB-CD2 4.32Å; L157-I218 HydrophobicContact CD1-CG2 4Å; L157-Y258 HydrophobicContact CD1-CE1 4.29Å; L157-I266 HydrophobicContact CD1-CD1 4.1Å; L157-I266 HydrophobicContact CD1-CG1 4.31Å; L157-I266 HydrophobicContact CD2-CD1 4.09Å; L157-I266 HydrophobicContact CD2-CG1 3.88Å |
| 158 | F | 92.3 | Very high | 91 | Very high | 83 Ų | 83 | 39.3 Ų | 39.3 | 36% | 0.364 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 127.7 | 175 | -63.3 | -89.2 | 0 | 0 | 0 | 109.7 | P145 L146 N147 T259 S262 | P145-F158 HydrophobicContact CB-CB 4.05Å; L146-F158 CarbonylContact O-C 3.09Å; L146-F158 WeakPolarHBondContact O-CA 3.48Å; N147-F158 HydrophobicContact CB-CD1 4.32Å; N147-F158 HydrophobicContact CB-CE1 4.03Å; F158-T259 HydrophobicContact CB-CG2 3.6Å; F158-T259 PolarHBondContact O-N 2.99Å; F158-S262 PolarHBondContact N-OG 3.35Å; F158-S262 PolarHBondContact O-OG 3.13Å |
| 159 | L | 89.8 | Confident | 91.1 | Very high | 2 Ų | 2 | 39.5 Ų | 39.5 | 1% | 0.01 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 147.1 | -167.8 | -52.1 | 176.1 | 0 | 0 | 0 | 111.2 | P145 L146 Y148 L157 I218 I256 S257 Y258 | P145-L159 CarbonylContact C-O 3.57Å; P145-L159 WeakPolarHBondContact CA-O 3.42Å; L146-L159 HydrophobicContact CB-CB 4.46Å; L146-L159 PolarHBondContact N-O 2.76Å; L146-L159 PolarHBondContact O-N 2.74Å; Y148-L159 VanDerWaalsContact CB-CD1 3.48Å; Y148-L159 HydrophobicContact CD2-CD1 4.3Å; Y148-L159 HydrophobicContact CG-CD1 3.97Å; L157-L159 HydrophobicContact CB-CD2 4.32Å; L159-I218 HydrophobicContact CD1-CD1 3.39Å; L159-I218 HydrophobicContact CD1-CG1 3.92Å; L159-I218 HydrophobicContact CD2-CD1 4.31Å; L159-I218 HydrophobicContact CD2-CG1 3.93Å; L159-I218 HydrophobicContact CG-CD1 4.49Å; L159-I256 HydrophobicContact CB-CG2 4.19Å; L159-I256 HydrophobicContact CD1-CG2 4.21Å; L159-I256 HydrophobicContact CD2-CG2 4.27Å; L159-I256 HydrophobicContact CG-CG2 4.47Å; L159-S257 CarbonylContact C-O 3.21Å; L159-S257 WeakPolarHBondContact CA-O 3.4Å; L159-Y258 HydrophobicContact CD2-CD1 3.49Å; L159-Y258 VanDerWaalsContact CD2-CD1 3.49Å; L159-Y258 HydrophobicContact CD2-CE1 3.67Å |
| 160 | R | 89.4 | Confident | 91.2 | Very high | 43 Ų | 43 | 38.7 Ų | 38.7 | 16% | 0.162 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 129.9 | 169.8 | -54.8 | 174.4 | 173.8 | 122.8 | -12.4 | 107.6 | I256 S257 Y258 D260 P440 S441 | R160-I256 WeakPolarHBondContact O-CA 3.13Å; R160-S257 PolarHBondContact N-O 2.79Å; R160-S257 PolarHBondContact O-N 3.46Å; R160-Y258 PolarHBondContact NH1-O 3.37Å; R160-D260 IonicContact CZ-OD1 2.91Å; R160-D260 IonicContact NH1-OD1 3.77Å; R160-D260 PolarHBondContact NH1-OD1 3.15Å; R160-D260 IonicContact NH2-OD1 2.74Å; R160-D260 PolarHBondContact NH2-OD1 2.68Å; R160-P440 PolarHBondContact NE-O 3.33Å; R160-P440 PolarHBondContact NH2-O 2.91Å; R160-S441 VanDerWaalsContact CG-O 3.31Å; R160-S441 WeakPolarHBondContact CG-O 3.44Å |
| 161 | A | 90.5 | Very high | 91.4 | Very high | 6 Ų | 6 | 41.9 Ų | 41.9 | 5% | 0.05 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 143.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111 | F140 G141 T142 V253 S255 I256 | F140-A161 HydrophobicContact CE2-CB 4.43Å; G141-A161 CarbonylContact C-O 3.59Å; G141-A161 WeakPolarHBondContact CA-O 3.42Å; T142-A161 HydrophobicContact CG2-CB 3.98Å; T142-A161 PolarHBondContact N-O 2.68Å; T142-A161 PolarHBondContact OG1-N 3.09Å; T142-A161 PolarHBondContact OG1-O 3.49Å; A161-V253 HydrophobicContact CB-CG1 4.33Å; A161-S255 WeakPolarHBondContact CA-O 3.47Å; A161-I256 HydrophobicContact CB-CG1 4.44Å |
| 162 | H | 90 | Very high | 91.7 | Very high | 14 Ų | 14 | 38.5 Ų | 38.5 | 7% | 0.065 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 162.1 | 168.8 | 65.2 | -82.7 | 0 | 0 | 0 | 110.4 | F140 A254 S255 C442 G443 A444 F459 | F140-H162 VanDerWaalsContact O-CA 3.31Å; F140-H162 WeakPolarHBondContact O-CA 3.49Å; F140-H162 WeakPolarHBondContact O-CB 3.03Å; H162-A254 PolarHBondContact O-N 3.23Å; H162-S255 PolarHBondContact CE1-OG 2.99Å; H162-S255 PolarHBondContact N-O 2.77Å; H162-S255 PolarHBondContact O-N 3.04Å; H162-C442 HydrophobicContact CB-CB 4.14Å; H162-C442 PolarHBondContact ND1-O 2.81Å; H162-G443 PolarHBondContact CE1-O 3.01Å; H162-A444 WeakPolarHBondContact CE1-CA 3.28Å; H162-A444 PolarHBondContact CE1-N 3.27Å; H162-A444 PolarHBondContact ND1-N 2.8Å; H162-F459 HydrophobicContact CB-CB 3.99Å; H162-F459 HydrophobicContact CB-CD1 4.07Å; H162-F459 HydrophobicContact CB-CG 4.11Å; H162-F459 AromaticContact CD2-CD1 3.86Å; H162-F459 AromaticContact CD2-CE1 3.87Å |
| 163 | G | 91.3 | Very high | 92 | Very high | 2 Ų | 2 | 36.5 Ų | 36.5 | 2% | 0.021 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 165.6 | -149.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | K139 F140 A252 | K139-G163 WeakPolarHBondContact CA-O 3.35Å; F140-G163 VanDerWaalsContact CE1-C 3.49Å; F140-G163 PolarHBondContact N-O 3.1Å; F140-G163 PolarHBondContact O-N 3.35Å; G163-A252 VanDerWaalsContact CA-O 3.31Å; G163-A252 WeakPolarHBondContact CA-O 3.45Å |
| 164 | T | 92.2 | Very high | 92.4 | Very high | 44 Ų | 44 | 37.7 Ų | 37.7 | 27% | 0.27 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 152.6 | 175.2 | 48.7 | 0 | 0 | 0 | 0 | 111.4 | I138 K139 A252 | I138-T164 CarbonylContact O-C 3.53Å; I138-T164 WeakPolarHBondContact O-CA 3.44Å; K139-T164 HydrophobicContact CG-CG2 3.96Å; T164-A252 PolarHBondContact N-O 2.66Å; T164-A252 CarbonylContact O-C 3.55Å; T164-A252 PolarHBondContact O-N 2.75Å |
| 165 | Y | 92.9 | Very high | 92.8 | Very high | 4 Ų | 4 | 32.1 Ų | 32.1 | 2% | 0.016 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 170.1 | 163.8 | 64 | -84.3 | 0 | 0 | 0 | 110.5 | G137 I138 F140 I167 N193 F200 W240 I248 S250 | G137-Y165 PolarHBondContact N-O 2.84Å; I138-Y165 HydrophobicContact CB-CD1 4.24Å; I138-Y165 HydrophobicContact CB-CD2 4.21Å; I138-Y165 HydrophobicContact CB-CE1 4.06Å; I138-Y165 HydrophobicContact CB-CE2 4.02Å; I138-Y165 HydrophobicContact CB-CG 4.33Å; I138-Y165 HydrophobicContact CD1-CD2 4.15Å; I138-Y165 HydrophobicContact CD1-CE2 3.86Å; I138-Y165 HydrophobicContact CG2-CD1 4.3Å; I138-Y165 HydrophobicContact CG2-CE1 3.62Å; I138-Y165 HydrophobicContact CG2-CE2 3.86Å; I138-Y165 WeakPolarHBondContact CG2-OH 3.25Å; I138-Y165 PolarHBondContact N-O 3.34Å; I138-Y165 VanDerWaalsContact N-O 3.12Å; I138-Y165 WeakPolarHBondContact O-CD1 3.31Å; I138-Y165 PolarHBondContact O-N 3.23Å; F140-Y165 HydrophobicContact CB-CD1 4.33Å; F140-Y165 HydrophobicContact CB-CE1 4.25Å; F140-Y165 HydrophobicContact CD1-CD1 4.03Å; Y165-I167 HydrophobicContact CD2-CG2 3.81Å; Y165-I167 HydrophobicContact CE2-CG2 3.69Å; Y165-N193 PolarHBondContact OH-OD1 2.7Å; Y165-F200 VanDerWaalsContact CB-CE2 3.48Å; Y165-F200 HydrophobicContact CD1-CD1 4.23Å; Y165-F200 AromaticContact CD1-CD2 3.62Å; Y165-F200 HydrophobicContact CD1-CD2 3.62Å; Y165-F200 AromaticContact CD1-CE1 3.97Å; Y165-F200 HydrophobicContact CD1-CE1 3.97Å; Y165-F200 AromaticContact CD1-CE2 3.26Å; Y165-F200 HydrophobicContact CD1-CE2 3.26Å; Y165-F200 HydrophobicContact CD1-CG 4.09Å; Y165-F200 AromaticContact CD1-CZ 3.48Å; Y165-F200 HydrophobicContact CD1-CZ 3.48Å; Y165-F200 VanDerWaalsContact CD1-CZ 3.48Å; Y165-F200 AromaticContact CD2-CD2 3.86Å; Y165-F200 HydrophobicContact CD2-CD2 3.86Å; Y165-F200 AromaticContact CD2-CE2 3.8Å; Y165-F200 HydrophobicContact CD2-CE2 3.8Å; Y165-F200 HydrophobicContact CE1-CB 4.45Å; Y165-F200 HydrophobicContact CE1-CD1 4.02Å; Y165-F200 AromaticContact CE1-CD2 3.63Å; Y165-F200 HydrophobicContact CE1-CD2 3.63Å; Y165-F200 HydrophobicContact CE1-CE1 4.21Å; Y165-F200 AromaticContact CE1-CE2 3.8Å; Y165-F200 HydrophobicContact CE1-CE2 3.8Å; Y165-F200 AromaticContact CE1-CG 3.75Å; Y165-F200 HydrophobicContact CE1-CG 3.75Å; Y165-F200 HydrophobicContact CE1-CZ 4.11Å; Y165-F200 AromaticContact CE2-CD2 3.88Å; Y165-F200 HydrophobicContact CE2-CD2 3.88Å; Y165-F200 HydrophobicContact CE2-CE2 4.28Å; Y165-F200 AromaticContact CG-CD2 3.72Å; Y165-F200 HydrophobicContact CG-CD2 3.72Å; Y165-F200 AromaticContact CG-CE2 3.24Å; Y165-F200 HydrophobicContact CG-CE2 3.24Å; Y165-F200 AromaticContact CG-CZ 3.85Å; Y165-F200 HydrophobicContact CG-CZ 3.85Å; Y165-F200 AromaticContact CZ-CD2 3.75Å; Y165-F200 AromaticContact CZ-CG 3.98Å; Y165-W240 AromaticContact CE2-CH2 3.88Å; Y165-W240 HydrophobicContact CE2-CH2 3.88Å; Y165-W240 HydrophobicContact CE2-CZ3 4.25Å; Y165-I248 HydrophobicContact CD2-CD1 3.58Å; Y165-I248 HydrophobicContact CE2-CD1 4.13Å; Y165-I248 HydrophobicContact CG-CD1 4.27Å; Y165-S250 CarbonylContact C-O 3.57Å; Y165-S250 VanDerWaalsContact CA-O 3.22Å; Y165-S250 WeakPolarHBondContact CA-O 3.27Å; Y165-S250 WeakPolarHBondContact CB-O 3.14Å |
| 166 | S | 93.7 | Very high | 93.1 | Very high | 2 Ų | 2 | 32.6 Ų | 32.6 | 1% | 0.014 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 145.5 | 169.8 | 57.4 | 0 | 0 | 0 | 0 | 111.2 | E134 I135 V249 S250 | E134-S166 WeakPolarHBondContact OE1-CB 3.45Å; E134-S166 PolarHBondContact OE1-OG 3.21Å; I135-S166 WeakPolarHBondContact O-CA 3.47Å; I135-S166 VanDerWaalsContact O-CB 3.25Å; I135-S166 WeakPolarHBondContact O-CB 3.29Å; S166-V249 PolarHBondContact O-N 2.8Å; S166-S250 PolarHBondContact N-O 2.91Å; S166-S250 PolarHBondContact OG-N 3.43Å; S166-S250 PolarHBondContact OG-OG 3.09Å |
| 167 | I | 94.7 | Very high | 93.1 | Very high | 3 Ų | 3 | 29.8 Ų | 29.8 | 2% | 0.015 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 162.7 | 175.2 | 69.7 | 178 | 0 | 0 | 0 | 110.3 | E134 I135 I138 Y165 I189 W240 M246 E247 I248 | E134-I167 CarbonylContact C-O 3.4Å; E134-I167 WeakPolarHBondContact CA-O 3.16Å; I135-I167 HydrophobicContact CB-CG1 3.95Å; I135-I167 HydrophobicContact CD1-CG1 4.39Å; I135-I167 HydrophobicContact CG1-CG1 4.47Å; I135-I167 PolarHBondContact N-O 3.26Å; I135-I167 PolarHBondContact O-N 3.05Å; I135-I167 VanDerWaalsContact O-N 3.12Å; I138-I167 HydrophobicContact CD1-CB 4.35Å; I138-I167 HydrophobicContact CD1-CD1 4.08Å; I138-I167 HydrophobicContact CD1-CG1 3.8Å; I138-I167 HydrophobicContact CD1-CG2 3.92Å; Y165-I167 HydrophobicContact CD2-CG2 3.81Å; Y165-I167 HydrophobicContact CE2-CG2 3.69Å; I167-I189 HydrophobicContact CD1-CD1 3.63Å; I167-I189 HydrophobicContact CD1-CG1 4.37Å; I167-W240 HydrophobicContact CG2-CE3 4.45Å; I167-W240 HydrophobicContact CG2-CH2 4.41Å; I167-W240 HydrophobicContact CG2-CZ3 3.62Å; I167-M246 HydrophobicContact CD1-SD 3.99Å; I167-E247 CarbonylContact C-O 3.47Å; I167-E247 VanDerWaalsContact CA-O 3.23Å; I167-E247 WeakPolarHBondContact CA-O 3.35Å; I167-I248 HydrophobicContact CG2-CD1 4.22Å |
| 168 | K | 95 | Very high | 93 | Very high | 86 Ų | 86 | 33.7 Ų | 33.7 | 37% | 0.374 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 139.4 | 167.1 | -178.8 | 178.1 | 178.3 | -174 | 0 | 109.9 | L132 M246 E247 V249 | L132-K168 WeakPolarHBondContact O-CE 3.4Å; K168-M246 CarbonylContact O-C 3.59Å; K168-M246 VanDerWaalsContact O-CA 3.27Å; K168-M246 WeakPolarHBondContact O-CA 3.22Å; K168-E247 PolarHBondContact N-O 3.02Å; K168-E247 PolarHBondContact O-N 3.49Å; K168-V249 HydrophobicContact CB-CG2 3.47Å; K168-V249 VanDerWaalsContact CB-CG2 3.47Å |
| 169 | V | 95.8 | Very high | 93 | Very high | 5 Ų | 5 | 30.1 Ų | 30.1 | 3% | 0.03 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 123.8 | 170.9 | -175.5 | 0 | 0 | 0 | 0 | 108.7 | I130 N131 P172 F175 | I130-V169 HydrophobicContact CG2-CB 4.45Å; I130-V169 HydrophobicContact CG2-CG1 4.03Å; I130-V169 HydrophobicContact CG2-CG2 4.24Å; N131-V169 WeakPolarHBondContact O-CG2 3.46Å; V169-P172 HydrophobicContact CG1-CB 3.97Å; V169-P172 HydrophobicContact CG1-CG 3.9Å; V169-F175 HydrophobicContact CG1-CB 3.75Å; V169-F175 HydrophobicContact CG1-CD1 4.05Å; V169-F175 HydrophobicContact CG1-CG 3.87Å; V169-F175 HydrophobicContact CG2-CD1 3.86Å; V169-F175 HydrophobicContact CG2-CD2 4.22Å; V169-F175 HydrophobicContact CG2-CE1 3.86Å; V169-F175 HydrophobicContact CG2-CE2 4.23Å; V169-F175 HydrophobicContact CG2-CG 4.05Å; V169-F175 HydrophobicContact CG2-CZ 4.06Å |
| 170 | T | 94.4 | Very high | 93.2 | Very high | 62 Ų | 62 | 30.7 Ų | 30.7 | 38% | 0.38 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -109.8 | -36.1 | -177.6 | 48.8 | 0 | 0 | 0 | 0 | 112.6 | G245 E247 | T170-G245 PolarHBondContact N-O 3.05Å; T170-G245 PolarHBondContact OG1-O 3.36Å; T170-E247 HydrophobicContact CG2-CB 4.33Å; T170-E247 HydrophobicContact CG2-CG 3.66Å; T170-E247 WeakPolarHBondContact CG2-OE1 3.26Å |
| 171 | D | 95.8 | Very high | 93.3 | Very high | 68 Ų | 68 | 30.2 Ų | 30.2 | 36% | 0.364 | 17% | 0.171 | S | C | . | . | trans | -120.5 | 96.3 | 166.6 | -176.2 | -23.7 | 0 | 0 | 0 | 108.9 | I173 L174 F175 G245 | D171-I173 VanDerWaalsContact C-N 3.26Å; D171-I173 PolarHBondContact O-N 2.84Å; D171-I173 PolarHBondContact OD1-N 2.77Å; D171-L174 HydrophobicContact CB-CB 3.87Å; D171-L174 PolarHBondContact O-N 3.33Å; D171-L174 PolarHBondContact OD1-N 2.75Å; D171-F175 VanDerWaalsContact O-CB 3.28Å; D171-F175 WeakPolarHBondContact O-CB 3.5Å; D171-F175 PolarHBondContact O-N 3.23Å; D171-G245 PolarHBondContact N-O 3.41Å | ||
| 172 | P | 95.1 | Very high | 93 | Very high | 16 Ų | 16 | 41.3 Ų | 41.3 | 10% | 0.104 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -69.5 | -22 | -176.4 | -20.1 | 34.2 | 0 | 0 | 0 | 113.8 | M70 I130 L132 V169 F176 | M70-P172 HydrophobicContact CB-CB 4.18Å; M70-P172 HydrophobicContact CB-CG 4.28Å; M70-P172 HydrophobicContact CG-CB 4.33Å; M70-P172 HydrophobicContact SD-CB 3.52Å; M70-P172 VanDerWaalsContact SD-CB 3.52Å; M70-P172 HydrophobicContact SD-CG 3.54Å; M70-P172 VanDerWaalsContact SD-CG 3.54Å; I130-P172 HydrophobicContact CB-CB 4.09Å; I130-P172 HydrophobicContact CG1-CB 4.23Å; I130-P172 HydrophobicContact CG2-CB 3.97Å; L132-P172 HydrophobicContact CD2-CB 4.07Å; L132-P172 HydrophobicContact CD2-CG 3.33Å; V169-P172 HydrophobicContact CG1-CB 3.97Å; V169-P172 HydrophobicContact CG1-CG 3.9Å; P172-F176 VanDerWaalsContact O-CB 3.25Å; P172-F176 WeakPolarHBondContact O-CB 3.25Å; P172-F176 PolarHBondContact O-N 2.9Å |
| 173 | I | 93.9 | Very high | 92.8 | Very high | 56 Ų | 56 | 47.1 Ų | 47.1 | 29% | 0.287 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -76.2 | -45.8 | 178.4 | -61.7 | 176.7 | 0 | 0 | 0 | 108.9 | M70 I79 Y82 D171 F176 A177 | M70-I173 HydrophobicContact CE-CD1 4.04Å; M70-I173 HydrophobicContact CE-CG1 3.88Å; I79-I173 HydrophobicContact CD1-CG2 4.02Å; Y82-I173 HydrophobicContact CD1-CD1 3.96Å; Y82-I173 HydrophobicContact CD2-CD1 4.48Å; Y82-I173 HydrophobicContact CE1-CD1 3.57Å; Y82-I173 HydrophobicContact CE2-CD1 4.13Å; Y82-I173 HydrophobicContact CG-CD1 4.39Å; D171-I173 VanDerWaalsContact C-N 3.26Å; D171-I173 PolarHBondContact O-N 2.84Å; D171-I173 PolarHBondContact OD1-N 2.77Å; I173-F176 PolarHBondContact O-N 3.42Å; I173-A177 WeakPolarHBondContact O-CB 3.47Å; I173-A177 PolarHBondContact O-N 2.78Å |
| 174 | L | 94.8 | Very high | 92.6 | Very high | 42 Ų | 42 | 50.1 Ų | 50.1 | 22% | 0.22 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.3 | -41.9 | 173.5 | -176.3 | 63 | 0 | 0 | 0 | 111.6 | D171 A177 N178 E242 | D171-L174 HydrophobicContact CB-CB 3.87Å; D171-L174 PolarHBondContact O-N 3.33Å; D171-L174 PolarHBondContact OD1-N 2.75Å; L174-A177 PolarHBondContact O-N 3.45Å; L174-N178 VanDerWaalsContact CD1-ND2 3.3Å; L174-N178 WeakPolarHBondContact CD1-ND2 3.43Å; L174-N178 WeakPolarHBondContact O-CB 3.18Å; L174-N178 PolarHBondContact O-N 3.44Å; L174-E242 WeakPolarHBondContact CD2-O 3.47Å |
| 175 | F | 95.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63 | -46.5 | 176 | -176 | -101.3 | 0 | 0 | 0 | 112.2 | V33 I130 V169 D171 A177 N178 A179 I180 I192 R244 M246 | V33-F175 HydrophobicContact CB-CE1 3.95Å; V33-F175 HydrophobicContact CB-CZ 3.91Å; V33-F175 HydrophobicContact CG1-CZ 4.06Å; V33-F175 HydrophobicContact CG2-CE1 4.4Å; V33-F175 HydrophobicContact CG2-CZ 4.34Å; I130-F175 HydrophobicContact CG2-CD1 3.92Å; I130-F175 HydrophobicContact CG2-CE1 4.31Å; V169-F175 HydrophobicContact CG1-CB 3.75Å; V169-F175 HydrophobicContact CG1-CD1 4.05Å; V169-F175 HydrophobicContact CG1-CG 3.87Å; V169-F175 HydrophobicContact CG2-CD1 3.86Å; V169-F175 HydrophobicContact CG2-CD2 4.22Å; V169-F175 HydrophobicContact CG2-CE1 3.86Å; V169-F175 HydrophobicContact CG2-CE2 4.23Å; V169-F175 HydrophobicContact CG2-CG 4.05Å; V169-F175 HydrophobicContact CG2-CZ 4.06Å; D171-F175 VanDerWaalsContact O-CB 3.28Å; D171-F175 WeakPolarHBondContact O-CB 3.5Å; D171-F175 PolarHBondContact O-N 3.23Å; F175-A177 VanDerWaalsContact C-N 3.29Å; F175-A177 PolarHBondContact O-N 3.34Å; F175-N178 PolarHBondContact O-N 2.98Å; F175-A179 HydrophobicContact CD2-CB 3.55Å; F175-A179 HydrophobicContact CE2-CB 3.58Å; F175-A179 HydrophobicContact CG-CB 4.15Å; F175-A179 HydrophobicContact CZ-CB 4.21Å; F175-A179 WeakPolarHBondContact O-CA 3.23Å; F175-A179 VanDerWaalsContact O-CB 3.31Å; F175-A179 WeakPolarHBondContact O-CB 3.24Å; F175-A179 PolarHBondContact O-N 2.85Å; F175-I180 HydrophobicContact CD1-CD1 4.31Å; F175-I180 HydrophobicContact CD1-CG1 4.13Å; F175-I180 HydrophobicContact CE1-CD1 3.66Å; F175-I180 HydrophobicContact CE1-CG1 4Å; F175-I180 HydrophobicContact CZ-CD1 4.2Å; F175-I180 PolarHBondContact O-N 3.19Å; F175-I192 HydrophobicContact CZ-CD1 4.14Å; F175-R244 WeakPolarHBondContact CA-O 3.47Å; F175-R244 VanDerWaalsContact CB-O 3.3Å; F175-R244 WeakPolarHBondContact CB-O 3.2Å; F175-R244 WeakPolarHBondContact CD2-O 3.14Å; F175-R244 PolarHBondContact N-O 3.46Å; F175-M246 HydrophobicContact CD2-CB 4.23Å; F175-M246 HydrophobicContact CD2-CG 4.43Å; F175-M246 HydrophobicContact CD2-SD 4.2Å; F175-M246 HydrophobicContact CE2-CB 4.45Å; F175-M246 HydrophobicContact CE2-SD 3.76Å |
| 176 | F | 93.6 | Very high | 92.5 | Very high | 37 Ų | 37 | 56.7 Ų | 56.7 | 16% | 0.162 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.4 | -35.6 | 173.5 | -178.4 | -101.3 | 0 | 0 | 0 | 112.7 | L72 V74 I79 F128 I130 P172 I173 I180 | L72-F176 HydrophobicContact CD1-CB 3.71Å; L72-F176 HydrophobicContact CD1-CD1 3.91Å; L72-F176 HydrophobicContact CD1-CD2 3.85Å; L72-F176 HydrophobicContact CD1-CE1 4.48Å; L72-F176 HydrophobicContact CD1-CE2 4.42Å; L72-F176 HydrophobicContact CD1-CG 3.54Å; V74-F176 HydrophobicContact CG2-CE1 4.23Å; V74-F176 HydrophobicContact CG2-CZ 4.22Å; I79-F176 HydrophobicContact CD1-CD1 3.99Å; I79-F176 HydrophobicContact CD1-CE1 4.42Å; I79-F176 HydrophobicContact CG1-CD1 4.38Å; I79-F176 HydrophobicContact CG1-CE1 4.32Å; F128-F176 HydrophobicContact CB-CE2 4.14Å; F128-F176 HydrophobicContact CD1-CE2 4.49Å; F128-F176 AromaticContact CD2-CE2 3.95Å; F128-F176 HydrophobicContact CD2-CE2 3.95Å; F128-F176 AromaticContact CD2-CZ 3.81Å; F128-F176 HydrophobicContact CD2-CZ 3.81Å; F128-F176 HydrophobicContact CE2-CE2 4.48Å; F128-F176 HydrophobicContact CE2-CZ 4.12Å; F128-F176 AromaticContact CG-CE2 3.94Å; F128-F176 HydrophobicContact CG-CE2 3.94Å; F128-F176 HydrophobicContact CG-CZ 4.28Å; I130-F176 HydrophobicContact CD1-CB 4.14Å; I130-F176 HydrophobicContact CD1-CD2 3.9Å; I130-F176 HydrophobicContact CD1-CG 4.45Å; P172-F176 VanDerWaalsContact O-CB 3.25Å; P172-F176 WeakPolarHBondContact O-CB 3.25Å; P172-F176 PolarHBondContact O-N 2.9Å; I173-F176 PolarHBondContact O-N 3.42Å; F176-I180 HydrophobicContact CD2-CB 4.29Å; F176-I180 HydrophobicContact CD2-CG1 4.4Å; F176-I180 HydrophobicContact CD2-CG2 4.13Å; F176-I180 HydrophobicContact CE2-CG2 4.31Å |
| 177 | A | 91.4 | Very high | 92.6 | Very high | 50 Ų | 50 | 56.6 Ų | 56.6 | 41% | 0.413 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -72.4 | -39.4 | 180 | 0 | 0 | 0 | 0 | 0 | 113.8 | I173 L174 F175 | I173-A177 WeakPolarHBondContact O-CB 3.47Å; I173-A177 PolarHBondContact O-N 2.78Å; L174-A177 PolarHBondContact O-N 3.45Å; F175-A177 VanDerWaalsContact C-N 3.29Å; F175-A177 PolarHBondContact O-N 3.34Å |
| 178 | N | 91.5 | Very high | 92.5 | Very high | 83 Ų | 83 | 58 Ų | 58 | 44% | 0.444 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -114.1 | -23.8 | -167.3 | -69.6 | -10 | 0 | 0 | 0 | 115.3 | L174 F175 L243 | L174-N178 VanDerWaalsContact CD1-ND2 3.3Å; L174-N178 WeakPolarHBondContact CD1-ND2 3.43Å; L174-N178 WeakPolarHBondContact O-CB 3.18Å; L174-N178 PolarHBondContact O-N 3.44Å; F175-N178 PolarHBondContact O-N 2.98Å; N178-L243 PolarHBondContact ND2-O 2.84Å |
| 179 | A | 92.2 | Very high | 92.4 | Very high | 8 Ų | 8 | 54.3 Ų | 54.3 | 7% | 0.066 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.6 | -27.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114 | F175 Y196 | F175-A179 HydrophobicContact CD2-CB 3.55Å; F175-A179 HydrophobicContact CE2-CB 3.58Å; F175-A179 HydrophobicContact CG-CB 4.15Å; F175-A179 HydrophobicContact CZ-CB 4.21Å; F175-A179 WeakPolarHBondContact O-CA 3.23Å; F175-A179 VanDerWaalsContact O-CB 3.31Å; F175-A179 WeakPolarHBondContact O-CB 3.24Å; F175-A179 PolarHBondContact O-N 2.85Å; A179-Y196 WeakPolarHBondContact CA-OH 3.45Å; A179-Y196 WeakPolarHBondContact CB-OH 3.31Å |
| 180 | I | 93.3 | Very high | 92 | Very high | 14 Ų | 14 | 58 Ų | 58 | 7% | 0.072 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -88.4 | 126.8 | -174.2 | -65.9 | -58.9 | 0 | 0 | 0 | 112.6 | V33 M34 F175 F176 V187 | V33-I180 HydrophobicContact CB-CD1 4.48Å; V33-I180 HydrophobicContact CG2-CD1 3.67Å; M34-I180 HydrophobicContact CB-CD1 3.71Å; M34-I180 HydrophobicContact CB-CG1 4.31Å; M34-I180 HydrophobicContact CE-CG2 3.47Å; M34-I180 VanDerWaalsContact CE-CG2 3.47Å; M34-I180 HydrophobicContact CG-CD1 4.49Å; M34-I180 HydrophobicContact CG-CG2 4.42Å; F175-I180 HydrophobicContact CD1-CD1 4.31Å; F175-I180 HydrophobicContact CD1-CG1 4.13Å; F175-I180 HydrophobicContact CE1-CD1 3.66Å; F175-I180 HydrophobicContact CE1-CG1 4Å; F175-I180 HydrophobicContact CZ-CD1 4.2Å; F175-I180 PolarHBondContact O-N 3.19Å; F176-I180 HydrophobicContact CD2-CB 4.29Å; F176-I180 HydrophobicContact CD2-CG1 4.4Å; F176-I180 HydrophobicContact CD2-CG2 4.13Å; F176-I180 HydrophobicContact CE2-CG2 4.31Å; I180-V187 HydrophobicContact CD1-CB 4.31Å; I180-V187 HydrophobicContact CD1-CG1 4.21Å; I180-V187 HydrophobicContact CG2-CG2 4.35Å |
| 181 | P | 90.7 | Very high | 91.7 | Very high | 33 Ų | 33 | 58.8 Ų | 58.8 | 21% | 0.214 | 31% | 0.307 | C | S | . | . | trans | -63.7 | 133.5 | 172.1 | -24.6 | 35.4 | 0 | 0 | 0 | 113.1 | N183 M184 I192 | P181-N183 VanDerWaalsContact C-N 3.25Å; P181-N183 PolarHBondContact O-N 2.99Å; P181-M184 HydrophobicContact CB-CE 4.45Å; P181-M184 HydrophobicContact CB-CG 4.16Å; P181-M184 HydrophobicContact CB-SD 3.74Å; P181-M184 HydrophobicContact CG-CE 4.49Å; P181-M184 HydrophobicContact CG-SD 3.79Å; P181-I192 HydrophobicContact CG-CG2 3.85Å | ||
| 182 | R | 85.1 | Confident | 91.5 | Very high | 239 Ų | 239 | 56.5 Ų | 56.5 | 90% | 0.902 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -3.4 | -173.5 | -59.4 | -176.5 | -178.2 | -168.5 | -0.6 | 115.3 | ||
| 183 | N | 85.3 | Confident | 91.2 | Very high | 136 Ų | 136 | 56.7 Ų | 56.7 | 73% | 0.727 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.4 | 14.2 | -172.2 | 66.2 | -71.4 | 0 | 0 | 0 | 113.1 | P181 | P181-N183 VanDerWaalsContact C-N 3.25Å; P181-N183 PolarHBondContact O-N 2.99Å |
| 184 | M | 88.4 | Confident | 90.8 | Very high | 64 Ų | 64 | 62.1 Ų | 62.1 | 32% | 0.315 | 32% | 0.319 | S | S | . | . | trans | -121.7 | 134.5 | -177.6 | -67.4 | 177.5 | 173.4 | 0 | 0 | 109.4 | P181 V187 | P181-M184 HydrophobicContact CB-CE 4.45Å; P181-M184 HydrophobicContact CB-CG 4.16Å; P181-M184 HydrophobicContact CB-SD 3.74Å; P181-M184 HydrophobicContact CG-CE 4.49Å; P181-M184 HydrophobicContact CG-SD 3.79Å; M184-V187 HydrophobicContact CB-CG2 3.7Å; M184-V187 HydrophobicContact CG-CG2 4.47Å; M184-V187 HydrophobicContact SD-CG2 3.97Å | ||
| 185 | D | 90.1 | Very high | 90.4 | Very high | 95 Ų | 95 | 65.7 Ų | 65.7 | 51% | 0.508 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -88.5 | -11.8 | 173.6 | -72.9 | -32.2 | 0 | 0 | 0 | 111.8 | S35 K36 | S35-D185 CarbonylContact C-O 3.56Å; K36-D185 HydrophobicContact CB-CB 4.02Å; K36-D185 WeakPolarHBondContact CB-O 3.38Å; K36-D185 HydrophobicContact CD-CB 4.14Å; K36-D185 VanDerWaalsContact CD-OD1 3.27Å; K36-D185 WeakPolarHBondContact CD-OD1 3.3Å; K36-D185 PolarHBondContact N-O 2.92Å |
| 186 | Q | 93.1 | Very high | 90.2 | Very high | 91 Ų | 91 | 66.4 Ų | 66.4 | 43% | 0.425 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 142.8 | 172.6 | 177.6 | 171.3 | -1.7 | 0 | 0 | 107.9 | D27 T32 M34 | D27-Q186 PolarHBondContact O-NE2 2.94Å; T32-Q186 HydrophobicContact CG2-CG 3.96Å; M34-Q186 WeakPolarHBondContact O-CA 3.32Å |
| 187 | V | 94.5 | Very high | 90 | Very high | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 123.8 | -177.1 | -176.7 | 0 | 0 | 0 | 0 | 109 | T32 V33 M34 I180 M184 D191 I192 | T32-V187 WeakPolarHBondContact CG2-O 3.45Å; V33-V187 HydrophobicContact CG2-CB 3.79Å; V33-V187 HydrophobicContact CG2-CG1 3.54Å; V33-V187 WeakPolarHBondContact CG2-O 3.23Å; V33-V187 PolarHBondContact N-O 3.02Å; M34-V187 HydrophobicContact CB-CB 4.36Å; M34-V187 HydrophobicContact CE-CG2 3.67Å; M34-V187 PolarHBondContact N-O 3.33Å; M34-V187 PolarHBondContact O-N 2.91Å; I180-V187 HydrophobicContact CD1-CB 4.31Å; I180-V187 HydrophobicContact CD1-CG1 4.21Å; I180-V187 HydrophobicContact CG2-CG2 4.35Å; M184-V187 HydrophobicContact CB-CG2 3.7Å; M184-V187 HydrophobicContact CG-CG2 4.47Å; M184-V187 HydrophobicContact SD-CG2 3.97Å; V187-D191 HydrophobicContact CG1-CB 4.24Å; V187-I192 HydrophobicContact CG1-CG2 3.9Å |
| 188 | D | 93.7 | Very high | 90 | Very high | 32 Ų | 32 | 68.2 Ų | 68.2 | 17% | 0.171 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 156 | 167.6 | -161.9 | -86.7 | 0 | 0 | 0 | 110.6 | T31 T32 S190 D191 | T31-D188 WeakPolarHBondContact CB-OD1 3.14Å; T31-D188 WeakPolarHBondContact CB-OD2 3.47Å; T31-D188 PolarHBondContact OG1-OD1 3.04Å; T31-D188 PolarHBondContact OG1-OD2 2.92Å; T32-D188 PolarHBondContact N-OD2 3.32Å; D188-S190 PolarHBondContact O-N 2.66Å; D188-S190 PolarHBondContact OD1-N 3.4Å; D188-S190 PolarHBondContact OD1-OG 2.83Å; D188-D191 PolarHBondContact N-OD2 3.36Å; D188-D191 WeakPolarHBondContact O-CB 3.3Å; D188-D191 PolarHBondContact O-N 3.27Å |
| 189 | I | 92.9 | Very high | 90 | Very high | 9 Ų | 9 | 66 Ų | 66 | 5% | 0.046 | 33% | 0.325 | C | S | . | . | G | 310 helix | trans | -55.2 | -35.5 | 173.1 | -170.4 | 55.1 | 0 | 0 | 0 | 111.1 | T31 V33 I135 I138 I167 D191 I192 N193 | T31-I189 HydrophobicContact CG2-CG2 4.27Å; T31-I189 PolarHBondContact O-N 2.81Å; V33-I189 HydrophobicContact CG1-CB 4.02Å; V33-I189 HydrophobicContact CG1-CD1 4.1Å; I135-I189 HydrophobicContact CG2-CB 4.36Å; I135-I189 HydrophobicContact CG2-CG2 4.31Å; I138-I189 HydrophobicContact CD1-CG1 3.83Å; I138-I189 HydrophobicContact CG1-CG1 4.11Å; I138-I189 HydrophobicContact CG1-CG2 4.22Å; I167-I189 HydrophobicContact CD1-CD1 3.63Å; I167-I189 HydrophobicContact CD1-CG1 4.37Å; I189-D191 PolarHBondContact O-N 2.87Å; I189-D191 VanDerWaalsContact O-N 3.13Å; I189-I192 HydrophobicContact CD1-CD1 4.18Å; I189-I192 HydrophobicContact CD1-CG1 4Å; I189-I192 WeakPolarHBondContact O-CG1 3.42Å; I189-I192 PolarHBondContact O-N 2.74Å; I189-N193 HydrophobicContact CG1-CB 4.46Å; I189-N193 WeakPolarHBondContact O-CB 3.11Å; I189-N193 PolarHBondContact O-N 3.03Å |
| 190 | S | 86.3 | Confident | 90.1 | Very high | 82 Ų | 82 | 65.6 Ų | 65.6 | 57% | 0.573 | 32% | 0.322 | S | S | * | . | G | 310 helix | trans | -57.3 | -29.6 | 177.8 | 59.1 | 0 | 0 | 0 | 0 | 114.2 | D188 I192 | D188-S190 PolarHBondContact O-N 2.66Å; D188-S190 PolarHBondContact OD1-N 3.4Å; D188-S190 PolarHBondContact OD1-OG 2.83Å; S190-I192 VanDerWaalsContact C-N 3.26Å; S190-I192 PolarHBondContact O-N 2.78Å |
| 191 | D | 89.5 | Confident | 90.1 | Very high | 80 Ų | 80 | 65.9 Ų | 65.9 | 43% | 0.428 | 32% | 0.323 | S | S | . | . | G | 310 helix | trans | -76.2 | -18 | -174.3 | -51.5 | -27.4 | 0 | 0 | 0 | 112.4 | V187 D188 I189 | V187-D191 HydrophobicContact CG1-CB 4.24Å; D188-D191 PolarHBondContact N-OD2 3.36Å; D188-D191 WeakPolarHBondContact O-CB 3.3Å; D188-D191 PolarHBondContact O-N 3.27Å; I189-D191 PolarHBondContact O-N 2.87Å; I189-D191 VanDerWaalsContact O-N 3.13Å |
| 192 | I | 90.4 | Very high | 90.1 | Very high | 20 Ų | 20 | 68.8 Ų | 68.8 | 10% | 0.103 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -121.5 | -8.3 | -178.1 | 64.6 | 178.2 | 0 | 0 | 0 | 113 | V33 F175 P181 V187 I189 S190 E194 Y196 | V33-I192 HydrophobicContact CG1-CD1 4.47Å; V33-I192 HydrophobicContact CG2-CD1 4.1Å; F175-I192 HydrophobicContact CZ-CD1 4.14Å; P181-I192 HydrophobicContact CG-CG2 3.85Å; V187-I192 HydrophobicContact CG1-CG2 3.9Å; I189-I192 HydrophobicContact CD1-CD1 4.18Å; I189-I192 HydrophobicContact CD1-CG1 4Å; I189-I192 WeakPolarHBondContact O-CG1 3.42Å; I189-I192 PolarHBondContact O-N 2.74Å; S190-I192 VanDerWaalsContact C-N 3.26Å; S190-I192 PolarHBondContact O-N 2.78Å; I192-E194 VanDerWaalsContact C-N 3.33Å; I192-E194 PolarHBondContact O-N 2.8Å; I192-Y196 HydrophobicContact CB-CD2 4.43Å; I192-Y196 HydrophobicContact CB-CE2 4Å; I192-Y196 HydrophobicContact CD1-CE2 4.06Å; I192-Y196 HydrophobicContact CG1-CD2 4.25Å; I192-Y196 HydrophobicContact CG1-CE2 4Å; I192-Y196 WeakPolarHBondContact O-CD2 3.37Å; I192-Y196 WeakPolarHBondContact O-CE2 3.21Å |
| 193 | N | 88.1 | Confident | 90.5 | Very high | 20 Ų | 20 | 57.6 Ų | 57.6 | 11% | 0.107 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -75.1 | -8.7 | -171.4 | -165.8 | 51.4 | 0 | 0 | 0 | 115.3 | Y165 I189 Q195 Y196 L197 | Y165-N193 PolarHBondContact OH-OD1 2.7Å; I189-N193 HydrophobicContact CG1-CB 4.46Å; I189-N193 WeakPolarHBondContact O-CB 3.11Å; I189-N193 PolarHBondContact O-N 3.03Å; N193-Q195 PolarHBondContact O-N 2.8Å; N193-Y196 PolarHBondContact O-N 2.79Å; N193-L197 WeakPolarHBondContact O-CB 3.07Å; N193-L197 PolarHBondContact O-N 3Å |
| 194 | E | 86.1 | Confident | 90.9 | Very high | 170 Ų | 170 | 51.2 Ų | 51.2 | 79% | 0.794 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -60.1 | -52.1 | -176.2 | -175.3 | 177.5 | -172.8 | 0 | 0 | 112.1 | I192 | I192-E194 VanDerWaalsContact C-N 3.33Å; I192-E194 PolarHBondContact O-N 2.8Å |
| 195 | Q | 86.4 | Confident | 91.1 | Very high | 116 Ų | 116 | 52.2 Ų | 52.2 | 54% | 0.542 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -69.6 | -44.1 | 176.5 | 177.6 | 169.3 | -16.1 | 0 | 0 | 111.5 | N193 L197 Q198 E199 | N193-Q195 PolarHBondContact O-N 2.8Å; Q195-L197 VanDerWaalsContact C-N 3.27Å; Q195-L197 PolarHBondContact O-N 3.5Å; Q195-Q198 PolarHBondContact O-N 3.24Å; Q195-E199 HydrophobicContact CG-CG 4.44Å; Q195-E199 WeakPolarHBondContact CG-OE1 3.46Å; Q195-E199 PolarHBondContact NE2-OE1 3.37Å; Q195-E199 PolarHBondContact O-N 3.33Å |
| 196 | Y | 91.6 | Very high | 91.2 | Very high | 15 Ų | 15 | 49.9 Ų | 49.9 | 6% | 0.059 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.2 | -32.1 | -179.5 | -57.8 | -47 | 0 | 0 | 0 | 112.4 | A179 I192 N193 Q198 E199 F200 W240 R244 M246 | A179-Y196 WeakPolarHBondContact CA-OH 3.45Å; A179-Y196 WeakPolarHBondContact CB-OH 3.31Å; I192-Y196 HydrophobicContact CB-CD2 4.43Å; I192-Y196 HydrophobicContact CB-CE2 4Å; I192-Y196 HydrophobicContact CD1-CE2 4.06Å; I192-Y196 HydrophobicContact CG1-CD2 4.25Å; I192-Y196 HydrophobicContact CG1-CE2 4Å; I192-Y196 WeakPolarHBondContact O-CD2 3.37Å; I192-Y196 WeakPolarHBondContact O-CE2 3.21Å; N193-Y196 PolarHBondContact O-N 2.79Å; Y196-Q198 VanDerWaalsContact C-N 3.33Å; Y196-Q198 PolarHBondContact O-N 3.13Å; Y196-E199 PolarHBondContact O-N 3.29Å; Y196-F200 WeakPolarHBondContact O-CB 3.39Å; Y196-F200 PolarHBondContact O-N 2.82Å; Y196-W240 WeakPolarHBondContact O-CZ2 3.34Å; Y196-R244 HydrophobicContact CE1-CG 4.08Å; Y196-R244 WeakPolarHBondContact OH-CD 3.17Å; Y196-M246 HydrophobicContact CD1-CE 3.56Å; Y196-M246 HydrophobicContact CD2-CE 3.99Å; Y196-M246 HydrophobicContact CE1-CE 3.59Å; Y196-M246 HydrophobicContact CE2-CE 4.02Å; Y196-M246 HydrophobicContact CG-CE 3.79Å |
| 197 | L | 90.5 | Very high | 91.2 | Very high | 22 Ų | 22 | 45.6 Ų | 45.6 | 12% | 0.115 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.6 | -36.7 | 173.3 | -179.6 | 60.3 | 0 | 0 | 0 | 112 | F140 N193 Q195 L201 | F140-L197 HydrophobicContact CB-CD1 3.73Å; N193-L197 WeakPolarHBondContact O-CB 3.07Å; N193-L197 PolarHBondContact O-N 3Å; Q195-L197 VanDerWaalsContact C-N 3.27Å; Q195-L197 PolarHBondContact O-N 3.5Å; L197-L201 HydrophobicContact CD1-CG 4.37Å; L197-L201 HydrophobicContact CG-CD1 4.37Å; L197-L201 WeakPolarHBondContact O-CB 3.43Å; L197-L201 VanDerWaalsContact O-CG 3.25Å; L197-L201 WeakPolarHBondContact O-CG 3.3Å; L197-L201 PolarHBondContact O-N 3.49Å |
| 198 | Q | 89.9 | Confident | 91 | Very high | 104 Ų | 104 | 45.9 Ų | 45.9 | 49% | 0.486 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -71.2 | -39.9 | 175.3 | -58 | -53.4 | -40.9 | 0 | 0 | 111.9 | Q195 Y196 L201 T202 | Q195-Q198 PolarHBondContact O-N 3.24Å; Y196-Q198 VanDerWaalsContact C-N 3.33Å; Y196-Q198 PolarHBondContact O-N 3.13Å; Q198-L201 PolarHBondContact O-N 3.32Å; Q198-T202 WeakPolarHBondContact O-CB 3.31Å; Q198-T202 PolarHBondContact O-N 3.29Å; Q198-T202 PolarHBondContact O-OG1 3Å |
| 199 | E | 92.1 | Very high | 90.9 | Very high | 36 Ų | 36 | 47.8 Ų | 47.8 | 17% | 0.168 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62 | -46 | 172.8 | -67.5 | 174.9 | -171.2 | 0 | 0 | 110.5 | Q195 Y196 L201 T202 G203 W240 | Q195-E199 HydrophobicContact CG-CG 4.44Å; Q195-E199 WeakPolarHBondContact CG-OE1 3.46Å; Q195-E199 PolarHBondContact NE2-OE1 3.37Å; Q195-E199 PolarHBondContact O-N 3.33Å; Y196-E199 PolarHBondContact O-N 3.29Å; E199-L201 PolarHBondContact O-N 3.11Å; E199-T202 WeakPolarHBondContact O-CB 3.49Å; E199-T202 PolarHBondContact O-N 3.33Å; E199-G203 PolarHBondContact O-N 3.17Å; E199-W240 HydrophobicContact CB-CZ2 4.47Å; E199-W240 PolarHBondContact OE2-NE1 2.92Å |
| 200 | F | 94.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -56.9 | -47.4 | 174 | 175.7 | -83.5 | 0 | 0 | 0 | 112.3 | F140 Y165 Y196 T202 G203 L204 L232 W240 I248 V251 | F140-F200 HydrophobicContact CB-CD1 3.98Å; F140-F200 HydrophobicContact CB-CE1 3.64Å; F140-F200 HydrophobicContact CB-CZ 4.46Å; F140-F200 AromaticContact CD1-CE1 3.64Å; F140-F200 HydrophobicContact CD1-CE1 3.64Å; F140-F200 AromaticContact CD1-CZ 3.73Å; F140-F200 HydrophobicContact CD1-CZ 3.73Å; F140-F200 AromaticContact CD2-CE1 3.66Å; F140-F200 HydrophobicContact CD2-CE1 3.66Å; F140-F200 HydrophobicContact CD2-CZ 4.44Å; F140-F200 HydrophobicContact CE1-CE1 4.15Å; F140-F200 AromaticContact CE1-CZ 3.99Å; F140-F200 HydrophobicContact CE1-CZ 3.99Å; F140-F200 HydrophobicContact CE2-CE1 4.19Å; F140-F200 HydrophobicContact CG-CD1 4.18Å; F140-F200 AromaticContact CG-CE1 3.35Å; F140-F200 HydrophobicContact CG-CE1 3.35Å; F140-F200 AromaticContact CG-CZ 3.96Å; F140-F200 HydrophobicContact CG-CZ 3.96Å; F140-F200 HydrophobicContact CZ-CE1 4.4Å; F140-F200 HydrophobicContact CZ-CZ 4.47Å; Y165-F200 VanDerWaalsContact CB-CE2 3.48Å; Y165-F200 HydrophobicContact CD1-CD1 4.23Å; Y165-F200 AromaticContact CD1-CD2 3.62Å; Y165-F200 HydrophobicContact CD1-CD2 3.62Å; Y165-F200 AromaticContact CD1-CE1 3.97Å; Y165-F200 HydrophobicContact CD1-CE1 3.97Å; Y165-F200 AromaticContact CD1-CE2 3.26Å; Y165-F200 HydrophobicContact CD1-CE2 3.26Å; Y165-F200 HydrophobicContact CD1-CG 4.09Å; Y165-F200 AromaticContact CD1-CZ 3.48Å; Y165-F200 HydrophobicContact CD1-CZ 3.48Å; Y165-F200 VanDerWaalsContact CD1-CZ 3.48Å; Y165-F200 AromaticContact CD2-CD2 3.86Å; Y165-F200 HydrophobicContact CD2-CD2 3.86Å; Y165-F200 AromaticContact CD2-CE2 3.8Å; Y165-F200 HydrophobicContact CD2-CE2 3.8Å; Y165-F200 HydrophobicContact CE1-CB 4.45Å; Y165-F200 HydrophobicContact CE1-CD1 4.02Å; Y165-F200 AromaticContact CE1-CD2 3.63Å; Y165-F200 HydrophobicContact CE1-CD2 3.63Å; Y165-F200 HydrophobicContact CE1-CE1 4.21Å; Y165-F200 AromaticContact CE1-CE2 3.8Å; Y165-F200 HydrophobicContact CE1-CE2 3.8Å; Y165-F200 AromaticContact CE1-CG 3.75Å; Y165-F200 HydrophobicContact CE1-CG 3.75Å; Y165-F200 HydrophobicContact CE1-CZ 4.11Å; Y165-F200 AromaticContact CE2-CD2 3.88Å; Y165-F200 HydrophobicContact CE2-CD2 3.88Å; Y165-F200 HydrophobicContact CE2-CE2 4.28Å; Y165-F200 AromaticContact CG-CD2 3.72Å; Y165-F200 HydrophobicContact CG-CD2 3.72Å; Y165-F200 AromaticContact CG-CE2 3.24Å; Y165-F200 HydrophobicContact CG-CE2 3.24Å; Y165-F200 AromaticContact CG-CZ 3.85Å; Y165-F200 HydrophobicContact CG-CZ 3.85Å; Y165-F200 AromaticContact CZ-CD2 3.75Å; Y165-F200 AromaticContact CZ-CG 3.98Å; Y196-F200 WeakPolarHBondContact O-CB 3.39Å; Y196-F200 PolarHBondContact O-N 2.82Å; F200-T202 VanDerWaalsContact C-N 3.3Å; F200-T202 PolarHBondContact O-N 3.26Å; F200-G203 PolarHBondContact O-N 3.24Å; F200-L204 HydrophobicContact CE1-CB 4.4Å; F200-L204 HydrophobicContact CE1-CD2 4.23Å; F200-L204 VanDerWaalsContact O-CB 3.3Å; F200-L204 WeakPolarHBondContact O-CB 3.47Å; F200-L204 PolarHBondContact O-N 2.85Å; F200-L232 HydrophobicContact CD2-CD2 3.85Å; F200-L232 HydrophobicContact CE2-CD2 3.29Å; F200-L232 HydrophobicContact CZ-CD2 3.74Å; F200-W240 HydrophobicContact CB-CH2 4.12Å; F200-W240 HydrophobicContact CB-CZ2 4.08Å; F200-W240 HydrophobicContact CD2-CH2 4.3Å; F200-I248 HydrophobicContact CD2-CD1 3.82Å; F200-I248 HydrophobicContact CE2-CD1 3.91Å; F200-V251 HydrophobicContact CE2-CG2 4.48Å; F200-V251 HydrophobicContact CZ-CG1 4.35Å |
| 201 | L | 92.1 | Very high | 91.1 | Very high | 20 Ų | 20 | 47.7 Ų | 47.7 | 11% | 0.105 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.6 | -34.5 | 178.7 | -73.5 | 173.7 | 0 | 0 | 0 | 111.9 | F140 T142 L197 Q198 E199 L204 Q205 | F140-L201 HydrophobicContact CD2-CD2 4.24Å; T142-L201 HydrophobicContact CG2-CD2 4.38Å; L197-L201 HydrophobicContact CD1-CG 4.37Å; L197-L201 HydrophobicContact CG-CD1 4.37Å; L197-L201 WeakPolarHBondContact O-CB 3.43Å; L197-L201 VanDerWaalsContact O-CG 3.25Å; L197-L201 WeakPolarHBondContact O-CG 3.3Å; L197-L201 PolarHBondContact O-N 3.49Å; Q198-L201 PolarHBondContact O-N 3.32Å; E199-L201 PolarHBondContact O-N 3.11Å; L201-L204 HydrophobicContact CD2-CD2 4.31Å; L201-L204 PolarHBondContact O-N 3.29Å; L201-Q205 PolarHBondContact O-N 3.08Å |
| 202 | T | 92 | Very high | 91.3 | Very high | 94 Ų | 94 | 44.6 Ų | 44.6 | 58% | 0.577 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -67 | -46.5 | 174.1 | -55.2 | 0 | 0 | 0 | 0 | 111.1 | Q198 E199 F200 L204 Q205 A206 | Q198-T202 WeakPolarHBondContact O-CB 3.31Å; Q198-T202 PolarHBondContact O-N 3.29Å; Q198-T202 PolarHBondContact O-OG1 3Å; E199-T202 WeakPolarHBondContact O-CB 3.49Å; E199-T202 PolarHBondContact O-N 3.33Å; F200-T202 VanDerWaalsContact C-N 3.3Å; F200-T202 PolarHBondContact O-N 3.26Å; T202-L204 VanDerWaalsContact C-N 3.31Å; T202-L204 PolarHBondContact O-N 3.41Å; T202-Q205 WeakPolarHBondContact O-CB 3.34Å; T202-Q205 PolarHBondContact O-N 2.84Å; T202-A206 PolarHBondContact O-N 3.48Å |
| 203 | G | 93.7 | Very high | 91.3 | Very high | 4 Ų | 4 | 47.2 Ų | 47.2 | 4% | 0.041 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.2 | -38.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | E199 F200 Q205 A206 A207 L232 | E199-G203 PolarHBondContact O-N 3.17Å; F200-G203 PolarHBondContact O-N 3.24Å; G203-Q205 VanDerWaalsContact C-N 3.34Å; G203-Q205 PolarHBondContact O-N 3.38Å; G203-A206 WeakPolarHBondContact O-CB 3.25Å; G203-A206 PolarHBondContact O-N 3.21Å; G203-A207 WeakPolarHBondContact O-CB 3.45Å; G203-A207 PolarHBondContact O-N 2.94Å; G203-L232 WeakPolarHBondContact O-CD1 3.39Å |
| 204 | L | 92.7 | Very high | 91.5 | Very high | 2 Ų | 2 | 50.5 Ų | 50.5 | 1% | 0.01 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.6 | -41.9 | 177 | 178.4 | 67 | 0 | 0 | 0 | 110.5 | F140 T142 L146 F200 L201 T202 A207 I208 L228 L232 | F140-L204 HydrophobicContact CD2-CD2 3.97Å; F140-L204 HydrophobicContact CE2-CD2 3.56Å; F140-L204 HydrophobicContact CZ-CD2 4.37Å; T142-L204 HydrophobicContact CG2-CD2 4.42Å; L146-L204 HydrophobicContact CD1-CD2 4.3Å; L146-L204 HydrophobicContact CD1-CG 4.3Å; F200-L204 HydrophobicContact CE1-CB 4.4Å; F200-L204 HydrophobicContact CE1-CD2 4.23Å; F200-L204 VanDerWaalsContact O-CB 3.3Å; F200-L204 WeakPolarHBondContact O-CB 3.47Å; F200-L204 PolarHBondContact O-N 2.85Å; L201-L204 HydrophobicContact CD2-CD2 4.31Å; L201-L204 PolarHBondContact O-N 3.29Å; T202-L204 VanDerWaalsContact C-N 3.31Å; T202-L204 PolarHBondContact O-N 3.41Å; L204-A207 PolarHBondContact O-N 2.97Å; L204-I208 HydrophobicContact CD1-CG1 4.07Å; L204-I208 HydrophobicContact CG-CG1 4.33Å; L204-I208 VanDerWaalsContact O-CB 3.25Å; L204-I208 WeakPolarHBondContact O-CB 3.42Å; L204-I208 WeakPolarHBondContact O-CG1 3.45Å; L204-I208 PolarHBondContact O-N 3.3Å; L204-L228 HydrophobicContact CD1-CD1 4.15Å; L204-L228 HydrophobicContact CD1-CD2 4.4Å; L204-L232 HydrophobicContact CB-CD1 4.43Å |
| 205 | Q | 92.3 | Very high | 91.7 | Very high | 85 Ų | 85 | 44 Ų | 44 | 40% | 0.397 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -61.8 | -42.6 | 173.2 | -172.4 | 175.9 | 2.5 | 0 | 0 | 111.6 | L146 L201 T202 G203 N209 | L146-Q205 HydrophobicContact CD2-CB 4.01Å; L146-Q205 HydrophobicContact CD2-CG 4.16Å; L201-Q205 PolarHBondContact O-N 3.08Å; T202-Q205 WeakPolarHBondContact O-CB 3.34Å; T202-Q205 PolarHBondContact O-N 2.84Å; G203-Q205 VanDerWaalsContact C-N 3.34Å; G203-Q205 PolarHBondContact O-N 3.38Å; Q205-N209 WeakPolarHBondContact O-CB 3.43Å; Q205-N209 PolarHBondContact O-N 3.27Å; Q205-N209 PolarHBondContact O-ND2 3.13Å |
| 206 | A | 92.9 | Very high | 91.9 | Very high | 46 Ų | 46 | 41 Ų | 41 | 38% | 0.38 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -62.9 | -45.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | T202 G203 N209 Q210 A235 | T202-A206 PolarHBondContact O-N 3.48Å; G203-A206 WeakPolarHBondContact O-CB 3.25Å; G203-A206 PolarHBondContact O-N 3.21Å; A206-N209 PolarHBondContact O-N 3.21Å; A206-Q210 PolarHBondContact O-N 3.02Å; A206-A235 HydrophobicContact CB-CB 4.16Å |
| 207 | A | 92.6 | Very high | 91.8 | Very high | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.008 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.3 | -43.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | G203 L204 Q210 M211 L228 L232 | G203-A207 WeakPolarHBondContact O-CB 3.45Å; G203-A207 PolarHBondContact O-N 2.94Å; L204-A207 PolarHBondContact O-N 2.97Å; A207-Q210 PolarHBondContact O-N 2.94Å; A207-M211 WeakPolarHBondContact O-CG 3.33Å; A207-M211 PolarHBondContact O-N 3.21Å; A207-L228 HydrophobicContact CB-CD1 3.97Å; A207-L232 HydrophobicContact CB-CB 4.28Å |
| 208 | I | 91.3 | Very high | 91.7 | Very high | 6 Ų | 6 | 42.2 Ų | 42.2 | 3% | 0.031 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.3 | -40.3 | 176.2 | -70.8 | -70.6 | 0 | 0 | 0 | 111.1 | L146 Y148 L204 M211 S212 V221 L228 | L146-I208 HydrophobicContact CD1-CG1 4.27Å; Y148-I208 HydrophobicContact CD2-CG2 3.58Å; Y148-I208 HydrophobicContact CE2-CG2 4.21Å; Y148-I208 VanDerWaalsContact CE2-O 3.3Å; Y148-I208 WeakPolarHBondContact CE2-O 3.41Å; L204-I208 HydrophobicContact CD1-CG1 4.07Å; L204-I208 HydrophobicContact CG-CG1 4.33Å; L204-I208 VanDerWaalsContact O-CB 3.25Å; L204-I208 WeakPolarHBondContact O-CB 3.42Å; L204-I208 WeakPolarHBondContact O-CG1 3.45Å; L204-I208 PolarHBondContact O-N 3.3Å; I208-M211 PolarHBondContact O-N 2.95Å; I208-S212 PolarHBondContact O-N 3.15Å; I208-V221 HydrophobicContact CD1-CG1 3.83Å; I208-L228 HydrophobicContact CD1-CD1 3.83Å; I208-L228 HydrophobicContact CG1-CD1 4.17Å |
| 209 | N | 90.6 | Very high | 91.5 | Very high | 72 Ų | 72 | 39.6 Ų | 39.6 | 39% | 0.385 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -63 | -39.5 | 172.2 | -73.9 | -15.8 | 0 | 0 | 0 | 112.2 | N147 Q205 A206 S212 A213 | N147-N209 PolarHBondContact O-OD1 2.83Å; Q205-N209 WeakPolarHBondContact O-CB 3.43Å; Q205-N209 PolarHBondContact O-N 3.27Å; Q205-N209 PolarHBondContact O-ND2 3.13Å; A206-N209 PolarHBondContact O-N 3.21Å; N209-S212 WeakPolarHBondContact O-CB 3.41Å; N209-S212 PolarHBondContact O-N 3.44Å; N209-A213 PolarHBondContact O-N 2.86Å |
| 210 | Q | 92.7 | Very high | 91.3 | Very high | 82 Ų | 82 | 43.7 Ų | 43.7 | 38% | 0.383 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -64.8 | -40.9 | 176.3 | -172.3 | 59.2 | 43.1 | 0 | 0 | 111.6 | A206 A207 S212 A213 D214 Y231 | A206-Q210 PolarHBondContact O-N 3.02Å; A207-Q210 PolarHBondContact O-N 2.94Å; Q210-S212 VanDerWaalsContact C-N 3.29Å; Q210-S212 PolarHBondContact O-N 2.87Å; Q210-A213 PolarHBondContact O-N 3.26Å; Q210-D214 PolarHBondContact NE2-OD1 3.33Å; Q210-D214 PolarHBondContact NE2-OD2 2.86Å; Q210-D214 WeakPolarHBondContact O-CB 3.48Å; Q210-D214 PolarHBondContact O-N 3.31Å; Q210-Y231 HydrophobicContact CB-CD1 4.26Å; Q210-Y231 HydrophobicContact CG-CD1 3.67Å; Q210-Y231 HydrophobicContact CG-CE1 3.57Å; Q210-Y231 HydrophobicContact CG-CG 4.42Å |
| 211 | M | 91.3 | Very high | 90.9 | Very high | 6 Ų | 6 | 43.7 Ų | 43.7 | 3% | 0.03 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.2 | -34.5 | 173.9 | -66.4 | -177.4 | 85.3 | 0 | 0 | 112.6 | Y148 A207 I208 G215 Q216 V221 K224 L228 Y231 | Y148-M211 HydrophobicContact CE2-CB 4.34Å; A207-M211 WeakPolarHBondContact O-CG 3.33Å; A207-M211 PolarHBondContact O-N 3.21Å; I208-M211 PolarHBondContact O-N 2.95Å; M211-G215 PolarHBondContact O-N 3.1Å; M211-Q216 HydrophobicContact CB-CB 4.45Å; M211-Q216 HydrophobicContact CE-CG 4.28Å; M211-Q216 VanDerWaalsContact O-CB 3.24Å; M211-Q216 WeakPolarHBondContact O-CB 3.43Å; M211-Q216 PolarHBondContact O-N 2.9Å; M211-V221 HydrophobicContact CE-CB 4.32Å; M211-V221 HydrophobicContact CE-CG1 4.06Å; M211-V221 HydrophobicContact CE-CG2 3.96Å; M211-V221 HydrophobicContact SD-CG1 3.91Å; M211-V221 HydrophobicContact SD-CG2 4.32Å; M211-K224 HydrophobicContact CE-CB 3.8Å; M211-L228 HydrophobicContact SD-CB 4.1Å; M211-L228 HydrophobicContact SD-CD1 3.88Å; M211-Y231 HydrophobicContact CG-CD2 3.71Å; M211-Y231 HydrophobicContact CG-CE2 3.74Å; M211-Y231 HydrophobicContact SD-CD2 4.39Å |
| 212 | S | 92.9 | Very high | 90.3 | Very high | 15 Ų | 15 | 45.8 Ų | 45.8 | 11% | 0.105 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.7 | -45.7 | 171.7 | 169.2 | 0 | 0 | 0 | 0 | 111.5 | F149 I208 N209 Q210 D214 G215 | F149-S212 PolarHBondContact N-OG 3.38Å; F149-S212 PolarHBondContact O-OG 2.83Å; I208-S212 PolarHBondContact O-N 3.15Å; N209-S212 WeakPolarHBondContact O-CB 3.41Å; N209-S212 PolarHBondContact O-N 3.44Å; Q210-S212 VanDerWaalsContact C-N 3.29Å; Q210-S212 PolarHBondContact O-N 2.87Å; S212-D214 PolarHBondContact O-N 2.89Å; S212-G215 WeakPolarHBondContact O-CA 3.46Å; S212-G215 PolarHBondContact O-N 3.1Å |
| 213 | A | 92 | Very high | 90 | Very high | 75 Ų | 75 | 45.5 Ų | 45.5 | 62% | 0.62 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -64.1 | -39.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113 | N209 Q210 G215 | N209-A213 PolarHBondContact O-N 2.86Å; Q210-A213 PolarHBondContact O-N 3.26Å; A213-G215 PolarHBondContact O-N 3.35Å; A213-G215 VanDerWaalsContact O-N 3.15Å |
| 214 | D | 92.3 | Very high | 89.7 | Confident | 90 Ų | 90 | 48.7 Ų | 48.7 | 48% | 0.481 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | 1.2 | 173.8 | -67.8 | -14.8 | 0 | 0 | 0 | 112.5 | Q210 S212 Q216 Y231 | Q210-D214 PolarHBondContact NE2-OD1 3.33Å; Q210-D214 PolarHBondContact NE2-OD2 2.86Å; Q210-D214 WeakPolarHBondContact O-CB 3.48Å; Q210-D214 PolarHBondContact O-N 3.31Å; S212-D214 PolarHBondContact O-N 2.89Å; D214-Q216 PolarHBondContact O-N 3.18Å; D214-Y231 VanDerWaalsContact OD2-CZ 3.32Å; D214-Y231 PolarHBondContact OD2-OH 2.82Å |
| 215 | G | 89.4 | Confident | 89.1 | Confident | 34 Ų | 34 | 51.2 Ų | 51.2 | 35% | 0.351 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.7 | 19 | 171.6 | 0 | 0 | 0 | 0 | 0 | 115 | N151 M211 S212 A213 | N151-G215 VanDerWaalsContact ND2-CA 3.32Å; N151-G215 WeakPolarHBondContact ND2-CA 3.41Å; M211-G215 PolarHBondContact O-N 3.1Å; S212-G215 WeakPolarHBondContact O-CA 3.46Å; S212-G215 PolarHBondContact O-N 3.1Å; A213-G215 PolarHBondContact O-N 3.35Å; A213-G215 VanDerWaalsContact O-N 3.15Å |
| 216 | Q | 90.8 | Very high | 88.8 | Confident | 53 Ų | 53 | 53.5 Ų | 53.5 | 25% | 0.248 | 31% | 0.309 | C | S | . | . | trans | -63.6 | 146.2 | 174.4 | -173.5 | 62.9 | -19.5 | 0 | 0 | 110.1 | Y148 M211 D214 V221 | Y148-Q216 PolarHBondContact OH-O 3.18Å; M211-Q216 HydrophobicContact CB-CB 4.45Å; M211-Q216 HydrophobicContact CE-CG 4.28Å; M211-Q216 VanDerWaalsContact O-CB 3.24Å; M211-Q216 WeakPolarHBondContact O-CB 3.43Å; M211-Q216 PolarHBondContact O-N 2.9Å; D214-Q216 PolarHBondContact O-N 3.18Å; Q216-V221 HydrophobicContact CG-CG2 4.25Å | ||
| 217 | R | 89.9 | Confident | 88.7 | Confident | 60 Ų | 60 | 54.3 Ų | 54.3 | 23% | 0.226 | 31% | 0.305 | C | S | . | . | trans | -85 | 135.4 | 171.7 | -171.5 | -179 | 176.2 | -163.1 | -3.4 | 109.7 | D150 F152 Y153 S219 Y220 | D150-R217 WeakPolarHBondContact OD2-CA 3.27Å; D150-R217 WeakPolarHBondContact OD2-CG 3.35Å; F152-R217 HydrophobicContact CB-CG 3.95Å; F152-R217 VanDerWaalsContact CE1-NH2 3.31Å; Y153-R217 PolarHBondContact OH-NH2 3.45Å; R217-S219 WeakPolarHBondContact CD-OG 3.5Å; R217-S219 PolarHBondContact NE-OG 3.38Å; R217-S219 PolarHBondContact O-N 3.01Å; R217-S219 VanDerWaalsContact O-N 3.13Å; R217-Y220 HydrophobicContact CB-CD2 3.75Å; R217-Y220 HydrophobicContact CB-CE2 4Å; R217-Y220 WeakPolarHBondContact O-CB 3.5Å; R217-Y220 PolarHBondContact O-N 3.37Å | ||
| 218 | I | 88.1 | Confident | 88.5 | Confident | 2 Ų | 2 | 54.4 Ų | 54.4 | 1% | 0.01 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -55.9 | -36.7 | -174.4 | -171.7 | 50.5 | 0 | 0 | 0 | 113.2 | Y148 D150 Y153 L157 L159 Y220 V221 P222 I256 Y258 | Y148-I218 HydrophobicContact CD1-CB 3.87Å; Y148-I218 HydrophobicContact CD1-CD1 4.15Å; Y148-I218 HydrophobicContact CD1-CG1 4.24Å; Y148-I218 HydrophobicContact CD2-CD1 4.28Å; Y148-I218 HydrophobicContact CE1-CB 3.64Å; Y148-I218 HydrophobicContact CE1-CD1 4.16Å; Y148-I218 HydrophobicContact CE1-CG1 4.33Å; Y148-I218 HydrophobicContact CE2-CD1 4.26Å; Y148-I218 HydrophobicContact CG-CD1 4.19Å; D150-I218 WeakPolarHBondContact OD2-CB 3.49Å; D150-I218 VanDerWaalsContact OD2-CG2 3.26Å; D150-I218 WeakPolarHBondContact OD2-CG2 3.37Å; D150-I218 PolarHBondContact OD2-N 2.9Å; Y153-I218 HydrophobicContact CE2-CG2 4.29Å; L157-I218 HydrophobicContact CD1-CG2 4Å; L159-I218 HydrophobicContact CD1-CD1 3.39Å; L159-I218 HydrophobicContact CD1-CG1 3.92Å; L159-I218 HydrophobicContact CD2-CD1 4.31Å; L159-I218 HydrophobicContact CD2-CG1 3.93Å; L159-I218 HydrophobicContact CG-CD1 4.49Å; I218-Y220 PolarHBondContact O-N 3.36Å; I218-V221 HydrophobicContact CD1-CB 4.06Å; I218-V221 HydrophobicContact CD1-CG2 3.83Å; I218-V221 WeakPolarHBondContact O-CB 3.43Å; I218-V221 PolarHBondContact O-N 3.12Å; I218-P222 WeakPolarHBondContact O-CD 3.43Å; I218-I256 HydrophobicContact CD1-CG2 4.34Å; I218-Y258 HydrophobicContact CG1-CE1 4.19Å; I218-Y258 HydrophobicContact CG2-CE1 3.97Å; I218-Y258 WeakPolarHBondContact CG2-OH 3.45Å |
| 219 | S | 85.7 | Confident | 88.3 | Confident | 49 Ų | 49 | 54.9 Ų | 54.9 | 34% | 0.343 | 31% | 0.309 | S | S | . | . | G | 310 helix | trans | -61.8 | -16.6 | 177.9 | 60.4 | 0 | 0 | 0 | 0 | 114.3 | R217 | R217-S219 WeakPolarHBondContact CD-OG 3.5Å; R217-S219 PolarHBondContact NE-OG 3.38Å; R217-S219 PolarHBondContact O-N 3.01Å; R217-S219 VanDerWaalsContact O-N 3.13Å |
| 220 | Y | 87.8 | Confident | 88.3 | Confident | 121 Ų | 121 | 57.6 Ų | 57.6 | 48% | 0.475 | 32% | 0.318 | S | S | . | . | G | 310 helix | trans | -99.4 | -10.4 | 175.8 | -57.4 | -44.8 | 0 | 0 | 0 | 113.2 | R217 I218 S223 K224 | R217-Y220 HydrophobicContact CB-CD2 3.75Å; R217-Y220 HydrophobicContact CB-CE2 4Å; R217-Y220 WeakPolarHBondContact O-CB 3.5Å; R217-Y220 PolarHBondContact O-N 3.37Å; I218-Y220 PolarHBondContact O-N 3.36Å; Y220-S223 PolarHBondContact O-N 3.23Å; Y220-S223 PolarHBondContact O-OG 2.89Å; Y220-K224 WeakPolarHBondContact O-CB 3.37Å; Y220-K224 WeakPolarHBondContact O-CG 3.38Å; Y220-K224 PolarHBondContact O-N 3.06Å |
| 221 | V | 85.6 | Confident | 88.3 | Confident | 1 Ų | 1 | 56.8 Ų | 56.8 | 1% | 0.006 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -60.5 | -41.8 | 179.2 | 177.2 | 0 | 0 | 0 | 0 | 112.4 | Y148 I208 M211 Q216 I218 S223 K224 I256 | Y148-V221 HydrophobicContact CE2-CG2 4.41Å; I208-V221 HydrophobicContact CD1-CG1 3.83Å; M211-V221 HydrophobicContact CE-CB 4.32Å; M211-V221 HydrophobicContact CE-CG1 4.06Å; M211-V221 HydrophobicContact CE-CG2 3.96Å; M211-V221 HydrophobicContact SD-CG1 3.91Å; M211-V221 HydrophobicContact SD-CG2 4.32Å; Q216-V221 HydrophobicContact CG-CG2 4.25Å; I218-V221 HydrophobicContact CD1-CB 4.06Å; I218-V221 HydrophobicContact CD1-CG2 3.83Å; I218-V221 WeakPolarHBondContact O-CB 3.43Å; I218-V221 PolarHBondContact O-N 3.12Å; V221-S223 VanDerWaalsContact C-N 3.25Å; V221-S223 PolarHBondContact O-N 2.97Å; V221-K224 PolarHBondContact O-N 3.37Å; V221-I256 HydrophobicContact CB-CD1 4.04Å; V221-I256 HydrophobicContact CG1-CD1 3.58Å |
| 222 | P | 80.6 | Confident | 88.4 | Confident | 64 Ų | 64 | 56.5 Ų | 56.5 | 42% | 0.416 | 31% | 0.31 | S | S | . | . | G | 310 helix | trans | -60.5 | -29.8 | 176.6 | -25.1 | 34.9 | 0 | 0 | 0 | 114.5 | I218 K224 I256 | I218-P222 WeakPolarHBondContact O-CD 3.43Å; P222-K224 VanDerWaalsContact C-N 3.28Å; P222-I256 HydrophobicContact CG-CB 4.28Å; P222-I256 HydrophobicContact CG-CD1 4.02Å; P222-I256 HydrophobicContact CG-CG1 4.18Å |
| 223 | S | 85.6 | Confident | 88.3 | Confident | 87 Ų | 87 | 56.7 Ų | 56.7 | 61% | 0.608 | 31% | 0.312 | S | S | * | . | G | 310 helix | trans | -87.4 | 4.1 | 177 | 62.4 | 0 | 0 | 0 | 0 | 113.7 | Y220 V221 | Y220-S223 PolarHBondContact O-N 3.23Å; Y220-S223 PolarHBondContact O-OG 2.89Å; V221-S223 VanDerWaalsContact C-N 3.25Å; V221-S223 PolarHBondContact O-N 2.97Å |
| 224 | K | 87.5 | Confident | 88.3 | Confident | 71 Ų | 71 | 57.4 Ų | 57.4 | 31% | 0.309 | 31% | 0.305 | S | S | . | . | trans | -119 | 40 | -175 | -70.6 | -74.7 | -178.8 | -172.3 | 0 | 111.6 | M211 Y220 V221 P222 L226 E227 L228 | M211-K224 HydrophobicContact CE-CB 3.8Å; Y220-K224 WeakPolarHBondContact O-CB 3.37Å; Y220-K224 WeakPolarHBondContact O-CG 3.38Å; Y220-K224 PolarHBondContact O-N 3.06Å; V221-K224 PolarHBondContact O-N 3.37Å; P222-K224 VanDerWaalsContact C-N 3.28Å; K224-L226 VanDerWaalsContact C-N 3.27Å; K224-L226 PolarHBondContact O-N 3.06Å; K224-E227 WeakPolarHBondContact CA-OE2 3.4Å; K224-E227 HydrophobicContact CD-CG 4.28Å; K224-E227 WeakPolarHBondContact CD-OE1 3.49Å; K224-E227 WeakPolarHBondContact CD-OE2 3.44Å; K224-E227 WeakPolarHBondContact CE-OE1 3.15Å; K224-E227 IonicContact NZ-OE1 2.64Å; K224-E227 PolarHBondContact NZ-OE1 3.41Å; K224-E227 PolarHBondContact O-N 3.29Å; K224-L228 WeakPolarHBondContact O-CB 3.15Å; K224-L228 PolarHBondContact O-N 3.13Å | ||
| 225 | S | 80.3 | Confident | 88.4 | Confident | 55 Ų | 55 | 55.2 Ų | 55.2 | 39% | 0.385 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -60.4 | -33.1 | -179 | 53.6 | 0 | 0 | 0 | 0 | 113.2 | S229 | S225-S229 VanDerWaalsContact O-CB 3.27Å; S225-S229 WeakPolarHBondContact O-CB 3.48Å; S225-S229 PolarHBondContact O-N 2.86Å; S225-S229 PolarHBondContact O-OG 3.43Å |
| 226 | L | 86 | Confident | 88.6 | Confident | 133 Ų | 133 | 53.9 Ų | 53.9 | 70% | 0.696 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -71.5 | -44.4 | 178.1 | -174.2 | 138.3 | 0 | 0 | 0 | 111.7 | K224 S229 K230 | K224-L226 VanDerWaalsContact C-N 3.27Å; K224-L226 PolarHBondContact O-N 3.06Å; L226-S229 PolarHBondContact O-N 2.85Å; L226-K230 PolarHBondContact O-N 3.32Å |
| 227 | E | 89.2 | Confident | 88.5 | Confident | 64 Ų | 64 | 53.4 Ų | 53.4 | 30% | 0.299 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -64.2 | -43.9 | 173.5 | -64.5 | 91.7 | 150.6 | 0 | 0 | 111.5 | K224 S229 K230 Y231 | K224-E227 WeakPolarHBondContact CA-OE2 3.4Å; K224-E227 HydrophobicContact CD-CG 4.28Å; K224-E227 WeakPolarHBondContact CD-OE1 3.49Å; K224-E227 WeakPolarHBondContact CD-OE2 3.44Å; K224-E227 WeakPolarHBondContact CE-OE1 3.15Å; K224-E227 IonicContact NZ-OE1 2.64Å; K224-E227 PolarHBondContact NZ-OE1 3.41Å; K224-E227 PolarHBondContact O-N 3.29Å; E227-S229 PolarHBondContact O-N 2.94Å; E227-K230 WeakPolarHBondContact O-CB 3.49Å; E227-K230 PolarHBondContact O-N 3.1Å; E227-Y231 HydrophobicContact CB-CE2 4.23Å; E227-Y231 WeakPolarHBondContact O-CD2 3.34Å; E227-Y231 PolarHBondContact O-N 3.02Å |
| 228 | L | 88.8 | Confident | 88.4 | Confident | 2 Ų | 2 | 56.3 Ų | 56.3 | 1% | 0.01 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.6 | -43.2 | 174.6 | 179.7 | 63.6 | 0 | 0 | 0 | 112.2 | L204 A207 I208 M211 K224 K230 Y231 L232 V251 V253 | L204-L228 HydrophobicContact CD1-CD1 4.15Å; L204-L228 HydrophobicContact CD1-CD2 4.4Å; A207-L228 HydrophobicContact CB-CD1 3.97Å; I208-L228 HydrophobicContact CD1-CD1 3.83Å; I208-L228 HydrophobicContact CG1-CD1 4.17Å; M211-L228 HydrophobicContact SD-CB 4.1Å; M211-L228 HydrophobicContact SD-CD1 3.88Å; K224-L228 WeakPolarHBondContact O-CB 3.15Å; K224-L228 PolarHBondContact O-N 3.13Å; L228-K230 VanDerWaalsContact C-N 3.29Å; L228-K230 PolarHBondContact O-N 2.83Å; L228-Y231 PolarHBondContact O-N 2.93Å; L228-L232 VanDerWaalsContact O-CB 3.28Å; L228-L232 WeakPolarHBondContact O-CB 3.46Å; L228-L232 PolarHBondContact O-N 2.91Å; L228-V251 HydrophobicContact CD2-CG1 4.37Å; L228-V253 HydrophobicContact CD2-CG2 3.47Å; L228-V253 VanDerWaalsContact CD2-CG2 3.47Å |
| 229 | S | 87.9 | Confident | 88.4 | Confident | 16 Ų | 16 | 57.9 Ų | 57.9 | 11% | 0.112 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.2 | -39 | 176.4 | -58.6 | 0 | 0 | 0 | 0 | 111.3 | S225 L226 E227 L232 S233 V251 | S225-S229 VanDerWaalsContact O-CB 3.27Å; S225-S229 WeakPolarHBondContact O-CB 3.48Å; S225-S229 PolarHBondContact O-N 2.86Å; S225-S229 PolarHBondContact O-OG 3.43Å; L226-S229 PolarHBondContact O-N 2.85Å; E227-S229 PolarHBondContact O-N 2.94Å; S229-L232 PolarHBondContact O-N 3.37Å; S229-S233 PolarHBondContact O-N 2.85Å; S229-V251 PolarHBondContact OG-N 3.14Å |
| 230 | K | 90.9 | Very high | 88.8 | Confident | 129 Ų | 129 | 55.7 Ų | 55.7 | 56% | 0.561 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -65 | -54.8 | 176.2 | -170.6 | -164.1 | 169.3 | -161.6 | 0 | 111.4 | L226 E227 L228 L232 S233 D234 | L226-K230 PolarHBondContact O-N 3.32Å; E227-K230 WeakPolarHBondContact O-CB 3.49Å; E227-K230 PolarHBondContact O-N 3.1Å; L228-K230 VanDerWaalsContact C-N 3.29Å; L228-K230 PolarHBondContact O-N 2.83Å; K230-L232 PolarHBondContact O-N 2.74Å; K230-S233 PolarHBondContact O-N 2.89Å; K230-S233 VanDerWaalsContact O-N 3.08Å; K230-D234 WeakPolarHBondContact CE-OD2 3.31Å; K230-D234 IonicContact NZ-OD2 3.98Å; K230-D234 VanDerWaalsContact O-CG 3.27Å; K230-D234 PolarHBondContact O-N 2.77Å |
| 231 | Y | 92.5 | Very high | 89.1 | Confident | 65 Ų | 65 | 53.6 Ų | 53.6 | 26% | 0.255 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -58.1 | -31.3 | 177.9 | -67.9 | -60.9 | 0 | 0 | 0 | 112.1 | Q210 M211 D214 E227 L228 A235 | Q210-Y231 HydrophobicContact CB-CD1 4.26Å; Q210-Y231 HydrophobicContact CG-CD1 3.67Å; Q210-Y231 HydrophobicContact CG-CE1 3.57Å; Q210-Y231 HydrophobicContact CG-CG 4.42Å; M211-Y231 HydrophobicContact CG-CD2 3.71Å; M211-Y231 HydrophobicContact CG-CE2 3.74Å; M211-Y231 HydrophobicContact SD-CD2 4.39Å; D214-Y231 VanDerWaalsContact OD2-CZ 3.32Å; D214-Y231 PolarHBondContact OD2-OH 2.82Å; E227-Y231 HydrophobicContact CB-CE2 4.23Å; E227-Y231 WeakPolarHBondContact O-CD2 3.34Å; E227-Y231 PolarHBondContact O-N 3.02Å; L228-Y231 PolarHBondContact O-N 2.93Å; Y231-A235 VanDerWaalsContact O-CB 3.23Å; Y231-A235 WeakPolarHBondContact O-CB 3.48Å; Y231-A235 PolarHBondContact O-N 3.31Å |
| 232 | L | 92.7 | Very high | 89.4 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -72.8 | -40.3 | 175.7 | -174.2 | 58.8 | 0 | 0 | 0 | 113.1 | F200 G203 L204 A207 L228 S229 K230 A235 L236 I248 V251 | F200-L232 HydrophobicContact CD2-CD2 3.85Å; F200-L232 HydrophobicContact CE2-CD2 3.29Å; F200-L232 HydrophobicContact CZ-CD2 3.74Å; G203-L232 WeakPolarHBondContact O-CD1 3.39Å; L204-L232 HydrophobicContact CB-CD1 4.43Å; A207-L232 HydrophobicContact CB-CB 4.28Å; L228-L232 VanDerWaalsContact O-CB 3.28Å; L228-L232 WeakPolarHBondContact O-CB 3.46Å; L228-L232 PolarHBondContact O-N 2.91Å; S229-L232 PolarHBondContact O-N 3.37Å; K230-L232 PolarHBondContact O-N 2.74Å; L232-A235 PolarHBondContact O-N 3.06Å; L232-L236 HydrophobicContact CD1-CD1 3.72Å; L232-L236 HydrophobicContact CD1-CG 4.17Å; L232-L236 HydrophobicContact CG-CD1 3.93Å; L232-L236 WeakPolarHBondContact O-CB 3.49Å; L232-L236 WeakPolarHBondContact O-CG 3.27Å; L232-L236 PolarHBondContact O-N 2.94Å; L232-I248 HydrophobicContact CD2-CD1 4.43Å; L232-I248 HydrophobicContact CD2-CG1 4.45Å; L232-I248 HydrophobicContact CG-CG1 4.4Å; L232-V251 HydrophobicContact CD2-CG2 3.48Å; L232-V251 VanDerWaalsContact CD2-CG2 3.48Å |
| 233 | S | 90.9 | Very high | 89.9 | Confident | 19 Ų | 19 | 61.7 Ų | 61.7 | 13% | 0.133 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63 | -50.5 | 171.8 | -161.5 | 0 | 0 | 0 | 0 | 110.2 | S229 K230 A235 L236 D237 | S229-S233 PolarHBondContact O-N 2.85Å; K230-S233 PolarHBondContact O-N 2.89Å; K230-S233 VanDerWaalsContact O-N 3.08Å; S233-A235 PolarHBondContact O-N 2.8Å; S233-A235 VanDerWaalsContact O-N 3.08Å; S233-L236 CarbonylContact O-C 3.54Å; S233-L236 PolarHBondContact O-N 3.13Å; S233-D237 PolarHBondContact O-N 3.31Å; S233-D237 VanDerWaalsContact O-OD1 3.05Å; S233-D237 PolarHBondContact OG-OD1 3.47Å |
| 234 | D | 92.8 | Very high | 90.3 | Very high | 90 Ų | 90 | 59.9 Ų | 59.9 | 48% | 0.481 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -55.3 | -31.7 | 178.4 | -64 | -13.3 | 0 | 0 | 0 | 111.7 | K230 | K230-D234 WeakPolarHBondContact CE-OD2 3.31Å; K230-D234 IonicContact NZ-OD2 3.98Å; K230-D234 VanDerWaalsContact O-CG 3.27Å; K230-D234 PolarHBondContact O-N 2.77Å |
| 235 | A | 92.9 | Very high | 90.6 | Very high | 44 Ų | 44 | 56.5 Ų | 56.5 | 36% | 0.364 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -10 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | A206 Y231 L232 S233 | A206-A235 HydrophobicContact CB-CB 4.16Å; Y231-A235 VanDerWaalsContact O-CB 3.23Å; Y231-A235 WeakPolarHBondContact O-CB 3.48Å; Y231-A235 PolarHBondContact O-N 3.31Å; L232-A235 PolarHBondContact O-N 3.06Å; S233-A235 PolarHBondContact O-N 2.8Å; S233-A235 VanDerWaalsContact O-N 3.08Å |
| 236 | L | 93.7 | Very high | 91.3 | Very high | 7 Ų | 7 | 54 Ų | 54 | 4% | 0.037 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -121.7 | -7.5 | -177.8 | -66.6 | 176.4 | 0 | 0 | 0 | 113.8 | L232 S233 D238 S239 W240 I248 | L232-L236 HydrophobicContact CD1-CD1 3.72Å; L232-L236 HydrophobicContact CD1-CG 4.17Å; L232-L236 HydrophobicContact CG-CD1 3.93Å; L232-L236 WeakPolarHBondContact O-CB 3.49Å; L232-L236 WeakPolarHBondContact O-CG 3.27Å; L232-L236 PolarHBondContact O-N 2.94Å; S233-L236 CarbonylContact O-C 3.54Å; S233-L236 PolarHBondContact O-N 3.13Å; L236-D238 PolarHBondContact O-N 3.18Å; L236-S239 PolarHBondContact O-N 3.4Å; L236-S239 VanDerWaalsContact O-N 3.07Å; L236-S239 PolarHBondContact O-OG 3.13Å; L236-S239 VanDerWaalsContact O-OG 3.1Å; L236-W240 HydrophobicContact CB-CD2 4.44Å; L236-W240 HydrophobicContact CB-CG 4.28Å; L236-W240 HydrophobicContact CD1-CD2 4.27Å; L236-W240 HydrophobicContact CD1-CE3 4.42Å; L236-W240 HydrophobicContact CD1-CH2 4.4Å; L236-W240 HydrophobicContact CD1-CZ2 4.25Å; L236-W240 HydrophobicContact CD1-CZ3 4.49Å; L236-W240 WeakPolarHBondContact O-CB 3.26Å; L236-W240 PolarHBondContact O-N 2.78Å; L236-I248 HydrophobicContact CD1-CG1 3.99Å |
| 237 | D | 89.5 | Confident | 91.7 | Very high | 43 Ų | 43 | 50 Ų | 50 | 23% | 0.23 | 25% | 0.252 | C | S | . | . | I | π-helix | trans | -54.8 | -47.6 | -177.2 | -94.2 | 23.9 | 0 | 0 | 0 | 111.7 | S233 S239 K241 E242 | S233-D237 PolarHBondContact O-N 3.31Å; S233-D237 VanDerWaalsContact O-OD1 3.05Å; S233-D237 PolarHBondContact OG-OD1 3.47Å; D237-S239 VanDerWaalsContact C-N 3.33Å; D237-S239 PolarHBondContact O-N 3.44Å; D237-K241 HydrophobicContact CB-CB 4.41Å; D237-K241 HydrophobicContact CB-CD 4.44Å; D237-K241 WeakPolarHBondContact O-CA 3.48Å; D237-K241 WeakPolarHBondContact O-CB 3.19Å; D237-K241 PolarHBondContact O-N 3.4Å; D237-K241 IonicContact OD2-NZ 3.75Å; D237-E242 PolarHBondContact O-N 2.77Å |
| 238 | D | 88.2 | Confident | 91.9 | Very high | 120 Ų | 120 | 47.4 Ų | 47.4 | 64% | 0.642 | 24% | 0.24 | S | C | * | . | I | π-helix | trans | -57.3 | -40.7 | 175.9 | -68.6 | 10.9 | 0 | 0 | 0 | 113 | L236 L243 | L236-D238 PolarHBondContact O-N 3.18Å; D238-L243 WeakPolarHBondContact O-CG 3.44Å |
| 239 | S | 88.2 | Confident | 92 | Very high | 35 Ų | 35 | 50 Ų | 50 | 25% | 0.245 | 26% | 0.256 | C | S | . | . | I | π-helix | trans | -88.1 | -31.7 | -173 | 59.6 | 0 | 0 | 0 | 0 | 113.5 | L236 D237 R244 | L236-S239 PolarHBondContact O-N 3.4Å; L236-S239 VanDerWaalsContact O-N 3.07Å; L236-S239 PolarHBondContact O-OG 3.13Å; L236-S239 VanDerWaalsContact O-OG 3.1Å; D237-S239 VanDerWaalsContact C-N 3.33Å; D237-S239 PolarHBondContact O-N 3.44Å; S239-R244 WeakPolarHBondContact O-CG 3.37Å |
| 240 | W | 94.2 | Very high | 92.1 | Very high | 3 Ų | 3 | 51.5 Ų | 51.5 | 1% | 0.011 | 27% | 0.266 | C | S | . | . | I | π-helix | trans | -107 | -46 | -173.4 | -74.4 | 22.4 | 0 | 0 | 0 | 112.2 | Y165 I167 Y196 E199 F200 L236 R244 G245 M246 I248 | Y165-W240 AromaticContact CE2-CH2 3.88Å; Y165-W240 HydrophobicContact CE2-CH2 3.88Å; Y165-W240 HydrophobicContact CE2-CZ3 4.25Å; I167-W240 HydrophobicContact CG2-CE3 4.45Å; I167-W240 HydrophobicContact CG2-CH2 4.41Å; I167-W240 HydrophobicContact CG2-CZ3 3.62Å; Y196-W240 WeakPolarHBondContact O-CZ2 3.34Å; E199-W240 HydrophobicContact CB-CZ2 4.47Å; E199-W240 PolarHBondContact OE2-NE1 2.92Å; F200-W240 HydrophobicContact CB-CH2 4.12Å; F200-W240 HydrophobicContact CB-CZ2 4.08Å; F200-W240 HydrophobicContact CD2-CH2 4.3Å; L236-W240 HydrophobicContact CB-CD2 4.44Å; L236-W240 HydrophobicContact CB-CG 4.28Å; L236-W240 HydrophobicContact CD1-CD2 4.27Å; L236-W240 HydrophobicContact CD1-CE3 4.42Å; L236-W240 HydrophobicContact CD1-CH2 4.4Å; L236-W240 HydrophobicContact CD1-CZ2 4.25Å; L236-W240 HydrophobicContact CD1-CZ3 4.49Å; L236-W240 WeakPolarHBondContact O-CB 3.26Å; L236-W240 PolarHBondContact O-N 2.78Å; W240-R244 CarbonylContact O-C 3.58Å; W240-R244 VanDerWaalsContact O-C 3.24Å; W240-R244 VanDerWaalsContact O-CA 3.25Å; W240-R244 WeakPolarHBondContact O-CA 3.47Å; W240-R244 VanDerWaalsContact O-CB 3.23Å; W240-R244 WeakPolarHBondContact O-CB 3.49Å; W240-R244 PolarHBondContact O-N 3.5Å; W240-G245 PolarHBondContact O-N 3.26Å; W240-M246 CarbonylContact C-O 3.57Å; W240-M246 HydrophobicContact CB-CG 4.24Å; W240-M246 WeakPolarHBondContact CB-O 3.43Å; W240-M246 HydrophobicContact CD2-CE 3.83Å; W240-M246 HydrophobicContact CE3-CE 4.09Å; W240-M246 HydrophobicContact CE3-CG 4.41Å; W240-M246 HydrophobicContact CG-CE 4.02Å; W240-M246 PolarHBondContact O-N 3.1Å; W240-M246 VanDerWaalsContact O-N 3.15Å; W240-I248 HydrophobicContact CE3-CD1 4.23Å; W240-I248 HydrophobicContact CE3-CG1 4.12Å; W240-I248 HydrophobicContact CH2-CD1 3.99Å; W240-I248 HydrophobicContact CZ3-CD1 3.43Å; W240-I248 VanDerWaalsContact CZ3-CD1 3.43Å; W240-I248 HydrophobicContact CZ3-CG1 3.81Å |
| 241 | K | 92.6 | Very high | 92.1 | Very high | 77 Ų | 77 | 45.5 Ų | 45.5 | 34% | 0.335 | 24% | 0.241 | S | C | . | . | I | π-helix | trans | -77.1 | -54.4 | -175.9 | -160.7 | 171.7 | -173.3 | 146.7 | 0 | 110.3 | D237 G245 M246 E247 | D237-K241 HydrophobicContact CB-CB 4.41Å; D237-K241 HydrophobicContact CB-CD 4.44Å; D237-K241 WeakPolarHBondContact O-CA 3.48Å; D237-K241 WeakPolarHBondContact O-CB 3.19Å; D237-K241 PolarHBondContact O-N 3.4Å; D237-K241 IonicContact OD2-NZ 3.75Å; K241-G245 PolarHBondContact O-N 3.45Å; K241-M246 WeakPolarHBondContact CA-O 3.46Å; K241-M246 PolarHBondContact N-O 3.35Å; K241-E247 VanDerWaalsContact CE-OE2 3.31Å; K241-E247 WeakPolarHBondContact CE-OE2 3.5Å; K241-E247 IonicContact NZ-OE2 2.69Å; K241-E247 PolarHBondContact NZ-OE2 2.99Å |
| 242 | E | 92.2 | Very high | 91.8 | Very high | 144 Ų | 144 | 44.8 Ų | 44.8 | 67% | 0.673 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -73.7 | -31.4 | -177.7 | -59.1 | -157.3 | 151 | 0 | 0 | 113.9 | L174 D237 | L174-E242 WeakPolarHBondContact CD2-O 3.47Å; D237-E242 PolarHBondContact O-N 2.77Å |
| 243 | L | 91.9 | Very high | 91.4 | Very high | 91 Ų | 91 | 46.1 Ų | 46.1 | 48% | 0.476 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -108.2 | -13.1 | -174.5 | -62.9 | 177.8 | 0 | 0 | 0 | 115 | N178 D238 | N178-L243 PolarHBondContact ND2-O 2.84Å; D238-L243 WeakPolarHBondContact O-CG 3.44Å |
| 244 | R | 92.9 | Very high | 90.8 | Very high | 50 Ų | 50 | 48.6 Ų | 48.6 | 19% | 0.189 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -132 | -9.2 | -179.2 | -52.7 | -70 | -179.4 | -85.9 | -14.8 | 114.4 | F175 Y196 S239 W240 M246 | F175-R244 WeakPolarHBondContact CA-O 3.47Å; F175-R244 VanDerWaalsContact CB-O 3.3Å; F175-R244 WeakPolarHBondContact CB-O 3.2Å; F175-R244 WeakPolarHBondContact CD2-O 3.14Å; F175-R244 PolarHBondContact N-O 3.46Å; Y196-R244 HydrophobicContact CE1-CG 4.08Å; Y196-R244 WeakPolarHBondContact OH-CD 3.17Å; S239-R244 WeakPolarHBondContact O-CG 3.37Å; W240-R244 CarbonylContact O-C 3.58Å; W240-R244 VanDerWaalsContact O-C 3.24Å; W240-R244 VanDerWaalsContact O-CA 3.25Å; W240-R244 WeakPolarHBondContact O-CA 3.47Å; W240-R244 VanDerWaalsContact O-CB 3.23Å; W240-R244 WeakPolarHBondContact O-CB 3.49Å; W240-R244 PolarHBondContact O-N 3.5Å; R244-M246 HydrophobicContact CB-CE 4.08Å; R244-M246 HydrophobicContact CB-CG 4.12Å; R244-M246 HydrophobicContact CG-CE 4.32Å |
| 245 | G | 94.7 | Very high | 90.2 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 27% | 0.268 | C | S | . | . | S | Bend | trans | 68.7 | 29.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | T170 D171 W240 K241 | T170-G245 PolarHBondContact N-O 3.05Å; T170-G245 PolarHBondContact OG1-O 3.36Å; D171-G245 PolarHBondContact N-O 3.41Å; W240-G245 PolarHBondContact O-N 3.26Å; K241-G245 PolarHBondContact O-N 3.45Å |
| 246 | M | 95 | Very high | 89.8 | Confident | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 155.9 | 175.9 | 63.4 | 179.9 | -178.7 | 0 | 0 | 111.6 | I167 K168 F175 Y196 W240 K241 R244 | I167-M246 HydrophobicContact CD1-SD 3.99Å; K168-M246 CarbonylContact O-C 3.59Å; K168-M246 VanDerWaalsContact O-CA 3.27Å; K168-M246 WeakPolarHBondContact O-CA 3.22Å; F175-M246 HydrophobicContact CD2-CB 4.23Å; F175-M246 HydrophobicContact CD2-CG 4.43Å; F175-M246 HydrophobicContact CD2-SD 4.2Å; F175-M246 HydrophobicContact CE2-CB 4.45Å; F175-M246 HydrophobicContact CE2-SD 3.76Å; Y196-M246 HydrophobicContact CD1-CE 3.56Å; Y196-M246 HydrophobicContact CD2-CE 3.99Å; Y196-M246 HydrophobicContact CE1-CE 3.59Å; Y196-M246 HydrophobicContact CE2-CE 4.02Å; Y196-M246 HydrophobicContact CG-CE 3.79Å; W240-M246 CarbonylContact C-O 3.57Å; W240-M246 HydrophobicContact CB-CG 4.24Å; W240-M246 WeakPolarHBondContact CB-O 3.43Å; W240-M246 HydrophobicContact CD2-CE 3.83Å; W240-M246 HydrophobicContact CE3-CE 4.09Å; W240-M246 HydrophobicContact CE3-CG 4.41Å; W240-M246 HydrophobicContact CG-CE 4.02Å; W240-M246 PolarHBondContact O-N 3.1Å; W240-M246 VanDerWaalsContact O-N 3.15Å; K241-M246 WeakPolarHBondContact CA-O 3.46Å; K241-M246 PolarHBondContact N-O 3.35Å; R244-M246 HydrophobicContact CB-CE 4.08Å; R244-M246 HydrophobicContact CB-CG 4.12Å; R244-M246 HydrophobicContact CG-CE 4.32Å |
| 247 | E | 94.4 | Very high | 89.4 | Confident | 49 Ų | 49 | 46.7 Ų | 46.7 | 23% | 0.229 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 159.1 | 177.8 | 73.1 | -170.7 | 177.9 | 0 | 0 | 112.3 | I167 K168 T170 K241 | I167-E247 CarbonylContact C-O 3.47Å; I167-E247 VanDerWaalsContact CA-O 3.23Å; I167-E247 WeakPolarHBondContact CA-O 3.35Å; K168-E247 PolarHBondContact N-O 3.02Å; K168-E247 PolarHBondContact O-N 3.49Å; T170-E247 HydrophobicContact CG2-CB 4.33Å; T170-E247 HydrophobicContact CG2-CG 3.66Å; T170-E247 WeakPolarHBondContact CG2-OE1 3.26Å; K241-E247 VanDerWaalsContact CE-OE2 3.31Å; K241-E247 WeakPolarHBondContact CE-OE2 3.5Å; K241-E247 IonicContact NZ-OE2 2.69Å; K241-E247 PolarHBondContact NZ-OE2 2.99Å |
| 248 | I | 92.8 | Very high | 89.3 | Confident | 11 Ų | 11 | 47.3 Ų | 47.3 | 6% | 0.056 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 126.9 | 169.7 | -70.1 | -73 | 0 | 0 | 0 | 108.9 | Y165 I167 F200 L232 L236 W240 V251 | Y165-I248 HydrophobicContact CD2-CD1 3.58Å; Y165-I248 HydrophobicContact CE2-CD1 4.13Å; Y165-I248 HydrophobicContact CG-CD1 4.27Å; I167-I248 HydrophobicContact CG2-CD1 4.22Å; F200-I248 HydrophobicContact CD2-CD1 3.82Å; F200-I248 HydrophobicContact CE2-CD1 3.91Å; L232-I248 HydrophobicContact CD2-CD1 4.43Å; L232-I248 HydrophobicContact CD2-CG1 4.45Å; L232-I248 HydrophobicContact CG-CG1 4.4Å; L236-I248 HydrophobicContact CD1-CG1 3.99Å; W240-I248 HydrophobicContact CE3-CD1 4.23Å; W240-I248 HydrophobicContact CE3-CG1 4.12Å; W240-I248 HydrophobicContact CH2-CD1 3.99Å; W240-I248 HydrophobicContact CZ3-CD1 3.43Å; W240-I248 VanDerWaalsContact CZ3-CD1 3.43Å; W240-I248 HydrophobicContact CZ3-CG1 3.81Å; I248-V251 HydrophobicContact CG2-CG2 3.99Å |
| 249 | V | 91.3 | Very high | 89.2 | Confident | 57 Ų | 57 | 42.5 Ų | 42.5 | 35% | 0.345 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | -43.1 | 175.4 | 179.3 | 0 | 0 | 0 | 0 | 111.4 | E134 S166 K168 | E134-V249 HydrophobicContact CG-CB 4.05Å; E134-V249 HydrophobicContact CG-CG1 4.01Å; E134-V249 HydrophobicContact CG-CG2 4.18Å; S166-V249 PolarHBondContact O-N 2.8Å; K168-V249 HydrophobicContact CB-CG2 3.47Å; K168-V249 VanDerWaalsContact CB-CG2 3.47Å |
| 250 | S | 89.9 | Confident | 89 | Confident | 46 Ų | 46 | 45.3 Ų | 45.3 | 32% | 0.322 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 153.2 | 178.3 | 77 | 0 | 0 | 0 | 0 | 113 | Y165 S166 | Y165-S250 CarbonylContact C-O 3.57Å; Y165-S250 VanDerWaalsContact CA-O 3.22Å; Y165-S250 WeakPolarHBondContact CA-O 3.27Å; Y165-S250 WeakPolarHBondContact CB-O 3.14Å; S166-S250 PolarHBondContact N-O 2.91Å; S166-S250 PolarHBondContact OG-N 3.43Å; S166-S250 PolarHBondContact OG-OG 3.09Å |
| 251 | V | 90.4 | Very high | 88.6 | Confident | 4 Ų | 4 | 50 Ų | 50 | 2% | 0.024 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 118.9 | 172.8 | -172.7 | 0 | 0 | 0 | 0 | 109.1 | F140 F200 L228 S229 L232 I248 V253 | F140-V251 HydrophobicContact CE1-CG1 4.19Å; F140-V251 HydrophobicContact CZ-CG1 4.41Å; F200-V251 HydrophobicContact CE2-CG2 4.48Å; F200-V251 HydrophobicContact CZ-CG1 4.35Å; L228-V251 HydrophobicContact CD2-CG1 4.37Å; S229-V251 PolarHBondContact OG-N 3.14Å; L232-V251 HydrophobicContact CD2-CG2 3.48Å; L232-V251 VanDerWaalsContact CD2-CG2 3.48Å; I248-V251 HydrophobicContact CG2-CG2 3.99Å; V251-V253 HydrophobicContact CG1-CG2 4.05Å |
| 252 | A | 87.3 | Confident | 88.4 | Confident | 50 Ų | 50 | 46.4 Ų | 46.4 | 41% | 0.413 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 97.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | G163 T164 A254 | G163-A252 VanDerWaalsContact CA-O 3.31Å; G163-A252 WeakPolarHBondContact CA-O 3.45Å; T164-A252 PolarHBondContact N-O 2.66Å; T164-A252 CarbonylContact O-C 3.55Å; T164-A252 PolarHBondContact O-N 2.75Å; A252-A254 PolarHBondContact O-N 3.02Å |
| 253 | V | 84.8 | Confident | 88.1 | Confident | 27 Ų | 27 | 42 Ų | 42 | 16% | 0.164 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 113.5 | 174.4 | -167.9 | 0 | 0 | 0 | 0 | 108.6 | F140 A161 L228 V251 S255 I256 | F140-V253 HydrophobicContact CZ-CG2 4.29Å; A161-V253 HydrophobicContact CB-CG1 4.33Å; L228-V253 HydrophobicContact CD2-CG2 3.47Å; L228-V253 VanDerWaalsContact CD2-CG2 3.47Å; V251-V253 HydrophobicContact CG1-CG2 4.05Å; V253-S255 WeakPolarHBondContact CG1-O 3.17Å; V253-I256 HydrophobicContact CG1-CD1 4.26Å; V253-I256 HydrophobicContact CG1-CG1 3.59Å |
| 254 | A | 77.8 | Confident | 87.8 | Confident | 71 Ų | 71 | 43.6 Ų | 43.6 | 59% | 0.587 | 25% | 0.249 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -72.2 | -40.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | H162 A252 | H162-A254 PolarHBondContact O-N 3.23Å; A252-A254 PolarHBondContact O-N 3.02Å |
| 255 | S | 79.8 | Confident | 87.4 | Confident | 40 Ų | 40 | 45.4 Ų | 45.4 | 28% | 0.28 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 153.4 | 162.7 | 81.9 | 0 | 0 | 0 | 0 | 112.4 | A161 H162 V253 | A161-S255 WeakPolarHBondContact CA-O 3.47Å; H162-S255 PolarHBondContact CE1-OG 2.99Å; H162-S255 PolarHBondContact N-O 2.77Å; H162-S255 PolarHBondContact O-N 3.04Å; V253-S255 WeakPolarHBondContact CG1-O 3.17Å |
| 256 | I | 84.7 | Confident | 87 | Confident | 27 Ų | 27 | 46 Ų | 46 | 14% | 0.138 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 117.1 | 160.5 | -56.8 | -178.3 | 0 | 0 | 0 | 105.5 | L159 R160 A161 I218 V221 P222 V253 | L159-I256 HydrophobicContact CB-CG2 4.19Å; L159-I256 HydrophobicContact CD1-CG2 4.21Å; L159-I256 HydrophobicContact CD2-CG2 4.27Å; L159-I256 HydrophobicContact CG-CG2 4.47Å; R160-I256 WeakPolarHBondContact O-CA 3.13Å; A161-I256 HydrophobicContact CB-CG1 4.44Å; I218-I256 HydrophobicContact CD1-CG2 4.34Å; V221-I256 HydrophobicContact CB-CD1 4.04Å; V221-I256 HydrophobicContact CG1-CD1 3.58Å; P222-I256 HydrophobicContact CG-CB 4.28Å; P222-I256 HydrophobicContact CG-CD1 4.02Å; P222-I256 HydrophobicContact CG-CG1 4.18Å; V253-I256 HydrophobicContact CG1-CD1 4.26Å; V253-I256 HydrophobicContact CG1-CG1 3.59Å |
| 257 | S | 84.8 | Confident | 86.5 | Confident | 34 Ų | 34 | 49.8 Ų | 49.8 | 24% | 0.238 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 160.2 | 176 | 57.7 | 0 | 0 | 0 | 0 | 110.2 | L159 R160 | L159-S257 CarbonylContact C-O 3.21Å; L159-S257 WeakPolarHBondContact CA-O 3.4Å; R160-S257 PolarHBondContact N-O 2.79Å; R160-S257 PolarHBondContact O-N 3.46Å |
| 258 | Y | 87.6 | Confident | 85.8 | Confident | 57 Ų | 57 | 53.6 Ų | 53.6 | 22% | 0.224 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 157.3 | -179.7 | -55.5 | -76.2 | 0 | 0 | 0 | 110.2 | L157 L159 R160 I218 T263 I266 | L157-Y258 HydrophobicContact CD1-CE1 4.29Å; L159-Y258 HydrophobicContact CD2-CD1 3.49Å; L159-Y258 VanDerWaalsContact CD2-CD1 3.49Å; L159-Y258 HydrophobicContact CD2-CE1 3.67Å; R160-Y258 PolarHBondContact NH1-O 3.37Å; I218-Y258 HydrophobicContact CG1-CE1 4.19Å; I218-Y258 HydrophobicContact CG2-CE1 3.97Å; I218-Y258 WeakPolarHBondContact CG2-OH 3.45Å; Y258-T263 WeakPolarHBondContact CB-OG1 3.25Å; Y258-I266 HydrophobicContact CD1-CD1 3.44Å; Y258-I266 VanDerWaalsContact CD1-CD1 3.44Å; Y258-I266 HydrophobicContact CD2-CD1 3.91Å; Y258-I266 HydrophobicContact CE1-CD1 3.49Å; Y258-I266 VanDerWaalsContact CE1-CD1 3.49Å; Y258-I266 HydrophobicContact CE2-CD1 3.95Å; Y258-I266 HydrophobicContact CG-CD1 3.68Å |
| 259 | T | 87 | Confident | 85.3 | Confident | 18 Ų | 18 | 57.7 Ų | 57.7 | 11% | 0.11 | 32% | 0.32 | C | S | . | . | trans | -66.1 | 158.2 | 158.3 | 65.2 | 0 | 0 | 0 | 0 | 110.1 | P145 F158 D261 S262 T263 | P145-T259 HydrophobicContact CB-CG2 3.87Å; P145-T259 HydrophobicContact CG-CG2 3.85Å; F158-T259 HydrophobicContact CB-CG2 3.6Å; F158-T259 PolarHBondContact O-N 2.99Å; T259-D261 PolarHBondContact O-N 2.94Å; T259-S262 CarbonylContact O-C 3.4Å; T259-S262 WeakPolarHBondContact O-CB 3.35Å; T259-S262 PolarHBondContact O-N 3.38Å; T259-S262 VanDerWaalsContact O-N 3.08Å; T259-S262 WeakPolarHBondContact OG1-CB 2.99Å; T259-S262 PolarHBondContact OG1-N 3.46Å; T259-S262 PolarHBondContact OG1-OG 2.91Å; T259-T263 PolarHBondContact O-N 3.43Å; T259-T263 PolarHBondContact O-OG1 2.88Å | ||
| 260 | D | 82.9 | Confident | 84.9 | Confident | 95 Ų | 95 | 58.3 Ų | 58.3 | 51% | 0.508 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -63.2 | -35.9 | -174.5 | -48.7 | 12.7 | 0 | 0 | 0 | 110.3 | R160 T263 K264 | R160-D260 IonicContact CZ-OD1 2.91Å; R160-D260 IonicContact NH1-OD1 3.77Å; R160-D260 PolarHBondContact NH1-OD1 3.15Å; R160-D260 IonicContact NH2-OD1 2.74Å; R160-D260 PolarHBondContact NH2-OD1 2.68Å; D260-T263 WeakPolarHBondContact O-CB 3.47Å; D260-T263 PolarHBondContact O-N 2.84Å; D260-K264 WeakPolarHBondContact O-CG 3.1Å; D260-K264 PolarHBondContact O-N 3.42Å |
| 261 | D | 85.4 | Confident | 84.4 | Confident | 101 Ų | 101 | 61.2 Ų | 61.2 | 54% | 0.54 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -71.6 | -37.6 | 173.8 | -63.5 | -35.1 | 0 | 0 | 0 | 112.8 | T259 T263 K264 L265 | T259-D261 PolarHBondContact O-N 2.94Å; D261-T263 VanDerWaalsContact C-N 3.28Å; D261-T263 PolarHBondContact O-N 3.07Å; D261-K264 WeakPolarHBondContact O-CB 3.43Å; D261-K264 PolarHBondContact O-N 3.24Å; D261-K264 IonicContact OD1-NZ 2.87Å; D261-K264 PolarHBondContact OD1-NZ 3.47Å; D261-L265 WeakPolarHBondContact O-CG 3.25Å; D261-L265 PolarHBondContact O-N 3.23Å |
| 262 | S | 88.8 | Confident | 83.9 | Confident | 1 Ų | 1 | 63.1 Ų | 63.1 | 1% | 0.007 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -64.8 | -35.4 | 171.9 | -56 | 0 | 0 | 0 | 0 | 111.5 | F158 T259 L265 I266 | F158-S262 PolarHBondContact N-OG 3.35Å; F158-S262 PolarHBondContact O-OG 3.13Å; T259-S262 CarbonylContact O-C 3.4Å; T259-S262 WeakPolarHBondContact O-CB 3.35Å; T259-S262 PolarHBondContact O-N 3.38Å; T259-S262 VanDerWaalsContact O-N 3.08Å; T259-S262 WeakPolarHBondContact OG1-CB 2.99Å; T259-S262 PolarHBondContact OG1-N 3.46Å; T259-S262 PolarHBondContact OG1-OG 2.91Å; S262-L265 PolarHBondContact O-N 2.91Å; S262-I266 WeakPolarHBondContact O-CB 3.44Å; S262-I266 WeakPolarHBondContact O-CD1 3.4Å; S262-I266 VanDerWaalsContact O-CG1 3.27Å; S262-I266 WeakPolarHBondContact O-CG1 3.25Å; S262-I266 PolarHBondContact O-N 3.49Å |
| 263 | T | 85.7 | Confident | 83.5 | Confident | 52 Ų | 52 | 64.1 Ų | 64.1 | 32% | 0.319 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -64.5 | -44.3 | 173.6 | -52 | 0 | 0 | 0 | 0 | 110.8 | Y258 T259 D260 D261 L265 I266 N267 | Y258-T263 WeakPolarHBondContact CB-OG1 3.25Å; T259-T263 PolarHBondContact O-N 3.43Å; T259-T263 PolarHBondContact O-OG1 2.88Å; D260-T263 WeakPolarHBondContact O-CB 3.47Å; D260-T263 PolarHBondContact O-N 2.84Å; D261-T263 VanDerWaalsContact C-N 3.28Å; D261-T263 PolarHBondContact O-N 3.07Å; T263-L265 PolarHBondContact O-N 3.07Å; T263-I266 PolarHBondContact O-N 3.17Å; T263-N267 WeakPolarHBondContact O-CB 3.4Å; T263-N267 VanDerWaalsContact O-CG 3.24Å; T263-N267 PolarHBondContact O-N 2.88Å |
| 264 | K | 85.9 | Confident | 83.1 | Confident | 124 Ų | 124 | 67.7 Ų | 67.7 | 54% | 0.539 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -59.7 | -43.3 | 173.6 | -67.7 | 165.5 | -157.2 | 160.9 | 0 | 111.7 | D260 D261 N267 M268 | D260-K264 WeakPolarHBondContact O-CG 3.1Å; D260-K264 PolarHBondContact O-N 3.42Å; D261-K264 WeakPolarHBondContact O-CB 3.43Å; D261-K264 PolarHBondContact O-N 3.24Å; D261-K264 IonicContact OD1-NZ 2.87Å; D261-K264 PolarHBondContact OD1-NZ 3.47Å; K264-N267 PolarHBondContact O-N 3.4Å; K264-M268 VanDerWaalsContact O-CB 3.25Å; K264-M268 WeakPolarHBondContact O-CB 3.46Å; K264-M268 PolarHBondContact O-N 2.87Å |
| 265 | L | 84.6 | Confident | 83.2 | Confident | 88 Ų | 88 | 66.9 Ų | 66.9 | 46% | 0.461 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63.5 | -45 | 177.1 | -71.5 | 172.2 | 0 | 0 | 0 | 112.2 | D261 S262 T263 R269 | D261-L265 WeakPolarHBondContact O-CG 3.25Å; D261-L265 PolarHBondContact O-N 3.23Å; S262-L265 PolarHBondContact O-N 2.91Å; T263-L265 PolarHBondContact O-N 3.07Å; L265-R269 VanDerWaalsContact O-CB 3.26Å; L265-R269 WeakPolarHBondContact O-CB 3.36Å; L265-R269 PolarHBondContact O-N 3.38Å; L265-R269 VanDerWaalsContact O-N 3.07Å |
| 266 | I | 85.7 | Confident | 83 | Confident | 12 Ų | 12 | 67.7 Ų | 67.7 | 6% | 0.062 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -60 | -47.3 | 175.1 | -71.8 | 164 | 0 | 0 | 0 | 110.5 | Y153 L157 Y258 S262 T263 R269 N270 | Y153-I266 HydrophobicContact CD1-CG1 4.36Å; Y153-I266 HydrophobicContact CE1-CB 4.34Å; Y153-I266 HydrophobicContact CE1-CG1 4.14Å; Y153-I266 HydrophobicContact CE1-CG2 3.84Å; Y153-I266 HydrophobicContact CE2-CG1 4.47Å; L157-I266 HydrophobicContact CD1-CD1 4.1Å; L157-I266 HydrophobicContact CD1-CG1 4.31Å; L157-I266 HydrophobicContact CD2-CD1 4.09Å; L157-I266 HydrophobicContact CD2-CG1 3.88Å; Y258-I266 HydrophobicContact CD1-CD1 3.44Å; Y258-I266 VanDerWaalsContact CD1-CD1 3.44Å; Y258-I266 HydrophobicContact CD2-CD1 3.91Å; Y258-I266 HydrophobicContact CE1-CD1 3.49Å; Y258-I266 VanDerWaalsContact CE1-CD1 3.49Å; Y258-I266 HydrophobicContact CE2-CD1 3.95Å; Y258-I266 HydrophobicContact CG-CD1 3.68Å; S262-I266 WeakPolarHBondContact O-CB 3.44Å; S262-I266 WeakPolarHBondContact O-CD1 3.4Å; S262-I266 VanDerWaalsContact O-CG1 3.27Å; S262-I266 WeakPolarHBondContact O-CG1 3.25Å; S262-I266 PolarHBondContact O-N 3.49Å; T263-I266 PolarHBondContact O-N 3.17Å; I266-R269 PolarHBondContact O-N 2.8Å; I266-N270 WeakPolarHBondContact CG2-ND2 3.26Å; I266-N270 WeakPolarHBondContact O-CB 3.4Å; I266-N270 PolarHBondContact O-N 2.82Å; I266-N270 PolarHBondContact O-ND2 3.44Å |
| 267 | N | 85.9 | Confident | 82.8 | Confident | 82 Ų | 82 | 69.7 Ų | 69.7 | 44% | 0.439 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -65.5 | -50.6 | -178.9 | -71.8 | -9.1 | 0 | 0 | 0 | 111.9 | T263 K264 R269 N270 E271 | T263-N267 WeakPolarHBondContact O-CB 3.4Å; T263-N267 VanDerWaalsContact O-CG 3.24Å; T263-N267 PolarHBondContact O-N 2.88Å; K264-N267 PolarHBondContact O-N 3.4Å; N267-R269 PolarHBondContact O-N 2.83Å; N267-R269 VanDerWaalsContact O-N 3.15Å; N267-N270 PolarHBondContact O-N 3.31Å; N267-N270 VanDerWaalsContact O-N 3.13Å; N267-E271 WeakPolarHBondContact O-CB 3.39Å; N267-E271 WeakPolarHBondContact O-CG 3.36Å; N267-E271 PolarHBondContact O-N 2.86Å |
| 268 | M | 79.9 | Confident | 82.3 | Confident | 129 Ų | 129 | 72 Ų | 72 | 64% | 0.635 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -54.5 | -35.9 | 176 | -177.8 | -173 | -64.6 | 0 | 0 | 111.9 | K264 G272 | K264-M268 VanDerWaalsContact O-CB 3.25Å; K264-M268 WeakPolarHBondContact O-CB 3.46Å; K264-M268 PolarHBondContact O-N 2.87Å; M268-G272 PolarHBondContact O-N 3.3Å |
| 269 | R | 82.3 | Confident | 81.9 | Confident | 96 Ų | 96 | 75.1 Ų | 75.1 | 36% | 0.362 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -81.5 | -34.2 | 179.8 | -167 | 161.9 | 179.1 | -79.5 | 14.1 | 113.7 | F152 Y153 L265 I266 N267 G272 A273 | F152-R269 PolarHBondContact O-NH1 3.02Å; F152-R269 PolarHBondContact O-NH2 2.79Å; Y153-R269 WeakPolarHBondContact O-CD 3.24Å; Y153-R269 PolarHBondContact O-NE 3.42Å; Y153-R269 PolarHBondContact O-NH2 3.38Å; Y153-R269 VanDerWaalsContact O-NH2 3.09Å; L265-R269 VanDerWaalsContact O-CB 3.26Å; L265-R269 WeakPolarHBondContact O-CB 3.36Å; L265-R269 PolarHBondContact O-N 3.38Å; L265-R269 VanDerWaalsContact O-N 3.07Å; I266-R269 PolarHBondContact O-N 2.8Å; N267-R269 PolarHBondContact O-N 2.83Å; N267-R269 VanDerWaalsContact O-N 3.15Å; R269-G272 PolarHBondContact O-N 2.99Å; R269-A273 WeakPolarHBondContact O-CB 3.32Å; R269-A273 PolarHBondContact O-N 3.49Å |
| 270 | N | 82.9 | Confident | 81.4 | Confident | 70 Ų | 70 | 76.6 Ų | 76.6 | 37% | 0.374 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -63.5 | -44.1 | 169.5 | -70.1 | -22.2 | 0 | 0 | 0 | 110.2 | I266 N267 A273 M274 | I266-N270 WeakPolarHBondContact CG2-ND2 3.26Å; I266-N270 WeakPolarHBondContact O-CB 3.4Å; I266-N270 PolarHBondContact O-N 2.82Å; I266-N270 PolarHBondContact O-ND2 3.44Å; N267-N270 PolarHBondContact O-N 3.31Å; N267-N270 VanDerWaalsContact O-N 3.13Å; N270-A273 PolarHBondContact O-N 3.39Å; N270-M274 WeakPolarHBondContact O-CB 3.28Å; N270-M274 PolarHBondContact O-N 2.87Å |
| 271 | E | 79.1 | Confident | 80.9 | Confident | 107 Ų | 107 | 78.7 Ų | 78.7 | 50% | 0.5 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -58 | -49.9 | 171.6 | -73.3 | 173.8 | -174.7 | 0 | 0 | 111.3 | N267 A273 M274 L275 | N267-E271 WeakPolarHBondContact O-CB 3.39Å; N267-E271 WeakPolarHBondContact O-CG 3.36Å; N267-E271 PolarHBondContact O-N 2.86Å; E271-A273 VanDerWaalsContact C-N 3.31Å; E271-A273 PolarHBondContact O-N 2.83Å; E271-M274 WeakPolarHBondContact O-CB 3.39Å; E271-M274 PolarHBondContact O-N 2.74Å; E271-M274 VanDerWaalsContact O-N 3.1Å; E271-L275 VanDerWaalsContact O-CG 3.31Å; E271-L275 WeakPolarHBondContact O-CG 3.25Å; E271-L275 PolarHBondContact O-N 2.95Å |
| 272 | G | 79.2 | Confident | 80.3 | Confident | 45 Ų | 45 | 79.3 Ų | 79.3 | 46% | 0.464 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -59.1 | -38.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | M268 R269 G276 | M268-G272 PolarHBondContact O-N 3.3Å; R269-G272 PolarHBondContact O-N 2.99Å; G272-G276 PolarHBondContact O-N 3.43Å |
| 273 | A | 79.1 | Confident | 79.4 | Confident | 71 Ų | 71 | 81.1 Ų | 81.1 | 59% | 0.587 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -68.4 | -39.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112 | R269 N270 E271 G276 | R269-A273 WeakPolarHBondContact O-CB 3.32Å; R269-A273 PolarHBondContact O-N 3.49Å; N270-A273 PolarHBondContact O-N 3.39Å; E271-A273 VanDerWaalsContact C-N 3.31Å; E271-A273 PolarHBondContact O-N 2.83Å; A273-G276 PolarHBondContact O-N 2.95Å; A273-G276 VanDerWaalsContact O-N 3.1Å |
| 274 | M | 76.8 | Confident | 78.7 | Confident | 101 Ų | 101 | 83.4 Ų | 83.4 | 50% | 0.498 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -62.6 | -42.4 | 175.6 | -137.5 | -174.7 | 67.9 | 0 | 0 | 111.5 | N270 E271 G276 D277 V280 | N270-M274 WeakPolarHBondContact O-CB 3.28Å; N270-M274 PolarHBondContact O-N 2.87Å; E271-M274 WeakPolarHBondContact O-CB 3.39Å; E271-M274 PolarHBondContact O-N 2.74Å; E271-M274 VanDerWaalsContact O-N 3.1Å; M274-G276 PolarHBondContact O-N 2.6Å; M274-D277 PolarHBondContact O-N 3.47Å; M274-V280 HydrophobicContact CE-CG1 3.55Å; M274-V280 HydrophobicContact CG-CG1 3.9Å; M274-V280 WeakPolarHBondContact O-CB 3.31Å; M274-V280 HydrophobicContact SD-CG1 4.3Å |
| 275 | L | 79 | Confident | 78 | Confident | 54 Ų | 54 | 81.1 Ų | 81.1 | 28% | 0.283 | 45% | 0.449 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -5.3 | 175.2 | -63.1 | 174.9 | 0 | 0 | 0 | 113.6 | E271 R281 Y284 | E271-L275 VanDerWaalsContact O-CG 3.31Å; E271-L275 WeakPolarHBondContact O-CG 3.25Å; E271-L275 PolarHBondContact O-N 2.95Å; L275-R281 HydrophobicContact CD2-CB 4.46Å; L275-R281 HydrophobicContact CD2-CG 4.37Å; L275-Y284 HydrophobicContact CD1-CE1 4.49Å; L275-Y284 HydrophobicContact CD2-CD1 3.6Å; L275-Y284 HydrophobicContact CD2-CD2 4.27Å; L275-Y284 HydrophobicContact CD2-CE1 4.34Å; L275-Y284 HydrophobicContact CD2-CG 3.56Å |
| 276 | G | 76.7 | Confident | 77.2 | Confident | 58 Ų | 58 | 82.5 Ų | 82.5 | 60% | 0.598 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -26.8 | 167.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | G272 A273 M274 P278 | G272-G276 PolarHBondContact O-N 3.43Å; A273-G276 PolarHBondContact O-N 2.95Å; A273-G276 VanDerWaalsContact O-N 3.1Å; M274-G276 PolarHBondContact O-N 2.6Å; G276-P278 WeakPolarHBondContact O-CD 3.35Å |
| 277 | D | 79.8 | Confident | 76.2 | Confident | 68 Ų | 68 | 83.2 Ų | 83.2 | 36% | 0.364 | 46% | 0.464 | S | S | . | . | S | Bend | trans | -76 | 121 | 171.2 | -173.5 | -41.6 | 0 | 0 | 0 | 109.5 | M274 N279 V280 R281 | M274-D277 PolarHBondContact O-N 3.47Å; D277-N279 VanDerWaalsContact C-N 3.27Å; D277-N279 PolarHBondContact O-N 3.03Å; D277-N279 WeakPolarHBondContact OD1-CB 3.42Å; D277-N279 PolarHBondContact OD1-N 3.47Å; D277-N279 PolarHBondContact OD1-ND2 2.88Å; D277-V280 HydrophobicContact CB-CB 4.08Å; D277-V280 HydrophobicContact CB-CG2 3.91Å; D277-V280 PolarHBondContact O-N 2.89Å; D277-R281 WeakPolarHBondContact O-CB 3.48Å; D277-R281 PolarHBondContact O-N 3.45Å |
| 278 | P | 75 | Confident | 75.2 | Confident | 83 Ų | 83 | 81.5 Ų | 81.5 | 54% | 0.539 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -56.4 | -36.9 | 180 | -26.1 | 35.5 | 0 | 0 | 0 | 114.2 | G276 E282 | G276-P278 WeakPolarHBondContact O-CD 3.35Å; P278-E282 WeakPolarHBondContact O-CB 3.12Å; P278-E282 PolarHBondContact O-N 3.08Å |
| 279 | N | 79.3 | Confident | 74.3 | Confident | 122 Ų | 122 | 78.2 Ų | 78.2 | 65% | 0.652 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -71.3 | -42.3 | -177.9 | -51.1 | -72.2 | 0 | 0 | 0 | 110.6 | D277 E282 G283 | D277-N279 VanDerWaalsContact C-N 3.27Å; D277-N279 PolarHBondContact O-N 3.03Å; D277-N279 WeakPolarHBondContact OD1-CB 3.42Å; D277-N279 PolarHBondContact OD1-N 3.47Å; D277-N279 PolarHBondContact OD1-ND2 2.88Å; N279-E282 PolarHBondContact O-N 3.39Å; N279-G283 PolarHBondContact O-N 2.92Å |
| 280 | V | 75.6 | Confident | 72.9 | Confident | 50 Ų | 50 | 76.2 Ų | 76.2 | 30% | 0.303 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -71.9 | -36.5 | 178.4 | -175.8 | 0 | 0 | 0 | 0 | 110.8 | M274 D277 G283 Y284 | M274-V280 HydrophobicContact CE-CG1 3.55Å; M274-V280 HydrophobicContact CG-CG1 3.9Å; M274-V280 WeakPolarHBondContact O-CB 3.31Å; M274-V280 HydrophobicContact SD-CG1 4.3Å; D277-V280 HydrophobicContact CB-CB 4.08Å; D277-V280 HydrophobicContact CB-CG2 3.91Å; D277-V280 PolarHBondContact O-N 2.89Å; V280-G283 PolarHBondContact O-N 3.41Å; V280-Y284 VanDerWaalsContact O-CB 3.26Å; V280-Y284 WeakPolarHBondContact O-CB 3.31Å; V280-Y284 PolarHBondContact O-N 3.37Å |
| 281 | R | 72.8 | Confident | 71.7 | Confident | 138 Ų | 138 | 79.9 Ų | 79.9 | 52% | 0.521 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -62.6 | -42.4 | 172.3 | -169 | -176.8 | 69.2 | -166.5 | 0.4 | 111.7 | L275 D277 Y284 V285 | L275-R281 HydrophobicContact CD2-CB 4.46Å; L275-R281 HydrophobicContact CD2-CG 4.37Å; D277-R281 WeakPolarHBondContact O-CB 3.48Å; D277-R281 PolarHBondContact O-N 3.45Å; R281-Y284 PolarHBondContact O-N 2.93Å; R281-V285 HydrophobicContact CG-CG2 4.43Å; R281-V285 WeakPolarHBondContact O-CB 3.45Å; R281-V285 VanDerWaalsContact O-CG2 3.25Å; R281-V285 WeakPolarHBondContact O-CG2 3.38Å; R281-V285 PolarHBondContact O-N 3.47Å |
| 282 | E | 71.8 | Confident | 70.7 | Confident | 115 Ų | 115 | 76.7 Ų | 76.7 | 54% | 0.537 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -61.1 | -50 | 174.2 | -178.5 | 170.9 | -174.8 | 0 | 0 | 111 | P278 N279 Y284 V285 Q286 | P278-E282 WeakPolarHBondContact O-CB 3.12Å; P278-E282 PolarHBondContact O-N 3.08Å; N279-E282 PolarHBondContact O-N 3.39Å; E282-Y284 VanDerWaalsContact C-N 3.34Å; E282-Y284 PolarHBondContact O-N 3.15Å; E282-V285 PolarHBondContact O-N 3.34Å; E282-Q286 HydrophobicContact CG-CG 4.39Å; E282-Q286 WeakPolarHBondContact O-CB 3.49Å; E282-Q286 VanDerWaalsContact O-CG 3.3Å; E282-Q286 WeakPolarHBondContact O-CG 3.46Å; E282-Q286 PolarHBondContact O-N 3.07Å; E282-Q286 PolarHBondContact OE1-NE2 2.87Å |
| 283 | G | 70.3 | Confident | 69.7 | Low | 39 Ų | 39 | 79.6 Ų | 79.6 | 40% | 0.402 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -60.7 | -38.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | N279 V280 G287 | N279-G283 PolarHBondContact O-N 2.92Å; V280-G283 PolarHBondContact O-N 3.41Å; G283-G287 PolarHBondContact O-N 3.3Å |
| 284 | Y | 72.1 | Confident | 68.4 | Low | 99 Ų | 99 | 82 Ų | 82 | 39% | 0.388 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -71 | -40.8 | 176.6 | -175 | -90.2 | 0 | 0 | 0 | 112.3 | L275 V280 R281 E282 G287 S288 | L275-Y284 HydrophobicContact CD1-CE1 4.49Å; L275-Y284 HydrophobicContact CD2-CD1 3.6Å; L275-Y284 HydrophobicContact CD2-CD2 4.27Å; L275-Y284 HydrophobicContact CD2-CE1 4.34Å; L275-Y284 HydrophobicContact CD2-CG 3.56Å; V280-Y284 VanDerWaalsContact O-CB 3.26Å; V280-Y284 WeakPolarHBondContact O-CB 3.31Å; V280-Y284 PolarHBondContact O-N 3.37Å; R281-Y284 PolarHBondContact O-N 2.93Å; E282-Y284 VanDerWaalsContact C-N 3.34Å; E282-Y284 PolarHBondContact O-N 3.15Å; Y284-G287 PolarHBondContact O-N 2.86Å; Y284-S288 VanDerWaalsContact O-CB 3.29Å; Y284-S288 WeakPolarHBondContact O-CB 3.25Å; Y284-S288 PolarHBondContact O-N 2.92Å; Y284-S288 PolarHBondContact O-OG 3.14Å |
| 285 | V | 71 | Confident | 67.4 | Low | 77 Ų | 77 | 79.8 Ų | 79.8 | 47% | 0.467 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -64.6 | -47.5 | 173.6 | 170.9 | 0 | 0 | 0 | 0 | 109.9 | R281 E282 G287 S288 V289 | R281-V285 HydrophobicContact CG-CG2 4.43Å; R281-V285 WeakPolarHBondContact O-CB 3.45Å; R281-V285 VanDerWaalsContact O-CG2 3.25Å; R281-V285 WeakPolarHBondContact O-CG2 3.38Å; R281-V285 PolarHBondContact O-N 3.47Å; E282-V285 PolarHBondContact O-N 3.34Å; V285-G287 VanDerWaalsContact C-N 3.34Å; V285-G287 PolarHBondContact O-N 3.23Å; V285-S288 WeakPolarHBondContact CA-OG 3.47Å; V285-S288 PolarHBondContact O-N 3.31Å; V285-S288 PolarHBondContact O-OG 3.06Å; V285-V289 HydrophobicContact CG1-CG2 4.32Å; V285-V289 WeakPolarHBondContact O-CB 3.35Å; V285-V289 VanDerWaalsContact O-CG2 3.25Å; V285-V289 WeakPolarHBondContact O-CG2 3.36Å; V285-V289 PolarHBondContact O-N 3.21Å |
| 286 | Q | 66.4 | Low | 66 | Low | 116 Ų | 116 | 78.8 Ų | 78.8 | 54% | 0.542 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -58.7 | -43.5 | 174.3 | -71.2 | 179.6 | 11.2 | 0 | 0 | 111.7 | E282 A290 | E282-Q286 HydrophobicContact CG-CG 4.39Å; E282-Q286 WeakPolarHBondContact O-CB 3.49Å; E282-Q286 VanDerWaalsContact O-CG 3.3Å; E282-Q286 WeakPolarHBondContact O-CG 3.46Å; E282-Q286 PolarHBondContact O-N 3.07Å; E282-Q286 PolarHBondContact OE1-NE2 2.87Å; Q286-A290 VanDerWaalsContact O-CB 3.22Å; Q286-A290 WeakPolarHBondContact O-CB 3.46Å; Q286-A290 PolarHBondContact O-N 2.83Å |
| 287 | G | 65.5 | Low | 65 | Low | 28 Ų | 28 | 78.2 Ų | 78.2 | 29% | 0.289 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -72.5 | -27.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115 | G283 Y284 V285 R291 | G283-G287 PolarHBondContact O-N 3.3Å; Y284-G287 PolarHBondContact O-N 2.86Å; V285-G287 VanDerWaalsContact C-N 3.34Å; V285-G287 PolarHBondContact O-N 3.23Å; G287-R291 WeakPolarHBondContact O-CB 3.31Å; G287-R291 WeakPolarHBondContact O-CG 3.48Å; G287-R291 PolarHBondContact O-N 2.99Å; G287-R291 PolarHBondContact O-NE 2.81Å |
| 288 | S | 64.1 | Low | 63.5 | Low | 45 Ų | 45 | 82.8 Ų | 82.8 | 32% | 0.315 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -81.1 | -35.5 | 172.7 | 55.7 | 0 | 0 | 0 | 0 | 112 | Y284 V285 G292 | Y284-S288 VanDerWaalsContact O-CB 3.29Å; Y284-S288 WeakPolarHBondContact O-CB 3.25Å; Y284-S288 PolarHBondContact O-N 2.92Å; Y284-S288 PolarHBondContact O-OG 3.14Å; V285-S288 WeakPolarHBondContact CA-OG 3.47Å; V285-S288 PolarHBondContact O-N 3.31Å; V285-S288 PolarHBondContact O-OG 3.06Å; S288-G292 PolarHBondContact O-N 3.38Å |
| 289 | V | 61 | Low | 62.2 | Low | 60 Ų | 60 | 83.8 Ų | 83.8 | 36% | 0.364 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -65.6 | -39.1 | 168.3 | 171.5 | 0 | 0 | 0 | 0 | 110.6 | V285 G292 M293 | V285-V289 HydrophobicContact CG1-CG2 4.32Å; V285-V289 WeakPolarHBondContact O-CB 3.35Å; V285-V289 VanDerWaalsContact O-CG2 3.25Å; V285-V289 WeakPolarHBondContact O-CG2 3.36Å; V285-V289 PolarHBondContact O-N 3.21Å; V289-G292 CarbonylContact O-C 3.47Å; V289-G292 PolarHBondContact O-N 3.01Å; V289-M293 WeakPolarHBondContact O-CB 3.17Å; V289-M293 WeakPolarHBondContact O-CG 3.42Å; V289-M293 PolarHBondContact O-N 2.78Å |
| 290 | A | 53.5 | Low | 60.9 | Low | 54 Ų | 54 | 86.3 Ų | 86.3 | 45% | 0.446 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.2 | -50.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q286 G292 M293 E294 | Q286-A290 VanDerWaalsContact O-CB 3.22Å; Q286-A290 WeakPolarHBondContact O-CB 3.46Å; Q286-A290 PolarHBondContact O-N 2.83Å; A290-G292 VanDerWaalsContact C-N 3.28Å; A290-G292 PolarHBondContact O-N 3.44Å; A290-M293 CarbonylContact O-C 3.58Å; A290-M293 PolarHBondContact O-N 2.85Å; A290-E294 WeakPolarHBondContact O-CB 3.5Å; A290-E294 PolarHBondContact O-N 3.33Å |
| 291 | R | 57.4 | Low | 59.6 | Low | 148 Ų | 148 | 88.2 Ų | 88.2 | 56% | 0.558 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61 | -36.3 | 173.1 | -77.9 | -177.3 | -71.4 | 160.1 | -4.2 | 112.5 | G287 E294 A295 | G287-R291 WeakPolarHBondContact O-CB 3.31Å; G287-R291 WeakPolarHBondContact O-CG 3.48Å; G287-R291 PolarHBondContact O-N 2.99Å; G287-R291 PolarHBondContact O-NE 2.81Å; R291-E294 PolarHBondContact O-N 3.3Å; R291-A295 VanDerWaalsContact O-CB 3.29Å; R291-A295 WeakPolarHBondContact O-CB 3.41Å; R291-A295 PolarHBondContact O-N 2.85Å |
| 292 | G | 57.4 | Low | 58.5 | Low | 39 Ų | 39 | 82.6 Ų | 82.6 | 40% | 0.402 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.4 | -40.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | S288 V289 A290 A296 | S288-G292 PolarHBondContact O-N 3.38Å; V289-G292 CarbonylContact O-C 3.47Å; V289-G292 PolarHBondContact O-N 3.01Å; A290-G292 VanDerWaalsContact C-N 3.28Å; A290-G292 PolarHBondContact O-N 3.44Å; G292-A296 WeakPolarHBondContact O-CB 3.02Å; G292-A296 PolarHBondContact O-N 2.76Å |
| 293 | M | 58.5 | Low | 57.5 | Low | 106 Ų | 106 | 79.9 Ų | 79.9 | 52% | 0.522 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -69.4 | -36.1 | 172.7 | -82.8 | -174.2 | 160.1 | 0 | 0 | 112.4 | V289 A290 G297 F307 | V289-M293 WeakPolarHBondContact O-CB 3.17Å; V289-M293 WeakPolarHBondContact O-CG 3.42Å; V289-M293 PolarHBondContact O-N 2.78Å; A290-M293 CarbonylContact O-C 3.58Å; A290-M293 PolarHBondContact O-N 2.85Å; M293-G297 WeakPolarHBondContact O-CA 3.41Å; M293-G297 PolarHBondContact O-N 2.96Å; M293-F307 HydrophobicContact CE-CD2 3.88Å; M293-F307 HydrophobicContact CE-CE2 3.93Å |
| 294 | E | 53.3 | Low | 56.5 | Low | 121 Ų | 121 | 81.8 Ų | 81.8 | 57% | 0.565 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -68.2 | -44.6 | 176.3 | -169.1 | -179.8 | -178 | 0 | 0 | 111 | A290 R291 G297 K298 | A290-E294 WeakPolarHBondContact O-CB 3.5Å; A290-E294 PolarHBondContact O-N 3.33Å; R291-E294 PolarHBondContact O-N 3.3Å; E294-G297 PolarHBondContact O-N 3.25Å; E294-K298 WeakPolarHBondContact O-CG 3.47Å; E294-K298 PolarHBondContact O-N 3.08Å |
| 295 | A | 55.5 | Low | 55.3 | Low | 56 Ų | 56 | 82 Ų | 82 | 46% | 0.463 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67.7 | -37.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | R291 K298 N299 | R291-A295 VanDerWaalsContact O-CB 3.29Å; R291-A295 WeakPolarHBondContact O-CB 3.41Å; R291-A295 PolarHBondContact O-N 2.85Å; A295-K298 PolarHBondContact O-N 2.88Å; A295-N299 PolarHBondContact O-ND2 3.29Å |
| 296 | A | 50.1 | Low | 54.4 | Low | 32 Ų | 32 | 80.1 Ų | 80.1 | 26% | 0.264 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -71.7 | -31.1 | 174 | 0 | 0 | 0 | 0 | 0 | 112.5 | G292 N299 | G292-A296 WeakPolarHBondContact O-CB 3.02Å; G292-A296 PolarHBondContact O-N 2.76Å; A296-N299 PolarHBondContact O-N 3.35Å; A296-N299 VanDerWaalsContact O-O 3.1Å |
| 297 | G | 54.3 | Low | 53.7 | Low | 46 Ų | 46 | 81.5 Ų | 81.5 | 47% | 0.474 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -73 | -27.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | M293 E294 N299 | M293-G297 WeakPolarHBondContact O-CA 3.41Å; M293-G297 PolarHBondContact O-N 2.96Å; E294-G297 PolarHBondContact O-N 3.25Å; G297-N299 PolarHBondContact O-N 2.83Å |
| 298 | K | 49.7 | Very low | 53 | Low | 165 Ų | 165 | 87.2 Ų | 87.2 | 72% | 0.717 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -4.6 | 167.6 | -77.2 | 179.8 | 176.7 | 177.7 | 0 | 114.1 | E294 A295 | E294-K298 WeakPolarHBondContact O-CG 3.47Å; E294-K298 PolarHBondContact O-N 3.08Å; A295-K298 PolarHBondContact O-N 2.88Å |
| 299 | N | 45.9 | Very low | 52.6 | Low | 103 Ų | 103 | 87.2 Ų | 87.2 | 55% | 0.551 | 53% | 0.53 | S | S | * | . | S | Bend | trans | -111.7 | 105.6 | 174.1 | -75 | -78.1 | 0 | 0 | 0 | 109.7 | A295 A296 G297 A301 G302 | A295-N299 PolarHBondContact O-ND2 3.29Å; A296-N299 PolarHBondContact O-N 3.35Å; A296-N299 VanDerWaalsContact O-O 3.1Å; G297-N299 PolarHBondContact O-N 2.83Å; N299-A301 PolarHBondContact O-N 3.35Å; N299-G302 WeakPolarHBondContact O-CA 3.01Å; N299-G302 PolarHBondContact O-N 3.5Å |
| 300 | D | 52.1 | Low | 52.2 | Low | 176 Ų | 176 | 90.1 Ų | 90.1 | 94% | 0.941 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -23.2 | -171.7 | -71.8 | -42.8 | 0 | 0 | 0 | 115.2 | ||
| 301 | A | 49 | Very low | 52.2 | Low | 89 Ų | 89 | 89.3 Ų | 89.3 | 74% | 0.736 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98 | -2.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | N299 T305 | N299-A301 PolarHBondContact O-N 3.35Å; A301-T305 PolarHBondContact O-OG1 2.79Å; A301-T305 VanDerWaalsContact O-OG1 3.1Å |
| 302 | G | 49 | Very low | 51.8 | Low | 21 Ų | 21 | 87.9 Ų | 87.9 | 22% | 0.216 | 54% | 0.539 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | -41.9 | -164.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | N299 A304 T305 G306 | N299-G302 WeakPolarHBondContact O-CA 3.01Å; N299-G302 PolarHBondContact O-N 3.5Å; G302-A304 PolarHBondContact O-N 3.3Å; G302-T305 PolarHBondContact O-N 3.27Å; G302-T305 VanDerWaalsContact O-N 3.11Å; G302-G306 PolarHBondContact O-N 2.72Å |
| 303 | A | 50.4 | Low | 51.7 | Low | 57 Ų | 57 | 88.2 Ų | 88.2 | 47% | 0.471 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -56.7 | -47.1 | -168.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | F307 | A303-F307 VanDerWaalsContact O-CB 3.23Å; A303-F307 WeakPolarHBondContact O-CB 3.44Å; A303-F307 PolarHBondContact O-N 3.18Å |
| 304 | A | 50.5 | Low | 51.4 | Low | 80 Ų | 80 | 90.7 Ų | 90.7 | 66% | 0.661 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -66.5 | -44.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | G302 F307 F308 | G302-A304 PolarHBondContact O-N 3.3Å; A304-F307 PolarHBondContact O-N 3.14Å; A304-F308 VanDerWaalsContact O-CB 3.27Å; A304-F308 WeakPolarHBondContact O-CB 3.44Å; A304-F308 PolarHBondContact O-N 3.18Å |
| 305 | T | 46.7 | Very low | 51.4 | Low | 102 Ų | 102 | 91.2 Ų | 91.2 | 63% | 0.626 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -65.1 | -43.3 | -178.5 | -48.7 | 0 | 0 | 0 | 0 | 111.9 | A301 G302 G309 | A301-T305 PolarHBondContact O-OG1 2.79Å; A301-T305 VanDerWaalsContact O-OG1 3.1Å; G302-T305 PolarHBondContact O-N 3.27Å; G302-T305 VanDerWaalsContact O-N 3.11Å; T305-G309 PolarHBondContact O-N 3.38Å |
| 306 | G | 52.2 | Low | 51.3 | Low | 38 Ų | 38 | 91.2 Ų | 91.2 | 39% | 0.392 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -67.3 | -41.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | G302 G309 M310 | G302-G306 PolarHBondContact O-N 2.72Å; G306-G309 PolarHBondContact O-N 3.14Å; G306-M310 VanDerWaalsContact O-CB 3.23Å; G306-M310 WeakPolarHBondContact O-CB 3.5Å; G306-M310 PolarHBondContact O-N 2.84Å |
| 307 | F | 52.5 | Low | 51.3 | Low | 145 Ų | 145 | 91 Ų | 91 | 64% | 0.636 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -69.1 | -38.5 | 176.5 | -164.1 | -90.8 | 0 | 0 | 0 | 112.3 | M293 A303 A304 G311 | M293-F307 HydrophobicContact CE-CD2 3.88Å; M293-F307 HydrophobicContact CE-CE2 3.93Å; A303-F307 VanDerWaalsContact O-CB 3.23Å; A303-F307 WeakPolarHBondContact O-CB 3.44Å; A303-F307 PolarHBondContact O-N 3.18Å; A304-F307 PolarHBondContact O-N 3.14Å; F307-G311 WeakPolarHBondContact O-CA 3.48Å; F307-G311 PolarHBondContact O-N 3.28Å |
| 308 | F | 50.3 | Low | 51.2 | Low | 148 Ų | 148 | 90.8 Ų | 90.8 | 65% | 0.649 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -69.1 | -40.4 | 175.3 | -149 | -87.5 | 0 | 0 | 0 | 111.3 | A304 M312 | A304-F308 VanDerWaalsContact O-CB 3.27Å; A304-F308 WeakPolarHBondContact O-CB 3.44Å; A304-F308 PolarHBondContact O-N 3.18Å; F308-M312 HydrophobicContact CD1-CE 4.07Å; F308-M312 HydrophobicContact CE1-CE 3.87Å; F308-M312 WeakPolarHBondContact O-CB 3.44Å; F308-M312 PolarHBondContact O-N 3.46Å |
| 309 | G | 54.6 | Low | 51.2 | Low | 46 Ų | 46 | 88.7 Ų | 88.7 | 47% | 0.474 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -63.9 | -41.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113 | T305 G306 G313 | T305-G309 PolarHBondContact O-N 3.38Å; G306-G309 PolarHBondContact O-N 3.14Å; G309-G313 WeakPolarHBondContact O-CA 3.06Å; G309-G313 PolarHBondContact O-N 2.88Å |
| 310 | M | 52.9 | Low | 51.8 | Low | 120 Ų | 120 | 92 Ų | 92 | 59% | 0.591 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -76.7 | -39.7 | 178.4 | -168 | 172.8 | -69.3 | 0 | 0 | 112.4 | G306 G313 M314 | G306-M310 VanDerWaalsContact O-CB 3.23Å; G306-M310 WeakPolarHBondContact O-CB 3.5Å; G306-M310 PolarHBondContact O-N 2.84Å; M310-G313 CarbonylContact O-C 3.56Å; M310-G313 PolarHBondContact O-N 2.66Å; M310-M314 PolarHBondContact O-N 3.04Å |
| 311 | G | 53.2 | Low | 51.7 | Low | 38 Ų | 38 | 89.7 Ų | 89.7 | 39% | 0.392 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -66.8 | -42.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | F307 N315 | F307-G311 WeakPolarHBondContact O-CA 3.48Å; F307-G311 PolarHBondContact O-N 3.28Å; G311-N315 WeakPolarHBondContact O-CB 3.41Å; G311-N315 PolarHBondContact O-N 2.92Å; G311-N315 VanDerWaalsContact O-N 3.14Å |
| 312 | M | 50.8 | Low | 52 | Low | 117 Ų | 117 | 90 Ų | 90 | 58% | 0.576 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -69.6 | -38.2 | 170.7 | -157.2 | -157.3 | -56.2 | 0 | 0 | 111 | F308 M314 N315 A316 | F308-M312 HydrophobicContact CD1-CE 4.07Å; F308-M312 HydrophobicContact CE1-CE 3.87Å; F308-M312 WeakPolarHBondContact O-CB 3.44Å; F308-M312 PolarHBondContact O-N 3.46Å; M312-M314 PolarHBondContact O-N 3.43Å; M312-N315 PolarHBondContact O-N 2.74Å; M312-A316 WeakPolarHBondContact O-CB 3.42Å; M312-A316 PolarHBondContact O-N 2.89Å |
| 313 | G | 54.3 | Low | 52.6 | Low | 46 Ų | 46 | 95.2 Ų | 95.2 | 47% | 0.474 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -61.7 | -37.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | G309 M310 G317 | G309-G313 WeakPolarHBondContact O-CA 3.06Å; G309-G313 PolarHBondContact O-N 2.88Å; M310-G313 CarbonylContact O-C 3.56Å; M310-G313 PolarHBondContact O-N 2.66Å; G313-G317 WeakPolarHBondContact O-CA 3.47Å; G313-G317 PolarHBondContact O-N 2.89Å |
| 314 | M | 52.1 | Low | 52.8 | Low | 159 Ų | 159 | 94 Ų | 94 | 78% | 0.783 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -73.4 | -43.8 | 172.9 | -107.7 | -167.7 | 168.6 | 0 | 0 | 112.3 | M310 M312 G317 G318 | M310-M314 PolarHBondContact O-N 3.04Å; M312-M314 PolarHBondContact O-N 3.43Å; M314-G317 PolarHBondContact O-N 3.48Å; M314-G318 PolarHBondContact O-N 3.48Å |
| 315 | N | 53.6 | Low | 53.1 | Low | 131 Ų | 131 | 93.4 Ų | 93.4 | 70% | 0.701 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -73.9 | -43.8 | -174.9 | -154.8 | 29.2 | 0 | 0 | 0 | 112.1 | G311 M312 | G311-N315 WeakPolarHBondContact O-CB 3.41Å; G311-N315 PolarHBondContact O-N 2.92Å; G311-N315 VanDerWaalsContact O-N 3.14Å; M312-N315 PolarHBondContact O-N 2.74Å |
| 316 | A | 53.6 | Low | 54 | Low | 57 Ų | 57 | 94.5 Ų | 94.5 | 47% | 0.471 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -71.1 | -32.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | M312 G318 Y320 | M312-A316 WeakPolarHBondContact O-CB 3.42Å; M312-A316 PolarHBondContact O-N 2.89Å; A316-G318 VanDerWaalsContact C-N 3.33Å; A316-G318 PolarHBondContact O-N 3.05Å; A316-Y320 WeakPolarHBondContact O-CB 3.35Å; A316-Y320 PolarHBondContact O-N 3.21Å |
| 317 | G | 50.6 | Low | 54.2 | Low | 27 Ų | 27 | 97.6 Ų | 97.6 | 28% | 0.278 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.3 | -31.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | G313 M314 L321 | G313-G317 WeakPolarHBondContact O-CA 3.47Å; G313-G317 PolarHBondContact O-N 2.89Å; M314-G317 PolarHBondContact O-N 3.48Å; G317-L321 WeakPolarHBondContact O-CA 3.49Å; G317-L321 WeakPolarHBondContact O-CB 3.3Å; G317-L321 PolarHBondContact O-N 2.88Å |
| 318 | G | 52.1 | Low | 54.3 | Low | 42 Ų | 42 | 94.8 Ų | 94.8 | 43% | 0.433 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -60.2 | -55.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | M314 A316 N322 | M314-G318 PolarHBondContact O-N 3.48Å; A316-G318 VanDerWaalsContact C-N 3.33Å; A316-G318 PolarHBondContact O-N 3.05Å; G318-N322 WeakPolarHBondContact O-CB 3.46Å; G318-N322 PolarHBondContact O-N 3.1Å; G318-N322 VanDerWaalsContact O-N 3.14Å |
| 319 | D | 49.3 | Very low | 54.8 | Low | 121 Ų | 121 | 92.6 Ų | 92.6 | 65% | 0.647 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -71.2 | -37.4 | 178.3 | -78.4 | -32.4 | 0 | 0 | 0 | 112.5 | N322 Q323 | D319-N322 PolarHBondContact O-N 2.83Å; D319-Q323 WeakPolarHBondContact O-CB 3.4Å; D319-Q323 PolarHBondContact O-N 2.84Å |
| 320 | Y | 57.1 | Low | 55.1 | Low | 171 Ų | 171 | 97 Ų | 97 | 67% | 0.671 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -66.2 | -39.6 | 175.8 | -175 | -96.5 | 0 | 0 | 0 | 112.1 | A316 N322 A324 | A316-Y320 WeakPolarHBondContact O-CB 3.35Å; A316-Y320 PolarHBondContact O-N 3.21Å; Y320-N322 VanDerWaalsContact C-N 3.33Å; Y320-N322 PolarHBondContact O-N 3.4Å; Y320-A324 HydrophobicContact CD1-CB 4.36Å; Y320-A324 HydrophobicContact CE1-CB 4.16Å; Y320-A324 WeakPolarHBondContact O-CA 3.25Å; Y320-A324 WeakPolarHBondContact O-CB 3.39Å; Y320-A324 PolarHBondContact O-N 3.3Å |
| 321 | L | 51.3 | Low | 55.3 | Low | 128 Ų | 128 | 96.8 Ų | 96.8 | 67% | 0.67 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -68.5 | -34.4 | 176.8 | -169.6 | 72.3 | 0 | 0 | 0 | 111.1 | G317 S325 | G317-L321 WeakPolarHBondContact O-CA 3.49Å; G317-L321 WeakPolarHBondContact O-CB 3.3Å; G317-L321 PolarHBondContact O-N 2.88Å; L321-S325 WeakPolarHBondContact O-CB 3.29Å; L321-S325 PolarHBondContact O-N 3.42Å |
| 322 | N | 55 | Low | 55.2 | Low | 97 Ų | 97 | 99.8 Ų | 99.8 | 52% | 0.519 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -71.6 | -43.5 | 176.7 | -146.8 | -4 | 0 | 0 | 0 | 111.4 | G318 D319 Y320 S325 Q326 | G318-N322 WeakPolarHBondContact O-CB 3.46Å; G318-N322 PolarHBondContact O-N 3.1Å; G318-N322 VanDerWaalsContact O-N 3.14Å; D319-N322 PolarHBondContact O-N 2.83Å; Y320-N322 VanDerWaalsContact C-N 3.33Å; Y320-N322 PolarHBondContact O-N 3.4Å; N322-S325 PolarHBondContact O-N 2.81Å; N322-Q326 WeakPolarHBondContact O-CG 3.29Å; N322-Q326 PolarHBondContact O-N 2.81Å; N322-Q326 VanDerWaalsContact O-N 3.13Å |
| 323 | Q | 62.5 | Low | 55.5 | Low | 130 Ų | 130 | 101.6 Ų | 101.6 | 61% | 0.607 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -66.9 | -40.7 | 171.9 | -76.4 | -168 | -3.6 | 0 | 0 | 112.8 | D319 S325 Q326 N327 | D319-Q323 WeakPolarHBondContact O-CB 3.4Å; D319-Q323 PolarHBondContact O-N 2.84Å; Q323-S325 VanDerWaalsContact C-N 3.34Å; Q323-Q326 PolarHBondContact O-N 3.35Å; Q323-N327 WeakPolarHBondContact O-CB 3.34Å; Q323-N327 PolarHBondContact O-N 2.86Å |
| 324 | A | 53.5 | Low | 55.5 | Low | 32 Ų | 32 | 106.6 Ų | 106.6 | 26% | 0.264 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -67.3 | -34.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y320 N328 | Y320-A324 HydrophobicContact CD1-CB 4.36Å; Y320-A324 HydrophobicContact CE1-CB 4.16Å; Y320-A324 WeakPolarHBondContact O-CA 3.25Å; Y320-A324 WeakPolarHBondContact O-CB 3.39Å; Y320-A324 PolarHBondContact O-N 3.3Å; A324-N328 WeakPolarHBondContact O-CA 3.35Å; A324-N328 WeakPolarHBondContact O-CB 3.45Å; A324-N328 PolarHBondContact O-N 3.01Å |
| 325 | S | 57.5 | Low | 55 | Low | 67 Ų | 67 | 103.4 Ų | 103.4 | 47% | 0.469 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -62.9 | -43.2 | 171.3 | -176 | 0 | 0 | 0 | 0 | 111.6 | L321 N322 Q323 N329 | L321-S325 WeakPolarHBondContact O-CB 3.29Å; L321-S325 PolarHBondContact O-N 3.42Å; N322-S325 PolarHBondContact O-N 2.81Å; Q323-S325 VanDerWaalsContact C-N 3.34Å; S325-N329 WeakPolarHBondContact O-CB 3.12Å; S325-N329 PolarHBondContact O-N 2.83Å |
| 326 | Q | 64.1 | Low | 54.5 | Low | 124 Ų | 124 | 105 Ų | 105 | 58% | 0.579 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -67.1 | -46.9 | 176.6 | -69.2 | -180 | 27.8 | 0 | 0 | 112.3 | N322 Q323 N329 Q330 | N322-Q326 WeakPolarHBondContact O-CG 3.29Å; N322-Q326 PolarHBondContact O-N 2.81Å; N322-Q326 VanDerWaalsContact O-N 3.13Å; Q323-Q326 PolarHBondContact O-N 3.35Å; Q326-N329 PolarHBondContact O-N 2.89Å; Q326-Q330 PolarHBondContact O-N 3.44Å; Q326-Q330 VanDerWaalsContact O-N 3.13Å |
| 327 | N | 56.2 | Low | 53.8 | Low | 103 Ų | 103 | 111 Ų | 111 | 55% | 0.551 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -66.3 | -37.9 | 176.9 | -80.6 | -8.3 | 0 | 0 | 0 | 112.2 | Q323 Q330 Q331 | Q323-N327 WeakPolarHBondContact O-CB 3.34Å; Q323-N327 PolarHBondContact O-N 2.86Å; N327-Q330 PolarHBondContact O-N 2.9Å; N327-Q331 VanDerWaalsContact O-CB 3.25Å; N327-Q331 WeakPolarHBondContact O-CB 3.4Å; N327-Q331 PolarHBondContact O-N 3.33Å |
| 328 | N | 56.1 | Low | 53.1 | Low | 87 Ų | 87 | 112.6 Ų | 112.6 | 47% | 0.465 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -71.6 | -30.5 | 177.7 | -167 | 32 | 0 | 0 | 0 | 111.9 | A324 Q331 M332 | A324-N328 WeakPolarHBondContact O-CA 3.35Å; A324-N328 WeakPolarHBondContact O-CB 3.45Å; A324-N328 PolarHBondContact O-N 3.01Å; N328-Q331 PolarHBondContact O-N 3.19Å; N328-M332 WeakPolarHBondContact O-CB 3.32Å; N328-M332 WeakPolarHBondContact O-CG 3.32Å; N328-M332 PolarHBondContact O-N 2.89Å |
| 329 | N | 59.8 | Low | 52.1 | Low | 102 Ų | 102 | 119.2 Ų | 119.2 | 55% | 0.545 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -67.1 | -41.1 | 170 | -106.3 | -4.5 | 0 | 0 | 0 | 112.2 | S325 Q326 Q333 | S325-N329 WeakPolarHBondContact O-CB 3.12Å; S325-N329 PolarHBondContact O-N 2.83Å; Q326-N329 PolarHBondContact O-N 2.89Å; N329-Q333 PolarHBondContact O-N 3.49Å |
| 330 | Q | 61.9 | Low | 51.1 | Low | 139 Ų | 139 | 122.2 Ų | 122.2 | 65% | 0.65 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -67.2 | -39.8 | 173 | -71 | -170.7 | -4.7 | 0 | 0 | 111.9 | Q326 N327 Q333 Q334 | Q326-Q330 PolarHBondContact O-N 3.44Å; Q326-Q330 VanDerWaalsContact O-N 3.13Å; N327-Q330 PolarHBondContact O-N 2.9Å; Q330-Q333 PolarHBondContact O-N 3.47Å; Q330-Q334 PolarHBondContact O-N 2.9Å; Q330-Q334 VanDerWaalsContact O-N 3.08Å |
| 331 | Q | 56.2 | Low | 49.9 | Very low | 115 Ų | 115 | 123 Ų | 123 | 54% | 0.537 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -71.3 | -32.5 | 179.2 | -162.4 | 171.2 | 27 | 0 | 0 | 112.4 | N327 N328 Q334 N335 | N327-Q331 VanDerWaalsContact O-CB 3.25Å; N327-Q331 WeakPolarHBondContact O-CB 3.4Å; N327-Q331 PolarHBondContact O-N 3.33Å; N328-Q331 PolarHBondContact O-N 3.19Å; Q331-Q334 PolarHBondContact O-N 3.43Å; Q331-N335 WeakPolarHBondContact O-CB 3.14Å; Q331-N335 PolarHBondContact O-N 3.26Å |
| 332 | M | 51.4 | Low | 49.1 | Very low | 100 Ų | 100 | 124.5 Ų | 124.5 | 49% | 0.493 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -65 | -39 | 170.1 | -84.2 | -154.9 | -72.2 | 0 | 0 | 112.1 | N328 Q334 N335 Q336 | N328-M332 WeakPolarHBondContact O-CB 3.32Å; N328-M332 WeakPolarHBondContact O-CG 3.32Å; N328-M332 PolarHBondContact O-N 2.89Å; M332-Q334 VanDerWaalsContact C-N 3.34Å; M332-Q334 PolarHBondContact O-N 3.19Å; M332-N335 PolarHBondContact O-N 2.82Å; M332-Q336 PolarHBondContact O-N 2.99Å; M332-Q336 VanDerWaalsContact O-N 3.17Å |
| 333 | Q | 58.2 | Low | 48.1 | Very low | 155 Ų | 155 | 126.4 Ų | 126.4 | 72% | 0.724 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -65.9 | -34.1 | 173.7 | -75 | -171.7 | -12.2 | 0 | 0 | 112.6 | N329 Q330 | N329-Q333 PolarHBondContact O-N 3.49Å; Q330-Q333 PolarHBondContact O-N 3.47Å |
| 334 | Q | 52.6 | Low | 47.2 | Very low | 152 Ų | 152 | 122 Ų | 122 | 71% | 0.71 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -73.5 | -38.7 | 171.4 | -92.6 | -175.4 | -4.6 | 0 | 0 | 113.4 | Q330 Q331 M332 Q336 Q337 A338 | Q330-Q334 PolarHBondContact O-N 2.9Å; Q330-Q334 VanDerWaalsContact O-N 3.08Å; Q331-Q334 PolarHBondContact O-N 3.43Å; M332-Q334 VanDerWaalsContact C-N 3.34Å; M332-Q334 PolarHBondContact O-N 3.19Å; Q334-Q336 VanDerWaalsContact C-N 3.27Å; Q334-Q336 PolarHBondContact O-N 2.98Å; Q334-Q337 PolarHBondContact O-N 2.89Å; Q334-A338 PolarHBondContact O-N 3.18Å |
| 335 | N | 42.8 | Very low | 47.4 | Very low | 92 Ų | 92 | 126.1 Ų | 126.1 | 49% | 0.492 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -69.6 | -22 | -178.9 | -101.3 | -5.7 | 0 | 0 | 0 | 113.7 | Q331 M332 Q337 A338 Q339 | Q331-N335 WeakPolarHBondContact O-CB 3.14Å; Q331-N335 PolarHBondContact O-N 3.26Å; M332-N335 PolarHBondContact O-N 2.82Å; N335-Q337 PolarHBondContact O-N 3.39Å; N335-A338 PolarHBondContact O-N 2.93Å; N335-A338 VanDerWaalsContact O-N 3.13Å; N335-Q339 PolarHBondContact O-N 2.81Å |
| 336 | Q | 42.5 | Very low | 48.1 | Very low | 165 Ų | 165 | 129.9 Ų | 129.9 | 77% | 0.771 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.8 | -13.3 | 168.9 | -76.1 | -173.4 | -0.5 | 0 | 0 | 113.8 | M332 Q334 | M332-Q336 PolarHBondContact O-N 2.99Å; M332-Q336 VanDerWaalsContact O-N 3.17Å; Q334-Q336 VanDerWaalsContact C-N 3.27Å; Q334-Q336 PolarHBondContact O-N 2.98Å |
| 337 | Q | 39.3 | Very low | 49.1 | Very low | 183 Ų | 183 | 125 Ų | 125 | 86% | 0.855 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.9 | -3.5 | 171.4 | -65.6 | -171.5 | -4.3 | 0 | 0 | 113.9 | Q334 N335 | Q334-Q337 PolarHBondContact O-N 2.89Å; N335-Q337 PolarHBondContact O-N 3.39Å |
| 338 | A | 34.9 | Very low | 50.5 | Low | 60 Ų | 60 | 123.8 Ų | 123.8 | 50% | 0.496 | 63% | 0.629 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -108.5 | -8.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q334 N335 Q340 | Q334-A338 PolarHBondContact O-N 3.18Å; N335-A338 PolarHBondContact O-N 2.93Å; N335-A338 VanDerWaalsContact O-N 3.13Å; A338-Q340 PolarHBondContact O-N 3.33Å |
| 339 | Q | 31.1 | Very low | 52 | Low | 180 Ų | 180 | 119.7 Ų | 119.7 | 84% | 0.841 | 61% | 0.608 | S | S | * | * | trans | -69.9 | 21.1 | 179.9 | -84.7 | -171.1 | -22.7 | 0 | 0 | 115.6 | N335 | N335-Q339 PolarHBondContact O-N 2.81Š| ||
| 340 | Q | 30.1 | Very low | 53.1 | Low | 184 Ų | 184 | 119.9 Ų | 119.9 | 86% | 0.86 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -113.8 | 39.1 | 177.4 | -139.7 | 179.2 | 35.3 | 0 | 0 | 113.5 | A338 | A338-Q340 PolarHBondContact O-N 3.33Š|
| 341 | K | 31.9 | Very low | 54.1 | Low | 187 Ų | 187 | 120 Ų | 120 | 81% | 0.813 | 61% | 0.612 | S | S | * | * | trans | -169.4 | 92.9 | 158.9 | -109.6 | 165.5 | -175.3 | 177.2 | 0 | 110.8 | ||||
| 342 | N | 33.8 | Very low | 55.6 | Low | 161 Ų | 161 | 117.2 Ų | 117.2 | 86% | 0.861 | 61% | 0.605 | S | S | * | * | trans | -114.1 | 90.2 | 162.4 | -152.8 | -1.1 | 0 | 0 | 0 | 108.7 | G344 | N342-G344 PolarHBondContact O-N 3Š| ||
| 343 | T | 33.4 | Very low | 57.1 | Low | 136 Ų | 136 | 114.8 Ų | 114.8 | 83% | 0.834 | 61% | 0.606 | S | S | * | * | trans | -75.6 | 58.2 | 176.5 | 38.9 | 0 | 0 | 0 | 0 | 110.7 | D345 | T343-D345 PolarHBondContact O-N 3.36Š| ||
| 344 | G | 43.7 | Very low | 58.4 | Low | 38 Ų | 38 | 110.9 Ų | 110.9 | 39% | 0.392 | 59% | 0.587 | S | S | . | * | trans | -77.1 | 83.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | N342 Q346 | N342-G344 PolarHBondContact O-N 3Å; G344-Q346 PolarHBondContact O-N 2.63Å; G344-Q346 VanDerWaalsContact O-N 3.1Å | ||
| 345 | D | 58.4 | Low | 60.1 | Low | 119 Ų | 119 | 109.9 Ų | 109.9 | 64% | 0.636 | 58% | 0.581 | S | S | * | * | trans | 34.5 | 63.6 | 148.5 | -151.2 | 52 | 0 | 0 | 0 | 116.6 | T343 W347 K368 | T343-D345 PolarHBondContact O-N 3.36Å; D345-W347 PolarHBondContact O-N 3.04Å; D345-K368 PolarHBondContact O-NZ 2.8Å; D345-K368 IonicContact OD2-NZ 3.19Å; D345-K368 PolarHBondContact OD2-NZ 3.25Å | ||
| 346 | Q | 72.5 | Confident | 62.1 | Low | 145 Ų | 145 | 105.9 Ų | 105.9 | 68% | 0.678 | 56% | 0.559 | S | S | * | * | trans | -64 | 129.7 | 176.3 | -74.6 | -170.8 | -23.8 | 0 | 0 | 111.4 | G344 N356 | G344-Q346 PolarHBondContact O-N 2.63Å; G344-Q346 VanDerWaalsContact O-N 3.1Å; Q346-N356 WeakPolarHBondContact CA-O 3.37Å | ||
| 347 | W | 83.7 | Confident | 64 | Low | 21 Ų | 21 | 102.7 Ų | 102.7 | 8% | 0.08 | 56% | 0.555 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -121.3 | 144.1 | 170.9 | 65.8 | -77.9 | 0 | 0 | 0 | 110.7 | D345 C349 N356 G358 C361 E366 K368 P369 | D345-W347 PolarHBondContact O-N 3.04Å; W347-C349 HydrophobicContact CH2-CB 4.47Å; W347-C349 HydrophobicContact CZ3-CB 3.97Å; W347-N356 HydrophobicContact CD2-CB 4.15Å; W347-N356 HydrophobicContact CG-CB 4.48Å; W347-N356 HydrophobicContact CZ2-CB 3.77Å; W347-N356 PolarHBondContact N-O 2.81Å; W347-N356 PolarHBondContact O-N 2.75Å; W347-G358 PolarHBondContact NE1-O 3.31Å; W347-C361 HydrophobicContact CH2-CB 3.95Å; W347-C361 HydrophobicContact CZ2-CB 4.46Å; W347-E366 WeakPolarHBondContact CH2-O 3.14Å; W347-K368 HydrophobicContact CD2-CB 4.06Å; W347-K368 HydrophobicContact CD2-CD 4.36Å; W347-K368 HydrophobicContact CD2-CG 3.76Å; W347-K368 HydrophobicContact CE3-CG 4.4Å; W347-K368 HydrophobicContact CG-CD 3.95Å; W347-K368 HydrophobicContact CG-CG 3.81Å; W347-K368 HydrophobicContact CH2-CB 4.25Å; W347-K368 VanDerWaalsContact CZ2-CA 3.48Å; W347-K368 HydrophobicContact CZ2-CB 3.69Å; W347-K368 HydrophobicContact CZ2-CG 4.34Å; W347-P369 HydrophobicContact CE3-CG 4.38Å; W347-P369 HydrophobicContact CZ3-CG 4.38Å |
| 348 | T | 86 | Confident | 65.9 | Low | 79 Ų | 79 | 95.8 Ų | 95.8 | 49% | 0.485 | 53% | 0.534 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 130.9 | 174.5 | -51.8 | 0 | 0 | 0 | 0 | 109 | P350 G353 E354 | T348-P350 WeakPolarHBondContact O-CD 3.45Å; T348-G353 VanDerWaalsContact CG2-O 3.28Å; T348-G353 WeakPolarHBondContact CG2-O 3.47Å; T348-E354 CarbonylContact C-O 3.59Å; T348-E354 WeakPolarHBondContact CA-O 3.22Å |
| 349 | C | 88.6 | Confident | 68.1 | Low | 1 Ų | 1 | 101.2 Ų | 101.2 | 1% | 0.007 | 55% | 0.546 | C | S | . | . | trans | -68 | 122.1 | 178.1 | 179.7 | 0 | 0 | 0 | 0 | 110.3 | W347 K351 G353 E354 C361 | W347-C349 HydrophobicContact CH2-CB 4.47Å; W347-C349 HydrophobicContact CZ3-CB 3.97Å; C349-K351 PolarHBondContact O-N 2.77Å; C349-G353 WeakPolarHBondContact O-CA 3.5Å; C349-G353 PolarHBondContact O-N 2.8Å; C349-E354 PolarHBondContact N-O 3.14Å; C349-C361 HydrophobicContact CB-CB 4.15Å | ||
| 350 | P | 82.7 | Confident | 70.6 | Confident | 105 Ų | 105 | 98.7 Ų | 98.7 | 68% | 0.682 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -17.8 | -178.1 | 28.1 | -35 | 0 | 0 | 0 | 113.3 | T348 P369 | T348-P350 WeakPolarHBondContact O-CD 3.45Å; P350-P369 HydrophobicContact CG-CG 4.1Å |
| 351 | K | 83.2 | Confident | 73.4 | Confident | 141 Ų | 141 | 90.2 Ų | 90.2 | 61% | 0.613 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | -37.1 | -177.2 | -174.5 | 179.7 | -177.8 | -176 | 0 | 113.9 | C349 E366 | C349-K351 PolarHBondContact O-N 2.77Å; K351-E366 HydrophobicContact CB-CG 4.45Å; K351-E366 HydrophobicContact CD-CB 4.31Å; K351-E366 HydrophobicContact CD-CG 4.1Å; K351-E366 WeakPolarHBondContact CD-OE2 3.44Å; K351-E366 WeakPolarHBondContact CE-OE2 3.44Å; K351-E366 IonicContact NZ-OE2 2.87Å; K351-E366 PolarHBondContact NZ-OE2 3.36Å |
| 352 | C | 87.3 | Confident | 75.9 | Confident | 57 Ų | 57 | 86.3 Ų | 86.3 | 39% | 0.385 | 49% | 0.49 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -127.7 | -7.3 | -174.7 | 67.3 | 0 | 0 | 0 | 0 | 115.2 | E354 C361 C364 | C352-E354 VanDerWaalsContact C-N 3.28Å; C352-E354 PolarHBondContact O-N 2.92Å; C352-C361 VanDerWaalsContact SG-SG 3.62Å; C352-C364 HydrophobicContact CB-CB 4.41Å; C352-C364 PolarHBondContact SG-SG 3.25Å |
| 353 | G | 82 | Confident | 78.3 | Confident | 49 Ų | 49 | 83.6 Ų | 83.6 | 51% | 0.505 | 48% | 0.475 | S | S | . | . | trans | 80 | -2.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | T348 C349 | T348-G353 VanDerWaalsContact CG2-O 3.28Å; T348-G353 WeakPolarHBondContact CG2-O 3.47Å; C349-G353 WeakPolarHBondContact O-CA 3.5Å; C349-G353 PolarHBondContact O-N 2.8Å | ||
| 354 | E | 86.7 | Confident | 80.9 | Confident | 73 Ų | 73 | 79.1 Ų | 79.1 | 34% | 0.341 | 45% | 0.449 | S | S | . | . | trans | -65.7 | 146.3 | 179.7 | -168.6 | 59.1 | -100.1 | 0 | 0 | 112.6 | T348 C349 C352 N356 N363 | T348-E354 CarbonylContact C-O 3.59Å; T348-E354 WeakPolarHBondContact CA-O 3.22Å; C349-E354 PolarHBondContact N-O 3.14Å; C352-E354 VanDerWaalsContact C-N 3.28Å; C352-E354 PolarHBondContact O-N 2.92Å; E354-N356 PolarHBondContact O-ND2 3.45Å; E354-N363 HydrophobicContact CB-CB 4.02Å; E354-N363 HydrophobicContact CG-CB 3.85Å; E354-N363 PolarHBondContact OE2-ND2 2.71Å | ||
| 355 | K | 88.5 | Confident | 82.7 | Confident | 131 Ų | 131 | 79.7 Ų | 79.7 | 57% | 0.57 | 46% | 0.455 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 127.1 | 175.2 | -72.2 | -173.9 | 178 | -176.3 | 0 | 111.7 | ||
| 356 | N | 84.7 | Confident | 83.9 | Confident | 8 Ų | 8 | 77.2 Ų | 77.2 | 4% | 0.043 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 150.5 | -169.6 | -60.8 | -85.9 | 0 | 0 | 0 | 111.5 | Q346 W347 E354 C361 S362 | Q346-N356 WeakPolarHBondContact CA-O 3.37Å; W347-N356 HydrophobicContact CD2-CB 4.15Å; W347-N356 HydrophobicContact CG-CB 4.48Å; W347-N356 HydrophobicContact CZ2-CB 3.77Å; W347-N356 PolarHBondContact N-O 2.81Å; W347-N356 PolarHBondContact O-N 2.75Å; E354-N356 PolarHBondContact O-ND2 3.45Å; N356-C361 PolarHBondContact ND2-SG 3.01Å; N356-C361 VanDerWaalsContact ND2-SG 3.4Å; N356-C361 VanDerWaalsContact OD1-CA 3.24Å; N356-C361 WeakPolarHBondContact OD1-CA 3.45Å; N356-S362 PolarHBondContact OD1-N 3.46Å; N356-S362 PolarHBondContact OD1-OG 3.37Å |
| 357 | S | 81.3 | Confident | 84.4 | Confident | 98 Ų | 98 | 73.6 Ų | 73.6 | 69% | 0.685 | 43% | 0.428 | S | S | * | . | trans | -118.9 | -8.6 | 171.1 | 54 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 358 | G | 79.6 | Confident | 84.3 | Confident | 39 Ų | 39 | 76 Ų | 76 | 40% | 0.402 | 44% | 0.439 | S | S | . | . | S | Bend | trans | -86.3 | 179 | 178 | 0 | 0 | 0 | 0 | 0 | 114.1 | W347 F360 | W347-G358 PolarHBondContact NE1-O 3.31Å; G358-F360 VanDerWaalsContact C-N 3.26Å; G358-F360 PolarHBondContact O-N 2.81Å |
| 359 | K | 81.2 | Confident | 83.7 | Confident | 173 Ų | 173 | 75.6 Ų | 75.6 | 75% | 0.752 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -70.6 | -18.8 | 173.8 | -69.7 | -174.3 | 178.4 | -178.5 | 0 | 113.9 | P367 K368 | K359-P367 WeakPolarHBondContact O-CA 3.2Å; K359-K368 PolarHBondContact O-N 2.83Å |
| 360 | F | 83.3 | Confident | 82.4 | Confident | 128 Ų | 128 | 79.5 Ų | 79.5 | 56% | 0.561 | 47% | 0.471 | S | S | * | . | B | Isolated β-bridge | trans | -132.2 | 158.6 | 179.4 | -56.9 | -82.8 | 0 | 0 | 0 | 109.5 | G358 G365 E366 P367 | G358-F360 VanDerWaalsContact C-N 3.26Å; G358-F360 PolarHBondContact O-N 2.81Å; F360-G365 WeakPolarHBondContact CD1-O 3.43Å; F360-E366 CarbonylContact C-O 3.51Å; F360-E366 WeakPolarHBondContact CA-O 3.23Å; F360-P367 HydrophobicContact CD1-CB 3.95Å; F360-P367 HydrophobicContact CE1-CB 4.03Å |
| 361 | C | 89.7 | Confident | 80.8 | Confident | 5 Ų | 5 | 80 Ų | 80 | 3% | 0.034 | 47% | 0.474 | C | S | . | . | trans | -74.4 | 125.1 | 174.5 | 178.9 | 0 | 0 | 0 | 0 | 110.3 | W347 C349 C352 N356 N363 C364 G365 E366 | W347-C361 HydrophobicContact CH2-CB 3.95Å; W347-C361 HydrophobicContact CZ2-CB 4.46Å; C349-C361 HydrophobicContact CB-CB 4.15Å; C352-C361 VanDerWaalsContact SG-SG 3.62Å; N356-C361 PolarHBondContact ND2-SG 3.01Å; N356-C361 VanDerWaalsContact ND2-SG 3.4Å; N356-C361 VanDerWaalsContact OD1-CA 3.24Å; N356-C361 WeakPolarHBondContact OD1-CA 3.45Å; C361-N363 PolarHBondContact O-N 2.9Å; C361-N363 PolarHBondContact SG-N 2.93Å; C361-C364 VanDerWaalsContact SG-SG 3.62Å; C361-G365 WeakPolarHBondContact O-CA 3.5Å; C361-G365 PolarHBondContact O-N 3.18Å; C361-E366 HydrophobicContact CB-CB 4.31Å; C361-E366 WeakPolarHBondContact CB-O 3.35Å; C361-E366 PolarHBondContact N-O 3.27Å | ||
| 362 | S | 83.7 | Confident | 78.6 | Confident | 105 Ų | 105 | 79.9 Ų | 79.9 | 73% | 0.734 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -19.7 | 179.6 | 53.9 | 0 | 0 | 0 | 0 | 114.3 | N356 | N356-S362 PolarHBondContact OD1-N 3.46Å; N356-S362 PolarHBondContact OD1-OG 3.37Å |
| 363 | N | 83.4 | Confident | 76 | Confident | 104 Ų | 104 | 81.5 Ų | 81.5 | 56% | 0.556 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.4 | -37.8 | -176.2 | -168 | -21.2 | 0 | 0 | 0 | 112.3 | E354 C361 | E354-N363 HydrophobicContact CB-CB 4.02Å; E354-N363 HydrophobicContact CG-CB 3.85Å; E354-N363 PolarHBondContact OE2-ND2 2.71Å; C361-N363 PolarHBondContact O-N 2.9Å; C361-N363 PolarHBondContact SG-N 2.93Å |
| 364 | C | 89.4 | Confident | 73.8 | Confident | 43 Ų | 43 | 83.5 Ų | 83.5 | 29% | 0.291 | 51% | 0.505 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -130.2 | 8.3 | -174.5 | 71.1 | 0 | 0 | 0 | 0 | 116.3 | C352 C361 E366 | C352-C364 HydrophobicContact CB-CB 4.41Å; C352-C364 PolarHBondContact SG-SG 3.25Å; C361-C364 VanDerWaalsContact SG-SG 3.62Å; C364-E366 PolarHBondContact O-N 2.98Å |
| 365 | G | 81.5 | Confident | 71.4 | Confident | 50 Ų | 50 | 83.8 Ų | 83.8 | 52% | 0.515 | 52% | 0.52 | S | S | . | . | trans | 72.9 | -10.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | F360 C361 | F360-G365 WeakPolarHBondContact CD1-O 3.43Å; C361-G365 WeakPolarHBondContact O-CA 3.5Å; C361-G365 PolarHBondContact O-N 3.18Å | ||
| 366 | E | 83.6 | Confident | 69 | Low | 67 Ų | 67 | 84.7 Ų | 84.7 | 31% | 0.313 | 52% | 0.524 | S | S | . | . | P | Polyproline II helix | trans | -58.4 | 132 | -176.3 | -157.6 | 65.5 | -144.6 | 0 | 0 | 112 | W347 K351 F360 C361 C364 | W347-E366 WeakPolarHBondContact CH2-O 3.14Å; K351-E366 HydrophobicContact CB-CG 4.45Å; K351-E366 HydrophobicContact CD-CB 4.31Å; K351-E366 HydrophobicContact CD-CG 4.1Å; K351-E366 WeakPolarHBondContact CD-OE2 3.44Å; K351-E366 WeakPolarHBondContact CE-OE2 3.44Å; K351-E366 IonicContact NZ-OE2 2.87Å; K351-E366 PolarHBondContact NZ-OE2 3.36Å; F360-E366 CarbonylContact C-O 3.51Å; F360-E366 WeakPolarHBondContact CA-O 3.23Å; C361-E366 HydrophobicContact CB-CB 4.31Å; C361-E366 WeakPolarHBondContact CB-O 3.35Å; C361-E366 PolarHBondContact N-O 3.27Å; C364-E366 PolarHBondContact O-N 2.98Å |
| 367 | P | 82.7 | Confident | 67.3 | Low | 68 Ų | 68 | 89.8 Ų | 89.8 | 44% | 0.442 | 55% | 0.55 | S | S | . | . | B | Isolated β-bridge | trans | -64.8 | 152.5 | 179.2 | 25.6 | -33.8 | 0 | 0 | 0 | 112.8 | K359 F360 P369 | K359-P367 WeakPolarHBondContact O-CA 3.2Å; F360-P367 HydrophobicContact CD1-CB 3.95Å; F360-P367 HydrophobicContact CE1-CB 4.03Å; P367-P369 WeakPolarHBondContact O-CD 3.25Å |
| 368 | K | 82.1 | Confident | 66.4 | Low | 71 Ų | 71 | 90.6 Ų | 90.6 | 31% | 0.309 | 54% | 0.543 | S | S | . | . | P | Polyproline II helix | trans | -57.1 | 124.6 | 171.1 | -179.3 | 171.1 | -176.5 | 170 | 0 | 108.5 | D345 W347 K359 A370 | D345-K368 PolarHBondContact O-NZ 2.8Å; D345-K368 IonicContact OD2-NZ 3.19Å; D345-K368 PolarHBondContact OD2-NZ 3.25Å; W347-K368 HydrophobicContact CD2-CB 4.06Å; W347-K368 HydrophobicContact CD2-CD 4.36Å; W347-K368 HydrophobicContact CD2-CG 3.76Å; W347-K368 HydrophobicContact CE3-CG 4.4Å; W347-K368 HydrophobicContact CG-CD 3.95Å; W347-K368 HydrophobicContact CG-CG 3.81Å; W347-K368 HydrophobicContact CH2-CB 4.25Å; W347-K368 VanDerWaalsContact CZ2-CA 3.48Å; W347-K368 HydrophobicContact CZ2-CB 3.69Å; W347-K368 HydrophobicContact CZ2-CG 4.34Å; K359-K368 PolarHBondContact O-N 2.83Å; K368-A370 PolarHBondContact O-N 3.11Å |
| 369 | P | 73.2 | Confident | 65.6 | Low | 71 Ų | 71 | 91.7 Ų | 91.7 | 46% | 0.461 | 54% | 0.538 | S | S | . | . | trans | -53.9 | 115.1 | 175.6 | -26.9 | 34.3 | 0 | 0 | 0 | 109.7 | W347 P350 P367 | W347-P369 HydrophobicContact CE3-CG 4.38Å; W347-P369 HydrophobicContact CZ3-CG 4.38Å; P350-P369 HydrophobicContact CG-CG 4.1Å; P367-P369 WeakPolarHBondContact O-CD 3.25Å | ||
| 370 | A | 61.5 | Low | 65 | Low | 84 Ų | 84 | 90.7 Ų | 90.7 | 69% | 0.694 | 53% | 0.534 | S | S | * | . | trans | -64.5 | 128.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 107.9 | K368 T372 | K368-A370 PolarHBondContact O-N 3.11Å; A370-T372 PolarHBondContact O-N 2.77Å | ||
| 371 | P | 48.9 | Very low | 64.2 | Low | 115 Ų | 115 | 85.6 Ų | 85.6 | 75% | 0.747 | 51% | 0.514 | S | S | * | . | trans | -58.2 | 136.1 | 167.9 | 26.1 | -32.6 | 0 | 0 | 0 | 107.7 | A373 | P371-A373 PolarHBondContact O-N 3.03Š| ||
| 372 | T | 36.3 | Very low | 63.1 | Low | 139 Ų | 139 | 89 Ų | 89 | 85% | 0.853 | 54% | 0.537 | S | S | * | . | trans | -70 | 62.2 | -169.9 | -34.3 | 0 | 0 | 0 | 0 | 112.6 | A370 T374 | A370-T372 PolarHBondContact O-N 2.77Å; T372-T374 VanDerWaalsContact C-N 3.29Å; T372-T374 PolarHBondContact O-N 3.28Å | ||
| 373 | A | 33.6 | Very low | 62 | Low | 90 Ų | 90 | 90.3 Ų | 90.3 | 74% | 0.744 | 54% | 0.537 | S | S | * | . | trans | -76.8 | 85.6 | 169.1 | 0 | 0 | 0 | 0 | 0 | 107.6 | P371 A375 | P371-A373 PolarHBondContact O-N 3.03Å; A373-A375 PolarHBondContact O-N 3.07Å | ||
| 374 | T | 34.6 | Very low | 61.5 | Low | 91 Ų | 91 | 88.1 Ų | 88.1 | 56% | 0.558 | 53% | 0.528 | S | S | * | . | trans | -51.5 | 106.3 | 161.8 | 37.3 | 0 | 0 | 0 | 0 | 108 | T372 K376 | T372-T374 VanDerWaalsContact C-N 3.29Å; T372-T374 PolarHBondContact O-N 3.28Å; T374-K376 PolarHBondContact O-N 3.49Å; T374-K376 VanDerWaalsContact O-N 3.12Å | ||
| 375 | A | 35.7 | Very low | 60.3 | Low | 79 Ų | 79 | 87.9 Ų | 87.9 | 65% | 0.653 | 53% | 0.534 | S | S | * | . | trans | -60.7 | 118.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 107.3 | A373 I377 | A373-A375 PolarHBondContact O-N 3.07Å; A375-I377 VanDerWaalsContact C-N 3.27Å; A375-I377 PolarHBondContact O-N 3.49Å | ||
| 376 | K | 39.7 | Very low | 59.9 | Low | 151 Ų | 151 | 89.9 Ų | 89.9 | 66% | 0.657 | 53% | 0.53 | S | S | * | . | trans | -70.7 | 84.5 | -179 | -67.3 | -175.8 | 175.9 | -172.9 | 0 | 109.7 | T374 Q378 | T374-K376 PolarHBondContact O-N 3.49Å; T374-K376 VanDerWaalsContact O-N 3.12Å; K376-Q378 PolarHBondContact O-N 3.46Å | ||
| 377 | I | 48.4 | Very low | 59.2 | Low | 114 Ų | 114 | 89.9 Ų | 89.9 | 59% | 0.585 | 53% | 0.534 | S | S | * | . | trans | -71.8 | 111.4 | 171 | -50.2 | 176.5 | 0 | 0 | 0 | 106.2 | A375 L390 | A375-I377 VanDerWaalsContact C-N 3.27Å; A375-I377 PolarHBondContact O-N 3.49Å; I377-L390 HydrophobicContact CB-CB 4.31Å; I377-L390 HydrophobicContact CB-CD1 4.39Å; I377-L390 HydrophobicContact CG2-CD1 3.88Å; I377-L390 VanDerWaalsContact O-CB 3.24Å; I377-L390 WeakPolarHBondContact O-CB 3.48Å; I377-L390 WeakPolarHBondContact O-CG 3.37Å; I377-L390 PolarHBondContact O-N 3.09Å | ||
| 378 | Q | 62.9 | Low | 58.5 | Low | 115 Ų | 115 | 87.3 Ų | 87.3 | 54% | 0.537 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 129.2 | 178 | -66 | -177.6 | -18.8 | 0 | 0 | 109 | K376 V388 | K376-Q378 PolarHBondContact O-N 3.46Å; Q378-V388 WeakPolarHBondContact CA-O 3.29Å |
| 379 | M | 61.6 | Low | 57.7 | Low | 62 Ų | 62 | 87.2 Ų | 87.2 | 31% | 0.305 | 52% | 0.52 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 148.7 | 171.4 | 64.1 | 162.3 | 66.5 | 0 | 0 | 110.1 | T387 V388 L390 V394 I405 | M379-T387 CarbonylContact O-C 3.51Å; M379-T387 WeakPolarHBondContact O-CA 3.48Å; M379-V388 HydrophobicContact CG-CB 4.24Å; M379-V388 PolarHBondContact N-O 3.33Å; M379-V388 PolarHBondContact O-N 2.89Å; M379-L390 HydrophobicContact CB-CD1 4.17Å; M379-L390 HydrophobicContact CE-CD1 3.48Å; M379-L390 VanDerWaalsContact CE-CD1 3.48Å; M379-L390 HydrophobicContact CE-CD2 3.86Å; M379-L390 HydrophobicContact CE-CG 4.27Å; M379-L390 HydrophobicContact CG-CD1 3.89Å; M379-L390 HydrophobicContact CG-CD2 3.92Å; M379-L390 HydrophobicContact CG-CG 4.09Å; M379-L390 HydrophobicContact SD-CD1 4.4Å; M379-L390 HydrophobicContact SD-CD2 4.14Å; M379-V394 HydrophobicContact CE-CG1 4.27Å; M379-V394 HydrophobicContact CE-CG2 4.48Å; M379-I405 HydrophobicContact SD-CG2 4.5Å |
| 380 | K | 69.6 | Low | 57.1 | Low | 153 Ų | 153 | 85 Ų | 85 | 67% | 0.665 | 50% | 0.504 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90 | 130.9 | 166.6 | -83 | -170.2 | 170.2 | -170.1 | 0 | 110.4 | S382 G385 E386 T387 | K380-S382 PolarHBondContact O-N 3.36Å; K380-G385 WeakPolarHBondContact CD-O 3.48Å; K380-E386 CarbonylContact C-O 3.59Å; K380-E386 WeakPolarHBondContact CA-O 3.25Å; K380-T387 HydrophobicContact CD-CG2 4.41Å; K380-T387 HydrophobicContact CG-CG2 3.56Å |
| 381 | C | 66.8 | Low | 56.8 | Low | 21 Ų | 21 | 82.7 Ų | 82.7 | 14% | 0.142 | 48% | 0.483 | C | S | . | . | trans | -63.4 | 129.3 | 163.1 | 178.7 | 0 | 0 | 0 | 0 | 108.9 | C384 G385 E386 | C381-C384 VanDerWaalsContact CB-SG 3.55Å; C381-G385 WeakPolarHBondContact O-CA 3.42Å; C381-G385 PolarHBondContact O-N 3.48Å; C381-E386 PolarHBondContact N-O 2.7Å | ||
| 382 | S | 66.6 | Low | 57.1 | Low | 75 Ų | 75 | 85.4 Ų | 85.4 | 52% | 0.524 | 49% | 0.491 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -27.5 | -178.3 | 51 | 0 | 0 | 0 | 0 | 113.9 | K380 F408 | K380-S382 PolarHBondContact O-N 3.36Å; S382-F408 WeakPolarHBondContact OG-CE1 3.26Å; S382-F408 WeakPolarHBondContact OG-CZ 3.49Å |
| 383 | D | 60.7 | Low | 58 | Low | 134 Ų | 134 | 80.9 Ų | 80.9 | 72% | 0.717 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | -39.8 | -176 | -71.7 | -23.2 | 0 | 0 | 0 | 113.2 | ||
| 384 | C | 71.8 | Confident | 59.4 | Low | 57 Ų | 57 | 81.1 Ų | 81.1 | 39% | 0.385 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | -8.5 | 177.8 | 73.8 | 0 | 0 | 0 | 0 | 114.3 | C381 E386 C401 | C381-C384 VanDerWaalsContact CB-SG 3.55Å; C384-E386 PolarHBondContact O-N 2.84Å; C384-C401 HydrophobicContact CB-CB 4.39Å |
| 385 | G | 64.7 | Low | 60.7 | Low | 39 Ų | 39 | 78.9 Ų | 78.9 | 40% | 0.402 | 45% | 0.451 | S | S | . | . | trans | 77.1 | -7.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | K380 C381 | K380-G385 WeakPolarHBondContact CD-O 3.48Å; C381-G385 WeakPolarHBondContact O-CA 3.42Å; C381-G385 PolarHBondContact O-N 3.48Å | ||
| 386 | E | 73.2 | Confident | 62 | Low | 92 Ų | 92 | 80.4 Ų | 80.4 | 43% | 0.43 | 44% | 0.443 | S | S | . | . | trans | -74.5 | 142.9 | -172.7 | -172 | 51 | -105.6 | 0 | 0 | 113 | K380 C381 C384 V388 | K380-E386 CarbonylContact C-O 3.59Å; K380-E386 WeakPolarHBondContact CA-O 3.25Å; C381-E386 PolarHBondContact N-O 2.7Å; C384-E386 PolarHBondContact O-N 2.84Å; E386-V388 PolarHBondContact O-N 3.24Å | ||
| 387 | T | 68.4 | Low | 62.9 | Low | 66 Ų | 66 | 78.5 Ų | 78.5 | 41% | 0.405 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 107.3 | 176.9 | 25.5 | 0 | 0 | 0 | 0 | 112 | M379 K380 | M379-T387 CarbonylContact O-C 3.51Å; M379-T387 WeakPolarHBondContact O-CA 3.48Å; K380-T387 HydrophobicContact CD-CG2 4.41Å; K380-T387 HydrophobicContact CG-CG2 3.56Å |
| 388 | V | 67.7 | Low | 63.8 | Low | 15 Ų | 15 | 73.3 Ų | 73.3 | 9% | 0.091 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 126 | 174.1 | -175.9 | 0 | 0 | 0 | 0 | 109.9 | Q378 M379 E386 L390 P395 | Q378-V388 WeakPolarHBondContact CA-O 3.29Å; M379-V388 HydrophobicContact CG-CB 4.24Å; M379-V388 PolarHBondContact N-O 3.33Å; M379-V388 PolarHBondContact O-N 2.89Å; E386-V388 PolarHBondContact O-N 3.24Å; V388-L390 HydrophobicContact CG1-CD2 4.2Å; V388-P395 HydrophobicContact CG1-CG 3.97Å |
| 389 | D | 64.6 | Low | 64 | Low | 69 Ų | 69 | 72.8 Ų | 72.8 | 37% | 0.369 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 120 | 173.5 | -167.6 | -29.6 | 0 | 0 | 0 | 110.3 | S391 | D389-S391 WeakPolarHBondContact OD1-CB 3.44Å; D389-S391 PolarHBondContact OD1-N 2.7Å; D389-S391 PolarHBondContact OD1-OG 2.83Å |
| 390 | L | 60.8 | Low | 64.2 | Low | 24 Ų | 24 | 76.9 Ų | 76.9 | 13% | 0.126 | 43% | 0.433 | C | S | . | . | trans | -96.2 | 14.6 | -176 | -50.5 | 172.3 | 0 | 0 | 0 | 112.8 | I377 M379 V388 N392 G393 V394 | I377-L390 HydrophobicContact CB-CB 4.31Å; I377-L390 HydrophobicContact CB-CD1 4.39Å; I377-L390 HydrophobicContact CG2-CD1 3.88Å; I377-L390 VanDerWaalsContact O-CB 3.24Å; I377-L390 WeakPolarHBondContact O-CB 3.48Å; I377-L390 WeakPolarHBondContact O-CG 3.37Å; I377-L390 PolarHBondContact O-N 3.09Å; M379-L390 HydrophobicContact CB-CD1 4.17Å; M379-L390 HydrophobicContact CE-CD1 3.48Å; M379-L390 VanDerWaalsContact CE-CD1 3.48Å; M379-L390 HydrophobicContact CE-CD2 3.86Å; M379-L390 HydrophobicContact CE-CG 4.27Å; M379-L390 HydrophobicContact CG-CD1 3.89Å; M379-L390 HydrophobicContact CG-CD2 3.92Å; M379-L390 HydrophobicContact CG-CG 4.09Å; M379-L390 HydrophobicContact SD-CD1 4.4Å; M379-L390 HydrophobicContact SD-CD2 4.14Å; V388-L390 HydrophobicContact CG1-CD2 4.2Å; L390-N392 PolarHBondContact O-N 2.88Å; L390-G393 PolarHBondContact O-N 3.41Å; L390-V394 HydrophobicContact CD2-CG2 4.32Å | ||
| 391 | S | 55.6 | Low | 63.6 | Low | 36 Ų | 36 | 72.1 Ų | 72.1 | 25% | 0.252 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -15.8 | -179.3 | -63.9 | 0 | 0 | 0 | 0 | 114.5 | D389 | D389-S391 WeakPolarHBondContact OD1-CB 3.44Å; D389-S391 PolarHBondContact OD1-N 2.7Å; D389-S391 PolarHBondContact OD1-OG 2.83Å |
| 392 | N | 55.4 | Low | 63.1 | Low | 172 Ų | 172 | 76.5 Ų | 76.5 | 92% | 0.92 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.7 | 20.9 | 175.7 | -64.3 | -43.5 | 0 | 0 | 0 | 113.3 | L390 | L390-N392 PolarHBondContact O-N 2.88Š|
| 393 | G | 56.2 | Low | 62.6 | Low | 43 Ų | 43 | 78.9 Ų | 78.9 | 44% | 0.443 | 45% | 0.447 | S | S | . | . | trans | 92.5 | 173.8 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | L390 P395 | L390-G393 PolarHBondContact O-N 3.41Å; G393-P395 WeakPolarHBondContact O-CD 3.45Å | ||
| 394 | V | 63.2 | Low | 62 | Low | 95 Ų | 95 | 75.8 Ų | 75.8 | 58% | 0.576 | 43% | 0.431 | S | S | * | . | trans | -79.3 | 115.9 | 179.6 | -173.7 | 0 | 0 | 0 | 0 | 109.7 | M379 L390 I405 | M379-V394 HydrophobicContact CE-CG1 4.27Å; M379-V394 HydrophobicContact CE-CG2 4.48Å; L390-V394 HydrophobicContact CD2-CG2 4.32Å; V394-I405 HydrophobicContact CG1-CG2 4.33Å | ||
| 395 | P | 61.9 | Low | 61.2 | Low | 44 Ų | 44 | 74.8 Ų | 74.8 | 29% | 0.286 | 42% | 0.421 | S | S | . | . | trans | -70.2 | 135.2 | 172.3 | 30.1 | -33.1 | 0 | 0 | 0 | 109.4 | V388 G393 F397 I405 | V388-P395 HydrophobicContact CG1-CG 3.97Å; G393-P395 WeakPolarHBondContact O-CD 3.45Å; P395-F397 PolarHBondContact O-N 2.81Å; P395-I405 WeakPolarHBondContact O-CD1 3.23Å | ||
| 396 | K | 61.5 | Low | 60.3 | Low | 112 Ų | 112 | 79.4 Ų | 79.4 | 49% | 0.487 | 43% | 0.432 | S | S | . | . | S | Bend | trans | -57.8 | -31.8 | 179.4 | -90.2 | -175.1 | 174.6 | -87.3 | 0 | 113.6 | I405 E406 | K396-I405 PolarHBondContact O-N 3.18Å; K396-E406 WeakPolarHBondContact CE-OE1 3.33Å; K396-E406 IonicContact NZ-OE1 3.5Å; K396-E406 PolarHBondContact NZ-OE1 3.04Å; K396-E406 IonicContact NZ-OE2 2.86Å; K396-E406 PolarHBondContact NZ-OE2 2.88Å |
| 397 | F | 60 | Low | 58.8 | Low | 111 Ų | 111 | 83.2 Ų | 83.2 | 49% | 0.487 | 45% | 0.447 | S | S | . | . | B | Isolated β-bridge | trans | -119.1 | 140.7 | -179.7 | -52.4 | -74.7 | 0 | 0 | 0 | 110.3 | P395 P399 E403 D404 | P395-F397 PolarHBondContact O-N 2.81Å; F397-P399 WeakPolarHBondContact O-CD 3.41Å; F397-E403 WeakPolarHBondContact CA-O 3.29Å; F397-D404 WeakPolarHBondContact CE1-OD1 3.16Å |
| 398 | C | 66.1 | Low | 57.3 | Low | 4 Ų | 4 | 86.4 Ų | 86.4 | 3% | 0.027 | 46% | 0.456 | C | S | . | . | trans | -62.5 | 123.6 | 168.2 | 179.6 | 0 | 0 | 0 | 0 | 109.5 | H400 C401 V402 E403 I405 | C398-H400 PolarHBondContact O-N 3.38Å; C398-C401 PolarHBondContact O-N 2.81Å; C398-V402 PolarHBondContact O-N 3.44Å; C398-V402 VanDerWaalsContact O-N 3.09Å; C398-E403 PolarHBondContact N-O 2.85Å; C398-I405 HydrophobicContact CB-CD1 4.38Å | ||
| 399 | P | 67 | Low | 55.7 | Low | 104 Ų | 104 | 94.3 Ų | 94.3 | 68% | 0.675 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -15.5 | -178.1 | -25.9 | 34.8 | 0 | 0 | 0 | 115 | F397 | F397-P399 WeakPolarHBondContact O-CD 3.41Š|
| 400 | H | 65.5 | Low | 54.2 | Low | 148 Ų | 148 | 95.5 Ų | 95.5 | 69% | 0.685 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.5 | -14.3 | -171.8 | -142 | -56.9 | 0 | 0 | 0 | 114.9 | C398 | C398-H400 PolarHBondContact O-N 3.38Š|
| 401 | C | 57.7 | Low | 52.7 | Low | 53 Ų | 53 | 104 Ų | 104 | 36% | 0.358 | 55% | 0.547 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -139.9 | 1 | -179.8 | 64.5 | 0 | 0 | 0 | 0 | 116.3 | C384 C398 E403 | C384-C401 HydrophobicContact CB-CB 4.39Å; C398-C401 PolarHBondContact O-N 2.81Å; C401-E403 PolarHBondContact O-N 3.43Å |
| 402 | V | 55.8 | Low | 51.4 | Low | 114 Ų | 114 | 111 Ų | 111 | 69% | 0.691 | 58% | 0.576 | S | S | * | * | trans | 58.3 | 46.3 | 165.1 | -158.7 | 0 | 0 | 0 | 0 | 114.4 | C398 | C398-V402 PolarHBondContact O-N 3.44Å; C398-V402 VanDerWaalsContact O-N 3.09Å | ||
| 403 | E | 55.9 | Low | 50.1 | Low | 124 Ų | 124 | 107.1 Ų | 107.1 | 58% | 0.579 | 57% | 0.568 | S | S | * | * | trans | -132.2 | 153.4 | 174.9 | -157.4 | 69.2 | -128.3 | 0 | 0 | 110.3 | F397 C398 C401 | F397-E403 WeakPolarHBondContact CA-O 3.29Å; C398-E403 PolarHBondContact N-O 2.85Å; C401-E403 PolarHBondContact O-N 3.43Å | ||
| 404 | D | 49.4 | Very low | 48.8 | Very low | 70 Ų | 70 | 109.4 Ų | 109.4 | 37% | 0.374 | 58% | 0.583 | S | S | . | * | B | Isolated β-bridge | trans | -68.5 | 129.9 | -174 | -84.7 | -49.7 | 0 | 0 | 0 | 113.5 | F397 | F397-D404 WeakPolarHBondContact CE1-OD1 3.16Å |
| 405 | I | 53.8 | Low | 47.2 | Very low | 35 Ų | 35 | 110.6 Ų | 110.6 | 18% | 0.179 | 59% | 0.593 | C | S | . | * | S | Bend | trans | -83.9 | -13.7 | 178.8 | -59 | -170.7 | 0 | 0 | 0 | 112.8 | M379 V394 P395 K396 C398 K407 | M379-I405 HydrophobicContact SD-CG2 4.5Å; V394-I405 HydrophobicContact CG1-CG2 4.33Å; P395-I405 WeakPolarHBondContact O-CD1 3.23Å; K396-I405 PolarHBondContact O-N 3.18Å; C398-I405 HydrophobicContact CB-CD1 4.38Å; I405-K407 PolarHBondContact O-N 3.28Å |
| 406 | E | 46.7 | Very low | 45.7 | Very low | 137 Ų | 137 | 112.2 Ų | 112.2 | 64% | 0.64 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74 | 11.2 | -173.6 | -70.9 | 177 | -177.4 | 0 | 0 | 115.6 | K396 | K396-E406 WeakPolarHBondContact CE-OE1 3.33Å; K396-E406 IonicContact NZ-OE1 3.5Å; K396-E406 PolarHBondContact NZ-OE1 3.04Å; K396-E406 IonicContact NZ-OE2 2.86Å; K396-E406 PolarHBondContact NZ-OE2 2.88Å |
| 407 | K | 41.7 | Very low | 44.3 | Very low | 171 Ų | 171 | 116.6 Ų | 116.6 | 74% | 0.743 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.5 | 13.7 | -179.2 | -75.9 | -177 | -178.9 | 165.2 | 0 | 115.8 | I405 | I405-K407 PolarHBondContact O-N 3.28Š|
| 408 | F | 36.6 | Very low | 43 | Very low | 133 Ų | 133 | 117.7 Ų | 117.7 | 58% | 0.583 | 64% | 0.643 | S | S | * | * | trans | -97.1 | 99.3 | 179.3 | -74.9 | -83.1 | 0 | 0 | 0 | 112.5 | S382 A410 | S382-F408 WeakPolarHBondContact OG-CE1 3.26Å; S382-F408 WeakPolarHBondContact OG-CZ 3.49Å; F408-A410 PolarHBondContact O-N 3.46Å | ||
| 409 | E | 34 | Very low | 41.3 | Very low | 181 Ų | 181 | 121.3 Ų | 121.3 | 85% | 0.846 | 68% | 0.681 | S | S | * | * | trans | -59.3 | 127.2 | 157.9 | -68.5 | -179.9 | 161.4 | 0 | 0 | 109 | K411 | E409-K411 PolarHBondContact O-N 3.17Š| ||
| 410 | A | 33.3 | Very low | 39.5 | Very low | 94 Ų | 94 | 122.4 Ų | 122.4 | 78% | 0.777 | 69% | 0.686 | S | S | * | * | trans | -65.7 | 101.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | F408 E412 | F408-A410 PolarHBondContact O-N 3.46Å; A410-E412 VanDerWaalsContact C-N 3.27Å; A410-E412 PolarHBondContact O-N 2.88Å | ||
| 411 | K | 30.4 | Very low | 37.6 | Very low | 203 Ų | 203 | 121.2 Ų | 121.2 | 88% | 0.883 | 69% | 0.689 | S | S | * | * | trans | -69.1 | 91.8 | 163.9 | -77.7 | -170.8 | 175 | -178.4 | 0 | 108.4 | E409 A413 | E409-K411 PolarHBondContact O-N 3.17Å; K411-A413 PolarHBondContact O-N 2.98Å | ||
| 412 | E | 28 | Very low | 36.1 | Very low | 182 Ų | 182 | 127 Ų | 127 | 85% | 0.85 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 127 | 163.6 | -67.3 | -172.3 | 139.9 | 0 | 0 | 108.5 | A410 A414 | A410-E412 VanDerWaalsContact C-N 3.27Å; A410-E412 PolarHBondContact O-N 2.88Å; E412-A414 PolarHBondContact O-N 3.05Å |
| 413 | A | 27.8 | Very low | 34.7 | Very low | 91 Ų | 91 | 127.5 Ų | 127.5 | 75% | 0.752 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 125 | 167.4 | 0 | 0 | 0 | 0 | 0 | 106.8 | K411 | K411-A413 PolarHBondContact O-N 2.98Š|
| 414 | A | 29.1 | Very low | 33.4 | Very low | 92 Ų | 92 | 127.1 Ų | 127.1 | 76% | 0.76 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -49.6 | 126.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | E412 A416 | E412-A414 PolarHBondContact O-N 3.05Å; A414-A416 PolarHBondContact O-N 2.84Å |
| 415 | P | 29.1 | Very low | 32.3 | Very low | 120 Ų | 120 | 129.1 Ų | 129.1 | 78% | 0.779 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 134.1 | -173.8 | 21.6 | -31.7 | 0 | 0 | 0 | 109.2 | ||
| 416 | A | 30.9 | Very low | 31.2 | Very low | 78 Ų | 78 | 132.3 Ų | 132.3 | 65% | 0.645 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 146.6 | 169.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | A414 D418 | A414-A416 PolarHBondContact O-N 2.84Å; A416-D418 PolarHBondContact O-N 2.84Å |
| 417 | E | 31.4 | Very low | 30.2 | Very low | 203 Ų | 203 | 135.1 Ų | 135.1 | 95% | 0.949 | 77% | 0.766 | S | S | * | * | trans | -72 | 55.3 | 177.8 | -63.2 | 180 | 153.8 | 0 | 0 | 111.3 | G419 | E417-G419 PolarHBondContact O-N 2.85Š| ||
| 418 | D | 32.9 | Very low | 29.8 | Very low | 134 Ų | 134 | 134.1 Ų | 134.1 | 72% | 0.717 | 76% | 0.764 | S | S | * | * | trans | -65.8 | 117.3 | 165.6 | -80.5 | -40.9 | 0 | 0 | 0 | 107.5 | A416 V420 | A416-D418 PolarHBondContact O-N 2.84Å; D418-V420 PolarHBondContact O-N 3.48Å | ||
| 419 | G | 30 | Very low | 29.6 | Very low | 81 Ų | 81 | 137.6 Ų | 137.6 | 84% | 0.835 | 78% | 0.782 | S | S | * | * | trans | -66.2 | 77.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | E417 T421 | E417-G419 PolarHBondContact O-N 2.85Å; G419-T421 PolarHBondContact O-N 2.84Å | ||
| 420 | V | 29.9 | Very low | 29.7 | Very low | 127 Ų | 127 | 132.8 Ų | 132.8 | 77% | 0.77 | 77% | 0.768 | S | S | * | * | trans | -66.9 | 105.2 | 168.9 | 178.7 | 0 | 0 | 0 | 0 | 107.1 | D418 E422 | D418-V420 PolarHBondContact O-N 3.48Å; V420-E422 PolarHBondContact O-N 3.41Å | ||
| 421 | T | 25.9 | Very low | 29.9 | Very low | 123 Ų | 123 | 135.1 Ų | 135.1 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | trans | -23.9 | 114.2 | 167 | -40.8 | 0 | 0 | 0 | 0 | 111.3 | G419 T423 | G419-T421 PolarHBondContact O-N 2.84Å; T421-T423 PolarHBondContact O-N 3Å | ||
| 422 | E | 26.5 | Very low | 30.7 | Very low | 173 Ų | 173 | 131.4 Ų | 131.4 | 81% | 0.808 | 76% | 0.763 | S | S | * | * | trans | -54.5 | 106.6 | 176.3 | -68.6 | -179.1 | 141.5 | 0 | 0 | 108.9 | V420 T424 | V420-E422 PolarHBondContact O-N 3.41Å; E422-T424 VanDerWaalsContact C-N 3.28Å; E422-T424 PolarHBondContact O-N 2.74Å; E422-T424 PolarHBondContact O-OG1 3.17Å | ||
| 423 | T | 26.7 | Very low | 32 | Very low | 126 Ų | 126 | 126.9 Ų | 126.9 | 77% | 0.773 | 75% | 0.745 | S | S | * | * | trans | -61.1 | 101.8 | 165.2 | -57.5 | 0 | 0 | 0 | 0 | 105.3 | T421 T425 | T421-T423 PolarHBondContact O-N 3Å; T423-T425 PolarHBondContact O-N 2.87Å | ||
| 424 | T | 26.6 | Very low | 33.4 | Very low | 116 Ų | 116 | 125.5 Ų | 125.5 | 71% | 0.712 | 73% | 0.727 | S | S | * | * | trans | -67.9 | 85.3 | -169.5 | -41.3 | 0 | 0 | 0 | 0 | 108.8 | E422 V426 | E422-T424 VanDerWaalsContact C-N 3.28Å; E422-T424 PolarHBondContact O-N 2.74Å; E422-T424 PolarHBondContact O-OG1 3.17Å; T424-V426 HydrophobicContact CG2-CG2 4.47Å; T424-V426 PolarHBondContact O-N 3.36Å | ||
| 425 | T | 27.9 | Very low | 35.4 | Very low | 112 Ų | 112 | 124 Ų | 124 | 69% | 0.687 | 71% | 0.706 | S | S | * | * | trans | -67.5 | 92 | 165.7 | 37.4 | 0 | 0 | 0 | 0 | 105.6 | T423 K427 | T423-T425 PolarHBondContact O-N 2.87Å; T425-K427 VanDerWaalsContact C-N 3.34Å; T425-K427 PolarHBondContact O-N 2.78Å | ||
| 426 | V | 29.6 | Very low | 37.7 | Very low | 101 Ų | 101 | 123.7 Ų | 123.7 | 61% | 0.612 | 70% | 0.697 | S | S | * | * | trans | -58 | 103.5 | 172.7 | 179.4 | 0 | 0 | 0 | 0 | 106.1 | T424 E428 | T424-V426 HydrophobicContact CG2-CG2 4.47Å; T424-V426 PolarHBondContact O-N 3.36Å; V426-E428 HydrophobicContact CG1-CG 3.93Å; V426-E428 PolarHBondContact O-N 3.24Å | ||
| 427 | K | 27.2 | Very low | 39.9 | Very low | 196 Ų | 196 | 122.6 Ų | 122.6 | 85% | 0.852 | 68% | 0.678 | S | S | * | * | trans | -73.8 | 68.6 | 172.7 | -69.9 | -177.4 | 178.7 | 178.1 | 0 | 108.6 | T425 E429 | T425-K427 VanDerWaalsContact C-N 3.34Å; T425-K427 PolarHBondContact O-N 2.78Å; K427-E429 PolarHBondContact O-N 2.97Å | ||
| 428 | E | 31.8 | Very low | 42.1 | Very low | 151 Ų | 151 | 118.7 Ų | 118.7 | 71% | 0.706 | 66% | 0.663 | S | S | * | * | trans | -68.6 | 118.3 | 159.2 | -90.4 | 169.3 | -158.9 | 0 | 0 | 107.2 | V426 S430 | V426-E428 HydrophobicContact CG1-CG 3.93Å; V426-E428 PolarHBondContact O-N 3.24Å; E428-S430 PolarHBondContact O-N 2.91Å | ||
| 429 | E | 32 | Very low | 44.4 | Very low | 205 Ų | 205 | 112.4 Ų | 112.4 | 96% | 0.958 | 63% | 0.63 | S | S | * | * | trans | -71 | 68 | 171.1 | -65.7 | -179.3 | 144.8 | 0 | 0 | 109.2 | K427 | K427-E429 PolarHBondContact O-N 2.97Š| ||
| 430 | S | 36.1 | Very low | 46.8 | Very low | 80 Ų | 80 | 112.1 Ų | 112.1 | 56% | 0.559 | 61% | 0.613 | S | S | * | * | trans | -101.7 | 139.6 | 174.9 | 58.2 | 0 | 0 | 0 | 0 | 110.2 | E428 D432 | E428-S430 PolarHBondContact O-N 2.91Å; S430-D432 PolarHBondContact O-N 3.17Å; S430-D432 VanDerWaalsContact O-N 3.08Å | ||
| 431 | T | 38.3 | Very low | 49.2 | Very low | 144 Ų | 144 | 106.8 Ų | 106.8 | 88% | 0.883 | 58% | 0.582 | S | S | * | * | trans | -82.5 | 24 | -165.6 | 40.7 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 432 | D | 48.1 | Very low | 51.9 | Low | 124 Ų | 124 | 101 Ų | 101 | 66% | 0.663 | 55% | 0.546 | S | S | * | . | trans | -101.3 | 113.5 | -174.6 | -68.4 | -33.7 | 0 | 0 | 0 | 111.4 | S430 V434 | S430-D432 PolarHBondContact O-N 3.17Å; S430-D432 VanDerWaalsContact O-N 3.08Å; D432-V434 HydrophobicContact CB-CG2 4.44Å; D432-V434 PolarHBondContact O-N 3.36Å | ||
| 433 | D | 54.4 | Low | 54.5 | Low | 88 Ų | 88 | 93.2 Ų | 93.2 | 47% | 0.471 | 51% | 0.512 | S | S | . | . | trans | -69.5 | 33 | -176.1 | -142.4 | -26.1 | 0 | 0 | 0 | 113 | H450 K577 | D433-H450 VanDerWaalsContact C-NE2 3.26Å; D433-H450 PolarHBondContact O-CD2 3.13Å; D433-H450 IonicContact OD1-CD2 3.31Å; D433-K577 IonicContact OD1-NZ 2.99Å; D433-K577 PolarHBondContact OD1-NZ 2.89Å; D433-K577 IonicContact OD2-NZ 3.39Å; D433-K577 PolarHBondContact OD2-NZ 2.94Å | ||
| 434 | V | 57.3 | Low | 57 | Low | 61 Ų | 61 | 87.2 Ų | 87.2 | 37% | 0.37 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 129.2 | -155.5 | -150.1 | 0 | 0 | 0 | 0 | 112.7 | D432 V447 T448 H450 | D432-V434 HydrophobicContact CB-CG2 4.44Å; D432-V434 PolarHBondContact O-N 3.36Å; V434-V447 HydrophobicContact CB-CG1 4.46Å; V434-V447 HydrophobicContact CG1-CG1 3.36Å; V434-T448 VanDerWaalsContact CG1-C 3.45Å; V434-T448 VanDerWaalsContact CG1-O 3.31Å; V434-T448 WeakPolarHBondContact CG1-O 3.44Å; V434-H450 PolarHBondContact N-NE2 3.08Å |
| 435 | D | 71.9 | Confident | 59.6 | Low | 61 Ų | 61 | 87.7 Ų | 87.7 | 33% | 0.326 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 157.1 | 175 | -63.9 | -48 | 0 | 0 | 0 | 112.2 | F437 T448 H450 R469 | D435-F437 HydrophobicContact CB-CD2 4.38Å; D435-F437 HydrophobicContact CB-CE2 3.69Å; D435-F437 HydrophobicContact CB-CZ 4.31Å; D435-T448 PolarHBondContact N-O 3.42Å; D435-T448 PolarHBondContact O-N 3.34Å; D435-H450 VanDerWaalsContact CG-ND1 3.32Å; D435-H450 IonicContact OD1-CE1 2.77Å; D435-H450 PolarHBondContact OD1-CE1 3.39Å; D435-H450 IonicContact OD1-ND1 3.6Å; D435-H450 PolarHBondContact OD1-ND1 2.68Å; D435-H450 IonicContact OD2-CE1 2.66Å; D435-H450 IonicContact OD2-CG 3.69Å; D435-H450 IonicContact OD2-ND1 2.66Å; D435-H450 PolarHBondContact OD2-ND1 2.82Å; D435-R469 IonicContact OD2-CZ 3.62Å; D435-R469 IonicContact OD2-NE 2.91Å; D435-R469 IonicContact OD2-NH2 3.88Å; D435-R469 PolarHBondContact OD2-NH2 2.84Å |
| 436 | L | 75.9 | Confident | 61.9 | Low | 114 Ų | 114 | 83.2 Ų | 83.2 | 60% | 0.597 | 44% | 0.441 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 121.3 | 177.8 | -79.5 | 158.3 | 0 | 0 | 0 | 111.3 | Q445 V447 | L436-Q445 HydrophobicContact CD2-CB 4.08Å; L436-V447 HydrophobicContact CD2-CG2 3.6Å |
| 437 | F | 77.3 | Confident | 64.1 | Low | 54 Ų | 54 | 83.1 Ų | 83.1 | 24% | 0.237 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 148.7 | 175.3 | -67.4 | -87.3 | 0 | 0 | 0 | 112.1 | D435 Q445 I446 T448 L466 R469 | D435-F437 HydrophobicContact CB-CD2 4.38Å; D435-F437 HydrophobicContact CB-CE2 3.69Å; D435-F437 HydrophobicContact CB-CZ 4.31Å; F437-Q445 CarbonylContact O-C 3.52Å; F437-Q445 WeakPolarHBondContact O-CA 3.49Å; F437-I446 PolarHBondContact N-O 3.46Å; F437-I446 PolarHBondContact O-N 2.98Å; F437-T448 WeakPolarHBondContact CD2-OG1 3.22Å; F437-T448 WeakPolarHBondContact CE2-OG1 3.41Å; F437-L466 HydrophobicContact CB-CD2 3.9Å; F437-L466 HydrophobicContact CD1-CD2 3.8Å; F437-L466 HydrophobicContact CD2-CD1 3.88Å; F437-L466 HydrophobicContact CD2-CD2 3.95Å; F437-L466 HydrophobicContact CD2-CG 4.5Å; F437-L466 HydrophobicContact CE1-CB 4.39Å; F437-L466 HydrophobicContact CE1-CD2 4.31Å; F437-L466 HydrophobicContact CE2-CD1 3.82Å; F437-L466 HydrophobicContact CE2-CD2 4.44Å; F437-L466 HydrophobicContact CG-CD1 4.38Å; F437-L466 HydrophobicContact CG-CD2 3.6Å; F437-L466 HydrophobicContact CZ-CB 4.45Å; F437-L466 HydrophobicContact CZ-CD1 4.27Å; F437-R469 VanDerWaalsContact CE2-CZ 3.49Å |
| 438 | L | 78.8 | Confident | 66.5 | Low | 121 Ų | 121 | 74.1 Ų | 74.1 | 63% | 0.634 | 40% | 0.402 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 127.4 | 174.9 | -66.8 | 171.9 | 0 | 0 | 0 | 111 | Q445 | L438-Q445 HydrophobicContact CD2-CG 3.64Å |
| 439 | C | 81.1 | Confident | 68.6 | Low | 2 Ų | 2 | 70 Ų | 70 | 1% | 0.014 | 39% | 0.385 | C | S | . | . | trans | -64.6 | 123.4 | 173.8 | 177.2 | 0 | 0 | 0 | 0 | 110.6 | S441 G443 A444 I446 C457 C460 | C439-S441 PolarHBondContact O-N 3.08Å; C439-G443 VanDerWaalsContact O-CA 3.29Å; C439-G443 WeakPolarHBondContact O-CA 3.42Å; C439-G443 PolarHBondContact O-N 2.83Å; C439-A444 HydrophobicContact CB-CB 4.41Å; C439-A444 WeakPolarHBondContact CB-O 3.48Å; C439-A444 PolarHBondContact N-O 3.5Å; C439-I446 HydrophobicContact CB-CD1 4.07Å; C439-I446 HydrophobicContact CB-CG1 4.38Å; C439-C457 HydrophobicContact CB-CB 4.11Å; C439-C457 VanDerWaalsContact SG-CB 3.55Å; C439-C457 VanDerWaalsContact SG-SG 3.6Å; C439-C460 VanDerWaalsContact SG-SG 3.65Å | ||
| 440 | P | 79.9 | Confident | 70.4 | Confident | 75 Ų | 75 | 63.6 Ų | 63.6 | 49% | 0.487 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -18.3 | -176.4 | 27.2 | -35.5 | 0 | 0 | 0 | 114.1 | R160 | R160-P440 PolarHBondContact NE-O 3.33Å; R160-P440 PolarHBondContact NH2-O 2.91Å |
| 441 | S | 80.5 | Confident | 72.2 | Confident | 16 Ų | 16 | 61 Ų | 61 | 11% | 0.112 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -56 | 179.1 | -53.3 | 0 | 0 | 0 | 0 | 112.7 | T142 S143 R160 C439 N462 | T142-S441 CarbonylContact O-C 3.6Å; T142-S441 VanDerWaalsContact O-O 3.08Å; S143-S441 WeakPolarHBondContact O-CB 3.31Å; R160-S441 VanDerWaalsContact CG-O 3.31Å; R160-S441 WeakPolarHBondContact CG-O 3.44Å; C439-S441 PolarHBondContact O-N 3.08Å; S441-N462 PolarHBondContact OG-ND2 3.24Å |
| 442 | C | 81.8 | Confident | 74.1 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.9 | -4 | -171.7 | 71.8 | 0 | 0 | 0 | 0 | 115.2 | T142 H162 A444 C457 C460 | T142-C442 WeakPolarHBondContact O-CA 3.11Å; T142-C442 WeakPolarHBondContact O-CB 3.23Å; T142-C442 PolarHBondContact O-N 3.4Å; H162-C442 HydrophobicContact CB-CB 4.14Å; H162-C442 PolarHBondContact ND1-O 2.81Å; C442-A444 VanDerWaalsContact C-N 3.26Å; C442-A444 PolarHBondContact O-N 2.93Å; C442-A444 VanDerWaalsContact SG-CB 3.59Å; C442-C457 PolarHBondContact SG-SG 2.66Å; C442-C460 HydrophobicContact CB-CB 3.94Å |
| 443 | G | 81.4 | Confident | 75.4 | Confident | 10 Ų | 10 | 48.9 Ų | 48.9 | 10% | 0.103 | 27% | 0.266 | C | S | . | . | trans | 74.3 | 7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | H162 C439 | H162-G443 PolarHBondContact CE1-O 3.01Å; C439-G443 VanDerWaalsContact O-CA 3.29Å; C439-G443 WeakPolarHBondContact O-CA 3.42Å; C439-G443 PolarHBondContact O-N 2.83Å | ||
| 444 | A | 79.5 | Confident | 76.6 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 24% | 0.244 | C | C | . | . | trans | -66.7 | 142.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | H162 C439 C442 F459 | H162-A444 WeakPolarHBondContact CE1-CA 3.28Å; H162-A444 PolarHBondContact CE1-N 3.27Å; H162-A444 PolarHBondContact ND1-N 2.8Å; C439-A444 HydrophobicContact CB-CB 4.41Å; C439-A444 WeakPolarHBondContact CB-O 3.48Å; C439-A444 PolarHBondContact N-O 3.5Å; C442-A444 VanDerWaalsContact C-N 3.26Å; C442-A444 PolarHBondContact O-N 2.93Å; C442-A444 VanDerWaalsContact SG-CB 3.59Å; A444-F459 HydrophobicContact CB-CB 4.18Å; A444-F459 HydrophobicContact CB-CD2 3.36Å; A444-F459 HydrophobicContact CB-CE2 3.94Å; A444-F459 HydrophobicContact CB-CG 3.97Å | ||
| 445 | Q | 80.6 | Confident | 77.8 | Confident | 127 Ų | 127 | 43 Ų | 43 | 59% | 0.593 | 23% | 0.233 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 123 | 170.6 | -69.6 | 176.2 | 13.1 | 0 | 0 | 109.8 | L436 F437 L438 | L436-Q445 HydrophobicContact CD2-CB 4.08Å; F437-Q445 CarbonylContact O-C 3.52Å; F437-Q445 WeakPolarHBondContact O-CA 3.49Å; L438-Q445 HydrophobicContact CD2-CG 3.64Å |
| 446 | I | 77.3 | Confident | 78.1 | Confident | 17 Ų | 17 | 43.7 Ų | 43.7 | 9% | 0.087 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 117.1 | 174.2 | -49 | 179.7 | 0 | 0 | 0 | 106.8 | F437 C439 T448 T455 C457 V464 | F437-I446 PolarHBondContact N-O 3.46Å; F437-I446 PolarHBondContact O-N 2.98Å; C439-I446 HydrophobicContact CB-CD1 4.07Å; C439-I446 HydrophobicContact CB-CG1 4.38Å; I446-T448 HydrophobicContact CG2-CG2 3.74Å; I446-T455 HydrophobicContact CG2-CG2 4.05Å; I446-C457 HydrophobicContact CD1-CB 3.94Å; I446-V464 HydrophobicContact CD1-CB 4.11Å; I446-V464 HydrophobicContact CD1-CG1 4.34Å; I446-V464 HydrophobicContact CD1-CG2 3.68Å |
| 447 | V | 76.1 | Confident | 78.3 | Confident | 99 Ų | 99 | 38.3 Ų | 38.3 | 60% | 0.6 | 20% | 0.204 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 118.3 | 178.1 | 173.5 | 0 | 0 | 0 | 0 | 107.5 | V434 L436 | V434-V447 HydrophobicContact CB-CG1 4.46Å; V434-V447 HydrophobicContact CG1-CG1 3.36Å; L436-V447 HydrophobicContact CD2-CG2 3.6Å |
| 448 | T | 76.8 | Confident | 78.5 | Confident | 8 Ų | 8 | 42.9 Ų | 42.9 | 5% | 0.049 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 140.4 | -176.9 | 62.2 | 0 | 0 | 0 | 0 | 111.9 | V434 D435 F437 I446 T452 T455 L466 R469 | V434-T448 VanDerWaalsContact CG1-C 3.45Å; V434-T448 VanDerWaalsContact CG1-O 3.31Å; V434-T448 WeakPolarHBondContact CG1-O 3.44Å; D435-T448 PolarHBondContact N-O 3.42Å; D435-T448 PolarHBondContact O-N 3.34Å; F437-T448 WeakPolarHBondContact CD2-OG1 3.22Å; F437-T448 WeakPolarHBondContact CE2-OG1 3.41Å; I446-T448 HydrophobicContact CG2-CG2 3.74Å; T448-T452 HydrophobicContact CG2-CG2 4.06Å; T448-T455 HydrophobicContact CG2-CG2 4Å; T448-L466 HydrophobicContact CG2-CD1 4.25Å; T448-R469 PolarHBondContact OG1-NH1 2.98Å |
| 449 | D | 74.7 | Confident | 78.7 | Confident | 64 Ų | 64 | 39.1 Ų | 39.1 | 34% | 0.342 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.4 | 165.9 | 168.4 | 56.9 | 69.7 | 0 | 0 | 0 | 112.1 | T451 T452 R469 | D449-T451 VanDerWaalsContact C-N 3.25Å; D449-T451 PolarHBondContact O-N 3.18Å; D449-T451 PolarHBondContact OD1-N 3.49Å; D449-T451 PolarHBondContact OD1-OG1 3.13Å; D449-T451 VanDerWaalsContact OD1-OG1 3.06Å; D449-T452 PolarHBondContact OD1-N 3.45Å; D449-T452 PolarHBondContact OD1-OG1 3.33Å; D449-T452 PolarHBondContact OD2-OG1 2.85Å; D449-T452 VanDerWaalsContact OD2-OG1 3.07Å; D449-R469 PolarHBondContact O-NH1 2.81Å; D449-R469 PolarHBondContact O-NH2 3.07Å |
| 450 | H | 70.2 | Confident | 78.6 | Confident | 71 Ų | 71 | 39.9 Ų | 39.9 | 33% | 0.329 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -68.9 | -9 | -178.1 | -59.3 | -61.6 | 0 | 0 | 0 | 116 | D433 V434 D435 K610 | D433-H450 VanDerWaalsContact C-NE2 3.26Å; D433-H450 PolarHBondContact O-CD2 3.13Å; D433-H450 IonicContact OD1-CD2 3.31Å; V434-H450 PolarHBondContact N-NE2 3.08Å; D435-H450 VanDerWaalsContact CG-ND1 3.32Å; D435-H450 IonicContact OD1-CE1 2.77Å; D435-H450 PolarHBondContact OD1-CE1 3.39Å; D435-H450 IonicContact OD1-ND1 3.6Å; D435-H450 PolarHBondContact OD1-ND1 2.68Å; D435-H450 IonicContact OD2-CE1 2.66Å; D435-H450 IonicContact OD2-CG 3.69Å; D435-H450 IonicContact OD2-ND1 2.66Å; D435-H450 PolarHBondContact OD2-ND1 2.82Å; H450-K610 PolarHBondContact O-NZ 3.43Å |
| 451 | T | 73.6 | Confident | 78.4 | Confident | 24 Ų | 24 | 41.9 Ų | 41.9 | 15% | 0.147 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -98.5 | -26.4 | 179.6 | 60.3 | 0 | 0 | 0 | 0 | 113.3 | D449 A453 E609 K610 D612 | D449-T451 VanDerWaalsContact C-N 3.25Å; D449-T451 PolarHBondContact O-N 3.18Å; D449-T451 PolarHBondContact OD1-N 3.49Å; D449-T451 PolarHBondContact OD1-OG1 3.13Å; D449-T451 VanDerWaalsContact OD1-OG1 3.06Å; T451-A453 PolarHBondContact O-N 2.87Å; T451-A453 VanDerWaalsContact O-N 3.13Å; T451-E609 WeakPolarHBondContact CB-OE2 3.23Å; T451-E609 PolarHBondContact OG1-OE2 3.23Å; T451-K610 WeakPolarHBondContact O-CA 3.29Å; T451-K610 WeakPolarHBondContact O-CB 3.29Å; T451-K610 PolarHBondContact O-N 3.44Å; T451-D612 HydrophobicContact CG2-CB 4.05Å |
| 452 | T | 78.9 | Confident | 78.2 | Confident | 14 Ų | 14 | 43.8 Ų | 43.8 | 9% | 0.086 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -52.9 | 120.9 | 178.6 | -63.3 | 0 | 0 | 0 | 0 | 111.4 | T448 D449 T455 L466 R469 | T448-T452 HydrophobicContact CG2-CG2 4.06Å; D449-T452 PolarHBondContact OD1-N 3.45Å; D449-T452 PolarHBondContact OD1-OG1 3.33Å; D449-T452 PolarHBondContact OD2-OG1 2.85Å; D449-T452 VanDerWaalsContact OD2-OG1 3.07Å; T452-T455 HydrophobicContact CG2-CG2 4.06Å; T452-L466 HydrophobicContact CG2-CD1 4.03Å; T452-R469 WeakPolarHBondContact O-CD 3.46Å; T452-R469 PolarHBondContact O-NH1 3.3Å |
| 453 | A | 76.4 | Confident | 78 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | -31.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | T451 L466 L470 A608 K610 | T451-A453 PolarHBondContact O-N 2.87Å; T451-A453 VanDerWaalsContact O-N 3.13Å; A453-L466 WeakPolarHBondContact O-CB 3.22Å; A453-L466 PolarHBondContact O-N 3.04Å; A453-L470 HydrophobicContact CB-CD1 4.01Å; A453-L470 HydrophobicContact CB-CD2 3.93Å; A453-L470 HydrophobicContact CB-CG 3.91Å; A453-A608 WeakPolarHBondContact CA-O 3.19Å; A453-A608 HydrophobicContact CB-CB 4.06Å; A453-A608 WeakPolarHBondContact CB-O 3.41Å; A453-A608 PolarHBondContact N-O 2.95Å; A453-K610 HydrophobicContact CB-CB 4.26Å |
| 454 | A | 78.9 | Confident | 77.8 | Confident | 2 Ų | 2 | 45.9 Ų | 45.9 | 2% | 0.017 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 142.5 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | V464 V465 L603 Q607 A608 | A454-V464 WeakPolarHBondContact CA-O 3.32Å; A454-V465 HydrophobicContact CB-CG2 4.37Å; A454-L603 HydrophobicContact CB-CB 4.33Å; A454-L603 HydrophobicContact CB-CD1 4.28Å; A454-Q607 VanDerWaalsContact O-CA 3.3Å; A454-Q607 WeakPolarHBondContact O-CA 3.48Å; A454-A608 HydrophobicContact CB-CB 3.91Å; A454-A608 PolarHBondContact N-O 3.3Å; A454-A608 PolarHBondContact O-N 2.91Å |
| 455 | T | 82.3 | Confident | 77.7 | Confident | 23 Ų | 23 | 48.2 Ų | 48.2 | 14% | 0.141 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | -167 | -177.7 | -167.7 | 0 | 0 | 0 | 0 | 111 | I446 T448 T452 P463 V464 | I446-T455 HydrophobicContact CG2-CG2 4.05Å; T448-T455 HydrophobicContact CG2-CG2 4Å; T452-T455 HydrophobicContact CG2-CG2 4.06Å; T455-P463 CarbonylContact O-C 3.44Å; T455-P463 WeakPolarHBondContact O-CA 3.4Å; T455-V464 PolarHBondContact N-O 2.86Å; T455-V464 PolarHBondContact O-N 3.18Å |
| 456 | Y | 78.7 | Confident | 77.6 | Confident | 77 Ų | 77 | 42.4 Ų | 42.4 | 30% | 0.302 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 146.4 | 177.7 | -57.1 | -94.1 | 0 | 0 | 0 | 111.5 | P463 G605 F606 Q607 | Y456-P463 HydrophobicContact CD1-CB 4.1Å; Y456-P463 HydrophobicContact CE1-CB 4.12Å; Y456-G605 PolarHBondContact OH-O 3.38Å; Y456-F606 PolarHBondContact OH-N 2.75Å; Y456-Q607 HydrophobicContact CD2-CG 4.08Å; Y456-Q607 HydrophobicContact CE2-CG 3.68Å |
| 457 | C | 80.6 | Confident | 77.1 | Confident | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.007 | 24% | 0.237 | C | C | . | . | trans | -72.7 | 127.5 | 172.1 | -178.8 | 0 | 0 | 0 | 0 | 111.4 | C439 C442 I446 F459 H461 N462 V464 | C439-C457 HydrophobicContact CB-CB 4.11Å; C439-C457 VanDerWaalsContact SG-CB 3.55Å; C439-C457 VanDerWaalsContact SG-SG 3.6Å; C442-C457 PolarHBondContact SG-SG 2.66Å; I446-C457 HydrophobicContact CD1-CB 3.94Å; C457-F459 PolarHBondContact O-N 2.82Å; C457-H461 WeakPolarHBondContact O-CA 3.36Å; C457-H461 PolarHBondContact O-N 2.78Å; C457-N462 PolarHBondContact N-O 3.01Å; C457-V464 HydrophobicContact CB-CG2 4.32Å | ||
| 458 | Y | 79.7 | Confident | 76.8 | Confident | 149 Ų | 149 | 43.7 Ų | 43.7 | 58% | 0.584 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -14.8 | -179.8 | -171.8 | -127.9 | 0 | 0 | 0 | 115.4 | K139 | K139-Y458 HydrophobicContact CD-CD1 3.94Å; K139-Y458 HydrophobicContact CD-CE1 3.53Å; K139-Y458 PolarHBondContact NZ-OH 3.06Å |
| 459 | F | 83.4 | Confident | 76.7 | Confident | 42 Ų | 42 | 44 Ų | 44 | 18% | 0.184 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | -46.8 | -177.1 | -71.5 | -93.4 | 0 | 0 | 0 | 113.5 | K139 F140 G141 H162 A444 C457 | K139-F459 HydrophobicContact CB-CD1 4.39Å; K139-F459 HydrophobicContact CD-CE1 4.46Å; F140-F459 CarbonylContact C-O 3.34Å; G141-F459 PolarHBondContact N-O 3.47Å; H162-F459 HydrophobicContact CB-CB 3.99Å; H162-F459 HydrophobicContact CB-CD1 4.07Å; H162-F459 HydrophobicContact CB-CG 4.11Å; H162-F459 AromaticContact CD2-CD1 3.86Å; H162-F459 AromaticContact CD2-CE1 3.87Å; A444-F459 HydrophobicContact CB-CB 4.18Å; A444-F459 HydrophobicContact CB-CD2 3.36Å; A444-F459 HydrophobicContact CB-CE2 3.94Å; A444-F459 HydrophobicContact CB-CG 3.97Å; C457-F459 PolarHBondContact O-N 2.82Å |
| 460 | C | 78.8 | Confident | 76.5 | Confident | 18 Ų | 18 | 41.3 Ų | 41.3 | 12% | 0.122 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.1 | -0.6 | 180 | 68.3 | 0 | 0 | 0 | 0 | 114.2 | G141 C439 C442 N462 | G141-C460 WeakPolarHBondContact O-CB 3.12Å; C439-C460 VanDerWaalsContact SG-SG 3.65Å; C442-C460 HydrophobicContact CB-CB 3.94Å; C460-N462 PolarHBondContact O-N 2.68Å; C460-N462 VanDerWaalsContact SG-CB 3.58Å |
| 461 | H | 75.3 | Confident | 76.5 | Confident | 117 Ų | 117 | 41.7 Ų | 41.7 | 54% | 0.542 | 23% | 0.233 | S | C | . | . | trans | 58.6 | 5.5 | -178.5 | -57 | 90.9 | 0 | 0 | 0 | 115.9 | C457 | C457-H461 WeakPolarHBondContact O-CA 3.36Å; C457-H461 PolarHBondContact O-N 2.78Å | ||
| 462 | N | 76.5 | Confident | 76.8 | Confident | 57 Ų | 57 | 43.8 Ų | 43.8 | 31% | 0.305 | 26% | 0.259 | S | S | . | . | trans | -65.4 | 136.2 | 175.9 | -163.5 | 80.1 | 0 | 0 | 0 | 110.8 | S441 C457 C460 | S441-N462 PolarHBondContact OG-ND2 3.24Å; C457-N462 PolarHBondContact N-O 3.01Å; C460-N462 PolarHBondContact O-N 2.68Å; C460-N462 VanDerWaalsContact SG-CB 3.58Å | ||
| 463 | P | 77.6 | Confident | 76.5 | Confident | 45 Ų | 45 | 49.4 Ų | 49.4 | 29% | 0.292 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 145.2 | 170.9 | 26.8 | -34.3 | 0 | 0 | 0 | 110.9 | T455 Y456 | T455-P463 CarbonylContact O-C 3.44Å; T455-P463 WeakPolarHBondContact O-CA 3.4Å; Y456-P463 HydrophobicContact CD1-CB 4.1Å; Y456-P463 HydrophobicContact CE1-CB 4.12Å |
| 464 | V | 77.6 | Confident | 76.5 | Confident | 9 Ų | 9 | 51.9 Ų | 51.9 | 6% | 0.055 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 116.2 | -179.7 | -174.5 | 0 | 0 | 0 | 0 | 108.7 | I446 A454 T455 C457 L466 | I446-V464 HydrophobicContact CD1-CB 4.11Å; I446-V464 HydrophobicContact CD1-CG1 4.34Å; I446-V464 HydrophobicContact CD1-CG2 3.68Å; A454-V464 WeakPolarHBondContact CA-O 3.32Å; T455-V464 PolarHBondContact N-O 2.86Å; T455-V464 PolarHBondContact O-N 3.18Å; C457-V464 HydrophobicContact CB-CG2 4.32Å; V464-L466 HydrophobicContact CG1-CD2 3.91Å |
| 465 | V | 78.4 | Confident | 76.8 | Confident | 49 Ų | 49 | 55.9 Ų | 55.9 | 30% | 0.297 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 126.6 | 170.9 | -179.4 | 0 | 0 | 0 | 0 | 108.1 | A454 S467 L470 L603 | A454-V465 HydrophobicContact CB-CG2 4.37Å; V465-S467 PolarHBondContact O-N 3.23Å; V465-L470 HydrophobicContact CG1-CD1 3.72Å; V465-L603 HydrophobicContact CG1-CD1 4.42Å; V465-L603 HydrophobicContact CG2-CB 4.38Å |
| 466 | L | 77.3 | Confident | 77.1 | Confident | 5 Ų | 5 | 55 Ų | 55 | 3% | 0.026 | 31% | 0.31 | C | S | . | . | trans | -90.8 | 75.4 | -177.4 | -56 | -178.5 | 0 | 0 | 0 | 108.9 | F437 T448 T452 A453 V464 G468 R469 | F437-L466 HydrophobicContact CB-CD2 3.9Å; F437-L466 HydrophobicContact CD1-CD2 3.8Å; F437-L466 HydrophobicContact CD2-CD1 3.88Å; F437-L466 HydrophobicContact CD2-CD2 3.95Å; F437-L466 HydrophobicContact CD2-CG 4.5Å; F437-L466 HydrophobicContact CE1-CB 4.39Å; F437-L466 HydrophobicContact CE1-CD2 4.31Å; F437-L466 HydrophobicContact CE2-CD1 3.82Å; F437-L466 HydrophobicContact CE2-CD2 4.44Å; F437-L466 HydrophobicContact CG-CD1 4.38Å; F437-L466 HydrophobicContact CG-CD2 3.6Å; F437-L466 HydrophobicContact CZ-CB 4.45Å; F437-L466 HydrophobicContact CZ-CD1 4.27Å; T448-L466 HydrophobicContact CG2-CD1 4.25Å; T452-L466 HydrophobicContact CG2-CD1 4.03Å; A453-L466 WeakPolarHBondContact O-CB 3.22Å; A453-L466 PolarHBondContact O-N 3.04Å; V464-L466 HydrophobicContact CG1-CD2 3.91Å; L466-G468 VanDerWaalsContact C-N 3.27Å; L466-G468 PolarHBondContact O-N 3.22Å; L466-R469 WeakPolarHBondContact O-CB 3.39Å; L466-R469 PolarHBondContact O-N 2.78Å | ||
| 467 | S | 67.1 | Low | 77.7 | Confident | 80 Ų | 80 | 55.3 Ų | 55.3 | 56% | 0.559 | 32% | 0.317 | S | S | * | . | G | 310 helix | trans | -49.3 | -40.7 | -165.7 | -52.3 | 0 | 0 | 0 | 0 | 114.7 | V465 R469 L470 T471 | V465-S467 PolarHBondContact O-N 3.23Å; S467-R469 PolarHBondContact O-N 3.11Å; S467-L470 CarbonylContact O-C 3.58Å; S467-L470 PolarHBondContact O-N 2.73Å; S467-T471 WeakPolarHBondContact O-CG2 3.36Å |
| 468 | G | 69.9 | Low | 78.4 | Confident | 63 Ų | 63 | 58.2 Ų | 58.2 | 65% | 0.649 | 33% | 0.33 | S | S | * | . | G | 310 helix | trans | -64 | -9.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | L466 T471 | L466-G468 VanDerWaalsContact C-N 3.27Å; L466-G468 PolarHBondContact O-N 3.22Å; G468-T471 PolarHBondContact O-OG1 2.93Å |
| 469 | R | 74.3 | Confident | 79 | Confident | 15 Ų | 15 | 51.1 Ų | 51.1 | 6% | 0.057 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | -101.2 | -0.5 | 173.2 | -64.3 | 179.8 | 171.8 | -179.2 | -6.7 | 113.3 | D435 F437 T448 D449 T452 L466 S467 F474 K610 | D435-R469 IonicContact OD2-CZ 3.62Å; D435-R469 IonicContact OD2-NE 2.91Å; D435-R469 IonicContact OD2-NH2 3.88Å; D435-R469 PolarHBondContact OD2-NH2 2.84Å; F437-R469 VanDerWaalsContact CE2-CZ 3.49Å; T448-R469 PolarHBondContact OG1-NH1 2.98Å; D449-R469 PolarHBondContact O-NH1 2.81Å; D449-R469 PolarHBondContact O-NH2 3.07Å; T452-R469 WeakPolarHBondContact O-CD 3.46Å; T452-R469 PolarHBondContact O-NH1 3.3Å; L466-R469 WeakPolarHBondContact O-CB 3.39Å; L466-R469 PolarHBondContact O-N 2.78Å; S467-R469 PolarHBondContact O-N 3.11Å; R469-F474 WeakPolarHBondContact O-CB 3.28Å; R469-K610 HydrophobicContact CB-CD 4.26Å |
| 470 | L | 71.1 | Confident | 79.6 | Confident | 7 Ų | 7 | 49.1 Ų | 49.1 | 4% | 0.037 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -129.6 | 36.8 | -179.1 | -71.8 | 167.7 | 0 | 0 | 0 | 111.1 | A453 V465 S467 L475 P476 L603 | A453-L470 HydrophobicContact CB-CD1 4.01Å; A453-L470 HydrophobicContact CB-CD2 3.93Å; A453-L470 HydrophobicContact CB-CG 3.91Å; V465-L470 HydrophobicContact CG1-CD1 3.72Å; S467-L470 CarbonylContact O-C 3.58Å; S467-L470 PolarHBondContact O-N 2.73Å; L470-L475 VanDerWaalsContact O-CD1 3.28Å; L470-L475 WeakPolarHBondContact O-CD1 3.39Å; L470-P476 HydrophobicContact CD2-CG 4.42Å; L470-L603 HydrophobicContact CD1-CD1 3.41Å; L470-L603 VanDerWaalsContact CD1-CD1 3.41Å |
| 471 | T | 70.2 | Confident | 80.3 | Confident | 79 Ų | 79 | 49.9 Ų | 49.9 | 49% | 0.485 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -126.9 | 154.3 | -178 | 41.8 | 0 | 0 | 0 | 0 | 111.6 | S467 G468 E473 F474 | S467-T471 WeakPolarHBondContact O-CG2 3.36Å; G468-T471 PolarHBondContact O-OG1 2.93Å; T471-E473 PolarHBondContact O-N 3Å; T471-F474 PolarHBondContact O-N 3.06Å; T471-F474 VanDerWaalsContact O-N 3.16Å |
| 472 | G | 78.9 | Confident | 81.1 | Confident | 67 Ų | 67 | 45.9 Ų | 45.9 | 69% | 0.691 | 28% | 0.279 | S | S | * | . | G | 310 helix | trans | 58.9 | -129.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | F474 L475 | G472-F474 PolarHBondContact O-N 2.97Å; G472-F474 VanDerWaalsContact O-N 3.14Å; G472-L475 WeakPolarHBondContact O-CB 3.24Å; G472-L475 PolarHBondContact O-N 2.69Å; G472-L475 VanDerWaalsContact O-N 3.08Å |
| 473 | E | 73.2 | Confident | 81.8 | Confident | 133 Ų | 133 | 49.7 Ų | 49.7 | 62% | 0.621 | 29% | 0.293 | S | S | * | . | G | 310 helix | trans | -62.5 | -17.5 | 179 | 67.1 | -174.3 | 169.6 | 0 | 0 | 114.6 | T471 R611 | T471-E473 PolarHBondContact O-N 3Å; E473-R611 PolarHBondContact O-NH2 2.77Å |
| 474 | F | 77.7 | Confident | 82.4 | Confident | 52 Ų | 52 | 47.8 Ų | 47.8 | 23% | 0.228 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -91.6 | 2.1 | 176.7 | -59.1 | -72.1 | 0 | 0 | 0 | 113.7 | R469 T471 G472 P476 K610 R611 Y660 | R469-F474 WeakPolarHBondContact O-CB 3.28Å; T471-F474 PolarHBondContact O-N 3.06Å; T471-F474 VanDerWaalsContact O-N 3.16Å; G472-F474 PolarHBondContact O-N 2.97Å; G472-F474 VanDerWaalsContact O-N 3.14Å; F474-P476 WeakPolarHBondContact O-CD 3.33Å; F474-K610 HydrophobicContact CB-CG 4.37Å; F474-K610 HydrophobicContact CD1-CD 3.83Å; F474-K610 HydrophobicContact CD1-CG 3.87Å; F474-K610 HydrophobicContact CE1-CD 4.28Å; F474-K610 HydrophobicContact CG-CD 4.14Å; F474-K610 HydrophobicContact CG-CG 4.33Å; F474-R611 HydrophobicContact CD1-CG 4.31Å; F474-Y660 WeakPolarHBondContact O-CE1 3.11Å |
| 475 | L | 83.4 | Confident | 82.9 | Confident | 85 Ų | 85 | 51.8 Ų | 51.8 | 45% | 0.445 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -74.5 | 122.8 | 171.2 | -170.3 | 71.9 | 0 | 0 | 0 | 109.9 | L470 G472 F598 | L470-L475 VanDerWaalsContact O-CD1 3.28Å; L470-L475 WeakPolarHBondContact O-CD1 3.39Å; G472-L475 WeakPolarHBondContact O-CB 3.24Å; G472-L475 PolarHBondContact O-N 2.69Å; G472-L475 VanDerWaalsContact O-N 3.08Å; L475-F598 HydrophobicContact CD1-CD1 3.67Å; L475-F598 HydrophobicContact CD1-CE1 3.59Å; L475-F598 HydrophobicContact CG-CD1 4.23Å |
| 476 | P | 88.4 | Confident | 83.2 | Confident | 4 Ų | 4 | 54.3 Ų | 54.3 | 3% | 0.026 | 31% | 0.305 | C | S | . | . | trans | -61.6 | 145.7 | 173 | -18.6 | 30.2 | 0 | 0 | 0 | 111.9 | L470 F474 F598 Y660 L662 | L470-P476 HydrophobicContact CD2-CG 4.42Å; F474-P476 WeakPolarHBondContact O-CD 3.33Å; P476-F598 HydrophobicContact CB-CB 4.09Å; P476-F598 HydrophobicContact CB-CD1 4.32Å; P476-F598 HydrophobicContact CB-CD2 4.1Å; P476-F598 HydrophobicContact CB-CG 3.88Å; P476-F598 HydrophobicContact CG-CD1 4.17Å; P476-F598 HydrophobicContact CG-CD2 4.04Å; P476-F598 HydrophobicContact CG-CE1 4.28Å; P476-F598 HydrophobicContact CG-CE2 4.15Å; P476-F598 HydrophobicContact CG-CG 4.04Å; P476-F598 HydrophobicContact CG-CZ 4.27Å; P476-F598 VanDerWaalsContact O-CB 3.28Å; P476-F598 WeakPolarHBondContact O-CB 3.43Å; P476-Y660 HydrophobicContact CB-CD1 4.25Å; P476-Y660 HydrophobicContact CB-CE1 4.1Å; P476-Y660 HydrophobicContact CG-CE1 3.88Å; P476-L662 HydrophobicContact CB-CD1 4.44Å; P476-L662 HydrophobicContact CB-CG 4.08Å; P476-L662 HydrophobicContact CG-CD1 3.66Å; P476-L662 HydrophobicContact CG-CD2 4.43Å; P476-L662 HydrophobicContact CG-CG 3.68Å | ||
| 477 | N | 92.2 | Very high | 83.6 | Confident | 84 Ų | 84 | 61.6 Ų | 61.6 | 45% | 0.449 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -74.2 | -41.3 | 171.4 | -54.4 | 118.4 | 0 | 0 | 0 | 110.8 | F598 Y660 | N477-F598 PolarHBondContact O-N 2.97Å; N477-Y660 WeakPolarHBondContact CB-O 3.25Å; N477-Y660 PolarHBondContact N-O 3.05Å; N477-Y660 PolarHBondContact OD1-N 3.42Å |
| 478 | K | 94.6 | Very high | 84.5 | Confident | 62 Ų | 62 | 62.8 Ų | 62.8 | 27% | 0.27 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 163.7 | -175.8 | -69.8 | -171 | -179.8 | -70.3 | 0 | 112.3 | A595 V596 D597 Y660 M661 L662 | K478-A595 HydrophobicContact CB-CB 4.33Å; K478-A595 HydrophobicContact CD-CB 4.33Å; K478-V596 CarbonylContact C-O 3.46Å; K478-V596 WeakPolarHBondContact CA-O 3.49Å; K478-V596 WeakPolarHBondContact CB-O 3.27Å; K478-V596 WeakPolarHBondContact CG-O 3.03Å; K478-D597 IonicContact NZ-OD1 3.55Å; K478-D597 PolarHBondContact NZ-OD1 2.84Å; K478-Y660 PolarHBondContact N-O 2.92Å; K478-M661 HydrophobicContact CB-CE 4.34Å; K478-M661 HydrophobicContact CB-CG 4.05Å; K478-M661 HydrophobicContact CB-SD 4.02Å; K478-M661 HydrophobicContact CD-CE 3.97Å; K478-M661 VanDerWaalsContact O-CA 3.28Å; K478-M661 WeakPolarHBondContact O-CA 3.14Å; K478-L662 PolarHBondContact O-N 2.85Å |
| 479 | V | 94.1 | Very high | 85.2 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 142.6 | 171 | 58.1 | 0 | 0 | 0 | 0 | 109.5 | P481 Y520 A595 V596 F598 Y602 L662 | V479-P481 WeakPolarHBondContact O-CD 3.42Å; V479-Y520 HydrophobicContact CG2-CD1 3.85Å; V479-Y520 HydrophobicContact CG2-CE1 3.38Å; V479-A595 WeakPolarHBondContact O-CA 3.39Å; V479-V596 HydrophobicContact CG1-CG2 4Å; V479-V596 PolarHBondContact N-O 3.31Å; V479-V596 WeakPolarHBondContact O-CG2 3.49Å; V479-V596 PolarHBondContact O-N 2.9Å; V479-F598 HydrophobicContact CB-CD2 4.12Å; V479-F598 HydrophobicContact CG1-CD2 4.2Å; V479-Y602 HydrophobicContact CG1-CD1 4.42Å; V479-Y602 HydrophobicContact CG1-CD2 3.47Å; V479-Y602 VanDerWaalsContact CG1-CD2 3.47Å; V479-Y602 HydrophobicContact CG1-CE2 3.96Å; V479-Y602 HydrophobicContact CG1-CG 3.74Å; V479-L662 WeakPolarHBondContact CA-O 3.44Å; V479-L662 HydrophobicContact CB-CB 4.29Å; V479-L662 HydrophobicContact CG2-CB 4Å |
| 480 | L | 95.2 | Very high | 85.6 | Confident | 1 Ų | 1 | 60.3 Ų | 60.3 | 1% | 0.005 | 31% | 0.307 | C | S | . | . | trans | -99.9 | 108.6 | 168.3 | 175.9 | 65.3 | 0 | 0 | 0 | 108.3 | F590 P591 Q594 A595 L662 L663 P664 | L480-F590 HydrophobicContact CD2-CB 3.84Å; L480-F590 HydrophobicContact CD2-CD1 4.06Å; L480-F590 HydrophobicContact CD2-CG 4.34Å; L480-P591 HydrophobicContact CD1-CG 4.42Å; L480-P591 HydrophobicContact CD2-CG 4.16Å; L480-Q594 HydrophobicContact CD1-CB 3.78Å; L480-A595 HydrophobicContact CB-CB 4.35Å; L480-L662 PolarHBondContact N-O 3.49Å; L480-L663 HydrophobicContact CB-CD2 3.68Å; L480-L663 HydrophobicContact CD2-CD2 4.23Å; L480-P664 HydrophobicContact CD2-CG 4.34Å; L480-P664 HydrophobicContact CG-CG 4.22Å; L480-P664 VanDerWaalsContact O-CD 3.23Å; L480-P664 WeakPolarHBondContact O-CD 3.46Å; L480-P664 VanDerWaalsContact O-CG 3.28Å; L480-P664 WeakPolarHBondContact O-CG 3.42Å | ||
| 481 | P | 93.3 | Very high | 86.2 | Confident | 34 Ų | 34 | 62.5 Ų | 62.5 | 22% | 0.221 | 33% | 0.326 | C | S | . | . | trans | -64.4 | 152.8 | -174.9 | -24 | 35.6 | 0 | 0 | 0 | 113.4 | V479 K483 V596 Y602 Q685 | V479-P481 WeakPolarHBondContact O-CD 3.42Å; P481-K483 PolarHBondContact O-N 3.2Å; P481-V596 HydrophobicContact CG-CG2 3.93Å; P481-Y602 HydrophobicContact CB-CD1 4.3Å; P481-Y602 HydrophobicContact CB-CE1 4.27Å; P481-Y602 HydrophobicContact CG-CD1 4Å; P481-Y602 HydrophobicContact CG-CE1 3.67Å; P481-Q685 PolarHBondContact O-NE2 2.85Å; P481-Q685 VanDerWaalsContact O-NE2 3.17Å | ||
| 482 | F | 92.8 | Very high | 86.8 | Confident | 33 Ų | 33 | 61.1 Ų | 61.1 | 15% | 0.145 | 32% | 0.316 | C | S | . | . | trans | -60.4 | 125.9 | 168 | -80.9 | -92.8 | 0 | 0 | 0 | 110.8 | Y520 F606 P664 W666 | F482-Y520 AromaticContact CD2-CE1 3.96Å; F482-Y520 HydrophobicContact CD2-CE1 3.96Å; F482-Y520 AromaticContact CD2-CE2 3.99Å; F482-Y520 HydrophobicContact CD2-CE2 3.99Å; F482-Y520 AromaticContact CD2-CZ 3.6Å; F482-Y520 HydrophobicContact CE2-CD1 4.23Å; F482-Y520 HydrophobicContact CE2-CD2 4.15Å; F482-Y520 AromaticContact CE2-CE1 3.95Å; F482-Y520 HydrophobicContact CE2-CE1 3.95Å; F482-Y520 AromaticContact CE2-CE2 3.87Å; F482-Y520 HydrophobicContact CE2-CE2 3.87Å; F482-Y520 HydrophobicContact CE2-CG 4.34Å; F482-Y520 AromaticContact CE2-CZ 3.79Å; F482-F606 HydrophobicContact CB-CE1 4.17Å; F482-F606 HydrophobicContact CB-CZ 3.87Å; F482-F606 HydrophobicContact CD1-CE1 4.06Å; F482-F606 AromaticContact CD2-CD1 3.59Å; F482-F606 HydrophobicContact CD2-CD1 3.59Å; F482-F606 HydrophobicContact CD2-CD2 4.28Å; F482-F606 AromaticContact CD2-CE1 3.32Å; F482-F606 HydrophobicContact CD2-CE1 3.32Å; F482-F606 HydrophobicContact CD2-CE2 4.06Å; F482-F606 HydrophobicContact CD2-CG 4.07Å; F482-F606 AromaticContact CD2-CZ 3.58Å; F482-F606 HydrophobicContact CD2-CZ 3.58Å; F482-F606 HydrophobicContact CE1-CE1 4.29Å; F482-F606 AromaticContact CE2-CD1 3.42Å; F482-F606 HydrophobicContact CE2-CD1 3.42Å; F482-F606 VanDerWaalsContact CE2-CD1 3.42Å; F482-F606 AromaticContact CE2-CE1 3.61Å; F482-F606 HydrophobicContact CE2-CE1 3.61Å; F482-F606 AromaticContact CE2-CG 3.96Å; F482-F606 HydrophobicContact CE2-CG 3.96Å; F482-F606 HydrophobicContact CE2-CZ 4.29Å; F482-F606 HydrophobicContact CG-CD1 4.28Å; F482-F606 AromaticContact CG-CE1 3.58Å; F482-F606 HydrophobicContact CG-CE1 3.58Å; F482-F606 AromaticContact CG-CZ 3.77Å; F482-F606 HydrophobicContact CG-CZ 3.77Å; F482-F606 AromaticContact CZ-CD1 3.97Å; F482-F606 HydrophobicContact CZ-CD1 3.97Å; F482-F606 HydrophobicContact CZ-CE1 4.1Å; F482-P664 HydrophobicContact CB-CB 4.43Å; F482-P664 HydrophobicContact CD1-CB 3.71Å; F482-P664 HydrophobicContact CD2-CB 3.5Å; F482-P664 VanDerWaalsContact CD2-CB 3.5Å; F482-P664 HydrophobicContact CE1-CB 3.7Å; F482-P664 HydrophobicContact CE2-CB 3.47Å; F482-P664 VanDerWaalsContact CE2-CB 3.47Å; F482-P664 HydrophobicContact CG-CB 3.61Å; F482-P664 HydrophobicContact CZ-CB 3.58Å; F482-W666 HydrophobicContact CD1-CD2 4.35Å; F482-W666 AromaticContact CD1-CE2 3.6Å; F482-W666 AromaticContact CD1-CZ2 3.79Å; F482-W666 HydrophobicContact CD1-CZ2 3.79Å; F482-W666 AromaticContact CD1-NE1 3.48Å; F482-W666 AromaticContact CE1-CD1 3.94Å; F482-W666 AromaticContact CE1-CD2 3.92Å; F482-W666 HydrophobicContact CE1-CD2 3.92Å; F482-W666 AromaticContact CE1-CE2 3.65Å; F482-W666 HydrophobicContact CE1-CG 4.09Å; F482-W666 HydrophobicContact CE1-CZ2 4.08Å; F482-W666 AromaticContact CE1-NE1 3.68Å | ||
| 483 | K | 91 | Very high | 86.8 | Confident | 136 Ų | 136 | 58 Ų | 58 | 59% | 0.591 | 28% | 0.283 | S | S | * | . | trans | -108.5 | -30 | 176.1 | -174.6 | -179.1 | -169.1 | 167.9 | 0 | 112.8 | P481 G684 | P481-K483 PolarHBondContact O-N 3.2Å; K483-G684 PolarHBondContact N-O 3.35Å | ||
| 484 | I | 89.6 | Confident | 87.1 | Confident | 6 Ų | 6 | 54 Ų | 54 | 3% | 0.031 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -88.6 | 114.7 | 166.7 | -63.1 | 179.6 | 0 | 0 | 0 | 106.9 | K488 A489 W666 G684 | I484-K488 HydrophobicContact CG1-CD 4.44Å; I484-K488 HydrophobicContact CG2-CB 3.98Å; I484-K488 HydrophobicContact CG2-CD 4.15Å; I484-K488 HydrophobicContact CG2-CG 3.98Å; I484-A489 HydrophobicContact CG2-CB 3.83Å; I484-W666 WeakPolarHBondContact O-CZ2 2.95Å; I484-W666 PolarHBondContact O-NE1 3.26Å; I484-G684 WeakPolarHBondContact CB-O 3.42Å; I484-G684 WeakPolarHBondContact CG1-O 3.49Å; I484-G684 PolarHBondContact N-O 3.45Å |
| 485 | D | 89 | Confident | 87 | Confident | 92 Ų | 92 | 53.4 Ų | 53.4 | 49% | 0.492 | 27% | 0.27 | S | S | . | . | trans | -68.9 | 171.9 | 170.2 | 60.3 | 57.6 | 0 | 0 | 0 | 112.2 | E487 K488 A489 | D485-E487 PolarHBondContact O-N 3.04Å; D485-E487 PolarHBondContact OD1-N 3.05Å; D485-E487 VanDerWaalsContact OD1-N 3.13Å; D485-K488 WeakPolarHBondContact OD1-CB 3.46Å; D485-K488 PolarHBondContact OD1-N 3.03Å; D485-A489 WeakPolarHBondContact O-CB 3.48Å; D485-A489 PolarHBondContact O-N 3.02Å | ||
| 486 | R | 84.9 | Confident | 86.6 | Confident | 102 Ų | 102 | 52 Ų | 52 | 39% | 0.385 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -64.7 | -36.6 | -176 | -173.9 | 172.5 | 156.4 | -82.3 | 10.4 | 113.2 | A489 I490 E514 W666 | R486-A489 PolarHBondContact O-N 2.73Å; R486-I490 HydrophobicContact CG-CD1 4.04Å; R486-I490 WeakPolarHBondContact O-CB 3.3Å; R486-I490 VanDerWaalsContact O-CG1 3.28Å; R486-I490 WeakPolarHBondContact O-CG1 3.44Å; R486-I490 PolarHBondContact O-N 2.9Å; R486-E514 PolarHBondContact NE-O 2.87Å; R486-E514 PolarHBondContact NH2-O 2.71Å; R486-W666 HydrophobicContact CB-CH2 3.61Å; R486-W666 HydrophobicContact CB-CZ2 4.17Å; R486-W666 HydrophobicContact CB-CZ3 4Å; R486-W666 HydrophobicContact CG-CH2 4.21Å; R486-W666 HydrophobicContact CG-CZ3 4.07Å |
| 487 | E | 84.7 | Confident | 85.8 | Confident | 159 Ų | 159 | 51.8 Ų | 51.8 | 74% | 0.743 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -67.9 | -47.2 | -178.7 | -66.3 | -171.5 | 177.7 | 0 | 0 | 111.1 | D485 A489 I490 A491 | D485-E487 PolarHBondContact O-N 3.04Å; D485-E487 PolarHBondContact OD1-N 3.05Å; D485-E487 VanDerWaalsContact OD1-N 3.13Å; E487-A489 VanDerWaalsContact C-N 3.32Å; E487-A489 PolarHBondContact O-N 2.94Å; E487-I490 PolarHBondContact O-N 2.92Å; E487-A491 PolarHBondContact O-N 2.88Å |
| 488 | K | 86 | Confident | 84.7 | Confident | 104 Ų | 104 | 54.5 Ų | 54.5 | 45% | 0.452 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -64.6 | -38.8 | 174.8 | -174.8 | -179.8 | 172.8 | -173.8 | 0 | 111.3 | I484 D485 I490 A491 D492 | I484-K488 HydrophobicContact CG1-CD 4.44Å; I484-K488 HydrophobicContact CG2-CB 3.98Å; I484-K488 HydrophobicContact CG2-CD 4.15Å; I484-K488 HydrophobicContact CG2-CG 3.98Å; D485-K488 WeakPolarHBondContact OD1-CB 3.46Å; D485-K488 PolarHBondContact OD1-N 3.03Å; K488-I490 VanDerWaalsContact C-N 3.34Å; K488-I490 PolarHBondContact O-N 3.05Å; K488-A491 PolarHBondContact O-N 3Å; K488-D492 WeakPolarHBondContact CE-OD2 3.3Å; K488-D492 WeakPolarHBondContact O-CB 3.34Å; K488-D492 PolarHBondContact O-N 2.84Å |
| 489 | A | 84.7 | Confident | 83.5 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59.7 | -44.8 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | I484 D485 R486 E487 F493 M516 W666 M682 | I484-A489 HydrophobicContact CG2-CB 3.83Å; D485-A489 WeakPolarHBondContact O-CB 3.48Å; D485-A489 PolarHBondContact O-N 3.02Å; R486-A489 PolarHBondContact O-N 2.73Å; E487-A489 VanDerWaalsContact C-N 3.32Å; E487-A489 PolarHBondContact O-N 2.94Å; A489-F493 VanDerWaalsContact O-CB 3.26Å; A489-F493 WeakPolarHBondContact O-CB 3.27Å; A489-F493 PolarHBondContact O-N 3.4Å; A489-M516 HydrophobicContact CB-CE 4.42Å; A489-M516 HydrophobicContact CB-SD 3.43Å; A489-M516 WeakPolarHBondContact CB-SD 3.28Å; A489-W666 HydrophobicContact CB-CD2 3.94Å; A489-W666 HydrophobicContact CB-CG 3.8Å; A489-M682 VanDerWaalsContact CA-CE 3.41Å; A489-M682 HydrophobicContact CB-CE 3.43Å; A489-M682 VanDerWaalsContact CB-CE 3.43Å; A489-M682 WeakPolarHBondContact O-CE 3.37Å |
| 490 | I | 83.4 | Confident | 82.5 | Confident | 27 Ų | 27 | 60.5 Ų | 60.5 | 14% | 0.138 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.7 | -44.2 | 173.6 | -74.1 | 171.1 | 0 | 0 | 0 | 111.2 | R486 E487 K488 F493 L494 I513 M516 | R486-I490 HydrophobicContact CG-CD1 4.04Å; R486-I490 WeakPolarHBondContact O-CB 3.3Å; R486-I490 VanDerWaalsContact O-CG1 3.28Å; R486-I490 WeakPolarHBondContact O-CG1 3.44Å; R486-I490 PolarHBondContact O-N 2.9Å; E487-I490 PolarHBondContact O-N 2.92Å; K488-I490 VanDerWaalsContact C-N 3.34Å; K488-I490 PolarHBondContact O-N 3.05Å; I490-F493 PolarHBondContact O-N 2.86Å; I490-L494 HydrophobicContact CG2-CD1 3.92Å; I490-L494 WeakPolarHBondContact O-CB 3.36Å; I490-L494 WeakPolarHBondContact O-CG 3.35Å; I490-L494 PolarHBondContact O-N 2.89Å; I490-I513 HydrophobicContact CB-CG2 4.18Å; I490-I513 HydrophobicContact CD1-CG2 4.44Å; I490-I513 HydrophobicContact CG1-CG2 3.88Å; I490-I513 HydrophobicContact CG2-CG2 3.61Å; I490-M516 HydrophobicContact CG1-CB 4.36Å; I490-M516 HydrophobicContact CG1-CE 3.93Å; I490-M516 HydrophobicContact CG1-SD 3.9Å |
| 491 | A | 83.5 | Confident | 81.1 | Confident | 52 Ų | 52 | 71.2 Ų | 71.2 | 43% | 0.43 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64.9 | -45.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113 | E487 K488 L494 A495 | E487-A491 PolarHBondContact O-N 2.88Å; K488-A491 PolarHBondContact O-N 3Å; A491-L494 PolarHBondContact O-N 2.99Å; A491-A495 WeakPolarHBondContact O-CB 3.39Å; A491-A495 PolarHBondContact O-N 2.98Å |
| 492 | D | 81.7 | Confident | 80 | Confident | 51 Ų | 51 | 75.6 Ų | 75.6 | 27% | 0.273 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -65.9 | -38.8 | 178.5 | -76.7 | -28.5 | 0 | 0 | 0 | 111.2 | K488 A495 W496 M682 | K488-D492 WeakPolarHBondContact CE-OD2 3.3Å; K488-D492 WeakPolarHBondContact O-CB 3.34Å; K488-D492 PolarHBondContact O-N 2.84Å; D492-A495 PolarHBondContact O-N 3.34Å; D492-W496 WeakPolarHBondContact O-CB 3.48Å; D492-W496 PolarHBondContact O-N 2.91Å; D492-M682 HydrophobicContact CB-SD 4.29Å |
| 493 | F | 78.7 | Confident | 78.9 | Confident | 1 Ų | 1 | 75.6 Ų | 75.6 | 0% | 0.004 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -61.5 | -49 | 172.2 | 176 | -122.3 | 0 | 0 | 0 | 112.3 | A489 I490 A495 W496 T497 F507 I513 M516 V668 Y680 | A489-F493 VanDerWaalsContact O-CB 3.26Å; A489-F493 WeakPolarHBondContact O-CB 3.27Å; A489-F493 PolarHBondContact O-N 3.4Å; I490-F493 PolarHBondContact O-N 2.86Å; F493-A495 VanDerWaalsContact C-N 3.35Å; F493-A495 PolarHBondContact O-N 3.01Å; F493-W496 PolarHBondContact O-N 3.35Å; F493-T497 HydrophobicContact CD2-CG2 3.82Å; F493-T497 HydrophobicContact CE1-CG2 4.33Å; F493-T497 HydrophobicContact CE2-CG2 3.53Å; F493-T497 HydrophobicContact CG-CG2 4.39Å; F493-T497 HydrophobicContact CZ-CG2 3.84Å; F493-T497 VanDerWaalsContact O-CG2 3.3Å; F493-T497 WeakPolarHBondContact O-CG2 3.47Å; F493-T497 PolarHBondContact O-N 3Å; F493-T497 PolarHBondContact O-OG1 3.41Å; F493-F507 HydrophobicContact CE1-CE1 4.29Å; F493-F507 HydrophobicContact CE2-CE1 4.03Å; F493-F507 HydrophobicContact CE2-CZ 4.23Å; F493-F507 HydrophobicContact CZ-CD1 4.48Å; F493-F507 AromaticContact CZ-CE1 3.43Å; F493-F507 HydrophobicContact CZ-CE1 3.43Å; F493-F507 VanDerWaalsContact CZ-CE1 3.43Å; F493-F507 AromaticContact CZ-CZ 3.74Å; F493-F507 HydrophobicContact CZ-CZ 3.74Å; F493-I513 HydrophobicContact CD1-CD1 4.43Å; F493-I513 HydrophobicContact CD1-CG1 4.44Å; F493-I513 HydrophobicContact CD1-CG2 4.15Å; F493-I513 HydrophobicContact CE1-CD1 4.18Å; F493-I513 HydrophobicContact CE1-CG1 4.01Å; F493-I513 HydrophobicContact CE1-CG2 4.49Å; F493-M516 HydrophobicContact CB-CE 3.96Å; F493-M516 HydrophobicContact CD1-CE 4.15Å; F493-M516 HydrophobicContact CG-CE 4.2Å; F493-V668 HydrophobicContact CE1-CG1 4.36Å; F493-V668 HydrophobicContact CE1-CG2 4.37Å; F493-V668 HydrophobicContact CZ-CG1 4.39Å; F493-Y680 HydrophobicContact CB-CE1 4.42Å; F493-Y680 AromaticContact CD2-CD1 3.47Å; F493-Y680 HydrophobicContact CD2-CD1 3.47Å; F493-Y680 VanDerWaalsContact CD2-CD1 3.47Å; F493-Y680 HydrophobicContact CD2-CD2 4.3Å; F493-Y680 AromaticContact CD2-CE1 3.17Å; F493-Y680 HydrophobicContact CD2-CE1 3.17Å; F493-Y680 HydrophobicContact CD2-CE2 4.08Å; F493-Y680 HydrophobicContact CD2-CG 4.02Å; F493-Y680 AromaticContact CD2-CZ 3.51Å; F493-Y680 AromaticContact CE2-CD1 3.36Å; F493-Y680 HydrophobicContact CE2-CD1 3.36Å; F493-Y680 AromaticContact CE2-CD2 3.83Å; F493-Y680 HydrophobicContact CE2-CD2 3.83Å; F493-Y680 AromaticContact CE2-CE1 3.57Å; F493-Y680 HydrophobicContact CE2-CE1 3.57Å; F493-Y680 HydrophobicContact CE2-CE2 4.03Å; F493-Y680 AromaticContact CE2-CG 3.48Å; F493-Y680 HydrophobicContact CE2-CG 3.48Å; F493-Y680 VanDerWaalsContact CE2-CG 3.48Å; F493-Y680 AromaticContact CE2-CZ 3.91Å; F493-Y680 HydrophobicContact CG-CD1 4.4Å; F493-Y680 HydrophobicContact CG-CE1 4.07Å; F493-Y680 HydrophobicContact CZ-CD1 4.23Å; F493-Y680 HydrophobicContact CZ-CG 4.33Å |
| 494 | L | 79.6 | Confident | 77.8 | Confident | 50 Ų | 50 | 72.3 Ų | 72.3 | 26% | 0.262 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -59.8 | -43.2 | 175.4 | -79.1 | 169.3 | 0 | 0 | 0 | 111.8 | I490 A491 W496 T497 Q498 F508 I513 | I490-L494 HydrophobicContact CG2-CD1 3.92Å; I490-L494 WeakPolarHBondContact O-CB 3.36Å; I490-L494 WeakPolarHBondContact O-CG 3.35Å; I490-L494 PolarHBondContact O-N 2.89Å; A491-L494 PolarHBondContact O-N 2.99Å; L494-W496 VanDerWaalsContact C-N 3.28Å; L494-W496 PolarHBondContact O-N 3.22Å; L494-T497 WeakPolarHBondContact CA-OG1 3.47Å; L494-T497 PolarHBondContact O-N 3.35Å; L494-T497 PolarHBondContact O-OG1 2.85Å; L494-Q498 WeakPolarHBondContact O-CB 3.43Å; L494-Q498 VanDerWaalsContact O-CG 3.22Å; L494-Q498 WeakPolarHBondContact O-CG 3.21Å; L494-Q498 PolarHBondContact O-N 3.27Å; L494-F508 HydrophobicContact CD2-CD1 4.47Å; L494-I513 HydrophobicContact CD2-CD1 3.52Å; L494-I513 HydrophobicContact CG-CD1 4.16Å |
| 495 | A | 77.6 | Confident | 76.9 | Confident | 38 Ų | 38 | 80.9 Ų | 80.9 | 31% | 0.314 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -68.4 | -24.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | A491 D492 F493 K499 | A491-A495 WeakPolarHBondContact O-CB 3.39Å; A491-A495 PolarHBondContact O-N 2.98Å; D492-A495 PolarHBondContact O-N 3.34Å; F493-A495 VanDerWaalsContact C-N 3.35Å; F493-A495 PolarHBondContact O-N 3.01Å; A495-K499 VanDerWaalsContact O-CD 3.24Å; A495-K499 WeakPolarHBondContact O-CD 3.38Å; A495-K499 WeakPolarHBondContact O-CE 3.35Å; A495-K499 PolarHBondContact O-NZ 3.42Å |
| 496 | W | 74.7 | Confident | 75.8 | Confident | 56 Ų | 56 | 81.7 Ų | 81.7 | 21% | 0.212 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -81.5 | -46.7 | 172.3 | 177.6 | 87.7 | 0 | 0 | 0 | 112 | D492 F493 L494 K499 Y680 L874 | D492-W496 WeakPolarHBondContact O-CB 3.48Å; D492-W496 PolarHBondContact O-N 2.91Å; F493-W496 PolarHBondContact O-N 3.35Å; L494-W496 VanDerWaalsContact C-N 3.28Å; L494-W496 PolarHBondContact O-N 3.22Å; W496-K499 PolarHBondContact O-N 3.22Å; W496-Y680 HydrophobicContact CD2-CE2 4.48Å; W496-Y680 AromaticContact CE3-CE2 3.85Å; W496-Y680 HydrophobicContact CE3-CE2 3.85Å; W496-Y680 HydrophobicContact CH2-CD2 4.4Å; W496-Y680 AromaticContact CH2-CE2 3.98Å; W496-Y680 HydrophobicContact CH2-CE2 3.98Å; W496-Y680 HydrophobicContact CZ3-CD2 4.02Å; W496-Y680 AromaticContact CZ3-CE2 3.59Å; W496-Y680 HydrophobicContact CZ3-CE2 3.59Å; W496-L874 HydrophobicContact CH2-CD2 4.04Å; W496-L874 HydrophobicContact CZ2-CD2 4.45Å |
| 497 | T | 71.9 | Confident | 74.9 | Confident | 0 Ų | 0 | 78.3 Ų | 78.3 | 0% | 0 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -64.9 | -42.2 | -178.3 | 51.7 | 0 | 0 | 0 | 0 | 112.4 | F493 L494 K499 K500 I503 F507 F508 | F493-T497 HydrophobicContact CD2-CG2 3.82Å; F493-T497 HydrophobicContact CE1-CG2 4.33Å; F493-T497 HydrophobicContact CE2-CG2 3.53Å; F493-T497 HydrophobicContact CG-CG2 4.39Å; F493-T497 HydrophobicContact CZ-CG2 3.84Å; F493-T497 VanDerWaalsContact O-CG2 3.3Å; F493-T497 WeakPolarHBondContact O-CG2 3.47Å; F493-T497 PolarHBondContact O-N 3Å; F493-T497 PolarHBondContact O-OG1 3.41Å; L494-T497 WeakPolarHBondContact CA-OG1 3.47Å; L494-T497 PolarHBondContact O-N 3.35Å; L494-T497 PolarHBondContact O-OG1 2.85Å; T497-K499 PolarHBondContact O-N 3.45Å; T497-K500 VanDerWaalsContact O-CB 3.27Å; T497-K500 WeakPolarHBondContact O-CB 3.26Å; T497-K500 PolarHBondContact O-N 3Å; T497-I503 HydrophobicContact CG2-CD1 4.23Å; T497-F507 HydrophobicContact CG2-CD1 4.34Å; T497-F507 HydrophobicContact CG2-CE1 3.69Å; T497-F508 WeakPolarHBondContact OG1-CE1 3.19Å |
| 498 | Q | 69 | Low | 74 | Confident | 141 Ų | 141 | 73.8 Ų | 73.8 | 66% | 0.659 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -22.5 | 179.2 | -74.5 | 174.8 | 6.6 | 0 | 0 | 113.7 | L494 K500 F508 | L494-Q498 WeakPolarHBondContact O-CB 3.43Å; L494-Q498 VanDerWaalsContact O-CG 3.22Å; L494-Q498 WeakPolarHBondContact O-CG 3.21Å; L494-Q498 PolarHBondContact O-N 3.27Å; Q498-K500 PolarHBondContact O-N 3.07Å; Q498-F508 HydrophobicContact CG-CE1 4.25Å |
| 499 | K | 69.1 | Low | 73.2 | Confident | 142 Ų | 142 | 72 Ų | 72 | 62% | 0.617 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | 0.7 | 177.1 | -63.5 | 168.5 | -172.2 | 147.9 | 0 | 112.9 | A495 W496 T497 L689 | A495-K499 VanDerWaalsContact O-CD 3.24Å; A495-K499 WeakPolarHBondContact O-CD 3.38Å; A495-K499 WeakPolarHBondContact O-CE 3.35Å; A495-K499 PolarHBondContact O-NZ 3.42Å; W496-K499 PolarHBondContact O-N 3.22Å; T497-K499 PolarHBondContact O-N 3.45Å; K499-L689 HydrophobicContact CB-CD1 4.35Å; K499-L689 HydrophobicContact CD-CD1 3.27Å; K499-L689 HydrophobicContact CG-CD1 4.41Å |
| 500 | K | 71.7 | Confident | 72.3 | Confident | 45 Ų | 45 | 79.5 Ų | 79.5 | 20% | 0.196 | 38% | 0.379 | C | S | . | . | trans | -109.9 | 95.8 | -176.1 | -57.8 | -74.5 | -164.9 | 167.8 | 0 | 110.9 | T497 Q498 F502 I503 R871 Y872 | T497-K500 VanDerWaalsContact O-CB 3.27Å; T497-K500 WeakPolarHBondContact O-CB 3.26Å; T497-K500 PolarHBondContact O-N 3Å; Q498-K500 PolarHBondContact O-N 3.07Å; K500-F502 PolarHBondContact O-N 3.25Å; K500-I503 HydrophobicContact CB-CD1 3.49Å; K500-I503 VanDerWaalsContact CB-CD1 3.49Å; K500-I503 HydrophobicContact CB-CG1 3.65Å; K500-I503 HydrophobicContact CG-CD1 3.89Å; K500-I503 HydrophobicContact CG-CG1 4.5Å; K500-I503 PolarHBondContact O-N 3.19Å; K500-R871 PolarHBondContact NZ-O 3.12Å; K500-Y872 HydrophobicContact CB-CE1 3.84Å; K500-Y872 HydrophobicContact CD-CE1 4.38Å | ||
| 501 | R | 66.1 | Low | 71.4 | Confident | 226 Ų | 226 | 83.1 Ų | 83.1 | 85% | 0.853 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | -19.6 | -176.3 | -167.4 | 172 | -178.4 | 173.5 | 0.9 | 117.4 | Y872 | R501-Y872 WeakPolarHBondContact CA-OH 3.47Å; R501-Y872 PolarHBondContact N-OH 3.04Å |
| 502 | F | 70.8 | Confident | 70.5 | Confident | 126 Ų | 126 | 82.6 Ų | 82.6 | 55% | 0.553 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.2 | 17.9 | -176.6 | -54.9 | -55.5 | 0 | 0 | 0 | 114.8 | K500 V868 Y872 | K500-F502 PolarHBondContact O-N 3.25Å; F502-V868 HydrophobicContact CD2-CG1 4.22Å; F502-V868 HydrophobicContact CE2-CG1 4.23Å; F502-V868 HydrophobicContact CE2-CG2 4.44Å; F502-Y872 HydrophobicContact CB-CD1 4.29Å; F502-Y872 HydrophobicContact CB-CE1 3.67Å; F502-Y872 HydrophobicContact CB-CE2 4.46Å; F502-Y872 HydrophobicContact CD2-CD2 4.27Å; F502-Y872 HydrophobicContact CD2-CE1 4.27Å; F502-Y872 AromaticContact CD2-CE2 3.53Å; F502-Y872 HydrophobicContact CD2-CE2 3.53Å; F502-Y872 AromaticContact CD2-CZ 3.52Å; F502-Y872 WeakPolarHBondContact CD2-OH 3.13Å; F502-Y872 HydrophobicContact CE2-CE2 4.28Å; F502-Y872 HydrophobicContact CG-CE1 4.41Å; F502-Y872 HydrophobicContact CG-CE2 4.43Å; F502-Y872 PolarHBondContact N-OH 3.15Å |
| 503 | I | 70.5 | Confident | 70 | Confident | 34 Ų | 34 | 80.4 Ų | 80.4 | 17% | 0.174 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -76.5 | 135.4 | 170.3 | -65.2 | -174.7 | 0 | 0 | 0 | 109.2 | T497 K500 F507 F508 Y872 | T497-I503 HydrophobicContact CG2-CD1 4.23Å; K500-I503 HydrophobicContact CB-CD1 3.49Å; K500-I503 VanDerWaalsContact CB-CD1 3.49Å; K500-I503 HydrophobicContact CB-CG1 3.65Å; K500-I503 HydrophobicContact CG-CD1 3.89Å; K500-I503 HydrophobicContact CG-CG1 4.5Å; K500-I503 PolarHBondContact O-N 3.19Å; I503-F507 HydrophobicContact CG2-CB 3.56Å; I503-F507 HydrophobicContact CG2-CD1 3.5Å; I503-F507 VanDerWaalsContact CG2-CD1 3.5Å; I503-F507 HydrophobicContact CG2-CD2 4.34Å; I503-F507 HydrophobicContact CG2-CE1 4.3Å; I503-F507 HydrophobicContact CG2-CG 3.54Å; I503-F508 HydrophobicContact CB-CE2 3.89Å; I503-F508 HydrophobicContact CB-CZ 3.99Å; I503-F508 HydrophobicContact CG2-CD2 4.3Å; I503-F508 HydrophobicContact CG2-CE2 3.51Å; I503-F508 HydrophobicContact CG2-CZ 3.82Å; I503-Y872 HydrophobicContact CG1-CE1 4.45Å |
| 504 | P | 67.5 | Low | 69.4 | Low | 66 Ų | 66 | 85.3 Ų | 85.3 | 43% | 0.429 | 40% | 0.395 | S | S | . | . | trans | -56.6 | 149 | 174.1 | -24.7 | 34.8 | 0 | 0 | 0 | 112.4 | D506 F507 F508 | P504-D506 VanDerWaalsContact C-N 3.28Å; P504-D506 PolarHBondContact O-N 2.85Å; P504-F507 VanDerWaalsContact O-CB 3.29Å; P504-F507 WeakPolarHBondContact O-CB 3.43Å; P504-F507 PolarHBondContact O-N 3.04Å; P504-F508 VanDerWaalsContact O-CD2 3.29Å; P504-F508 WeakPolarHBondContact O-CD2 3.12Å; P504-F508 WeakPolarHBondContact O-CE2 3.24Å | ||
| 505 | K | 69 | Low | 69 | Low | 186 Ų | 186 | 88.7 Ų | 88.7 | 81% | 0.809 | 41% | 0.408 | S | S | * | . | G | 310 helix | trans | -62.9 | -36.8 | 179.3 | -73.1 | -173.3 | 177 | -177.9 | 0 | 112.6 | F507 F508 | K505-F507 PolarHBondContact O-N 2.62Å; K505-F508 WeakPolarHBondContact O-CB 3.33Å; K505-F508 WeakPolarHBondContact O-CD2 3.48Å; K505-F508 PolarHBondContact O-N 2.88Å |
| 506 | D | 67.7 | Low | 69.2 | Low | 110 Ų | 110 | 87.2 Ų | 87.2 | 59% | 0.588 | 40% | 0.395 | S | S | * | . | G | 310 helix | trans | -67.1 | -24.2 | -175 | -42 | -26.7 | 0 | 0 | 0 | 111.9 | P504 F508 N509 Q512 | P504-D506 VanDerWaalsContact C-N 3.28Å; P504-D506 PolarHBondContact O-N 2.85Å; D506-F508 PolarHBondContact O-N 2.9Å; D506-N509 VanDerWaalsContact O-CB 3.25Å; D506-N509 WeakPolarHBondContact O-CB 3.48Å; D506-N509 PolarHBondContact O-N 2.93Å; D506-Q512 PolarHBondContact O-OE1 3.05Å |
| 507 | F | 65.9 | Low | 69.4 | Low | 31 Ų | 31 | 86.7 Ų | 86.7 | 14% | 0.136 | 40% | 0.398 | C | S | . | . | G | 310 helix | trans | -61 | -21.5 | 171.5 | -168.9 | -85.7 | 0 | 0 | 0 | 113.3 | F493 T497 I503 P504 K505 Y670 | F493-F507 HydrophobicContact CE1-CE1 4.29Å; F493-F507 HydrophobicContact CE2-CE1 4.03Å; F493-F507 HydrophobicContact CE2-CZ 4.23Å; F493-F507 HydrophobicContact CZ-CD1 4.48Å; F493-F507 AromaticContact CZ-CE1 3.43Å; F493-F507 HydrophobicContact CZ-CE1 3.43Å; F493-F507 VanDerWaalsContact CZ-CE1 3.43Å; F493-F507 AromaticContact CZ-CZ 3.74Å; F493-F507 HydrophobicContact CZ-CZ 3.74Å; T497-F507 HydrophobicContact CG2-CD1 4.34Å; T497-F507 HydrophobicContact CG2-CE1 3.69Å; I503-F507 HydrophobicContact CG2-CB 3.56Å; I503-F507 HydrophobicContact CG2-CD1 3.5Å; I503-F507 VanDerWaalsContact CG2-CD1 3.5Å; I503-F507 HydrophobicContact CG2-CD2 4.34Å; I503-F507 HydrophobicContact CG2-CE1 4.3Å; I503-F507 HydrophobicContact CG2-CG 3.54Å; P504-F507 VanDerWaalsContact O-CB 3.29Å; P504-F507 WeakPolarHBondContact O-CB 3.43Å; P504-F507 PolarHBondContact O-N 3.04Å; K505-F507 PolarHBondContact O-N 2.62Å; F507-Y670 HydrophobicContact CB-CD2 4Å; F507-Y670 HydrophobicContact CB-CE2 3.76Å; F507-Y670 AromaticContact CD2-CD1 3.67Å; F507-Y670 HydrophobicContact CD2-CD1 3.67Å; F507-Y670 AromaticContact CD2-CD2 3.4Å; F507-Y670 HydrophobicContact CD2-CD2 3.4Å; F507-Y670 HydrophobicContact CD2-CE1 4.06Å; F507-Y670 AromaticContact CD2-CE2 3.84Å; F507-Y670 HydrophobicContact CD2-CE2 3.84Å; F507-Y670 AromaticContact CD2-CG 3.32Å; F507-Y670 HydrophobicContact CD2-CG 3.32Å; F507-Y670 HydrophobicContact CE2-CD1 4.06Å; F507-Y670 HydrophobicContact CE2-CD2 4.15Å; F507-Y670 AromaticContact CE2-CG 3.69Å; F507-Y670 HydrophobicContact CE2-CG 3.69Å; F507-Y670 HydrophobicContact CG-CD2 4Å; F507-Y670 HydrophobicContact CG-CE2 4.23Å; F507-Y670 HydrophobicContact CG-CG 4.34Å |
| 508 | F | 65.7 | Low | 70.1 | Confident | 64 Ų | 64 | 86.9 Ų | 86.9 | 28% | 0.281 | 40% | 0.4 | S | S | . | . | G | 310 helix | trans | -93.2 | 10.3 | 176.8 | -57.3 | -92.1 | 0 | 0 | 0 | 112.7 | L494 T497 Q498 I503 P504 K505 D506 K510 | L494-F508 HydrophobicContact CD2-CD1 4.47Å; T497-F508 WeakPolarHBondContact OG1-CE1 3.19Å; Q498-F508 HydrophobicContact CG-CE1 4.25Å; I503-F508 HydrophobicContact CB-CE2 3.89Å; I503-F508 HydrophobicContact CB-CZ 3.99Å; I503-F508 HydrophobicContact CG2-CD2 4.3Å; I503-F508 HydrophobicContact CG2-CE2 3.51Å; I503-F508 HydrophobicContact CG2-CZ 3.82Å; P504-F508 VanDerWaalsContact O-CD2 3.29Å; P504-F508 WeakPolarHBondContact O-CD2 3.12Å; P504-F508 WeakPolarHBondContact O-CE2 3.24Å; K505-F508 WeakPolarHBondContact O-CB 3.33Å; K505-F508 WeakPolarHBondContact O-CD2 3.48Å; K505-F508 PolarHBondContact O-N 2.88Å; D506-F508 PolarHBondContact O-N 2.9Å; F508-K510 PolarHBondContact O-N 3.06Å |
| 509 | N | 69 | Low | 71 | Confident | 67 Ų | 67 | 80.3 Ų | 80.3 | 36% | 0.358 | 37% | 0.369 | S | S | . | . | trans | -61.2 | 122.2 | 174.9 | -177.4 | -3.2 | 0 | 0 | 0 | 110 | D506 E511 Q512 I513 | D506-N509 VanDerWaalsContact O-CB 3.25Å; D506-N509 WeakPolarHBondContact O-CB 3.48Å; D506-N509 PolarHBondContact O-N 2.93Å; N509-E511 VanDerWaalsContact C-N 3.28Å; N509-E511 PolarHBondContact O-N 2.73Å; N509-E511 PolarHBondContact OD1-N 3.34Å; N509-Q512 PolarHBondContact O-N 2.8Å; N509-Q512 VanDerWaalsContact O-N 3.11Å; N509-I513 WeakPolarHBondContact O-CG1 3.47Å; N509-I513 PolarHBondContact O-N 3.49Å | ||
| 510 | K | 65 | Low | 72 | Confident | 156 Ų | 156 | 73.7 Ų | 73.7 | 68% | 0.678 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -51.7 | -43.7 | -179.5 | -72.6 | -173.6 | 174.5 | -174 | 0 | 112.8 | F508 Q512 I513 E514 | F508-K510 PolarHBondContact O-N 3.06Å; K510-Q512 VanDerWaalsContact C-N 3.29Å; K510-Q512 PolarHBondContact O-N 2.99Å; K510-I513 CarbonylContact O-C 3.6Å; K510-I513 WeakPolarHBondContact O-CA 3.2Å; K510-I513 WeakPolarHBondContact O-CB 3.39Å; K510-I513 PolarHBondContact O-N 2.8Å; K510-E514 WeakPolarHBondContact O-CB 3.45Å; K510-E514 WeakPolarHBondContact O-CG 3.06Å; K510-E514 PolarHBondContact O-N 3.25Å |
| 511 | E | 64.2 | Low | 72.8 | Confident | 104 Ų | 104 | 71.7 Ų | 71.7 | 49% | 0.486 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -58.2 | -39.3 | -179.6 | -68.6 | 172.1 | -132.6 | 0 | 0 | 113.2 | N509 I513 E514 K515 | N509-E511 VanDerWaalsContact C-N 3.28Å; N509-E511 PolarHBondContact O-N 2.73Å; N509-E511 PolarHBondContact OD1-N 3.34Å; E511-I513 VanDerWaalsContact C-N 3.32Å; E511-E514 PolarHBondContact O-N 2.86Å; E511-K515 VanDerWaalsContact O-CD 3.29Å; E511-K515 WeakPolarHBondContact O-CD 3.34Å; E511-K515 VanDerWaalsContact O-CG 3.25Å; E511-K515 WeakPolarHBondContact O-CG 3.47Å; E511-K515 PolarHBondContact O-N 3.4Å; E511-K515 VanDerWaalsContact O-N 3.07Å; E511-K515 IonicContact OE2-NZ 3.24Å |
| 512 | Q | 65.8 | Low | 74 | Confident | 41 Ų | 41 | 60.9 Ų | 60.9 | 19% | 0.192 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -71.6 | -32.2 | 178.7 | -71.9 | -175.8 | -21.8 | 0 | 0 | 111.2 | D506 N509 K510 K515 | D506-Q512 PolarHBondContact O-OE1 3.05Å; N509-Q512 PolarHBondContact O-N 2.8Å; N509-Q512 VanDerWaalsContact O-N 3.11Å; K510-Q512 VanDerWaalsContact C-N 3.29Å; K510-Q512 PolarHBondContact O-N 2.99Å; Q512-K515 PolarHBondContact O-N 3.3Å |
| 513 | I | 70.1 | Confident | 75 | Confident | 5 Ų | 5 | 54.9 Ų | 54.9 | 3% | 0.026 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -75.1 | -34.5 | 176.2 | -58.4 | -175.2 | 0 | 0 | 0 | 110.9 | I490 F493 L494 N509 K510 E511 K515 M516 | I490-I513 HydrophobicContact CB-CG2 4.18Å; I490-I513 HydrophobicContact CD1-CG2 4.44Å; I490-I513 HydrophobicContact CG1-CG2 3.88Å; I490-I513 HydrophobicContact CG2-CG2 3.61Å; F493-I513 HydrophobicContact CD1-CD1 4.43Å; F493-I513 HydrophobicContact CD1-CG1 4.44Å; F493-I513 HydrophobicContact CD1-CG2 4.15Å; F493-I513 HydrophobicContact CE1-CD1 4.18Å; F493-I513 HydrophobicContact CE1-CG1 4.01Å; F493-I513 HydrophobicContact CE1-CG2 4.49Å; L494-I513 HydrophobicContact CD2-CD1 3.52Å; L494-I513 HydrophobicContact CG-CD1 4.16Å; N509-I513 WeakPolarHBondContact O-CG1 3.47Å; N509-I513 PolarHBondContact O-N 3.49Å; K510-I513 CarbonylContact O-C 3.6Å; K510-I513 WeakPolarHBondContact O-CA 3.2Å; K510-I513 WeakPolarHBondContact O-CB 3.39Å; K510-I513 PolarHBondContact O-N 2.8Å; E511-I513 VanDerWaalsContact C-N 3.32Å; I513-K515 VanDerWaalsContact C-N 3.28Å; I513-K515 PolarHBondContact O-N 2.95Å; I513-M516 WeakPolarHBondContact O-CB 3.43Å; I513-M516 PolarHBondContact O-N 3.1Å; I513-M516 VanDerWaalsContact O-N 3.13Å |
| 514 | E | 67.7 | Low | 76.1 | Confident | 103 Ų | 103 | 54.1 Ų | 54.1 | 48% | 0.481 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -71.2 | -24.2 | 173.8 | -73.7 | 164 | -158.9 | 0 | 0 | 111.9 | R486 K510 E511 M516 | R486-E514 PolarHBondContact NE-O 2.87Å; R486-E514 PolarHBondContact NH2-O 2.71Å; K510-E514 WeakPolarHBondContact O-CB 3.45Å; K510-E514 WeakPolarHBondContact O-CG 3.06Å; K510-E514 PolarHBondContact O-N 3.25Å; E511-E514 PolarHBondContact O-N 2.86Å; E514-M516 PolarHBondContact O-N 3.13Å; E514-M516 VanDerWaalsContact O-N 3.09Å |
| 515 | K | 71.1 | Confident | 77.5 | Confident | 121 Ų | 121 | 51 Ų | 51 | 53% | 0.526 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73 | 13.6 | 167.2 | -69.6 | 157.8 | -169.8 | 161.6 | 0 | 113.4 | E511 Q512 I513 T517 | E511-K515 VanDerWaalsContact O-CD 3.29Å; E511-K515 WeakPolarHBondContact O-CD 3.34Å; E511-K515 VanDerWaalsContact O-CG 3.25Å; E511-K515 WeakPolarHBondContact O-CG 3.47Å; E511-K515 PolarHBondContact O-N 3.4Å; E511-K515 VanDerWaalsContact O-N 3.07Å; E511-K515 IonicContact OE2-NZ 3.24Å; Q512-K515 PolarHBondContact O-N 3.3Å; I513-K515 VanDerWaalsContact C-N 3.28Å; I513-K515 PolarHBondContact O-N 2.95Å; K515-T517 PolarHBondContact O-N 2.88Å; K515-T517 PolarHBondContact O-OG1 2.96Å |
| 516 | M | 79.9 | Confident | 78.8 | Confident | 7 Ų | 7 | 42.1 Ų | 42.1 | 3% | 0.034 | 20% | 0.201 | C | C | . | . | trans | -63.1 | 119.9 | 169.3 | -176 | -179.9 | -69.7 | 0 | 0 | 111 | A489 I490 F493 I513 E514 W666 L667 V668 | A489-M516 HydrophobicContact CB-CE 4.42Å; A489-M516 HydrophobicContact CB-SD 3.43Å; A489-M516 WeakPolarHBondContact CB-SD 3.28Å; I490-M516 HydrophobicContact CG1-CB 4.36Å; I490-M516 HydrophobicContact CG1-CE 3.93Å; I490-M516 HydrophobicContact CG1-SD 3.9Å; F493-M516 HydrophobicContact CB-CE 3.96Å; F493-M516 HydrophobicContact CD1-CE 4.15Å; F493-M516 HydrophobicContact CG-CE 4.2Å; I513-M516 WeakPolarHBondContact O-CB 3.43Å; I513-M516 PolarHBondContact O-N 3.1Å; I513-M516 VanDerWaalsContact O-N 3.13Å; E514-M516 PolarHBondContact O-N 3.13Å; E514-M516 VanDerWaalsContact O-N 3.09Å; M516-W666 HydrophobicContact CG-CB 4.35Å; M516-W666 HydrophobicContact CG-CD2 4.43Å; M516-W666 HydrophobicContact CG-CE3 3.79Å; M516-W666 HydrophobicContact SD-CB 4.14Å; M516-W666 HydrophobicContact SD-CD2 4.22Å; M516-W666 HydrophobicContact SD-CE3 4.09Å; M516-W666 HydrophobicContact SD-CG 4.27Å; M516-L667 CarbonylContact C-O 3.5Å; M516-L667 WeakPolarHBondContact CA-O 3.33Å; M516-V668 HydrophobicContact CB-CG2 3.82Å; M516-V668 HydrophobicContact CE-CG2 3.42Å; M516-V668 VanDerWaalsContact CE-CG2 3.42Å; M516-V668 HydrophobicContact CG-CG2 3.75Å; M516-V668 HydrophobicContact SD-CG2 4.4Å | ||
| 517 | T | 79.5 | Confident | 80.2 | Confident | 46 Ų | 46 | 38.5 Ų | 38.5 | 28% | 0.282 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 132.6 | -175 | -58.5 | 0 | 0 | 0 | 0 | 110.2 | K515 V519 Q607 L667 | K515-T517 PolarHBondContact O-N 2.88Å; K515-T517 PolarHBondContact O-OG1 2.96Å; T517-V519 HydrophobicContact CG2-CG2 3.94Å; T517-Q607 HydrophobicContact CG2-CG 3.89Å; T517-L667 PolarHBondContact N-O 2.93Å; T517-L667 PolarHBondContact O-N 3.16Å |
| 518 | G | 87.7 | Confident | 81.7 | Confident | 4 Ų | 4 | 37.3 Ų | 37.3 | 4% | 0.041 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 124.4 | 173 | 0 | 0 | 0 | 0 | 0 | 109.8 | Q607 W666 | G518-Q607 PolarHBondContact O-N 3.47Å; G518-W666 VanDerWaalsContact CA-CE3 3.42Å; G518-W666 VanDerWaalsContact CA-CZ3 3.42Å |
| 519 | V | 86.2 | Confident | 83.2 | Confident | 2 Ų | 2 | 37.5 Ų | 37.5 | 1% | 0.012 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 131.7 | -176.3 | -170.7 | 0 | 0 | 0 | 0 | 110 | T517 F521 Q607 E609 V665 L667 | T517-V519 HydrophobicContact CG2-CG2 3.94Å; V519-F521 HydrophobicContact CB-CD2 4.11Å; V519-F521 HydrophobicContact CB-CE2 3.81Å; V519-F521 HydrophobicContact CG1-CD2 3.92Å; V519-F521 HydrophobicContact CG1-CE2 3.72Å; V519-Q607 CarbonylContact C-O 3.45Å; V519-Q607 WeakPolarHBondContact CA-O 3.42Å; V519-Q607 HydrophobicContact CG1-CB 4.2Å; V519-Q607 HydrophobicContact CG2-CB 4.16Å; V519-E609 HydrophobicContact CG1-CG 4.19Å; V519-V665 PolarHBondContact N-O 2.86Å; V519-V665 PolarHBondContact O-N 3.47Å; V519-L667 HydrophobicContact CB-CD1 4.38Å; V519-L667 HydrophobicContact CG2-CD1 3.78Å; V519-L667 HydrophobicContact CG2-CG 4.12Å |
| 520 | Y | 90.7 | Very high | 84.6 | Confident | 3 Ų | 3 | 34.3 Ų | 34.3 | 1% | 0.012 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 117.2 | 166.2 | -76.5 | -73.7 | 0 | 0 | 0 | 110.5 | V479 F482 Y602 L603 F606 Q607 A608 E609 L662 P664 | V479-Y520 HydrophobicContact CG2-CD1 3.85Å; V479-Y520 HydrophobicContact CG2-CE1 3.38Å; F482-Y520 AromaticContact CD2-CE1 3.96Å; F482-Y520 HydrophobicContact CD2-CE1 3.96Å; F482-Y520 AromaticContact CD2-CE2 3.99Å; F482-Y520 HydrophobicContact CD2-CE2 3.99Å; F482-Y520 AromaticContact CD2-CZ 3.6Å; F482-Y520 HydrophobicContact CE2-CD1 4.23Å; F482-Y520 HydrophobicContact CE2-CD2 4.15Å; F482-Y520 AromaticContact CE2-CE1 3.95Å; F482-Y520 HydrophobicContact CE2-CE1 3.95Å; F482-Y520 AromaticContact CE2-CE2 3.87Å; F482-Y520 HydrophobicContact CE2-CE2 3.87Å; F482-Y520 HydrophobicContact CE2-CG 4.34Å; F482-Y520 AromaticContact CE2-CZ 3.79Å; Y520-Y602 WeakPolarHBondContact CE2-O 3.19Å; Y520-Y602 PolarHBondContact OH-O 2.74Å; Y520-L603 HydrophobicContact CD2-CD2 3.7Å; Y520-L603 HydrophobicContact CE2-CD2 4.13Å; Y520-L603 HydrophobicContact CG-CD2 4.24Å; Y520-F606 HydrophobicContact CD2-CB 3.76Å; Y520-F606 HydrophobicContact CD2-CG 4.25Å; Y520-F606 HydrophobicContact CE2-CB 3.7Å; Y520-F606 AromaticContact CE2-CD2 3.71Å; Y520-F606 HydrophobicContact CE2-CD2 3.71Å; Y520-F606 AromaticContact CE2-CG 3.72Å; Y520-F606 HydrophobicContact CE2-CG 3.72Å; Y520-Q607 PolarHBondContact N-O 2.88Å; Y520-A608 WeakPolarHBondContact O-CA 3.27Å; Y520-E609 PolarHBondContact O-N 3.46Å; Y520-L662 HydrophobicContact CD1-CB 4.03Å; Y520-L662 HydrophobicContact CG-CB 4.34Å; Y520-P664 HydrophobicContact CE1-CB 4.18Å |
| 521 | F | 89.2 | Confident | 86.2 | Confident | 3 Ų | 3 | 28 Ų | 28 | 1% | 0.013 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 141.8 | 175.6 | -85.2 | -104.8 | 0 | 0 | 0 | 110.5 | V519 Y523 L575 N578 V584 L662 L663 V665 L667 | V519-F521 HydrophobicContact CB-CD2 4.11Å; V519-F521 HydrophobicContact CB-CE2 3.81Å; V519-F521 HydrophobicContact CG1-CD2 3.92Å; V519-F521 HydrophobicContact CG1-CE2 3.72Å; F521-Y523 HydrophobicContact CB-CD2 4.16Å; F521-Y523 HydrophobicContact CB-CE2 3.53Å; F521-Y523 WeakPolarHBondContact O-CD2 3.49Å; F521-L575 HydrophobicContact CD1-CD1 3.74Å; F521-L575 HydrophobicContact CE1-CD1 3.96Å; F521-N578 WeakPolarHBondContact CE1-ND2 3.42Å; F521-V584 HydrophobicContact CD1-CG1 3.81Å; F521-V584 HydrophobicContact CD1-CG2 4.1Å; F521-V584 HydrophobicContact CE1-CG1 4.27Å; F521-V584 HydrophobicContact CE1-CG2 3.7Å; F521-V584 HydrophobicContact CG-CG1 4.43Å; F521-V584 HydrophobicContact CZ-CG2 4.41Å; F521-L662 WeakPolarHBondContact O-CA 3.39Å; F521-L663 PolarHBondContact N-O 3.34Å; F521-L663 PolarHBondContact O-N 3.5Å; F521-V665 HydrophobicContact CB-CG2 4.35Å; F521-V665 HydrophobicContact CD2-CB 3.74Å; F521-V665 HydrophobicContact CD2-CG1 4.47Å; F521-V665 HydrophobicContact CD2-CG2 3.71Å; F521-V665 HydrophobicContact CE2-CB 4Å; F521-V665 HydrophobicContact CE2-CG1 4.31Å; F521-V665 HydrophobicContact CE2-CG2 4.35Å; F521-V665 HydrophobicContact CG-CG2 4.23Å; F521-L667 HydrophobicContact CE2-CD1 3.9Å; F521-L667 HydrophobicContact CE2-CD2 4.24Å; F521-L667 HydrophobicContact CE2-CG 4.2Å; F521-L667 HydrophobicContact CZ-CD1 3.96Å; F521-L667 HydrophobicContact CZ-CD2 4.37Å |
| 522 | P | 90.3 | Very high | 87.7 | Confident | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 131.1 | 177.3 | 35 | -35.5 | 0 | 0 | 0 | 110.5 | A574 L575 E609 R611 Y660 L662 | P522-A574 HydrophobicContact CB-CB 4.2Å; P522-A574 HydrophobicContact CG-CB 4.38Å; P522-A574 WeakPolarHBondContact O-CB 3.28Å; P522-A574 PolarHBondContact O-N 3.08Å; P522-L575 HydrophobicContact CG-CD1 4.08Å; P522-L575 HydrophobicContact CG-CD2 3.65Å; P522-L575 HydrophobicContact CG-CG 3.55Å; P522-E609 WeakPolarHBondContact CD-O 3.38Å; P522-E609 HydrophobicContact CG-CB 4.42Å; P522-R611 HydrophobicContact CB-CB 4.04Å; P522-R611 HydrophobicContact CG-CB 4.32Å; P522-Y660 HydrophobicContact CB-CD2 4.47Å; P522-Y660 HydrophobicContact CB-CE2 3.44Å; P522-Y660 VanDerWaalsContact CB-CE2 3.44Å; P522-L662 HydrophobicContact CB-CD2 4.16Å |
| 523 | Y | 92.5 | Very high | 89.2 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 148.3 | 175.5 | -69.7 | -104.3 | 0 | 0 | 0 | 110.7 | F521 T571 K572 N573 V584 F590 M661 L663 | F521-Y523 HydrophobicContact CB-CD2 4.16Å; F521-Y523 HydrophobicContact CB-CE2 3.53Å; F521-Y523 WeakPolarHBondContact O-CD2 3.49Å; Y523-T571 HydrophobicContact CD1-CG2 3.59Å; Y523-T571 HydrophobicContact CE1-CG2 4.25Å; Y523-T571 HydrophobicContact CG-CG2 4.11Å; Y523-K572 CarbonylContact C-O 3.55Å; Y523-K572 VanDerWaalsContact CA-O 3.23Å; Y523-K572 WeakPolarHBondContact CA-O 3.49Å; Y523-K572 WeakPolarHBondContact CB-O 3.15Å; Y523-K572 WeakPolarHBondContact CD1-O 3.43Å; Y523-N573 HydrophobicContact CD1-CB 4.26Å; Y523-N573 HydrophobicContact CE1-CB 4.13Å; Y523-V584 HydrophobicContact CE1-CG1 4.14Å; Y523-V584 HydrophobicContact CE2-CG1 4.41Å; Y523-V584 WeakPolarHBondContact OH-CG1 3.35Å; Y523-V584 PolarHBondContact OH-O 2.75Å; Y523-F590 HydrophobicContact CE1-CE2 4.37Å; Y523-F590 HydrophobicContact CE2-CE2 4.3Å; Y523-F590 AromaticContact CZ-CE2 3.86Å; Y523-M661 PolarHBondContact N-O 2.8Å; Y523-M661 PolarHBondContact O-N 3.46Å; Y523-L663 HydrophobicContact CD1-CD1 4.14Å; Y523-L663 HydrophobicContact CD2-CB 3.67Å; Y523-L663 HydrophobicContact CD2-CD1 3.51Å; Y523-L663 HydrophobicContact CD2-CG 3.59Å; Y523-L663 HydrophobicContact CE2-CB 3.71Å; Y523-L663 HydrophobicContact CE2-CD1 3.94Å; Y523-L663 HydrophobicContact CE2-CG 4.11Å; Y523-L663 HydrophobicContact CG-CD1 3.6Å; Y523-L663 HydrophobicContact CG-CG 4.1Å |
| 524 | W | 94.3 | Very high | 90.5 | Very high | 17 Ų | 17 | 24.1 Ų | 24.1 | 6% | 0.064 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 124.3 | 160.5 | -69.8 | 111 | 0 | 0 | 0 | 109.1 | T571 K572 A574 R611 I613 I615 L618 N658 | W524-T571 CarbonylContact O-C 3.49Å; W524-T571 WeakPolarHBondContact O-CA 3.47Å; W524-K572 HydrophobicContact CB-CB 4.41Å; W524-K572 PolarHBondContact N-O 2.86Å; W524-K572 PolarHBondContact O-N 2.88Å; W524-A574 HydrophobicContact CG-CB 4.48Å; W524-R611 VanDerWaalsContact CZ2-NH1 3.32Å; W524-I613 PolarHBondContact NE1-O 3.41Å; W524-I615 HydrophobicContact CB-CD1 3.96Å; W524-I615 HydrophobicContact CD2-CB 3.99Å; W524-I615 HydrophobicContact CD2-CD1 3.95Å; W524-I615 HydrophobicContact CD2-CG1 4.44Å; W524-I615 HydrophobicContact CE3-CB 4.26Å; W524-I615 HydrophobicContact CE3-CD1 4.28Å; W524-I615 HydrophobicContact CG-CD1 3.82Å; W524-I615 HydrophobicContact CH2-CB 4.14Å; W524-I615 HydrophobicContact CH2-CG2 4.36Å; W524-I615 HydrophobicContact CZ2-CB 3.85Å; W524-I615 HydrophobicContact CZ2-CG2 4.35Å; W524-I615 HydrophobicContact CZ3-CB 4.34Å; W524-L618 HydrophobicContact CG-CD1 4.47Å; W524-N658 HydrophobicContact CE3-CB 4.43Å |
| 525 | V | 95.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 121.4 | 170.2 | 176.3 | 0 | 0 | 0 | 0 | 107.4 | T571 I592 H659 M661 | V525-T571 HydrophobicContact CG2-CG2 4.37Å; V525-I592 HydrophobicContact CG1-CG2 3.82Å; V525-I592 HydrophobicContact CG2-CD1 4.14Å; V525-H659 PolarHBondContact N-O 3.4Å; V525-H659 PolarHBondContact O-N 3Å; V525-M661 HydrophobicContact CB-CE 3.95Å; V525-M661 HydrophobicContact CB-CG 4.32Å; V525-M661 HydrophobicContact CB-SD 4.18Å; V525-M661 HydrophobicContact CG1-CE 4.05Å; V525-M661 HydrophobicContact CG2-CB 4.26Å; V525-M661 HydrophobicContact CG2-CE 4.18Å; V525-M661 HydrophobicContact CG2-CG 3.9Å; V525-M661 HydrophobicContact CG2-SD 3.73Å |
| 526 | V | 96.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 125.7 | -175 | -173.3 | 0 | 0 | 0 | 0 | 110.1 | H569 L570 I615 I622 Q656 D657 N658 | V526-H569 PolarHBondContact O-N 3.42Å; V526-L570 HydrophobicContact CB-CB 4.26Å; V526-L570 PolarHBondContact N-O 2.77Å; V526-L570 PolarHBondContact O-N 2.87Å; V526-I615 HydrophobicContact CG2-CD1 4.22Å; V526-I622 HydrophobicContact CG1-CG2 4.11Å; V526-I622 HydrophobicContact CG2-CD1 4.01Å; V526-I622 HydrophobicContact CG2-CG2 4.47Å; V526-Q656 HydrophobicContact CG1-CG 3.53Å; V526-D657 WeakPolarHBondContact CA-O 3.23Å; V526-N658 WeakPolarHBondContact CG2-OD1 3.43Å |
| 527 | D | 96.9 | Very high | 93.6 | Very high | 34 Ų | 34 | 20.4 Ų | 20.4 | 18% | 0.182 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 131.2 | 166.7 | -67.4 | -45.5 | 0 | 0 | 0 | 108.2 | R568 H569 D657 | D527-R568 WeakPolarHBondContact OD1-CA 3.39Å; D527-R568 WeakPolarHBondContact OD1-CB 3.43Å; D527-H569 IonicContact OD1-CD2 3.86Å; D527-H569 PolarHBondContact OD1-CD2 2.88Å; D527-H569 PolarHBondContact OD1-N 3.26Å; D527-D657 PolarHBondContact N-O 3.35Å; D527-D657 PolarHBondContact O-N 3.17Å |
| 528 | A | 97.5 | Very high | 94.2 | Very high | 6 Ų | 6 | 18.2 Ų | 18.2 | 5% | 0.05 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 145.7 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | K566 I567 L626 K655 | A528-K566 CarbonylContact O-C 3.52Å; A528-K566 WeakPolarHBondContact O-CA 3.19Å; A528-I567 PolarHBondContact N-O 2.83Å; A528-I567 PolarHBondContact O-N 2.91Å; A528-L626 HydrophobicContact CB-CD1 3.62Å; A528-L626 HydrophobicContact CB-CD2 3.8Å; A528-L626 HydrophobicContact CB-CG 4.38Å; A528-K655 CarbonylContact C-O 3.45Å; A528-K655 VanDerWaalsContact CA-O 3.3Å; A528-K655 WeakPolarHBondContact CA-O 3.42Å |
| 529 | E | 97.9 | Very high | 94.3 | Very high | 68 Ų | 68 | 19.4 Ų | 19.4 | 32% | 0.318 | 10% | 0.103 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 124.7 | 167.7 | -55.8 | -159.7 | -171.8 | 0 | 0 | 109.1 | K566 E654 K655 | E529-K566 VanDerWaalsContact CD-CE 3.47Å; E529-K566 HydrophobicContact CG-CD 4.24Å; E529-K566 HydrophobicContact CG-CG 4.06Å; E529-K566 WeakPolarHBondContact OE1-CE 3.43Å; E529-K566 IonicContact OE1-NZ 3.52Å; E529-K566 PolarHBondContact OE1-NZ 2.58Å; E529-K566 VanDerWaalsContact OE2-CE 3.31Å; E529-K566 WeakPolarHBondContact OE2-CE 3.41Å; E529-K566 IonicContact OE2-NZ 3.8Å; E529-K566 PolarHBondContact OE2-NZ 3.24Å; E529-K566 VanDerWaalsContact OE2-NZ 3.15Å; E529-E654 PolarHBondContact O-N 3.12Å; E529-K655 HydrophobicContact CB-CB 4.21Å; E529-K655 PolarHBondContact N-O 3.22Å; E529-K655 PolarHBondContact O-N 2.96Å; E529-K655 VanDerWaalsContact O-N 3.1Å |
| 530 | T | 97.7 | Very high | 94.3 | Very high | 1 Ų | 1 | 21.1 Ų | 21.1 | 1% | 0.006 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 150.1 | -179 | 64.8 | 0 | 0 | 0 | 0 | 110.6 | K564 A565 L626 T630 V651 N652 V653 | T530-K564 CarbonylContact O-C 3.54Å; T530-K564 WeakPolarHBondContact O-CA 3.5Å; T530-A565 PolarHBondContact N-O 3.18Å; T530-A565 PolarHBondContact O-N 3.2Å; T530-A565 PolarHBondContact OG1-O 3.44Å; T530-L626 HydrophobicContact CG2-CB 4.28Å; T530-T630 PolarHBondContact OG1-OG1 2.78Å; T530-V651 HydrophobicContact CG2-CG1 4.47Å; T530-N652 CarbonylContact C-O 3.59Å; T530-N652 WeakPolarHBondContact CA-O 3.3Å; T530-N652 WeakPolarHBondContact CB-O 3.39Å; T530-V653 HydrophobicContact CG2-CG2 4.14Å |
| 531 | A | 98 | Very high | 94 | Very high | 24 Ų | 24 | 24.9 Ų | 24.9 | 20% | 0.198 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 119.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | K564 V651 N652 E654 | A531-K564 HydrophobicContact CB-CG 4.37Å; A531-V651 CarbonylContact O-C 3.52Å; A531-V651 WeakPolarHBondContact O-CA 3.34Å; A531-N652 PolarHBondContact N-O 2.86Å; A531-N652 PolarHBondContact O-N 2.87Å; A531-E654 HydrophobicContact CB-CG 3.72Å |
| 532 | G | 97.1 | Very high | 93.7 | Very high | 4 Ų | 4 | 32.4 Ų | 32.4 | 4% | 0.041 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 151.9 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | K562 G563 S650 | G532-K562 WeakPolarHBondContact O-CA 3.49Å; G532-K562 WeakPolarHBondContact O-CG 3.21Å; G532-G563 PolarHBondContact N-O 2.82Å; G532-G563 PolarHBondContact O-N 3.02Å; G532-S650 CarbonylContact C-O 3.5Å; G532-S650 VanDerWaalsContact CA-O 3.31Å; G532-S650 WeakPolarHBondContact CA-O 3.07Å |
| 533 | N | 97.1 | Very high | 93.2 | Very high | 56 Ų | 56 | 36.3 Ų | 36.3 | 30% | 0.299 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 151.8 | 165 | 67.4 | 29.8 | 0 | 0 | 0 | 111.7 | R561 K562 K649 S650 | N533-R561 CarbonylContact C-O 3.32Å; N533-R561 VanDerWaalsContact CA-O 3.27Å; N533-R561 WeakPolarHBondContact CA-O 3.33Å; N533-K562 HydrophobicContact CB-CB 4.31Å; N533-K562 HydrophobicContact CB-CG 4.11Å; N533-K649 WeakPolarHBondContact O-CA 3.47Å; N533-S650 PolarHBondContact N-O 2.88Å; N533-S650 PolarHBondContact ND2-OG 3.37Å; N533-S650 VanDerWaalsContact ND2-OG 3.08Å; N533-S650 PolarHBondContact O-N 3.16Å; N533-S650 PolarHBondContact OD1-N 3.04Å; N533-S650 VanDerWaalsContact OD1-N 3.07Å; N533-S650 PolarHBondContact OD1-OG 2.95Å |
| 534 | L | 96.2 | Very high | 92.9 | Very high | 7 Ų | 7 | 40.5 Ų | 40.5 | 4% | 0.037 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 123.3 | 176.7 | 174.3 | 64.4 | 0 | 0 | 0 | 108.5 | R561 L634 R635 F644 A646 K649 | L534-R561 HydrophobicContact CB-CB 4.38Å; L534-R561 PolarHBondContact N-O 3.25Å; L534-R561 PolarHBondContact O-N 3.08Å; L534-L634 HydrophobicContact CB-CB 4.09Å; L534-L634 HydrophobicContact CB-CD1 4.39Å; L534-L634 HydrophobicContact CD2-CB 4.22Å; L534-R635 HydrophobicContact CD2-CB 3.9Å; L534-R635 HydrophobicContact CD2-CG 4.49Å; L534-F644 HydrophobicContact CD2-CE1 4.24Å; L534-F644 HydrophobicContact CD2-CZ 4.25Å; L534-F644 HydrophobicContact CG-CZ 4.4Å; L534-A646 HydrophobicContact CD1-CB 4.06Å; L534-K649 HydrophobicContact CD1-CB 4.24Å |
| 535 | T | 95.8 | Very high | 92.1 | Very high | 32 Ų | 32 | 44.6 Ų | 44.6 | 20% | 0.196 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 161.3 | 168.6 | 65.2 | 0 | 0 | 0 | 0 | 110 | I559 F560 G647 N648 | T535-I559 CarbonylContact C-O 3.55Å; T535-I559 VanDerWaalsContact CA-O 3.27Å; T535-I559 WeakPolarHBondContact CA-O 3.29Å; T535-F560 HydrophobicContact CG2-CD1 3.8Å; T535-F560 HydrophobicContact CG2-CE1 4.16Å; T535-G647 WeakPolarHBondContact O-CA 3.36Å; T535-G647 PolarHBondContact O-N 2.8Å; T535-N648 PolarHBondContact N-O 2.81Å; T535-N648 PolarHBondContact OG1-N 3.32Å; T535-N648 PolarHBondContact OG1-O 2.84Å |
| 536 | G | 95 | Very high | 91.2 | Very high | 3 Ų | 3 | 48.5 Ų | 48.5 | 3% | 0.031 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 177.5 | -174.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | I559 T645 | G536-I559 PolarHBondContact N-O 3.19Å; G536-I559 PolarHBondContact O-N 3.03Å; G536-T645 CarbonylContact C-O 3.56Å; G536-T645 WeakPolarHBondContact CA-O 3.36Å |
| 537 | K | 93.6 | Very high | 90.6 | Very high | 119 Ų | 119 | 51.8 Ų | 51.8 | 52% | 0.517 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 116 | 178.1 | -69.9 | 179.9 | -179 | 177.3 | 0 | 110.4 | Y557 F644 T645 | K537-Y557 CarbonylContact C-O 3.5Å; K537-Y557 VanDerWaalsContact CA-O 3.29Å; K537-Y557 WeakPolarHBondContact CA-O 3.49Å; K537-F644 WeakPolarHBondContact O-CA 3.48Å; K537-T645 PolarHBondContact N-O 2.66Å; K537-T645 PolarHBondContact O-N 2.89Å |
| 538 | G | 92.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 145.3 | 169 | 0 | 0 | 0 | 0 | 0 | 110.7 | V556 Y557 T643 | G538-V556 WeakPolarHBondContact O-CA 3.5Å; G538-Y557 PolarHBondContact N-O 2.81Å; G538-Y557 PolarHBondContact O-N 3.21Å; G538-T643 CarbonylContact C-O 3.49Å; G538-T643 WeakPolarHBondContact CA-O 3.29Å |
| 539 | T | 89.8 | Confident | 88.6 | Confident | 29 Ų | 29 | 56.3 Ų | 56.3 | 18% | 0.178 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 134.5 | 169.7 | -53 | 0 | 0 | 0 | 0 | 110 | L541 T554 K555 V556 T642 T643 | T539-L541 HydrophobicContact CG2-CD2 4.4Å; T539-T554 HydrophobicContact CG2-CG2 3.44Å; T539-T554 VanDerWaalsContact CG2-CG2 3.44Å; T539-K555 CarbonylContact C-O 3.55Å; T539-K555 VanDerWaalsContact CA-O 3.28Å; T539-K555 WeakPolarHBondContact CA-O 3.43Å; T539-V556 HydrophobicContact CG2-CG2 4.44Å; T539-T642 WeakPolarHBondContact O-CA 3.46Å; T539-T642 WeakPolarHBondContact O-CB 3.5Å; T539-T642 PolarHBondContact O-N 3.22Å; T539-T643 WeakPolarHBondContact CB-OG1 3.44Å; T539-T643 PolarHBondContact N-O 2.59Å; T539-T643 PolarHBondContact O-N 3.1Å; T539-T643 VanDerWaalsContact O-N 3.09Å |
| 540 | S | 86.1 | Confident | 87.7 | Confident | 38 Ų | 38 | 55.9 Ų | 55.9 | 27% | 0.266 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 126.3 | 173.9 | -170.6 | 0 | 0 | 0 | 0 | 109.5 | K555 | S540-K555 PolarHBondContact N-O 3.42Å; S540-K555 PolarHBondContact O-N 3.1Å |
| 541 | L | 84.3 | Confident | 87.2 | Confident | 82 Ų | 82 | 59.2 Ų | 59.2 | 43% | 0.429 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 131 | 178 | -64.4 | 179.5 | 0 | 0 | 0 | 110.6 | T539 T552 E553 T554 T642 | T539-L541 HydrophobicContact CG2-CD2 4.4Å; L541-T552 HydrophobicContact CD2-CG2 4.12Å; L541-E553 WeakPolarHBondContact CA-O 3.35Å; L541-T554 HydrophobicContact CD2-CG2 3.81Å; L541-T554 VanDerWaalsContact CD2-OG1 3.29Å; L541-T554 WeakPolarHBondContact CD2-OG1 3.38Å; L541-T642 HydrophobicContact CB-CG2 4.25Å; L541-T642 HydrophobicContact CD1-CG2 4.08Å; L541-T642 HydrophobicContact CG-CG2 4.23Å; L541-T642 PolarHBondContact N-OG1 3.24Å |
| 542 | R | 83.2 | Confident | 86.6 | Confident | 161 Ų | 161 | 59.3 Ų | 59.3 | 61% | 0.608 | 31% | 0.311 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 118.1 | 169.8 | -176 | -173.7 | 179.6 | -165.6 | 0.8 | 109.3 | W544 E553 | R542-W544 HydrophobicContact CG-CE3 4.19Å; R542-W544 HydrophobicContact CG-CZ3 4.4Å; R542-W544 WeakPolarHBondContact O-CZ3 3.14Å; R542-E553 HydrophobicContact CB-CB 4.39Å; R542-E553 PolarHBondContact N-O 2.86Å; R542-E553 PolarHBondContact O-N 2.82Å |
| 543 | V | 79.7 | Confident | 86.1 | Confident | 82 Ų | 82 | 60.8 Ų | 60.8 | 50% | 0.497 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 136.3 | 178.3 | -173.4 | 0 | 0 | 0 | 0 | 109.9 | E550 Y551 T552 | V543-E550 HydrophobicContact CG1-CG 3.65Å; V543-Y551 VanDerWaalsContact CA-O 3.3Å; V543-Y551 WeakPolarHBondContact CA-O 3.37Å; V543-T552 HydrophobicContact CG2-CG2 4.15Å |
| 544 | W | 85.4 | Confident | 85.8 | Confident | 87 Ų | 87 | 58.8 Ų | 58.8 | 33% | 0.33 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 158.3 | 168.6 | 69.2 | 95.3 | 0 | 0 | 0 | 110.8 | R542 Y551 E553 V903 | R542-W544 HydrophobicContact CG-CE3 4.19Å; R542-W544 HydrophobicContact CG-CZ3 4.4Å; R542-W544 WeakPolarHBondContact O-CZ3 3.14Å; W544-Y551 VanDerWaalsContact CE2-CB 3.46Å; W544-Y551 AromaticContact CE2-CG 3.96Å; W544-Y551 HydrophobicContact CZ2-CD1 4.22Å; W544-Y551 HydrophobicContact CZ2-CG 4.13Å; W544-Y551 PolarHBondContact N-O 3.18Å; W544-Y551 AromaticContact NE1-CG 3.79Å; W544-Y551 PolarHBondContact O-N 3.06Å; W544-E553 HydrophobicContact CH2-CB 3.88Å; W544-E553 HydrophobicContact CZ3-CB 3.57Å; W544-V903 HydrophobicContact CH2-CG1 4.32Å |
| 545 | I | 78.7 | Confident | 85.6 | Confident | 103 Ų | 103 | 61.1 Ų | 61.1 | 53% | 0.528 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 136.4 | -175.7 | -59.7 | 173.7 | 0 | 0 | 0 | 109.2 | G547 | I545-G547 WeakPolarHBondContact CG2-O 3.43Å |
| 546 | V | 77.1 | Confident | 85.5 | Confident | 83 Ų | 83 | 60.9 Ų | 60.9 | 50% | 0.503 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 106.3 | 170.4 | -170.2 | 0 | 0 | 0 | 0 | 108.3 | E548 I549 Y551 | V546-E548 PolarHBondContact O-N 2.7Å; V546-I549 PolarHBondContact N-O 3.02Å; V546-I549 PolarHBondContact O-N 3.17Å; V546-Y551 HydrophobicContact CB-CD2 4.4Å; V546-Y551 HydrophobicContact CB-CE2 3.87Å; V546-Y551 HydrophobicContact CG2-CD2 4.14Å; V546-Y551 HydrophobicContact CG2-CE2 3.96Å |
| 547 | G | 82.6 | Confident | 85.4 | Confident | 69 Ų | 69 | 63.3 Ų | 63.3 | 71% | 0.711 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.3 | -128.7 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | I545 I549 | I545-G547 WeakPolarHBondContact CG2-O 3.43Å; G547-I549 VanDerWaalsContact C-N 3.29Å |
| 548 | E | 77.1 | Confident | 85.6 | Confident | 81 Ų | 81 | 59.7 Ų | 59.7 | 38% | 0.379 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | 8.9 | 176.9 | -59.2 | -172.9 | 150.1 | 0 | 0 | 113.7 | V546 R907 I908 K910 | V546-E548 PolarHBondContact O-N 2.7Å; E548-R907 WeakPolarHBondContact O-CA 3.44Å; E548-R907 IonicContact OE2-CZ 2.62Å; E548-R907 IonicContact OE2-NH1 3.84Å; E548-R907 PolarHBondContact OE2-NH1 3.08Å; E548-I908 PolarHBondContact O-N 2.88Å; E548-I908 VanDerWaalsContact O-N 3.15Å; E548-K910 WeakPolarHBondContact OE1-CE 3.45Å; E548-K910 IonicContact OE1-NZ 2.67Å; E548-K910 PolarHBondContact OE1-NZ 2.81Å |
| 549 | I | 76.7 | Confident | 85.7 | Confident | 54 Ų | 54 | 59.7 Ų | 59.7 | 28% | 0.277 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 124.4 | -175 | -54.8 | 178.1 | 0 | 0 | 0 | 110.5 | V546 G547 Y551 T905 R906 R907 | V546-I549 PolarHBondContact N-O 3.02Å; V546-I549 PolarHBondContact O-N 3.17Å; G547-I549 VanDerWaalsContact C-N 3.29Å; I549-Y551 HydrophobicContact CB-CE2 3.86Å; I549-Y551 HydrophobicContact CG2-CD2 3.99Å; I549-Y551 HydrophobicContact CG2-CE2 3.51Å; I549-T905 HydrophobicContact CG2-CG2 4.27Å; I549-R906 WeakPolarHBondContact CA-O 3.47Å; I549-R907 HydrophobicContact CG1-CG 4.34Å |
| 550 | E | 79 | Confident | 86 | Confident | 59 Ų | 59 | 60.9 Ų | 60.9 | 28% | 0.276 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 132.6 | 168.2 | -177.6 | 178.3 | 79 | 0 | 0 | 109.4 | V543 T905 R906 | V543-E550 HydrophobicContact CG1-CG 3.65Å; E550-T905 VanDerWaalsContact O-CA 3.28Å; E550-T905 WeakPolarHBondContact O-CA 3.44Å; E550-R906 PolarHBondContact N-O 2.77Å; E550-R906 PolarHBondContact O-N 3.45Å |
| 551 | Y | 87.2 | Confident | 86.5 | Confident | 70 Ų | 70 | 59.2 Ų | 59.2 | 28% | 0.275 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 130.1 | 176.7 | -68.1 | -105.6 | 0 | 0 | 0 | 108.9 | V543 W544 V546 I549 V903 T904 T905 | V543-Y551 VanDerWaalsContact CA-O 3.3Å; V543-Y551 WeakPolarHBondContact CA-O 3.37Å; W544-Y551 VanDerWaalsContact CE2-CB 3.46Å; W544-Y551 AromaticContact CE2-CG 3.96Å; W544-Y551 HydrophobicContact CZ2-CD1 4.22Å; W544-Y551 HydrophobicContact CZ2-CG 4.13Å; W544-Y551 PolarHBondContact N-O 3.18Å; W544-Y551 AromaticContact NE1-CG 3.79Å; W544-Y551 PolarHBondContact O-N 3.06Å; V546-Y551 HydrophobicContact CB-CD2 4.4Å; V546-Y551 HydrophobicContact CB-CE2 3.87Å; V546-Y551 HydrophobicContact CG2-CD2 4.14Å; V546-Y551 HydrophobicContact CG2-CE2 3.96Å; I549-Y551 HydrophobicContact CB-CE2 3.86Å; I549-Y551 HydrophobicContact CG2-CD2 3.99Å; I549-Y551 HydrophobicContact CG2-CE2 3.51Å; Y551-V903 HydrophobicContact CD1-CG1 4.11Å; Y551-T904 WeakPolarHBondContact CA-O 3.4Å; Y551-T905 HydrophobicContact CD1-CG2 3.42Å; Y551-T905 VanDerWaalsContact CD1-CG2 3.42Å; Y551-T905 HydrophobicContact CE1-CG2 3.5Å; Y551-T905 VanDerWaalsContact CE1-CG2 3.5Å; Y551-T905 HydrophobicContact CG-CG2 4.03Å |
| 552 | T | 83.8 | Confident | 87.2 | Confident | 26 Ų | 26 | 59.9 Ų | 59.9 | 16% | 0.16 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 106.6 | 174.7 | -61 | 0 | 0 | 0 | 0 | 109.8 | L541 V543 V903 T904 | L541-T552 HydrophobicContact CD2-CG2 4.12Å; V543-T552 HydrophobicContact CG2-CG2 4.15Å; T552-V903 WeakPolarHBondContact O-CA 3.18Å; T552-T904 PolarHBondContact N-O 2.89Å; T552-T904 PolarHBondContact O-N 3.3Å |
| 553 | E | 88.5 | Confident | 87.8 | Confident | 35 Ų | 35 | 52.3 Ų | 52.3 | 16% | 0.164 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 130.4 | 167.4 | 179.1 | -177.7 | -129.8 | 0 | 0 | 109.4 | L541 R542 W544 K555 F902 V903 | L541-E553 WeakPolarHBondContact CA-O 3.35Å; R542-E553 HydrophobicContact CB-CB 4.39Å; R542-E553 PolarHBondContact N-O 2.86Å; R542-E553 PolarHBondContact O-N 2.82Å; W544-E553 HydrophobicContact CH2-CB 3.88Å; W544-E553 HydrophobicContact CZ3-CB 3.57Å; E553-K555 VanDerWaalsContact CD-CE 3.48Å; E553-K555 HydrophobicContact CG-CG 4.37Å; E553-K555 WeakPolarHBondContact OE1-CE 3.33Å; E553-K555 IonicContact OE1-NZ 3.84Å; E553-K555 PolarHBondContact OE1-NZ 3.07Å; E553-K555 IonicContact OE2-NZ 2.74Å; E553-K555 PolarHBondContact OE2-NZ 3.27Å; E553-F902 WeakPolarHBondContact CA-O 3.45Å; E553-V903 HydrophobicContact CB-CG2 4.16Å; E553-V903 HydrophobicContact CG-CG2 4.36Å |
| 554 | T | 89.5 | Confident | 88.7 | Confident | 15 Ų | 15 | 53.3 Ų | 53.3 | 9% | 0.092 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 112.3 | 177.4 | -55.4 | 0 | 0 | 0 | 0 | 109.1 | T539 L541 V556 S901 F902 | T539-T554 HydrophobicContact CG2-CG2 3.44Å; T539-T554 VanDerWaalsContact CG2-CG2 3.44Å; L541-T554 HydrophobicContact CD2-CG2 3.81Å; L541-T554 VanDerWaalsContact CD2-OG1 3.29Å; L541-T554 WeakPolarHBondContact CD2-OG1 3.38Å; T554-V556 HydrophobicContact CG2-CG2 4.42Å; T554-S901 WeakPolarHBondContact O-CA 3.15Å; T554-F902 HydrophobicContact CG2-CE1 3.7Å; T554-F902 HydrophobicContact CG2-CE2 4.16Å; T554-F902 HydrophobicContact CG2-CZ 3.49Å; T554-F902 VanDerWaalsContact CG2-CZ 3.49Å; T554-F902 PolarHBondContact N-O 3.24Å; T554-F902 PolarHBondContact O-N 3.38Å |
| 555 | K | 92.1 | Very high | 89.3 | Confident | 55 Ų | 55 | 49.2 Ų | 49.2 | 24% | 0.239 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 125.1 | 174.6 | -77 | 174.8 | 176.3 | 137.7 | 0 | 110.4 | T539 S540 E553 Y557 L898 S901 | T539-K555 CarbonylContact C-O 3.55Å; T539-K555 VanDerWaalsContact CA-O 3.28Å; T539-K555 WeakPolarHBondContact CA-O 3.43Å; S540-K555 PolarHBondContact N-O 3.42Å; S540-K555 PolarHBondContact O-N 3.1Å; E553-K555 VanDerWaalsContact CD-CE 3.48Å; E553-K555 HydrophobicContact CG-CG 4.37Å; E553-K555 WeakPolarHBondContact OE1-CE 3.33Å; E553-K555 IonicContact OE1-NZ 3.84Å; E553-K555 PolarHBondContact OE1-NZ 3.07Å; E553-K555 IonicContact OE2-NZ 2.74Å; E553-K555 PolarHBondContact OE2-NZ 3.27Å; K555-Y557 HydrophobicContact CB-CD2 4.35Å; K555-Y557 HydrophobicContact CB-CE2 3.57Å; K555-L898 HydrophobicContact CB-CD1 3.8Å; K555-L898 HydrophobicContact CD-CD1 4.47Å; K555-L898 HydrophobicContact CG-CD1 4.03Å; K555-S901 WeakPolarHBondContact CG-OG 3.18Å |
| 556 | V | 93.1 | Very high | 90.1 | Very high | 28 Ų | 28 | 48 Ų | 48 | 17% | 0.17 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 124.8 | -178.7 | -174 | 0 | 0 | 0 | 0 | 109.3 | G538 T539 T554 V899 N900 F902 | G538-V556 WeakPolarHBondContact O-CA 3.5Å; T539-V556 HydrophobicContact CG2-CG2 4.44Å; T554-V556 HydrophobicContact CG2-CG2 4.42Å; V556-V899 HydrophobicContact CB-CG2 4.37Å; V556-V899 HydrophobicContact CG1-CG2 4.05Å; V556-V899 VanDerWaalsContact O-CG2 3.29Å; V556-V899 WeakPolarHBondContact O-CG2 3.35Å; V556-V899 PolarHBondContact O-N 2.99Å; V556-N900 HydrophobicContact CB-CB 4.18Å; V556-N900 HydrophobicContact CG2-CB 4.45Å; V556-N900 PolarHBondContact N-O 3.43Å; V556-N900 PolarHBondContact O-N 3.1Å; V556-F902 HydrophobicContact CG2-CE1 4.38Å |
| 557 | Y | 94.5 | Very high | 91.1 | Very high | 54 Ų | 54 | 44 Ų | 44 | 21% | 0.212 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 134.1 | -177.9 | -64.7 | -101.9 | 0 | 0 | 0 | 110.4 | K537 G538 K555 Y641 Q897 L898 | K537-Y557 CarbonylContact C-O 3.5Å; K537-Y557 VanDerWaalsContact CA-O 3.29Å; K537-Y557 WeakPolarHBondContact CA-O 3.49Å; G538-Y557 PolarHBondContact N-O 2.81Å; G538-Y557 PolarHBondContact O-N 3.21Å; K555-Y557 HydrophobicContact CB-CD2 4.35Å; K555-Y557 HydrophobicContact CB-CE2 3.57Å; Y557-Y641 HydrophobicContact CD1-CE1 4.29Å; Y557-Y641 HydrophobicContact CD2-CD1 4.08Å; Y557-Y641 AromaticContact CD2-CE1 3.51Å; Y557-Y641 HydrophobicContact CD2-CE1 3.51Å; Y557-Y641 AromaticContact CE2-CE1 4Å; Y557-Y641 HydrophobicContact CE2-CE1 4Å; Y557-Y641 AromaticContact CG-CE1 3.66Å; Y557-Y641 HydrophobicContact CG-CE1 3.66Å; Y557-Q897 CarbonylContact C-O 3.46Å; Y557-Q897 WeakPolarHBondContact CA-O 3.43Å; Y557-L898 HydrophobicContact CD1-CB 4.02Å; Y557-L898 HydrophobicContact CD1-CD1 4.25Å; Y557-L898 HydrophobicContact CD2-CD1 4.21Å; Y557-L898 HydrophobicContact CE1-CB 3.84Å; Y557-L898 HydrophobicContact CE1-CD1 3.92Å; Y557-L898 HydrophobicContact CE1-CG 4.45Å; Y557-L898 HydrophobicContact CE2-CD1 3.88Å; Y557-L898 HydrophobicContact CG-CD1 4.39Å |
| 558 | Q | 96.5 | Very high | 91.6 | Very high | 42 Ų | 42 | 47.9 Ų | 47.9 | 20% | 0.196 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 122.9 | 162.9 | -173.9 | 68.3 | 25.1 | 0 | 0 | 108 | F560 Q897 V899 | Q558-F560 HydrophobicContact CB-CE2 4.21Å; Q558-F560 HydrophobicContact CG-CD2 4.43Å; Q558-F560 HydrophobicContact CG-CE1 4.45Å; Q558-F560 HydrophobicContact CG-CE2 3.5Å; Q558-F560 HydrophobicContact CG-CZ 3.52Å; Q558-Q897 PolarHBondContact N-O 3.26Å; Q558-Q897 PolarHBondContact O-N 3.29Å; Q558-V899 HydrophobicContact CB-CG1 3.71Å; Q558-V899 HydrophobicContact CB-CG2 4.43Å |
| 559 | I | 94.8 | Very high | 92.4 | Very high | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 135.2 | -170.1 | -66.3 | -178.8 | 0 | 0 | 0 | 109 | T535 G536 R561 V638 Y641 F644 | T535-I559 CarbonylContact C-O 3.55Å; T535-I559 VanDerWaalsContact CA-O 3.27Å; T535-I559 WeakPolarHBondContact CA-O 3.29Å; G536-I559 PolarHBondContact N-O 3.19Å; G536-I559 PolarHBondContact O-N 3.03Å; I559-R561 HydrophobicContact CG2-CG 4.49Å; I559-V638 HydrophobicContact CD1-CG1 3.75Å; I559-V638 HydrophobicContact CG2-CG1 4.21Å; I559-V638 HydrophobicContact CG2-CG2 4.09Å; I559-Y641 HydrophobicContact CD1-CD1 4.42Å; I559-Y641 HydrophobicContact CD1-CD2 3.68Å; I559-Y641 HydrophobicContact CD1-CE1 4.16Å; I559-Y641 HydrophobicContact CD1-CE2 3.38Å; I559-Y641 HydrophobicContact CD1-CG 4.21Å; I559-Y641 HydrophobicContact CG1-CE2 4.43Å; I559-F644 HydrophobicContact CB-CE2 4.16Å; I559-F644 HydrophobicContact CD1-CD2 3.97Å; I559-F644 HydrophobicContact CD1-CE2 4.16Å; I559-F644 HydrophobicContact CG2-CE2 4.19Å |
| 560 | F | 96.6 | Very high | 93.2 | Very high | 53 Ų | 53 | 43.1 Ų | 43.1 | 23% | 0.232 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 127.9 | 176.7 | -55.6 | -93.2 | 0 | 0 | 0 | 109.5 | T535 Q558 Q895 Q897 | T535-F560 HydrophobicContact CG2-CD1 3.8Å; T535-F560 HydrophobicContact CG2-CE1 4.16Å; Q558-F560 HydrophobicContact CB-CE2 4.21Å; Q558-F560 HydrophobicContact CG-CD2 4.43Å; Q558-F560 HydrophobicContact CG-CE1 4.45Å; Q558-F560 HydrophobicContact CG-CE2 3.5Å; Q558-F560 HydrophobicContact CG-CZ 3.52Å; F560-Q895 HydrophobicContact CB-CB 4.31Å; F560-Q895 HydrophobicContact CD2-CB 4.46Å; F560-Q895 PolarHBondContact N-O 3.23Å; F560-Q895 PolarHBondContact O-N 2.96Å; F560-Q897 HydrophobicContact CE2-CG 4.27Å |
| 561 | R | 96.9 | Very high | 93.9 | Very high | 3 Ų | 3 | 40.8 Ų | 40.8 | 1% | 0.011 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 137.1 | 171.6 | -62.5 | -64.6 | 178.8 | -91.1 | -1.8 | 108.7 | N533 L534 I559 L634 T637 V638 E893 Q895 D896 | N533-R561 CarbonylContact C-O 3.32Å; N533-R561 VanDerWaalsContact CA-O 3.27Å; N533-R561 WeakPolarHBondContact CA-O 3.33Å; L534-R561 HydrophobicContact CB-CB 4.38Å; L534-R561 PolarHBondContact N-O 3.25Å; L534-R561 PolarHBondContact O-N 3.08Å; I559-R561 HydrophobicContact CG2-CG 4.49Å; R561-L634 HydrophobicContact CB-CD2 4.05Å; R561-T637 WeakPolarHBondContact CD-OG1 3.34Å; R561-T637 WeakPolarHBondContact CG-OG1 3.17Å; R561-T637 PolarHBondContact NE-O 3.29Å; R561-T637 PolarHBondContact NE-OG1 2.9Å; R561-V638 HydrophobicContact CG-CG2 4Å; R561-E893 WeakPolarHBondContact CA-O 3.42Å; R561-Q895 PolarHBondContact NH1-O 3.49Å; R561-D896 IonicContact CZ-OD1 2.7Å; R561-D896 IonicContact NH1-OD1 2.68Å; R561-D896 PolarHBondContact NH1-OD1 2.96Å; R561-D896 IonicContact NH2-OD1 3.74Å; R561-D896 PolarHBondContact NH2-OD1 3Å; R561-D896 IonicContact NH2-OD2 3.21Å; R561-D896 PolarHBondContact NH2-OD2 2.84Å; R561-D896 VanDerWaalsContact NH2-OD2 3.13Å |
| 562 | K | 97.7 | Very high | 94 | Very high | 97 Ų | 97 | 38.4 Ų | 38.4 | 42% | 0.422 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 141.8 | 169.9 | -168.4 | 180 | 178.5 | 179 | 0 | 108.8 | G532 N533 L891 T892 E893 | G532-K562 WeakPolarHBondContact O-CA 3.49Å; G532-K562 WeakPolarHBondContact O-CG 3.21Å; N533-K562 HydrophobicContact CB-CB 4.31Å; N533-K562 HydrophobicContact CB-CG 4.11Å; K562-L891 CarbonylContact O-C 3.52Å; K562-L891 WeakPolarHBondContact O-CA 3.33Å; K562-T892 WeakPolarHBondContact CG-OG1 3.44Å; K562-T892 PolarHBondContact O-N 2.93Å; K562-T892 PolarHBondContact O-OG1 3.08Å; K562-E893 HydrophobicContact CB-CB 3.56Å; K562-E893 PolarHBondContact N-O 3Å; K562-E893 PolarHBondContact O-N 2.67Å |
| 563 | G | 97 | Very high | 94.2 | Very high | 2 Ų | 2 | 37.7 Ų | 37.7 | 2% | 0.021 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -167.6 | 173.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | G532 D890 | G532-G563 PolarHBondContact N-O 2.82Å; G532-G563 PolarHBondContact O-N 3.02Å; G563-D890 CarbonylContact C-O 3.5Å; G563-D890 WeakPolarHBondContact CA-O 3.28Å |
| 564 | K | 97.8 | Very high | 94.2 | Very high | 103 Ų | 103 | 36 Ų | 36 | 45% | 0.448 | 16% | 0.158 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 128.6 | 170.8 | -66.7 | -169.4 | 171.6 | -159.2 | 0 | 109.2 | T530 A531 L889 D890 | T530-K564 CarbonylContact O-C 3.54Å; T530-K564 WeakPolarHBondContact O-CA 3.5Å; A531-K564 HydrophobicContact CB-CG 4.37Å; K564-L889 WeakPolarHBondContact O-CA 3.28Å; K564-D890 PolarHBondContact N-O 3.14Å; K564-D890 PolarHBondContact O-N 3.16Å |
| 565 | A | 97.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 127.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | T530 T630 L633 H888 L889 | T530-A565 PolarHBondContact N-O 3.18Å; T530-A565 PolarHBondContact O-N 3.2Å; T530-A565 PolarHBondContact OG1-O 3.44Å; A565-T630 HydrophobicContact CB-CG2 4.11Å; A565-T630 WeakPolarHBondContact CB-OG1 3.35Å; A565-L633 HydrophobicContact CB-CD1 4.15Å; A565-H888 CarbonylContact C-O 3.44Å; A565-H888 VanDerWaalsContact CA-O 3.24Å; A565-H888 WeakPolarHBondContact CA-O 3.41Å; A565-L889 HydrophobicContact CB-CD1 4.04Å |
| 566 | K | 97.3 | Very high | 92.7 | Very high | 77 Ų | 77 | 39.9 Ų | 39.9 | 34% | 0.335 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 117 | 167.9 | -54.6 | -161.1 | -179.3 | -145.9 | 0 | 107.9 | A528 E529 A887 H888 | A528-K566 CarbonylContact O-C 3.52Å; A528-K566 WeakPolarHBondContact O-CA 3.19Å; E529-K566 VanDerWaalsContact CD-CE 3.47Å; E529-K566 HydrophobicContact CG-CD 4.24Å; E529-K566 HydrophobicContact CG-CG 4.06Å; E529-K566 WeakPolarHBondContact OE1-CE 3.43Å; E529-K566 IonicContact OE1-NZ 3.52Å; E529-K566 PolarHBondContact OE1-NZ 2.58Å; E529-K566 VanDerWaalsContact OE2-CE 3.31Å; E529-K566 WeakPolarHBondContact OE2-CE 3.41Å; E529-K566 IonicContact OE2-NZ 3.8Å; E529-K566 PolarHBondContact OE2-NZ 3.24Å; E529-K566 VanDerWaalsContact OE2-NZ 3.15Å; K566-A887 CarbonylContact O-C 3.59Å; K566-A887 WeakPolarHBondContact O-CA 3.3Å; K566-A887 WeakPolarHBondContact O-CB 3.31Å; K566-H888 PolarHBondContact N-O 2.75Å; K566-H888 PolarHBondContact O-N 3.38Å |
| 567 | I | 96.7 | Very high | 90.9 | Very high | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 127.4 | -177 | -60.7 | 175.9 | 0 | 0 | 0 | 107.1 | A528 L626 Y881 A887 | A528-I567 PolarHBondContact N-O 2.83Å; A528-I567 PolarHBondContact O-N 2.91Å; I567-L626 HydrophobicContact CB-CD2 3.96Å; I567-L626 HydrophobicContact CD1-CB 4.46Å; I567-L626 HydrophobicContact CD1-CD2 3.67Å; I567-L626 HydrophobicContact CG1-CD2 4.38Å; I567-L626 HydrophobicContact CG2-CD2 3.8Å; I567-Y881 HydrophobicContact CG2-CE1 3.84Å; I567-Y881 WeakPolarHBondContact CG2-OH 3.28Å; I567-A887 HydrophobicContact CB-CB 4.35Å; I567-A887 HydrophobicContact CG1-CB 3.84Å |
| 568 | R | 94.6 | Very high | 88.8 | Confident | 149 Ų | 149 | 44.4 Ų | 44.4 | 56% | 0.562 | 20% | 0.197 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 146.6 | -173.6 | -69.7 | -175.6 | 178.6 | 158.7 | -1.7 | 114.8 | D527 L570 Y881 N886 | D527-R568 WeakPolarHBondContact OD1-CA 3.39Å; D527-R568 WeakPolarHBondContact OD1-CB 3.43Å; R568-L570 VanDerWaalsContact C-N 3.29Å; R568-L570 PolarHBondContact O-N 2.99Å; R568-Y881 PolarHBondContact N-OH 3.31Å; R568-Y881 VanDerWaalsContact O-CE2 3.27Å; R568-Y881 WeakPolarHBondContact O-CE2 3.35Å; R568-Y881 PolarHBondContact O-OH 3.08Å; R568-N886 PolarHBondContact N-O 3.13Å |
| 569 | H | 92.8 | Very high | 86.5 | Confident | 33 Ų | 33 | 47.8 Ų | 47.8 | 15% | 0.153 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 61.3 | 33.6 | 171.9 | -45.5 | 152.9 | 0 | 0 | 0 | 113.5 | V526 D527 T571 I592 D593 | V526-H569 PolarHBondContact O-N 3.42Å; D527-H569 IonicContact OD1-CD2 3.86Å; D527-H569 PolarHBondContact OD1-CD2 2.88Å; D527-H569 PolarHBondContact OD1-N 3.26Å; H569-T571 PolarHBondContact O-N 2.8Å; H569-T571 PolarHBondContact O-OG1 2.92Å; H569-I592 HydrophobicContact CB-CB 4.03Å; H569-I592 HydrophobicContact CB-CG1 4.01Å; H569-I592 HydrophobicContact CB-CG2 4.2Å; H569-D593 VanDerWaalsContact CE1-CG 3.48Å; H569-D593 IonicContact CE1-OD1 2.62Å; H569-D593 PolarHBondContact CE1-OD1 3.04Å; H569-D593 VanDerWaalsContact CE1-OD1 3.29Å; H569-D593 IonicContact CE1-OD2 3.27Å; H569-D593 PolarHBondContact CE1-OD2 2.74Å; H569-D593 VanDerWaalsContact CE1-OD2 3.26Å; H569-D593 IonicContact ND1-OD2 2.6Å; H569-D593 IonicContact NE2-OD1 3.42Å |
| 570 | L | 94.1 | Very high | 84.3 | Confident | 2 Ų | 2 | 53.4 Ų | 53.4 | 1% | 0.01 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 105 | 173.4 | 177.6 | 58.9 | 0 | 0 | 0 | 108.7 | V526 R568 K572 I622 E625 L626 Y629 Y881 | V526-L570 HydrophobicContact CB-CB 4.26Å; V526-L570 PolarHBondContact N-O 2.77Å; V526-L570 PolarHBondContact O-N 2.87Å; R568-L570 VanDerWaalsContact C-N 3.29Å; R568-L570 PolarHBondContact O-N 2.99Å; L570-K572 HydrophobicContact CD1-CD 4.45Å; L570-K572 HydrophobicContact CG-CD 4.33Å; L570-I622 HydrophobicContact CD2-CG2 4.41Å; L570-E625 HydrophobicContact CD2-CB 4.43Å; L570-L626 HydrophobicContact CD2-CD2 3.87Å; L570-L626 HydrophobicContact CD2-CG 4.17Å; L570-Y629 HydrophobicContact CD1-CE2 4.04Å; L570-Y629 HydrophobicContact CD2-CE2 4.46Å; L570-Y881 HydrophobicContact CB-CE2 4.34Å; L570-Y881 HydrophobicContact CD1-CD1 4.03Å; L570-Y881 HydrophobicContact CD1-CD2 4.05Å; L570-Y881 HydrophobicContact CD1-CE1 4.43Å; L570-Y881 HydrophobicContact CD1-CE2 4.47Å; L570-Y881 HydrophobicContact CD1-CG 3.82Å |
| 571 | T | 92.3 | Very high | 82.1 | Confident | 10 Ų | 10 | 55.7 Ų | 55.7 | 6% | 0.061 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 116.7 | -164.8 | -59.2 | 0 | 0 | 0 | 0 | 111.4 | Y523 W524 V525 H569 Q588 L663 | Y523-T571 HydrophobicContact CD1-CG2 3.59Å; Y523-T571 HydrophobicContact CE1-CG2 4.25Å; Y523-T571 HydrophobicContact CG-CG2 4.11Å; W524-T571 CarbonylContact O-C 3.49Å; W524-T571 WeakPolarHBondContact O-CA 3.47Å; V525-T571 HydrophobicContact CG2-CG2 4.37Å; H569-T571 PolarHBondContact O-N 2.8Å; H569-T571 PolarHBondContact O-OG1 2.92Å; T571-Q588 PolarHBondContact O-NE2 3.42Å; T571-L663 HydrophobicContact CG2-CD1 3.82Å |
| 572 | K | 90.9 | Very high | 80.4 | Confident | 21 Ų | 21 | 62 Ų | 62 | 9% | 0.091 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 135.2 | -177.3 | -47.3 | -60.5 | -70 | 178.2 | 0 | 110.4 | Y523 W524 L570 L618 I622 E625 | Y523-K572 CarbonylContact C-O 3.55Å; Y523-K572 VanDerWaalsContact CA-O 3.23Å; Y523-K572 WeakPolarHBondContact CA-O 3.49Å; Y523-K572 WeakPolarHBondContact CB-O 3.15Å; Y523-K572 WeakPolarHBondContact CD1-O 3.43Å; W524-K572 HydrophobicContact CB-CB 4.41Å; W524-K572 PolarHBondContact N-O 2.86Å; W524-K572 PolarHBondContact O-N 2.88Å; L570-K572 HydrophobicContact CD1-CD 4.45Å; L570-K572 HydrophobicContact CG-CD 4.33Å; K572-L618 HydrophobicContact CB-CD1 3.94Å; K572-I622 HydrophobicContact CD-CG1 4.44Å; K572-I622 HydrophobicContact CG-CD1 4.31Å; K572-I622 HydrophobicContact CG-CG1 4.05Å; K572-E625 IonicContact NZ-OE1 3.64Å; K572-E625 PolarHBondContact NZ-OE1 3.26Å; K572-E625 IonicContact NZ-OE2 3.95Å; K572-E625 PolarHBondContact NZ-OE2 2.8Å |
| 573 | N | 87.7 | Confident | 78.6 | Confident | 11 Ų | 11 | 58.7 Ų | 58.7 | 6% | 0.059 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 135.4 | 175.5 | 174.1 | 25.2 | 0 | 0 | 0 | 110.3 | Y523 L575 V584 | Y523-N573 HydrophobicContact CD1-CB 4.26Å; Y523-N573 HydrophobicContact CE1-CB 4.13Å; N573-L575 PolarHBondContact ND2-O 3.5Å; N573-L575 PolarHBondContact OD1-N 3.14Å; N573-V584 HydrophobicContact CB-CG1 4.07Å |
| 574 | A | 88.5 | Confident | 77 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 27% | 0.269 | C | S | . | . | trans | -102.9 | 20.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | P522 W524 R611 D612 I613 | P522-A574 HydrophobicContact CB-CB 4.2Å; P522-A574 HydrophobicContact CG-CB 4.38Å; P522-A574 WeakPolarHBondContact O-CB 3.28Å; P522-A574 PolarHBondContact O-N 3.08Å; W524-A574 HydrophobicContact CG-CB 4.48Å; A574-R611 HydrophobicContact CB-CB 3.82Å; A574-R611 WeakPolarHBondContact O-CA 3.43Å; A574-D612 PolarHBondContact O-N 3.2Å; A574-I613 PolarHBondContact O-N 2.96Å | ||
| 575 | L | 79.4 | Confident | 75.5 | Confident | 3 Ų | 3 | 56.5 Ų | 56.5 | 2% | 0.016 | 26% | 0.259 | C | S | . | . | trans | -114.2 | 123.6 | 171.3 | -65.5 | -179.3 | 0 | 0 | 0 | 113.5 | F521 P522 N573 N578 E609 K610 D612 | F521-L575 HydrophobicContact CD1-CD1 3.74Å; F521-L575 HydrophobicContact CE1-CD1 3.96Å; P522-L575 HydrophobicContact CG-CD1 4.08Å; P522-L575 HydrophobicContact CG-CD2 3.65Å; P522-L575 HydrophobicContact CG-CG 3.55Å; N573-L575 PolarHBondContact ND2-O 3.5Å; N573-L575 PolarHBondContact OD1-N 3.14Å; L575-N578 HydrophobicContact CB-CB 4.35Å; L575-N578 WeakPolarHBondContact CD1-ND2 3.42Å; L575-E609 HydrophobicContact CD1-CB 3.71Å; L575-E609 HydrophobicContact CD1-CG 3.97Å; L575-E609 HydrophobicContact CD2-CB 4.41Å; L575-K610 WeakPolarHBondContact CD2-O 3.28Å; L575-D612 WeakPolarHBondContact CA-OD1 3.48Å | ||
| 576 | Q | 70.3 | Confident | 74.3 | Confident | 147 Ų | 147 | 58.6 Ų | 58.6 | 69% | 0.687 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -80.8 | -46.7 | 170.8 | -170.5 | -178 | 18.6 | 0 | 0 | 110.7 | N578 D612 I613 | Q576-N578 VanDerWaalsContact C-N 3.29Å; Q576-N578 PolarHBondContact O-N 3.31Å; Q576-D612 VanDerWaalsContact N-CG 3.35Å; Q576-D612 PolarHBondContact N-OD1 2.85Å; Q576-D612 PolarHBondContact N-OD2 2.92Å; Q576-I613 HydrophobicContact CB-CD1 3.92Å; Q576-I613 HydrophobicContact CB-CG1 3.83Å |
| 577 | K | 55.5 | Low | 73.4 | Confident | 133 Ų | 133 | 55.3 Ų | 55.3 | 58% | 0.578 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -86 | 19 | -164 | -141.7 | 178.5 | -173 | 179.1 | 0 | 115.5 | D433 D612 | D433-K577 IonicContact OD1-NZ 2.99Å; D433-K577 PolarHBondContact OD1-NZ 2.89Å; D433-K577 IonicContact OD2-NZ 3.39Å; D433-K577 PolarHBondContact OD2-NZ 2.94Å; K577-D612 PolarHBondContact N-OD2 2.75Å |
| 578 | N | 50 | Low | 72.8 | Confident | 44 Ų | 44 | 56.2 Ų | 56.2 | 24% | 0.235 | 27% | 0.271 | C | S | . | . | trans | -95.3 | 130.9 | -174.5 | -124.5 | -61.2 | 0 | 0 | 0 | 113.8 | F521 L575 Q576 Q580 Q581 | F521-N578 WeakPolarHBondContact CE1-ND2 3.42Å; L575-N578 HydrophobicContact CB-CB 4.35Å; L575-N578 WeakPolarHBondContact CD1-ND2 3.42Å; Q576-N578 VanDerWaalsContact C-N 3.29Å; Q576-N578 PolarHBondContact O-N 3.31Å; N578-Q580 PolarHBondContact O-N 2.97Å; N578-Q581 PolarHBondContact O-N 3.27Å | ||
| 579 | L | 48 | Very low | 72.5 | Confident | 114 Ų | 114 | 52.1 Ų | 52.1 | 60% | 0.597 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -15.3 | -157.3 | -103.2 | 95 | 0 | 0 | 0 | 116.9 | Y679 | L579-Y679 HydrophobicContact CB-CE2 4.17Å; L579-Y679 HydrophobicContact CD2-CE2 3.79Å |
| 580 | Q | 49.9 | Very low | 72.3 | Confident | 118 Ų | 118 | 51.2 Ų | 51.2 | 55% | 0.551 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -146.4 | 87.1 | 168.4 | -63.4 | -71.3 | -74.8 | 0 | 0 | 108.9 | N578 K582 M583 | N578-Q580 PolarHBondContact O-N 2.97Å; Q580-K582 PolarHBondContact O-N 2.84Å; Q580-M583 HydrophobicContact CB-CB 4.08Å; Q580-M583 HydrophobicContact CB-CG 3.68Å; Q580-M583 HydrophobicContact CB-SD 3.76Å; Q580-M583 HydrophobicContact CG-CG 4.32Å; Q580-M583 HydrophobicContact CG-SD 3.87Å; Q580-M583 WeakPolarHBondContact O-CB 3.24Å; Q580-M583 PolarHBondContact O-N 3.08Å |
| 581 | Q | 50 | Low | 72.1 | Confident | 102 Ų | 102 | 52.7 Ų | 52.7 | 48% | 0.477 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -45.8 | -40 | 177.2 | -163.6 | 178.5 | 22.6 | 0 | 0 | 112.9 | N578 M583 V584 E585 | N578-Q581 PolarHBondContact O-N 3.27Å; Q581-M583 VanDerWaalsContact C-N 3.26Å; Q581-M583 PolarHBondContact O-N 2.91Å; Q581-V584 PolarHBondContact O-N 3.34Å; Q581-E585 PolarHBondContact O-N 2.76Å; Q581-E585 VanDerWaalsContact O-N 3.16Å |
| 582 | K | 60 | Low | 72.1 | Confident | 136 Ų | 136 | 52.8 Ų | 52.8 | 59% | 0.591 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -60.3 | -24.2 | 176.2 | -62.8 | -178.8 | -179.8 | 178.9 | 0 | 115.3 | Q580 G586 T878 | Q580-K582 PolarHBondContact O-N 2.84Å; K582-G586 PolarHBondContact O-N 3.31Å; K582-T878 HydrophobicContact CB-CG2 4.32Å; K582-T878 HydrophobicContact CG-CG2 4.26Å |
| 583 | M | 61.4 | Low | 72 | Confident | 26 Ų | 26 | 58.2 Ų | 58.2 | 13% | 0.128 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -77 | -40.8 | 176 | -76.1 | -177 | 47.1 | 0 | 0 | 112 | Q580 Q581 E585 G586 V587 Y679 A681 L874 | Q580-M583 HydrophobicContact CB-CB 4.08Å; Q580-M583 HydrophobicContact CB-CG 3.68Å; Q580-M583 HydrophobicContact CB-SD 3.76Å; Q580-M583 HydrophobicContact CG-CG 4.32Å; Q580-M583 HydrophobicContact CG-SD 3.87Å; Q580-M583 WeakPolarHBondContact O-CB 3.24Å; Q580-M583 PolarHBondContact O-N 3.08Å; Q581-M583 VanDerWaalsContact C-N 3.26Å; Q581-M583 PolarHBondContact O-N 2.91Å; M583-E585 VanDerWaalsContact C-N 3.27Å; M583-E585 PolarHBondContact O-N 2.89Å; M583-G586 PolarHBondContact O-N 3.31Å; M583-G586 VanDerWaalsContact O-N 3.08Å; M583-V587 PolarHBondContact O-N 2.82Å; M583-Y679 VanDerWaalsContact CE-C 3.43Å; M583-Y679 VanDerWaalsContact CE-CB 3.5Å; M583-Y679 WeakPolarHBondContact CE-O 3.39Å; M583-Y679 VanDerWaalsContact SD-O 3.42Å; M583-A681 HydrophobicContact CB-CB 4.48Å; M583-A681 HydrophobicContact CE-CB 3.53Å; M583-L874 HydrophobicContact CG-CD1 4.21Å; M583-L874 HydrophobicContact SD-CD1 4.11Å |
| 584 | V | 62.2 | Low | 72.2 | Confident | 9 Ų | 9 | 62.4 Ų | 62.4 | 6% | 0.055 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -67.4 | -33 | 177.4 | -173.4 | 0 | 0 | 0 | 0 | 110 | F521 Y523 N573 Q581 V587 | F521-V584 HydrophobicContact CD1-CG1 3.81Å; F521-V584 HydrophobicContact CD1-CG2 4.1Å; F521-V584 HydrophobicContact CE1-CG1 4.27Å; F521-V584 HydrophobicContact CE1-CG2 3.7Å; F521-V584 HydrophobicContact CG-CG1 4.43Å; F521-V584 HydrophobicContact CZ-CG2 4.41Å; Y523-V584 HydrophobicContact CE1-CG1 4.14Å; Y523-V584 HydrophobicContact CE2-CG1 4.41Å; Y523-V584 WeakPolarHBondContact OH-CG1 3.35Å; Y523-V584 PolarHBondContact OH-O 2.75Å; N573-V584 HydrophobicContact CB-CG1 4.07Å; Q581-V584 PolarHBondContact O-N 3.34Å; V584-V587 WeakPolarHBondContact O-CG2 3.38Å |
| 585 | E | 66.8 | Low | 72.5 | Confident | 51 Ų | 51 | 63.2 Ų | 63.2 | 24% | 0.238 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -70.9 | -38.7 | 167.1 | -65.5 | 171.6 | 168.4 | 0 | 0 | 112.7 | Q581 M583 V587 Q588 T878 Y879 | Q581-E585 PolarHBondContact O-N 2.76Å; Q581-E585 VanDerWaalsContact O-N 3.16Å; M583-E585 VanDerWaalsContact C-N 3.27Å; M583-E585 PolarHBondContact O-N 2.89Å; E585-V587 VanDerWaalsContact C-N 3.26Å; E585-V587 PolarHBondContact O-N 3.3Å; E585-Q588 PolarHBondContact O-N 3.43Å; E585-T878 HydrophobicContact CB-CG2 4.32Å; E585-T878 WeakPolarHBondContact OE2-CG2 3.46Å; E585-Y879 WeakPolarHBondContact O-CB 3.27Å |
| 586 | G | 72.5 | Confident | 73.2 | Confident | 43 Ų | 43 | 65.6 Ų | 65.6 | 44% | 0.443 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -70.1 | -11.3 | -175.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | K582 M583 | K582-G586 PolarHBondContact O-N 3.31Å; M583-G586 PolarHBondContact O-N 3.31Å; M583-G586 VanDerWaalsContact O-N 3.08Å |
| 587 | V | 78.4 | Confident | 74.3 | Confident | 9 Ų | 9 | 63.2 Ų | 63.2 | 6% | 0.055 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -13.2 | 174.1 | -70.2 | 0 | 0 | 0 | 0 | 113.8 | M583 V584 E585 F590 V665 A681 N683 | M583-V587 PolarHBondContact O-N 2.82Å; V584-V587 WeakPolarHBondContact O-CG2 3.38Å; E585-V587 VanDerWaalsContact C-N 3.26Å; E585-V587 PolarHBondContact O-N 3.3Å; V587-F590 HydrophobicContact CB-CZ 4.33Å; V587-F590 HydrophobicContact CG2-CE2 4.07Å; V587-F590 HydrophobicContact CG2-CZ 3.7Å; V587-V665 HydrophobicContact CG1-CG1 4.36Å; V587-V665 HydrophobicContact CG2-CG2 4.2Å; V587-A681 HydrophobicContact CG1-CB 3.64Å; V587-N683 HydrophobicContact CB-CB 4.28Å; V587-N683 VanDerWaalsContact O-CB 3.28Å; V587-N683 WeakPolarHBondContact O-CB 3.38Å; V587-N683 PolarHBondContact O-ND2 2.95Å |
| 588 | Q | 84.3 | Confident | 76 | Confident | 20 Ų | 20 | 58 Ų | 58 | 9% | 0.093 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -66.8 | 156.7 | 176.5 | -66.6 | -165.3 | 45.5 | 0 | 0 | 112.4 | T571 E585 F590 Y879 | T571-Q588 PolarHBondContact O-NE2 3.42Å; E585-Q588 PolarHBondContact O-N 3.43Å; Q588-F590 HydrophobicContact CG-CD2 3.87Å; Q588-F590 HydrophobicContact CG-CE2 3.85Å; Q588-Y879 HydrophobicContact CB-CD1 3.3Å; Q588-Y879 HydrophobicContact CB-CD2 3.85Å; Q588-Y879 HydrophobicContact CB-CE1 3.7Å; Q588-Y879 HydrophobicContact CB-CE2 4.23Å; Q588-Y879 HydrophobicContact CB-CG 3.34Å; Q588-Y879 HydrophobicContact CG-CD1 4.08Å; Q588-Y879 HydrophobicContact CG-CE1 4.4Å; Q588-Y879 HydrophobicContact CG-CG 4.5Å; Q588-Y879 WeakPolarHBondContact O-CD2 3.42Å; Q588-Y879 VanDerWaalsContact OE1-CD1 3.31Å |
| 589 | P | 86.7 | Confident | 77.6 | Confident | 63 Ų | 63 | 61 Ų | 61 | 41% | 0.409 | 32% | 0.321 | S | S | . | . | P | Polyproline II helix | cis | -82.1 | 145.3 | 8.6 | 30.9 | -34 | 0 | 0 | 0 | 114.5 | N683 Y879 | P589-N683 PolarHBondContact O-ND2 2.84Å; P589-Y879 HydrophobicContact CB-CD2 4.49Å; P589-Y879 HydrophobicContact CB-CE2 3.6Å; P589-Y879 HydrophobicContact CG-CE2 4.01Å |
| 590 | F | 88.8 | Confident | 78.9 | Confident | 14 Ų | 14 | 58.8 Ų | 58.8 | 6% | 0.061 | 31% | 0.312 | C | S | . | . | P | Polyproline II helix | trans | -96.3 | 142.5 | 163.5 | -65.6 | -78.1 | 0 | 0 | 0 | 110.4 | L480 Y523 V587 Q588 I592 L663 P664 V665 N683 | L480-F590 HydrophobicContact CD2-CB 3.84Å; L480-F590 HydrophobicContact CD2-CD1 4.06Å; L480-F590 HydrophobicContact CD2-CG 4.34Å; Y523-F590 HydrophobicContact CE1-CE2 4.37Å; Y523-F590 HydrophobicContact CE2-CE2 4.3Å; Y523-F590 AromaticContact CZ-CE2 3.86Å; V587-F590 HydrophobicContact CB-CZ 4.33Å; V587-F590 HydrophobicContact CG2-CE2 4.07Å; V587-F590 HydrophobicContact CG2-CZ 3.7Å; Q588-F590 HydrophobicContact CG-CD2 3.87Å; Q588-F590 HydrophobicContact CG-CE2 3.85Å; F590-I592 VanDerWaalsContact C-N 3.29Å; F590-I592 HydrophobicContact CB-CD1 3.81Å; F590-I592 PolarHBondContact O-N 3.01Å; F590-L663 HydrophobicContact CB-CD1 4.22Å; F590-L663 HydrophobicContact CD1-CB 4.34Å; F590-L663 HydrophobicContact CD2-CB 4.34Å; F590-L663 HydrophobicContact CD2-CD1 3.49Å; F590-L663 VanDerWaalsContact CD2-CD1 3.49Å; F590-L663 HydrophobicContact CE1-CB 4.27Å; F590-L663 HydrophobicContact CE2-CB 4.27Å; F590-L663 HydrophobicContact CE2-CD1 3.96Å; F590-L663 HydrophobicContact CG-CB 4.38Å; F590-L663 HydrophobicContact CG-CD1 3.89Å; F590-L663 HydrophobicContact CZ-CB 4.23Å; F590-P664 WeakPolarHBondContact CE1-O 3.45Å; F590-V665 HydrophobicContact CZ-CG2 4.11Å; F590-N683 HydrophobicContact CE1-CB 4.41Å |
| 591 | P | 90.5 | Very high | 80.2 | Confident | 32 Ų | 32 | 59.6 Ų | 59.6 | 21% | 0.208 | 32% | 0.316 | C | S | . | . | trans | -75.2 | 79.3 | 172.1 | 31.6 | -35.7 | 0 | 0 | 0 | 110.7 | L480 D593 Q594 Q685 | L480-P591 HydrophobicContact CD1-CG 4.42Å; L480-P591 HydrophobicContact CD2-CG 4.16Å; P591-D593 PolarHBondContact O-N 2.69Å; P591-Q594 HydrophobicContact CB-CB 4.48Å; P591-Q594 HydrophobicContact CB-CG 4.37Å; P591-Q594 WeakPolarHBondContact O-CB 3.21Å; P591-Q594 PolarHBondContact O-N 2.68Å; P591-Q685 HydrophobicContact CG-CB 4.45Å; P591-Q685 HydrophobicContact CG-CG 3.95Å | ||
| 592 | I | 92.2 | Very high | 81.9 | Confident | 13 Ų | 13 | 58.8 Ų | 58.8 | 7% | 0.067 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -58.1 | -33.2 | -175.7 | -60.1 | -52.3 | 0 | 0 | 0 | 112.7 | V525 H569 F590 Q594 A595 M661 L663 | V525-I592 HydrophobicContact CG1-CG2 3.82Å; V525-I592 HydrophobicContact CG2-CD1 4.14Å; H569-I592 HydrophobicContact CB-CB 4.03Å; H569-I592 HydrophobicContact CB-CG1 4.01Å; H569-I592 HydrophobicContact CB-CG2 4.2Å; F590-I592 VanDerWaalsContact C-N 3.29Å; F590-I592 HydrophobicContact CB-CD1 3.81Å; F590-I592 PolarHBondContact O-N 3.01Å; I592-Q594 PolarHBondContact O-N 2.8Å; I592-A595 VanDerWaalsContact O-CB 3.25Å; I592-A595 WeakPolarHBondContact O-CB 3.32Å; I592-A595 PolarHBondContact O-N 2.75Å; I592-M661 HydrophobicContact CG2-CE 4.3Å; I592-M661 HydrophobicContact CG2-SD 4.29Å; I592-L663 HydrophobicContact CD1-CD1 4Å; I592-L663 HydrophobicContact CD1-CD2 4Å |
| 593 | D | 89.8 | Confident | 83 | Confident | 135 Ų | 135 | 52.3 Ų | 52.3 | 72% | 0.722 | 28% | 0.281 | S | S | * | . | G | 310 helix | trans | -59 | -14 | 173.3 | -57.5 | -91.7 | 0 | 0 | 0 | 114.7 | H569 P591 | H569-D593 VanDerWaalsContact CE1-CG 3.48Å; H569-D593 IonicContact CE1-OD1 2.62Å; H569-D593 PolarHBondContact CE1-OD1 3.04Å; H569-D593 VanDerWaalsContact CE1-OD1 3.29Å; H569-D593 IonicContact CE1-OD2 3.27Å; H569-D593 PolarHBondContact CE1-OD2 2.74Å; H569-D593 VanDerWaalsContact CE1-OD2 3.26Å; H569-D593 IonicContact ND1-OD2 2.6Å; H569-D593 IonicContact NE2-OD1 3.42Å; P591-D593 PolarHBondContact O-N 2.69Å |
| 594 | Q | 92.2 | Very high | 83.8 | Confident | 98 Ų | 98 | 55 Ų | 55 | 46% | 0.458 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | -97.1 | 5.4 | 176.2 | -68.4 | 169.1 | 56 | 0 | 0 | 112.8 | L480 P591 I592 | L480-Q594 HydrophobicContact CD1-CB 3.78Å; P591-Q594 HydrophobicContact CB-CB 4.48Å; P591-Q594 HydrophobicContact CB-CG 4.37Å; P591-Q594 WeakPolarHBondContact O-CB 3.21Å; P591-Q594 PolarHBondContact O-N 2.68Å; I592-Q594 PolarHBondContact O-N 2.8Å |
| 595 | A | 94.2 | Very high | 84.4 | Confident | 17 Ų | 17 | 56.4 Ų | 56.4 | 14% | 0.14 | 32% | 0.318 | C | S | . | . | trans | -75.4 | 135.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | K478 V479 L480 I592 M661 | K478-A595 HydrophobicContact CB-CB 4.33Å; K478-A595 HydrophobicContact CD-CB 4.33Å; V479-A595 WeakPolarHBondContact O-CA 3.39Å; L480-A595 HydrophobicContact CB-CB 4.35Å; I592-A595 VanDerWaalsContact O-CB 3.25Å; I592-A595 WeakPolarHBondContact O-CB 3.32Å; I592-A595 PolarHBondContact O-N 2.75Å; A595-M661 HydrophobicContact CB-SD 4.01Å | ||
| 596 | V | 93.6 | Very high | 85.2 | Confident | 53 Ų | 53 | 55.9 Ų | 55.9 | 32% | 0.321 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 164.4 | -178.4 | -63 | 0 | 0 | 0 | 0 | 110.4 | K478 V479 P481 Y602 | K478-V596 CarbonylContact C-O 3.46Å; K478-V596 WeakPolarHBondContact CA-O 3.49Å; K478-V596 WeakPolarHBondContact CB-O 3.27Å; K478-V596 WeakPolarHBondContact CG-O 3.03Å; V479-V596 HydrophobicContact CG1-CG2 4Å; V479-V596 PolarHBondContact N-O 3.31Å; V479-V596 WeakPolarHBondContact O-CG2 3.49Å; V479-V596 PolarHBondContact O-N 2.9Å; P481-V596 HydrophobicContact CG-CG2 3.93Å; V596-Y602 HydrophobicContact CG2-CE1 4.3Å; V596-Y602 HydrophobicContact CG2-CE2 3.89Å; V596-Y602 WeakPolarHBondContact CG2-OH 3.21Å |
| 597 | D | 93.9 | Very high | 85.8 | Confident | 98 Ų | 98 | 56.7 Ų | 56.7 | 52% | 0.524 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 141.8 | 176.9 | -60.8 | -35.1 | 0 | 0 | 0 | 111.1 | K478 H599 | K478-D597 IonicContact NZ-OD1 3.55Å; K478-D597 PolarHBondContact NZ-OD1 2.84Å; D597-H599 PolarHBondContact O-N 3Å |
| 598 | F | 90 | Very high | 86.1 | Confident | 22 Ų | 22 | 56.4 Ų | 56.4 | 10% | 0.096 | 31% | 0.306 | C | S | . | . | trans | -72 | 130.2 | -173.4 | 176.5 | -103.7 | 0 | 0 | 0 | 112.1 | L475 P476 N477 V479 T600 L603 L662 | L475-F598 HydrophobicContact CD1-CD1 3.67Å; L475-F598 HydrophobicContact CD1-CE1 3.59Å; L475-F598 HydrophobicContact CG-CD1 4.23Å; P476-F598 HydrophobicContact CB-CB 4.09Å; P476-F598 HydrophobicContact CB-CD1 4.32Å; P476-F598 HydrophobicContact CB-CD2 4.1Å; P476-F598 HydrophobicContact CB-CG 3.88Å; P476-F598 HydrophobicContact CG-CD1 4.17Å; P476-F598 HydrophobicContact CG-CD2 4.04Å; P476-F598 HydrophobicContact CG-CE1 4.28Å; P476-F598 HydrophobicContact CG-CE2 4.15Å; P476-F598 HydrophobicContact CG-CG 4.04Å; P476-F598 HydrophobicContact CG-CZ 4.27Å; P476-F598 VanDerWaalsContact O-CB 3.28Å; P476-F598 WeakPolarHBondContact O-CB 3.43Å; N477-F598 PolarHBondContact O-N 2.97Å; V479-F598 HydrophobicContact CB-CD2 4.12Å; V479-F598 HydrophobicContact CG1-CD2 4.2Å; F598-T600 HydrophobicContact CE1-CG2 4.09Å; F598-T600 HydrophobicContact CZ-CG2 4.22Å; F598-L603 HydrophobicContact CE2-CD1 4.27Å; F598-L603 HydrophobicContact CE2-CD2 4.04Å; F598-L603 HydrophobicContact CE2-CG 4.08Å; F598-L603 HydrophobicContact CZ-CD1 4Å; F598-L603 HydrophobicContact CZ-CG 4.22Å; F598-L662 HydrophobicContact CD2-CD1 4.34Å; F598-L662 HydrophobicContact CE2-CD1 3.89Å | ||
| 599 | H | 83.7 | Confident | 86.1 | Confident | 108 Ų | 108 | 56.9 Ų | 56.9 | 50% | 0.5 | 31% | 0.308 | S | S | . | . | trans | -132.8 | 141.1 | 170.9 | -77.2 | -81.4 | 0 | 0 | 0 | 108.1 | D597 E601 Y602 | D597-H599 PolarHBondContact O-N 3Å; H599-E601 WeakPolarHBondContact CB-OE2 3.47Å; H599-E601 PolarHBondContact O-N 2.82Å; H599-Y602 HydrophobicContact CB-CD2 3.91Å; H599-Y602 HydrophobicContact CB-CE2 4Å; H599-Y602 WeakPolarHBondContact O-CD2 3.36Å; H599-Y602 PolarHBondContact O-N 3.26Å; H599-Y602 VanDerWaalsContact O-N 3.15Å | ||
| 600 | T | 75.1 | Confident | 86 | Confident | 68 Ų | 68 | 55.6 Ų | 55.6 | 42% | 0.417 | 30% | 0.296 | S | S | . | . | G | 310 helix | trans | -64 | -25.1 | -174.1 | 44.7 | 0 | 0 | 0 | 0 | 112.6 | F598 Y602 L603 | F598-T600 HydrophobicContact CE1-CG2 4.09Å; F598-T600 HydrophobicContact CZ-CG2 4.22Å; T600-Y602 PolarHBondContact O-N 3.27Å; T600-L603 WeakPolarHBondContact O-CB 3.47Å; T600-L603 PolarHBondContact O-N 3.3Å |
| 601 | E | 79.1 | Confident | 85.8 | Confident | 135 Ų | 135 | 55.5 Ų | 55.5 | 63% | 0.631 | 30% | 0.296 | S | S | * | . | G | 310 helix | trans | -56.9 | -30.7 | 175.2 | -67.2 | 83.9 | 168.6 | 0 | 0 | 112.9 | H599 L603 S604 | H599-E601 WeakPolarHBondContact CB-OE2 3.47Å; H599-E601 PolarHBondContact O-N 2.82Å; E601-L603 PolarHBondContact O-N 3.02Å; E601-S604 VanDerWaalsContact O-CB 3.24Å; E601-S604 WeakPolarHBondContact O-CB 3.16Å; E601-S604 PolarHBondContact O-N 2.88Å; E601-S604 VanDerWaalsContact O-N 3.07Å |
| 602 | Y | 85.3 | Confident | 85.4 | Confident | 84 Ų | 84 | 56.3 Ų | 56.3 | 33% | 0.329 | 30% | 0.298 | S | S | . | . | G | 310 helix | trans | -65.2 | -19.2 | 176.5 | -73.3 | -70.5 | 0 | 0 | 0 | 113.7 | V479 P481 Y520 V596 H599 T600 S604 | V479-Y602 HydrophobicContact CG1-CD1 4.42Å; V479-Y602 HydrophobicContact CG1-CD2 3.47Å; V479-Y602 VanDerWaalsContact CG1-CD2 3.47Å; V479-Y602 HydrophobicContact CG1-CE2 3.96Å; V479-Y602 HydrophobicContact CG1-CG 3.74Å; P481-Y602 HydrophobicContact CB-CD1 4.3Å; P481-Y602 HydrophobicContact CB-CE1 4.27Å; P481-Y602 HydrophobicContact CG-CD1 4Å; P481-Y602 HydrophobicContact CG-CE1 3.67Å; Y520-Y602 WeakPolarHBondContact CE2-O 3.19Å; Y520-Y602 PolarHBondContact OH-O 2.74Å; V596-Y602 HydrophobicContact CG2-CE1 4.3Å; V596-Y602 HydrophobicContact CG2-CE2 3.89Å; V596-Y602 WeakPolarHBondContact CG2-OH 3.21Å; H599-Y602 HydrophobicContact CB-CD2 3.91Å; H599-Y602 HydrophobicContact CB-CE2 4Å; H599-Y602 WeakPolarHBondContact O-CD2 3.36Å; H599-Y602 PolarHBondContact O-N 3.26Å; H599-Y602 VanDerWaalsContact O-N 3.15Å; T600-Y602 PolarHBondContact O-N 3.27Å; Y602-S604 VanDerWaalsContact C-N 3.34Å |
| 603 | L | 82.6 | Confident | 85.1 | Confident | 1 Ų | 1 | 56.6 Ų | 56.6 | 1% | 0.005 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -84.2 | -9.8 | 176.3 | -51.7 | -171.5 | 0 | 0 | 0 | 112.7 | A454 V465 L470 Y520 F598 T600 E601 G605 F606 A608 L662 | A454-L603 HydrophobicContact CB-CB 4.33Å; A454-L603 HydrophobicContact CB-CD1 4.28Å; V465-L603 HydrophobicContact CG1-CD1 4.42Å; V465-L603 HydrophobicContact CG2-CB 4.38Å; L470-L603 HydrophobicContact CD1-CD1 3.41Å; L470-L603 VanDerWaalsContact CD1-CD1 3.41Å; Y520-L603 HydrophobicContact CD2-CD2 3.7Å; Y520-L603 HydrophobicContact CE2-CD2 4.13Å; Y520-L603 HydrophobicContact CG-CD2 4.24Å; F598-L603 HydrophobicContact CE2-CD1 4.27Å; F598-L603 HydrophobicContact CE2-CD2 4.04Å; F598-L603 HydrophobicContact CE2-CG 4.08Å; F598-L603 HydrophobicContact CZ-CD1 4Å; F598-L603 HydrophobicContact CZ-CG 4.22Å; T600-L603 WeakPolarHBondContact O-CB 3.47Å; T600-L603 PolarHBondContact O-N 3.3Å; E601-L603 PolarHBondContact O-N 3.02Å; L603-G605 PolarHBondContact O-N 2.9Å; L603-F606 PolarHBondContact O-N 3.39Å; L603-F606 VanDerWaalsContact O-N 3.08Å; L603-F606 VanDerWaalsContact O-O 3.07Å; L603-A608 HydrophobicContact CD1-CB 4.17Å; L603-A608 HydrophobicContact CD2-CB 3.97Å; L603-L662 HydrophobicContact CD2-CD1 3.81Å |
| 604 | S | 77.6 | Confident | 85.1 | Confident | 82 Ų | 82 | 52.2 Ų | 52.2 | 57% | 0.573 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | 122.9 | 177.7 | -169.2 | 0 | 0 | 0 | 0 | 110.4 | E601 Y602 F606 | E601-S604 VanDerWaalsContact O-CB 3.24Å; E601-S604 WeakPolarHBondContact O-CB 3.16Å; E601-S604 PolarHBondContact O-N 2.88Å; E601-S604 VanDerWaalsContact O-N 3.07Å; Y602-S604 VanDerWaalsContact C-N 3.34Å; S604-F606 VanDerWaalsContact C-N 3.34Å; S604-F606 WeakPolarHBondContact O-CD2 3.16Å |
| 605 | G | 75.2 | Confident | 85.1 | Confident | 38 Ų | 38 | 49.3 Ų | 49.3 | 39% | 0.392 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.5 | 13.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y456 L603 | Y456-G605 PolarHBondContact OH-O 3.38Å; L603-G605 PolarHBondContact O-N 2.9Å |
| 606 | F | 84.2 | Confident | 85 | Confident | 41 Ų | 41 | 55.5 Ų | 55.5 | 18% | 0.18 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -133.9 | 153.2 | 174.1 | -62 | -76.1 | 0 | 0 | 0 | 111.5 | Y456 F482 Y520 L603 S604 W666 | Y456-F606 PolarHBondContact OH-N 2.75Å; F482-F606 HydrophobicContact CB-CE1 4.17Å; F482-F606 HydrophobicContact CB-CZ 3.87Å; F482-F606 HydrophobicContact CD1-CE1 4.06Å; F482-F606 AromaticContact CD2-CD1 3.59Å; F482-F606 HydrophobicContact CD2-CD1 3.59Å; F482-F606 HydrophobicContact CD2-CD2 4.28Å; F482-F606 AromaticContact CD2-CE1 3.32Å; F482-F606 HydrophobicContact CD2-CE1 3.32Å; F482-F606 HydrophobicContact CD2-CE2 4.06Å; F482-F606 HydrophobicContact CD2-CG 4.07Å; F482-F606 AromaticContact CD2-CZ 3.58Å; F482-F606 HydrophobicContact CD2-CZ 3.58Å; F482-F606 HydrophobicContact CE1-CE1 4.29Å; F482-F606 AromaticContact CE2-CD1 3.42Å; F482-F606 HydrophobicContact CE2-CD1 3.42Å; F482-F606 VanDerWaalsContact CE2-CD1 3.42Å; F482-F606 AromaticContact CE2-CE1 3.61Å; F482-F606 HydrophobicContact CE2-CE1 3.61Å; F482-F606 AromaticContact CE2-CG 3.96Å; F482-F606 HydrophobicContact CE2-CG 3.96Å; F482-F606 HydrophobicContact CE2-CZ 4.29Å; F482-F606 HydrophobicContact CG-CD1 4.28Å; F482-F606 AromaticContact CG-CE1 3.58Å; F482-F606 HydrophobicContact CG-CE1 3.58Å; F482-F606 AromaticContact CG-CZ 3.77Å; F482-F606 HydrophobicContact CG-CZ 3.77Å; F482-F606 AromaticContact CZ-CD1 3.97Å; F482-F606 HydrophobicContact CZ-CD1 3.97Å; F482-F606 HydrophobicContact CZ-CE1 4.1Å; Y520-F606 HydrophobicContact CD2-CB 3.76Å; Y520-F606 HydrophobicContact CD2-CG 4.25Å; Y520-F606 HydrophobicContact CE2-CB 3.7Å; Y520-F606 AromaticContact CE2-CD2 3.71Å; Y520-F606 HydrophobicContact CE2-CD2 3.71Å; Y520-F606 AromaticContact CE2-CG 3.72Å; Y520-F606 HydrophobicContact CE2-CG 3.72Å; L603-F606 PolarHBondContact O-N 3.39Å; L603-F606 VanDerWaalsContact O-N 3.08Å; L603-F606 VanDerWaalsContact O-O 3.07Å; S604-F606 VanDerWaalsContact C-N 3.34Å; S604-F606 WeakPolarHBondContact O-CD2 3.16Å; F606-W666 HydrophobicContact CE1-CH2 4.03Å; F606-W666 HydrophobicContact CE1-CZ2 4.27Å |
| 607 | Q | 83.6 | Confident | 84.8 | Confident | 60 Ų | 60 | 57.9 Ų | 57.9 | 28% | 0.28 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 158.4 | 162.2 | -55.5 | -173 | -6.2 | 0 | 0 | 109.2 | A454 Y456 T517 G518 V519 Y520 | A454-Q607 VanDerWaalsContact O-CA 3.3Å; A454-Q607 WeakPolarHBondContact O-CA 3.48Å; Y456-Q607 HydrophobicContact CD2-CG 4.08Å; Y456-Q607 HydrophobicContact CE2-CG 3.68Å; T517-Q607 HydrophobicContact CG2-CG 3.89Å; G518-Q607 PolarHBondContact O-N 3.47Å; V519-Q607 CarbonylContact C-O 3.45Å; V519-Q607 WeakPolarHBondContact CA-O 3.42Å; V519-Q607 HydrophobicContact CG1-CB 4.2Å; V519-Q607 HydrophobicContact CG2-CB 4.16Å; Y520-Q607 PolarHBondContact N-O 2.88Å |
| 608 | A | 85.9 | Confident | 84.7 | Confident | 2 Ų | 2 | 54 Ų | 54 | 2% | 0.017 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 144.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | A453 A454 Y520 L603 | A453-A608 WeakPolarHBondContact CA-O 3.19Å; A453-A608 HydrophobicContact CB-CB 4.06Å; A453-A608 WeakPolarHBondContact CB-O 3.41Å; A453-A608 PolarHBondContact N-O 2.95Å; A454-A608 HydrophobicContact CB-CB 3.91Å; A454-A608 PolarHBondContact N-O 3.3Å; A454-A608 PolarHBondContact O-N 2.91Å; Y520-A608 WeakPolarHBondContact O-CA 3.27Å; L603-A608 HydrophobicContact CD1-CB 4.17Å; L603-A608 HydrophobicContact CD2-CB 3.97Å |
| 609 | E | 84.7 | Confident | 84.8 | Confident | 30 Ų | 30 | 54.7 Ų | 54.7 | 14% | 0.14 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 137.6 | 175.5 | -66.7 | -75.5 | -174.6 | 0 | 0 | 110.2 | T451 V519 Y520 P522 L575 | T451-E609 WeakPolarHBondContact CB-OE2 3.23Å; T451-E609 PolarHBondContact OG1-OE2 3.23Å; V519-E609 HydrophobicContact CG1-CG 4.19Å; Y520-E609 PolarHBondContact O-N 3.46Å; P522-E609 WeakPolarHBondContact CD-O 3.38Å; P522-E609 HydrophobicContact CG-CB 4.42Å; L575-E609 HydrophobicContact CD1-CB 3.71Å; L575-E609 HydrophobicContact CD1-CG 3.97Å; L575-E609 HydrophobicContact CD2-CB 4.41Å |
| 610 | K | 83 | Confident | 85.2 | Confident | 36 Ų | 36 | 56.2 Ų | 56.2 | 16% | 0.157 | 30% | 0.298 | C | S | . | . | trans | -85.7 | 137.6 | 172.8 | -172 | -161.5 | 78.6 | -165.5 | 0 | 108.8 | H450 T451 A453 R469 F474 L575 | H450-K610 PolarHBondContact O-NZ 3.43Å; T451-K610 WeakPolarHBondContact O-CA 3.29Å; T451-K610 WeakPolarHBondContact O-CB 3.29Å; T451-K610 PolarHBondContact O-N 3.44Å; A453-K610 HydrophobicContact CB-CB 4.26Å; R469-K610 HydrophobicContact CB-CD 4.26Å; F474-K610 HydrophobicContact CB-CG 4.37Å; F474-K610 HydrophobicContact CD1-CD 3.83Å; F474-K610 HydrophobicContact CD1-CG 3.87Å; F474-K610 HydrophobicContact CE1-CD 4.28Å; F474-K610 HydrophobicContact CG-CD 4.14Å; F474-K610 HydrophobicContact CG-CG 4.33Å; L575-K610 WeakPolarHBondContact CD2-O 3.28Å | ||
| 611 | R | 85.7 | Confident | 86 | Confident | 13 Ų | 13 | 57 Ų | 57 | 5% | 0.049 | 30% | 0.297 | C | S | . | . | trans | -53.3 | 139.6 | 172 | 62.1 | -164.8 | -174.9 | 91.8 | -6.3 | 112.5 | E473 F474 P522 W524 A574 E614 Y660 | E473-R611 PolarHBondContact O-NH2 2.77Å; F474-R611 HydrophobicContact CD1-CG 4.31Å; P522-R611 HydrophobicContact CB-CB 4.04Å; P522-R611 HydrophobicContact CG-CB 4.32Å; W524-R611 VanDerWaalsContact CZ2-NH1 3.32Å; A574-R611 HydrophobicContact CB-CB 3.82Å; A574-R611 WeakPolarHBondContact O-CA 3.43Å; R611-E614 IonicContact CZ-OE1 3.88Å; R611-E614 IonicContact CZ-OE2 3.87Å; R611-E614 IonicContact NH1-OE1 3.03Å; R611-E614 PolarHBondContact NH1-OE1 3.4Å; R611-E614 IonicContact NH1-OE2 3.46Å; R611-E614 PolarHBondContact NH1-OE2 2.82Å; R611-E614 IonicContact NH2-OE2 3.86Å; R611-Y660 HydrophobicContact CB-CE2 4.38Å; R611-Y660 HydrophobicContact CG-CE1 4.31Å; R611-Y660 HydrophobicContact CG-CE2 4.45Å | ||
| 612 | D | 82.2 | Confident | 86.8 | Confident | 48 Ų | 48 | 50.6 Ų | 50.6 | 26% | 0.257 | 27% | 0.267 | S | S | . | . | trans | -118.2 | -13.8 | 169.8 | 66.5 | 5.7 | 0 | 0 | 0 | 112.1 | T451 A574 L575 Q576 K577 | T451-D612 HydrophobicContact CG2-CB 4.05Å; A574-D612 PolarHBondContact O-N 3.2Å; L575-D612 WeakPolarHBondContact CA-OD1 3.48Å; Q576-D612 VanDerWaalsContact N-CG 3.35Å; Q576-D612 PolarHBondContact N-OD1 2.85Å; Q576-D612 PolarHBondContact N-OD2 2.92Å; K577-D612 PolarHBondContact N-OD2 2.75Å | ||
| 613 | I | 86.1 | Confident | 87.2 | Confident | 19 Ų | 19 | 51.8 Ų | 51.8 | 10% | 0.097 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -102 | 123.3 | 173 | -64.4 | 173.6 | 0 | 0 | 0 | 110.2 | W524 A574 Q576 D617 L618 | W524-I613 PolarHBondContact NE1-O 3.41Å; A574-I613 PolarHBondContact O-N 2.96Å; Q576-I613 HydrophobicContact CB-CD1 3.92Å; Q576-I613 HydrophobicContact CB-CG1 3.83Å; I613-D617 HydrophobicContact CG2-CB 4.14Å; I613-L618 HydrophobicContact CG2-CD1 3.85Å; I613-L618 HydrophobicContact CG2-CD2 3.91Å; I613-L618 HydrophobicContact CG2-CG 3.55Å |
| 614 | E | 89.5 | Confident | 87.8 | Confident | 44 Ų | 44 | 57.9 Ų | 57.9 | 21% | 0.206 | 30% | 0.303 | C | S | . | . | trans | -81.6 | 152.7 | 172.7 | -61.9 | -58.2 | 118.2 | 0 | 0 | 111.3 | R611 K616 D617 | R611-E614 IonicContact CZ-OE1 3.88Å; R611-E614 IonicContact CZ-OE2 3.87Å; R611-E614 IonicContact NH1-OE1 3.03Å; R611-E614 PolarHBondContact NH1-OE1 3.4Å; R611-E614 IonicContact NH1-OE2 3.46Å; R611-E614 PolarHBondContact NH1-OE2 2.82Å; R611-E614 IonicContact NH2-OE2 3.86Å; E614-K616 HydrophobicContact CB-CD 3.96Å; E614-K616 HydrophobicContact CB-CG 3.87Å; E614-K616 PolarHBondContact O-N 2.95Å; E614-K616 VanDerWaalsContact O-N 3.1Å; E614-D617 VanDerWaalsContact CB-OD2 3.32Å; E614-D617 WeakPolarHBondContact CB-OD2 3.29Å; E614-D617 PolarHBondContact N-OD2 3.48Å; E614-D617 VanDerWaalsContact N-OD2 3.08Å; E614-D617 WeakPolarHBondContact O-CB 3.5Å; E614-D617 PolarHBondContact O-N 3.33Å | ||
| 615 | I | 91.7 | Very high | 88.6 | Confident | 37 Ų | 37 | 55.4 Ų | 55.4 | 19% | 0.19 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -57.2 | -31.3 | 179.7 | -171.3 | 63.2 | 0 | 0 | 0 | 113 | W524 V526 D617 L618 A619 I622 N658 | W524-I615 HydrophobicContact CB-CD1 3.96Å; W524-I615 HydrophobicContact CD2-CB 3.99Å; W524-I615 HydrophobicContact CD2-CD1 3.95Å; W524-I615 HydrophobicContact CD2-CG1 4.44Å; W524-I615 HydrophobicContact CE3-CB 4.26Å; W524-I615 HydrophobicContact CE3-CD1 4.28Å; W524-I615 HydrophobicContact CG-CD1 3.82Å; W524-I615 HydrophobicContact CH2-CB 4.14Å; W524-I615 HydrophobicContact CH2-CG2 4.36Å; W524-I615 HydrophobicContact CZ2-CB 3.85Å; W524-I615 HydrophobicContact CZ2-CG2 4.35Å; W524-I615 HydrophobicContact CZ3-CB 4.34Å; V526-I615 HydrophobicContact CG2-CD1 4.22Å; I615-D617 VanDerWaalsContact C-N 3.27Å; I615-D617 PolarHBondContact O-N 2.97Å; I615-L618 PolarHBondContact O-N 2.83Å; I615-A619 PolarHBondContact O-N 2.68Å; I615-I622 HydrophobicContact CD1-CD1 3.57Å; I615-N658 HydrophobicContact CD1-CB 4.28Å; I615-N658 HydrophobicContact CG1-CB 4.02Å |
| 616 | K | 91.8 | Very high | 89.7 | Confident | 147 Ų | 147 | 53.7 Ų | 53.7 | 64% | 0.639 | 26% | 0.264 | S | S | * | . | G | 310 helix | trans | -61.9 | -31.9 | 175.7 | 76.2 | -160.1 | -179 | -162.7 | 0 | 112.7 | E614 L618 A619 | E614-K616 HydrophobicContact CB-CD 3.96Å; E614-K616 HydrophobicContact CB-CG 3.87Å; E614-K616 PolarHBondContact O-N 2.95Å; E614-K616 VanDerWaalsContact O-N 3.1Å; K616-L618 VanDerWaalsContact C-N 3.27Å; K616-L618 PolarHBondContact O-N 2.58Å; K616-A619 WeakPolarHBondContact O-CB 3.37Å; K616-A619 PolarHBondContact O-N 3.33Å |
| 617 | D | 90 | Very high | 90.2 | Very high | 102 Ų | 102 | 53 Ų | 53 | 55% | 0.545 | 26% | 0.264 | S | S | . | . | G | 310 helix | trans | -80.7 | -15 | -177.6 | -49.5 | -42 | 0 | 0 | 0 | 111.2 | I613 E614 I615 | I613-D617 HydrophobicContact CG2-CB 4.14Å; E614-D617 VanDerWaalsContact CB-OD2 3.32Å; E614-D617 WeakPolarHBondContact CB-OD2 3.29Å; E614-D617 PolarHBondContact N-OD2 3.48Å; E614-D617 VanDerWaalsContact N-OD2 3.08Å; E614-D617 WeakPolarHBondContact O-CB 3.5Å; E614-D617 PolarHBondContact O-N 3.33Å; I615-D617 VanDerWaalsContact C-N 3.27Å; I615-D617 PolarHBondContact O-N 2.97Å |
| 618 | L | 90.8 | Very high | 90.8 | Very high | 17 Ų | 17 | 53.4 Ų | 53.4 | 9% | 0.089 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -100.5 | -3.4 | 173.7 | -63 | 175 | 0 | 0 | 0 | 113.4 | W524 K572 I613 I615 K616 D620 Q621 I622 | W524-L618 HydrophobicContact CG-CD1 4.47Å; K572-L618 HydrophobicContact CB-CD1 3.94Å; I613-L618 HydrophobicContact CG2-CD1 3.85Å; I613-L618 HydrophobicContact CG2-CD2 3.91Å; I613-L618 HydrophobicContact CG2-CG 3.55Å; I615-L618 PolarHBondContact O-N 2.83Å; K616-L618 VanDerWaalsContact C-N 3.27Å; K616-L618 PolarHBondContact O-N 2.58Å; L618-D620 PolarHBondContact O-N 3.29Å; L618-Q621 PolarHBondContact O-N 2.83Å; L618-Q621 VanDerWaalsContact O-N 3.13Å; L618-I622 HydrophobicContact CB-CD1 3.66Å; L618-I622 HydrophobicContact CB-CG1 4.31Å; L618-I622 WeakPolarHBondContact O-CG1 3.46Å; L618-I622 PolarHBondContact O-N 2.95Å |
| 619 | A | 93.6 | Very high | 91.2 | Very high | 37 Ų | 37 | 53.7 Ų | 53.7 | 31% | 0.306 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -55.8 | -53.4 | -169.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | I615 K616 Q621 I622 E623 | I615-A619 PolarHBondContact O-N 2.68Å; K616-A619 WeakPolarHBondContact O-CB 3.37Å; K616-A619 PolarHBondContact O-N 3.33Å; A619-Q621 VanDerWaalsContact C-N 3.27Å; A619-Q621 PolarHBondContact O-N 3.04Å; A619-I622 PolarHBondContact O-N 3.23Å; A619-I622 VanDerWaalsContact O-N 3.13Å; A619-E623 WeakPolarHBondContact O-CB 3.48Å; A619-E623 PolarHBondContact O-N 3.46Å |
| 620 | D | 92.6 | Very high | 91.8 | Very high | 140 Ų | 140 | 52.2 Ų | 52.2 | 75% | 0.749 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -56.6 | -39.4 | 178.6 | -66.6 | -5.9 | 0 | 0 | 0 | 112.5 | L618 H624 | L618-D620 PolarHBondContact O-N 3.29Å; D620-H624 VanDerWaalsContact O-CB 3.27Å; D620-H624 WeakPolarHBondContact O-CB 3.29Å; D620-H624 PolarHBondContact O-N 3.5Å |
| 621 | Q | 91.1 | Very high | 92.3 | Very high | 85 Ų | 85 | 52.1 Ų | 52.1 | 40% | 0.397 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -69.8 | -42.5 | 179 | -176.8 | -179.9 | 3.4 | 0 | 0 | 111.4 | L618 A619 E625 | L618-Q621 PolarHBondContact O-N 2.83Å; L618-Q621 VanDerWaalsContact O-N 3.13Å; A619-Q621 VanDerWaalsContact C-N 3.27Å; A619-Q621 PolarHBondContact O-N 3.04Å; Q621-E625 WeakPolarHBondContact CG-OE1 3.19Å; Q621-E625 PolarHBondContact NE2-OE1 2.74Å; Q621-E625 PolarHBondContact O-N 3.4Å |
| 622 | I | 95.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.9 | -48.4 | 178.3 | -69.6 | 160 | 0 | 0 | 0 | 109.8 | V526 L570 K572 I615 L618 A619 H624 E625 L626 | V526-I622 HydrophobicContact CG1-CG2 4.11Å; V526-I622 HydrophobicContact CG2-CD1 4.01Å; V526-I622 HydrophobicContact CG2-CG2 4.47Å; L570-I622 HydrophobicContact CD2-CG2 4.41Å; K572-I622 HydrophobicContact CD-CG1 4.44Å; K572-I622 HydrophobicContact CG-CD1 4.31Å; K572-I622 HydrophobicContact CG-CG1 4.05Å; I615-I622 HydrophobicContact CD1-CD1 3.57Å; L618-I622 HydrophobicContact CB-CD1 3.66Å; L618-I622 HydrophobicContact CB-CG1 4.31Å; L618-I622 WeakPolarHBondContact O-CG1 3.46Å; L618-I622 PolarHBondContact O-N 2.95Å; A619-I622 PolarHBondContact O-N 3.23Å; A619-I622 VanDerWaalsContact O-N 3.13Å; I622-H624 VanDerWaalsContact C-N 3.31Å; I622-H624 PolarHBondContact O-N 2.87Å; I622-E625 PolarHBondContact O-N 2.95Å; I622-L626 HydrophobicContact CG2-CD1 3.77Å; I622-L626 HydrophobicContact CG2-CG 4.21Å; I622-L626 WeakPolarHBondContact O-CB 3.49Å; I622-L626 VanDerWaalsContact O-CG 3.24Å; I622-L626 WeakPolarHBondContact O-CG 3.29Å; I622-L626 PolarHBondContact O-N 3.01Å |
| 623 | E | 94.9 | Very high | 93.2 | Very high | 108 Ų | 108 | 51.9 Ų | 51.9 | 51% | 0.505 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -60.4 | -40.2 | 178.2 | -171.8 | 179.6 | 158.8 | 0 | 0 | 111.8 | A619 T627 V653 | A619-E623 WeakPolarHBondContact O-CB 3.48Å; A619-E623 PolarHBondContact O-N 3.46Å; E623-T627 VanDerWaalsContact O-CB 3.27Å; E623-T627 WeakPolarHBondContact O-CB 3.31Å; E623-T627 PolarHBondContact O-N 3.5Å; E623-T627 PolarHBondContact O-OG1 2.62Å; E623-V653 HydrophobicContact CG-CG2 4.2Å |
| 624 | H | 95.2 | Very high | 93.6 | Very high | 129 Ų | 129 | 51 Ų | 51 | 60% | 0.597 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -63.2 | -46.4 | 175.2 | -174.2 | 66.6 | 0 | 0 | 0 | 112.6 | D620 I622 T627 E628 | D620-H624 VanDerWaalsContact O-CB 3.27Å; D620-H624 WeakPolarHBondContact O-CB 3.29Å; D620-H624 PolarHBondContact O-N 3.5Å; I622-H624 VanDerWaalsContact C-N 3.31Å; I622-H624 PolarHBondContact O-N 2.87Å; H624-T627 PolarHBondContact O-N 2.9Å; H624-E628 PolarHBondContact O-N 3.33Å |
| 625 | E | 94.8 | Very high | 93.7 | Very high | 31 Ų | 31 | 55 Ų | 55 | 15% | 0.145 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.7 | -45.7 | 177.7 | -79.6 | 173.9 | -146.6 | 0 | 0 | 111.6 | L570 K572 Q621 I622 T627 E628 Y629 | L570-E625 HydrophobicContact CD2-CB 4.43Å; K572-E625 IonicContact NZ-OE1 3.64Å; K572-E625 PolarHBondContact NZ-OE1 3.26Å; K572-E625 IonicContact NZ-OE2 3.95Å; K572-E625 PolarHBondContact NZ-OE2 2.8Å; Q621-E625 WeakPolarHBondContact CG-OE1 3.19Å; Q621-E625 PolarHBondContact NE2-OE1 2.74Å; Q621-E625 PolarHBondContact O-N 3.4Å; I622-E625 PolarHBondContact O-N 2.95Å; E625-T627 VanDerWaalsContact C-N 3.28Å; E625-T627 PolarHBondContact O-N 3.26Å; E625-E628 PolarHBondContact O-N 2.97Å; E625-Y629 HydrophobicContact CB-CE2 3.84Å; E625-Y629 WeakPolarHBondContact O-CB 3.22Å; E625-Y629 WeakPolarHBondContact O-CD1 3.3Å; E625-Y629 WeakPolarHBondContact O-CD2 3.25Å; E625-Y629 PolarHBondContact O-N 3.34Å; E625-Y629 PolarHBondContact OE2-OH 3.03Å |
| 626 | L | 97 | Very high | 93.6 | Very high | 1 Ų | 1 | 56.9 Ų | 56.9 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -58.9 | -39.9 | 174.9 | -68.2 | 175.6 | 0 | 0 | 0 | 111.8 | A528 T530 I567 L570 I622 T630 V653 | A528-L626 HydrophobicContact CB-CD1 3.62Å; A528-L626 HydrophobicContact CB-CD2 3.8Å; A528-L626 HydrophobicContact CB-CG 4.38Å; T530-L626 HydrophobicContact CG2-CB 4.28Å; I567-L626 HydrophobicContact CB-CD2 3.96Å; I567-L626 HydrophobicContact CD1-CB 4.46Å; I567-L626 HydrophobicContact CD1-CD2 3.67Å; I567-L626 HydrophobicContact CG1-CD2 4.38Å; I567-L626 HydrophobicContact CG2-CD2 3.8Å; L570-L626 HydrophobicContact CD2-CD2 3.87Å; L570-L626 HydrophobicContact CD2-CG 4.17Å; I622-L626 HydrophobicContact CG2-CD1 3.77Å; I622-L626 HydrophobicContact CG2-CG 4.21Å; I622-L626 WeakPolarHBondContact O-CB 3.49Å; I622-L626 VanDerWaalsContact O-CG 3.24Å; I622-L626 WeakPolarHBondContact O-CG 3.29Å; I622-L626 PolarHBondContact O-N 3.01Å; L626-T630 WeakPolarHBondContact O-CB 3.5Å; L626-T630 PolarHBondContact O-N 3.01Å; L626-T630 PolarHBondContact O-OG1 2.78Å; L626-V653 HydrophobicContact CD1-CG1 4.41Å; L626-V653 HydrophobicContact CD1-CG2 4.17Å |
| 627 | T | 95.8 | Very high | 93.6 | Very high | 28 Ų | 28 | 51.2 Ų | 51.2 | 17% | 0.172 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.2 | -50.5 | 175.4 | -64 | 0 | 0 | 0 | 0 | 111.8 | E623 H624 E625 Y629 T630 E631 V651 | E623-T627 VanDerWaalsContact O-CB 3.27Å; E623-T627 WeakPolarHBondContact O-CB 3.31Å; E623-T627 PolarHBondContact O-N 3.5Å; E623-T627 PolarHBondContact O-OG1 2.62Å; H624-T627 PolarHBondContact O-N 2.9Å; E625-T627 VanDerWaalsContact C-N 3.28Å; E625-T627 PolarHBondContact O-N 3.26Å; T627-Y629 VanDerWaalsContact C-N 3.32Å; T627-Y629 PolarHBondContact O-N 2.66Å; T627-T630 PolarHBondContact O-N 2.77Å; T627-E631 HydrophobicContact CG2-CG 4.46Å; T627-E631 WeakPolarHBondContact O-CB 3.38Å; T627-E631 VanDerWaalsContact O-CG 3.32Å; T627-E631 WeakPolarHBondContact O-CG 3.33Å; T627-E631 PolarHBondContact O-N 3.23Å; T627-V651 HydrophobicContact CG2-CB 4.1Å; T627-V651 HydrophobicContact CG2-CG2 4.13Å |
| 628 | E | 94.7 | Very high | 93.6 | Very high | 67 Ų | 67 | 47.4 Ų | 47.4 | 31% | 0.313 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -57.3 | -45.9 | 178 | -168 | -165.8 | -178 | 0 | 0 | 110.8 | H624 E625 E631 D632 R880 | H624-E628 PolarHBondContact O-N 3.33Å; E625-E628 PolarHBondContact O-N 2.97Å; E628-E631 PolarHBondContact O-N 3.12Å; E628-D632 WeakPolarHBondContact O-CB 3.27Å; E628-D632 PolarHBondContact O-N 3.49Å; E628-R880 IonicContact OE1-CZ 3.67Å; E628-R880 IonicContact OE1-NH2 2.68Å; E628-R880 PolarHBondContact OE1-NH2 3.08Å; E628-R880 IonicContact OE2-NH2 3.75Å; E628-R880 PolarHBondContact OE2-NH2 2.91Å |
| 629 | Y | 95.7 | Very high | 93.3 | Very high | 8 Ų | 8 | 50.1 Ų | 50.1 | 3% | 0.031 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.8 | -43.7 | -178.9 | -59.1 | -22.3 | 0 | 0 | 0 | 112.3 | L570 E625 T627 D632 L633 Y881 Y883 | L570-Y629 HydrophobicContact CD1-CE2 4.04Å; L570-Y629 HydrophobicContact CD2-CE2 4.46Å; E625-Y629 HydrophobicContact CB-CE2 3.84Å; E625-Y629 WeakPolarHBondContact O-CB 3.22Å; E625-Y629 WeakPolarHBondContact O-CD1 3.3Å; E625-Y629 WeakPolarHBondContact O-CD2 3.25Å; E625-Y629 PolarHBondContact O-N 3.34Å; E625-Y629 PolarHBondContact OE2-OH 3.03Å; T627-Y629 VanDerWaalsContact C-N 3.32Å; T627-Y629 PolarHBondContact O-N 2.66Å; Y629-D632 PolarHBondContact O-N 3.41Å; Y629-L633 WeakPolarHBondContact O-CB 3.37Å; Y629-L633 WeakPolarHBondContact O-CG 3.23Å; Y629-L633 PolarHBondContact O-N 3.37Å; Y629-Y881 AromaticContact CD2-CD1 3.82Å; Y629-Y881 HydrophobicContact CD2-CD1 3.82Å; Y629-Y881 AromaticContact CD2-CE1 3.79Å; Y629-Y881 HydrophobicContact CD2-CE1 3.79Å; Y629-Y881 AromaticContact CE2-CD1 3.31Å; Y629-Y881 HydrophobicContact CE2-CD1 3.31Å; Y629-Y881 AromaticContact CE2-CE1 3.73Å; Y629-Y881 HydrophobicContact CE2-CE1 3.73Å; Y629-Y881 HydrophobicContact CE2-CG 4.29Å; Y629-Y881 AromaticContact CZ-CD1 3.77Å; Y629-Y883 AromaticContact CD1-CD1 3.71Å; Y629-Y883 HydrophobicContact CD1-CD1 3.71Å; Y629-Y883 HydrophobicContact CD1-CD2 4.27Å; Y629-Y883 HydrophobicContact CD1-CE1 4.35Å; Y629-Y883 AromaticContact CD1-CG 3.68Å; Y629-Y883 HydrophobicContact CD1-CG 3.68Å; Y629-Y883 HydrophobicContact CE1-CD1 4.11Å; Y629-Y883 HydrophobicContact CE1-CG 4.43Å; Y629-Y883 HydrophobicContact CG-CD1 4.32Å; Y629-Y883 HydrophobicContact CG-CD2 4.31Å; Y629-Y883 AromaticContact CG-CG 3.83Å; Y629-Y883 HydrophobicContact CG-CG 3.83Å |
| 630 | T | 96.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -68.5 | -37 | 178.4 | -68.4 | 0 | 0 | 0 | 0 | 112.4 | T530 A565 L626 T627 L634 V651 | T530-T630 PolarHBondContact OG1-OG1 2.78Å; A565-T630 HydrophobicContact CB-CG2 4.11Å; A565-T630 WeakPolarHBondContact CB-OG1 3.35Å; L626-T630 WeakPolarHBondContact O-CB 3.5Å; L626-T630 PolarHBondContact O-N 3.01Å; L626-T630 PolarHBondContact O-OG1 2.78Å; T627-T630 PolarHBondContact O-N 2.77Å; T630-L634 HydrophobicContact CG2-CD1 4.17Å; T630-L634 WeakPolarHBondContact O-CB 3.24Å; T630-L634 WeakPolarHBondContact O-CG 3.38Å; T630-L634 PolarHBondContact O-N 3.19Å; T630-V651 HydrophobicContact CG2-CG1 3.89Å; T630-V651 HydrophobicContact CG2-CG2 3.95Å |
| 631 | E | 94.2 | Very high | 92.3 | Very high | 33 Ų | 33 | 47.5 Ų | 47.5 | 15% | 0.154 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.7 | -45.2 | 172.7 | -74 | 180 | -179.5 | 0 | 0 | 112.4 | T627 E628 L634 R635 K649 V651 | T627-E631 HydrophobicContact CG2-CG 4.46Å; T627-E631 WeakPolarHBondContact O-CB 3.38Å; T627-E631 VanDerWaalsContact O-CG 3.32Å; T627-E631 WeakPolarHBondContact O-CG 3.33Å; T627-E631 PolarHBondContact O-N 3.23Å; E628-E631 PolarHBondContact O-N 3.12Å; E631-L634 PolarHBondContact O-N 3.44Å; E631-R635 VanDerWaalsContact O-CB 3.31Å; E631-R635 WeakPolarHBondContact O-CB 3.44Å; E631-R635 PolarHBondContact O-N 3.25Å; E631-K649 VanDerWaalsContact OE1-CD 3.29Å; E631-K649 WeakPolarHBondContact OE1-CD 3.38Å; E631-K649 WeakPolarHBondContact OE1-CE 3.34Å; E631-K649 VanDerWaalsContact OE1-CG 3.32Å; E631-K649 WeakPolarHBondContact OE1-CG 3.13Å; E631-K649 IonicContact OE1-NZ 3.44Å; E631-K649 PolarHBondContact OE1-NZ 3.13Å; E631-K649 WeakPolarHBondContact OE2-CD 3.42Å; E631-K649 IonicContact OE2-NZ 3.2Å; E631-K649 PolarHBondContact OE2-NZ 2.91Å; E631-V651 HydrophobicContact CG-CG2 3.87Å |
| 632 | D | 92.3 | Very high | 91.8 | Very high | 38 Ų | 38 | 47.3 Ų | 47.3 | 20% | 0.203 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66.2 | -41.3 | 177.8 | -101.5 | 5.4 | 0 | 0 | 0 | 111.8 | E628 Y629 L634 R635 D636 Y883 | E628-D632 WeakPolarHBondContact O-CB 3.27Å; E628-D632 PolarHBondContact O-N 3.49Å; Y629-D632 PolarHBondContact O-N 3.41Å; D632-L634 VanDerWaalsContact C-N 3.34Å; D632-L634 PolarHBondContact O-N 3.25Å; D632-R635 WeakPolarHBondContact O-CB 3.5Å; D632-R635 PolarHBondContact O-N 2.89Å; D632-R635 VanDerWaalsContact O-N 3.17Å; D632-D636 VanDerWaalsContact O-CG 3.31Å; D632-D636 PolarHBondContact O-N 2.94Å; D632-Y883 HydrophobicContact CB-CE2 3.65Å; D632-Y883 WeakPolarHBondContact CB-OH 3.44Å; D632-Y883 PolarHBondContact OD2-OH 2.82Å |
| 633 | L | 93.4 | Very high | 91.3 | Very high | 18 Ų | 18 | 50.9 Ų | 50.9 | 9% | 0.094 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.5 | -44.6 | 173.7 | -71.3 | 168 | 0 | 0 | 0 | 111.2 | A565 Y629 R635 D636 T637 Y883 R884 A887 L889 | A565-L633 HydrophobicContact CB-CD1 4.15Å; Y629-L633 WeakPolarHBondContact O-CB 3.37Å; Y629-L633 WeakPolarHBondContact O-CG 3.23Å; Y629-L633 PolarHBondContact O-N 3.37Å; L633-R635 VanDerWaalsContact C-N 3.33Å; L633-R635 PolarHBondContact O-N 3.3Å; L633-D636 PolarHBondContact O-N 2.85Å; L633-T637 WeakPolarHBondContact O-CG2 3.43Å; L633-Y883 HydrophobicContact CD2-CD2 4.14Å; L633-Y883 HydrophobicContact CD2-CE2 4.4Å; L633-Y883 HydrophobicContact CG-CD2 4Å; L633-Y883 HydrophobicContact CG-CE2 4.3Å; L633-R884 HydrophobicContact CD2-CG 4.45Å; L633-A887 HydrophobicContact CD1-CB 3.71Å; L633-L889 HydrophobicContact CB-CB 4.35Å; L633-L889 HydrophobicContact CB-CD2 4Å; L633-L889 WeakPolarHBondContact O-CD2 3.48Å |
| 634 | L | 94.7 | Very high | 91 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.9 | -39.9 | 175 | -75.4 | 165 | 0 | 0 | 0 | 111.6 | L534 R561 T630 E631 D632 T637 L889 L891 | L534-L634 HydrophobicContact CB-CB 4.09Å; L534-L634 HydrophobicContact CB-CD1 4.39Å; L534-L634 HydrophobicContact CD2-CB 4.22Å; R561-L634 HydrophobicContact CB-CD2 4.05Å; T630-L634 HydrophobicContact CG2-CD1 4.17Å; T630-L634 WeakPolarHBondContact O-CB 3.24Å; T630-L634 WeakPolarHBondContact O-CG 3.38Å; T630-L634 PolarHBondContact O-N 3.19Å; E631-L634 PolarHBondContact O-N 3.44Å; D632-L634 VanDerWaalsContact C-N 3.34Å; D632-L634 PolarHBondContact O-N 3.25Å; L634-T637 PolarHBondContact O-N 3.38Å; L634-T637 PolarHBondContact O-OG1 2.95Å; L634-L889 HydrophobicContact CD2-CD1 4.11Å; L634-L889 HydrophobicContact CD2-CD2 4.08Å; L634-L889 HydrophobicContact CG-CD1 4.36Å; L634-L889 HydrophobicContact CG-CD2 4.29Å; L634-L891 HydrophobicContact CD2-CD2 4Å |
| 635 | R | 91.9 | Very high | 90.8 | Very high | 128 Ų | 128 | 46 Ų | 46 | 48% | 0.483 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -66.7 | -37.9 | 178.7 | -173.4 | -179.9 | -176 | 177.2 | 3 | 112.7 | L534 E631 D632 L633 T637 V638 F644 | L534-R635 HydrophobicContact CD2-CB 3.9Å; L534-R635 HydrophobicContact CD2-CG 4.49Å; E631-R635 VanDerWaalsContact O-CB 3.31Å; E631-R635 WeakPolarHBondContact O-CB 3.44Å; E631-R635 PolarHBondContact O-N 3.25Å; D632-R635 WeakPolarHBondContact O-CB 3.5Å; D632-R635 PolarHBondContact O-N 2.89Å; D632-R635 VanDerWaalsContact O-N 3.17Å; L633-R635 VanDerWaalsContact C-N 3.33Å; L633-R635 PolarHBondContact O-N 3.3Å; R635-T637 PolarHBondContact O-N 2.92Å; R635-V638 VanDerWaalsContact O-CB 3.28Å; R635-V638 WeakPolarHBondContact O-CB 3.43Å; R635-V638 PolarHBondContact O-N 2.82Å; R635-F644 HydrophobicContact CG-CD1 4.48Å; R635-F644 HydrophobicContact CG-CE1 4.28Å |
| 636 | D | 90.5 | Very high | 90.5 | Very high | 77 Ų | 77 | 46.9 Ų | 46.9 | 41% | 0.412 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -60.8 | -24.8 | 176 | -73.7 | -23.4 | 0 | 0 | 0 | 112.4 | D632 L633 V638 R884 | D632-D636 VanDerWaalsContact O-CG 3.31Å; D632-D636 PolarHBondContact O-N 2.94Å; L633-D636 PolarHBondContact O-N 2.85Å; D636-V638 PolarHBondContact O-N 3.29Å; D636-R884 VanDerWaalsContact CG-NH2 3.28Å; D636-R884 IonicContact OD1-CZ 3.87Å; D636-R884 IonicContact OD1-NE 2.62Å; D636-R884 IonicContact OD1-NH2 2.89Å; D636-R884 PolarHBondContact OD1-NH2 3.37Å; D636-R884 IonicContact OD2-CZ 3.66Å; D636-R884 IonicContact OD2-NE 2.68Å; D636-R884 PolarHBondContact OD2-NE 2.79Å; D636-R884 IonicContact OD2-NH2 2.59Å; D636-R884 PolarHBondContact OD2-NH2 3.38Å |
| 637 | T | 91.4 | Very high | 90.2 | Very high | 29 Ų | 29 | 48.7 Ų | 48.7 | 18% | 0.178 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | -2.7 | 173.7 | 80.6 | 0 | 0 | 0 | 0 | 114 | R561 L633 L634 R635 S639 L889 L891 | R561-T637 WeakPolarHBondContact CD-OG1 3.34Å; R561-T637 WeakPolarHBondContact CG-OG1 3.17Å; R561-T637 PolarHBondContact NE-O 3.29Å; R561-T637 PolarHBondContact NE-OG1 2.9Å; L633-T637 WeakPolarHBondContact O-CG2 3.43Å; L634-T637 PolarHBondContact O-N 3.38Å; L634-T637 PolarHBondContact O-OG1 2.95Å; R635-T637 PolarHBondContact O-N 2.92Å; T637-S639 PolarHBondContact O-N 3.43Å; T637-L889 HydrophobicContact CG2-CD2 3.8Å; T637-L891 HydrophobicContact CG2-CD1 3.99Å; T637-L891 HydrophobicContact CG2-CD2 4.22Å; T637-L891 HydrophobicContact CG2-CG 4.34Å |
| 638 | V | 89.1 | Confident | 90 | Very high | 22 Ų | 22 | 53.8 Ų | 53.8 | 13% | 0.133 | 32% | 0.319 | C | S | . | . | trans | -94.8 | 78.3 | 177.4 | -172.3 | 0 | 0 | 0 | 0 | 109.9 | I559 R561 R635 D636 Y641 F644 | I559-V638 HydrophobicContact CD1-CG1 3.75Å; I559-V638 HydrophobicContact CG2-CG1 4.21Å; I559-V638 HydrophobicContact CG2-CG2 4.09Å; R561-V638 HydrophobicContact CG-CG2 4Å; R635-V638 VanDerWaalsContact O-CB 3.28Å; R635-V638 WeakPolarHBondContact O-CB 3.43Å; R635-V638 PolarHBondContact O-N 2.82Å; D636-V638 PolarHBondContact O-N 3.29Å; V638-Y641 HydrophobicContact CG1-CD2 3.97Å; V638-Y641 HydrophobicContact CG1-CE2 4.31Å; V638-F644 HydrophobicContact CB-CD1 4.48Å; V638-F644 HydrophobicContact CG1-CB 4.23Å; V638-F644 HydrophobicContact CG1-CD1 4.14Å; V638-F644 HydrophobicContact CG1-CD2 3.65Å; V638-F644 HydrophobicContact CG1-CE1 4.43Å; V638-F644 HydrophobicContact CG1-CE2 3.95Å; V638-F644 HydrophobicContact CG1-CG 3.74Å; V638-F644 HydrophobicContact CG1-CZ 4.34Å; V638-F644 HydrophobicContact CG2-CE1 4.34Å; V638-F644 HydrophobicContact CG2-CE2 4.48Å; V638-F644 HydrophobicContact CG2-CZ 4.2Å | ||
| 639 | S | 84.7 | Confident | 89.9 | Confident | 73 Ų | 73 | 55.9 Ų | 55.9 | 51% | 0.51 | 33% | 0.327 | S | S | . | . | trans | -107.3 | 158.1 | 179 | 59.8 | 0 | 0 | 0 | 0 | 112.8 | T637 Y641 | T637-S639 PolarHBondContact O-N 3.43Å; S639-Y641 WeakPolarHBondContact O-CD2 3.43Å; S639-Y641 WeakPolarHBondContact O-CE2 3.42Å | ||
| 640 | G | 80.7 | Confident | 89.9 | Confident | 73 Ų | 73 | 58.5 Ų | 58.5 | 75% | 0.753 | 35% | 0.347 | S | S | * | . | S | Bend | trans | 93.7 | 5.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 641 | Y | 85.1 | Confident | 89.9 | Confident | 50 Ų | 50 | 59.8 Ų | 59.8 | 20% | 0.196 | 36% | 0.355 | C | S | . | . | trans | -110.7 | 145.9 | -179.8 | -58.5 | -75.8 | 0 | 0 | 0 | 111.7 | Y557 I559 V638 S639 T643 D896 | Y557-Y641 HydrophobicContact CD1-CE1 4.29Å; Y557-Y641 HydrophobicContact CD2-CD1 4.08Å; Y557-Y641 AromaticContact CD2-CE1 3.51Å; Y557-Y641 HydrophobicContact CD2-CE1 3.51Å; Y557-Y641 AromaticContact CE2-CE1 4Å; Y557-Y641 HydrophobicContact CE2-CE1 4Å; Y557-Y641 AromaticContact CG-CE1 3.66Å; Y557-Y641 HydrophobicContact CG-CE1 3.66Å; I559-Y641 HydrophobicContact CD1-CD1 4.42Å; I559-Y641 HydrophobicContact CD1-CD2 3.68Å; I559-Y641 HydrophobicContact CD1-CE1 4.16Å; I559-Y641 HydrophobicContact CD1-CE2 3.38Å; I559-Y641 HydrophobicContact CD1-CG 4.21Å; I559-Y641 HydrophobicContact CG1-CE2 4.43Å; V638-Y641 HydrophobicContact CG1-CD2 3.97Å; V638-Y641 HydrophobicContact CG1-CE2 4.31Å; S639-Y641 WeakPolarHBondContact O-CD2 3.43Å; S639-Y641 WeakPolarHBondContact O-CE2 3.42Å; Y641-T643 WeakPolarHBondContact CB-O 3.35Å; Y641-D896 VanDerWaalsContact OH-CB 3.27Å; Y641-D896 WeakPolarHBondContact OH-CB 3.49Å; Y641-D896 PolarHBondContact OH-OD2 2.96Å | ||
| 642 | T | 80.6 | Confident | 90 | Very high | 80 Ų | 80 | 62.7 Ų | 62.7 | 49% | 0.491 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -71.4 | -35.6 | 174.3 | -46.6 | 0 | 0 | 0 | 0 | 111.3 | T539 L541 | T539-T642 WeakPolarHBondContact O-CA 3.46Å; T539-T642 WeakPolarHBondContact O-CB 3.5Å; T539-T642 PolarHBondContact O-N 3.22Å; L541-T642 HydrophobicContact CB-CG2 4.25Å; L541-T642 HydrophobicContact CD1-CG2 4.08Å; L541-T642 HydrophobicContact CG-CG2 4.23Å; L541-T642 PolarHBondContact N-OG1 3.24Å |
| 643 | T | 85 | Confident | 90.1 | Very high | 75 Ų | 75 | 62.6 Ų | 62.6 | 46% | 0.46 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 150.1 | 170.2 | 63 | 0 | 0 | 0 | 0 | 110.5 | G538 T539 Y641 | G538-T643 CarbonylContact C-O 3.49Å; G538-T643 WeakPolarHBondContact CA-O 3.29Å; T539-T643 WeakPolarHBondContact CB-OG1 3.44Å; T539-T643 PolarHBondContact N-O 2.59Å; T539-T643 PolarHBondContact O-N 3.1Å; T539-T643 VanDerWaalsContact O-N 3.09Å; Y641-T643 WeakPolarHBondContact CB-O 3.35Å |
| 644 | F | 88.3 | Confident | 90.1 | Very high | 39 Ų | 39 | 66.9 Ų | 66.9 | 17% | 0.171 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 126.5 | 169.5 | 173.4 | -112 | 0 | 0 | 0 | 110.1 | L534 K537 I559 R635 V638 A646 | L534-F644 HydrophobicContact CD2-CE1 4.24Å; L534-F644 HydrophobicContact CD2-CZ 4.25Å; L534-F644 HydrophobicContact CG-CZ 4.4Å; K537-F644 WeakPolarHBondContact O-CA 3.48Å; I559-F644 HydrophobicContact CB-CE2 4.16Å; I559-F644 HydrophobicContact CD1-CD2 3.97Å; I559-F644 HydrophobicContact CD1-CE2 4.16Å; I559-F644 HydrophobicContact CG2-CE2 4.19Å; R635-F644 HydrophobicContact CG-CD1 4.48Å; R635-F644 HydrophobicContact CG-CE1 4.28Å; V638-F644 HydrophobicContact CB-CD1 4.48Å; V638-F644 HydrophobicContact CG1-CB 4.23Å; V638-F644 HydrophobicContact CG1-CD1 4.14Å; V638-F644 HydrophobicContact CG1-CD2 3.65Å; V638-F644 HydrophobicContact CG1-CE1 4.43Å; V638-F644 HydrophobicContact CG1-CE2 3.95Å; V638-F644 HydrophobicContact CG1-CG 3.74Å; V638-F644 HydrophobicContact CG1-CZ 4.34Å; V638-F644 HydrophobicContact CG2-CE1 4.34Å; V638-F644 HydrophobicContact CG2-CE2 4.48Å; V638-F644 HydrophobicContact CG2-CZ 4.2Å; F644-A646 HydrophobicContact CE1-CB 4.04Å; F644-A646 HydrophobicContact CZ-CB 4.4Å |
| 645 | T | 90.9 | Very high | 90.2 | Very high | 97 Ų | 97 | 71.9 Ų | 71.9 | 60% | 0.595 | 41% | 0.413 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109 | 112.9 | 172.3 | -55.3 | 0 | 0 | 0 | 0 | 108.3 | G536 K537 | G536-T645 CarbonylContact C-O 3.56Å; G536-T645 WeakPolarHBondContact CA-O 3.36Å; K537-T645 PolarHBondContact N-O 2.66Å; K537-T645 PolarHBondContact O-N 2.89Å |
| 646 | A | 88.4 | Confident | 90.3 | Very high | 48 Ų | 48 | 68.9 Ų | 68.9 | 40% | 0.397 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.2 | 140.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | L534 F644 | L534-A646 HydrophobicContact CD1-CB 4.06Å; F644-A646 HydrophobicContact CE1-CB 4.04Å; F644-A646 HydrophobicContact CZ-CB 4.4Å |
| 647 | G | 89.8 | Confident | 90.5 | Very high | 39 Ų | 39 | 68 Ų | 68 | 40% | 0.402 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | -131.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | T535 | T535-G647 WeakPolarHBondContact O-CA 3.36Å; T535-G647 PolarHBondContact O-N 2.8Å |
| 648 | N | 92.4 | Very high | 90.7 | Very high | 135 Ų | 135 | 69.3 Ų | 69.3 | 72% | 0.722 | 41% | 0.406 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 137 | 176.5 | -67.1 | -3.7 | 0 | 0 | 0 | 110.5 | T535 | T535-N648 PolarHBondContact N-O 2.81Å; T535-N648 PolarHBondContact OG1-N 3.32Å; T535-N648 PolarHBondContact OG1-O 2.84Å |
| 649 | K | 92.9 | Very high | 90.9 | Very high | 112 Ų | 112 | 71.4 Ų | 71.4 | 49% | 0.487 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 142.5 | 177.7 | 64.8 | -157 | -171.3 | 93.2 | 0 | 108.4 | N533 L534 E631 | N533-K649 WeakPolarHBondContact O-CA 3.47Å; L534-K649 HydrophobicContact CD1-CB 4.24Å; E631-K649 VanDerWaalsContact OE1-CD 3.29Å; E631-K649 WeakPolarHBondContact OE1-CD 3.38Å; E631-K649 WeakPolarHBondContact OE1-CE 3.34Å; E631-K649 VanDerWaalsContact OE1-CG 3.32Å; E631-K649 WeakPolarHBondContact OE1-CG 3.13Å; E631-K649 IonicContact OE1-NZ 3.44Å; E631-K649 PolarHBondContact OE1-NZ 3.13Å; E631-K649 WeakPolarHBondContact OE2-CD 3.42Å; E631-K649 IonicContact OE2-NZ 3.2Å; E631-K649 PolarHBondContact OE2-NZ 2.91Å |
| 650 | S | 94.8 | Very high | 91.3 | Very high | 63 Ų | 63 | 68.1 Ų | 68.1 | 44% | 0.441 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 138.1 | 168.6 | 61 | 0 | 0 | 0 | 0 | 109 | G532 N533 | G532-S650 CarbonylContact C-O 3.5Å; G532-S650 VanDerWaalsContact CA-O 3.31Å; G532-S650 WeakPolarHBondContact CA-O 3.07Å; N533-S650 PolarHBondContact N-O 2.88Å; N533-S650 PolarHBondContact ND2-OG 3.37Å; N533-S650 VanDerWaalsContact ND2-OG 3.08Å; N533-S650 PolarHBondContact O-N 3.16Å; N533-S650 PolarHBondContact OD1-N 3.04Å; N533-S650 VanDerWaalsContact OD1-N 3.07Å; N533-S650 PolarHBondContact OD1-OG 2.95Å |
| 651 | V | 96.4 | Very high | 92 | Very high | 27 Ų | 27 | 65 Ų | 65 | 16% | 0.164 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 140.2 | 173.5 | -177.2 | 0 | 0 | 0 | 0 | 107 | T530 A531 T627 T630 E631 | T530-V651 HydrophobicContact CG2-CG1 4.47Å; A531-V651 CarbonylContact O-C 3.52Å; A531-V651 WeakPolarHBondContact O-CA 3.34Å; T627-V651 HydrophobicContact CG2-CB 4.1Å; T627-V651 HydrophobicContact CG2-CG2 4.13Å; T630-V651 HydrophobicContact CG2-CG1 3.89Å; T630-V651 HydrophobicContact CG2-CG2 3.95Å; E631-V651 HydrophobicContact CG-CG2 3.87Å |
| 652 | N | 96.4 | Very high | 92.4 | Very high | 93 Ų | 93 | 62.7 Ų | 62.7 | 50% | 0.497 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 140.8 | 169.6 | -172.3 | 46 | 0 | 0 | 0 | 108.9 | T530 A531 E654 | T530-N652 CarbonylContact C-O 3.59Å; T530-N652 WeakPolarHBondContact CA-O 3.3Å; T530-N652 WeakPolarHBondContact CB-O 3.39Å; A531-N652 PolarHBondContact N-O 2.86Å; A531-N652 PolarHBondContact O-N 2.87Å; N652-E654 PolarHBondContact ND2-OE1 3.44Å |
| 653 | V | 94.9 | Very high | 93 | Very high | 36 Ų | 36 | 58.9 Ų | 58.9 | 22% | 0.218 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 111.3 | 169.2 | -174.6 | 0 | 0 | 0 | 0 | 107.3 | T530 E623 L626 Q656 | T530-V653 HydrophobicContact CG2-CG2 4.14Å; E623-V653 HydrophobicContact CG-CG2 4.2Å; L626-V653 HydrophobicContact CD1-CG1 4.41Å; L626-V653 HydrophobicContact CD1-CG2 4.17Å; V653-Q656 HydrophobicContact CG1-CB 4.18Å |
| 654 | E | 94.2 | Very high | 93.4 | Very high | 109 Ų | 109 | 55.3 Ų | 55.3 | 51% | 0.509 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | -32.5 | -176.4 | -60.3 | -77.9 | 133.7 | 0 | 0 | 111.5 | E529 A531 N652 | E529-E654 PolarHBondContact O-N 3.12Å; A531-E654 HydrophobicContact CB-CG 3.72Å; N652-E654 PolarHBondContact ND2-OE1 3.44Å |
| 655 | K | 95 | Very high | 93.4 | Very high | 105 Ų | 105 | 53.6 Ų | 53.6 | 46% | 0.457 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 142.5 | 175.8 | -165.4 | -174.5 | -176.8 | -131.8 | 0 | 110 | A528 E529 D657 | A528-K655 CarbonylContact C-O 3.45Å; A528-K655 VanDerWaalsContact CA-O 3.3Å; A528-K655 WeakPolarHBondContact CA-O 3.42Å; E529-K655 HydrophobicContact CB-CB 4.21Å; E529-K655 PolarHBondContact N-O 3.22Å; E529-K655 PolarHBondContact O-N 2.96Å; E529-K655 VanDerWaalsContact O-N 3.1Å; K655-D657 WeakPolarHBondContact CE-OD1 3.16Å; K655-D657 WeakPolarHBondContact CE-OD2 3.3Å; K655-D657 IonicContact NZ-OD1 3.97Å; K655-D657 PolarHBondContact NZ-OD1 3.41Å; K655-D657 IonicContact NZ-OD2 3.98Å; K655-D657 PolarHBondContact NZ-OD2 2.93Å |
| 656 | Q | 94.8 | Very high | 93.2 | Very high | 64 Ų | 64 | 49.5 Ų | 49.5 | 30% | 0.299 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 120.5 | 171.6 | -175.4 | -179.2 | -34.5 | 0 | 0 | 109.1 | V526 V653 N658 | V526-Q656 HydrophobicContact CG1-CG 3.53Å; V653-Q656 HydrophobicContact CG1-CB 4.18Å; Q656-N658 PolarHBondContact NE2-ND2 3.44Å; Q656-N658 PolarHBondContact NE2-OD1 3.04Å |
| 657 | D | 95.2 | Very high | 92.8 | Very high | 60 Ų | 60 | 49 Ų | 49 | 32% | 0.321 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 130 | 171.7 | -56.8 | -61.9 | 0 | 0 | 0 | 108.3 | V526 D527 K655 | V526-D657 WeakPolarHBondContact CA-O 3.23Å; D527-D657 PolarHBondContact N-O 3.35Å; D527-D657 PolarHBondContact O-N 3.17Å; K655-D657 WeakPolarHBondContact CE-OD1 3.16Å; K655-D657 WeakPolarHBondContact CE-OD2 3.3Å; K655-D657 IonicContact NZ-OD1 3.97Å; K655-D657 PolarHBondContact NZ-OD1 3.41Å; K655-D657 IonicContact NZ-OD2 3.98Å; K655-D657 PolarHBondContact NZ-OD2 2.93Å |
| 658 | N | 94.6 | Very high | 92 | Very high | 55 Ų | 55 | 47.4 Ų | 47.4 | 29% | 0.294 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 123.7 | -175.7 | -59.6 | -63.5 | 0 | 0 | 0 | 109.8 | W524 V526 I615 Q656 | W524-N658 HydrophobicContact CE3-CB 4.43Å; V526-N658 WeakPolarHBondContact CG2-OD1 3.43Å; I615-N658 HydrophobicContact CD1-CB 4.28Å; I615-N658 HydrophobicContact CG1-CB 4.02Å; Q656-N658 PolarHBondContact NE2-ND2 3.44Å; Q656-N658 PolarHBondContact NE2-OD1 3.04Å |
| 659 | H | 93.9 | Very high | 90.7 | Very high | 66 Ų | 66 | 43.9 Ų | 43.9 | 31% | 0.306 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 126.2 | -179.7 | -64.7 | -59.5 | 0 | 0 | 0 | 110.8 | V525 M661 | V525-H659 PolarHBondContact N-O 3.4Å; V525-H659 PolarHBondContact O-N 3Å; H659-M661 HydrophobicContact CB-CE 3.65Å; H659-M661 HydrophobicContact CB-CG 4.36Å |
| 660 | Y | 93.6 | Very high | 89.3 | Confident | 5 Ų | 5 | 39.6 Ų | 39.6 | 2% | 0.02 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 118.3 | 171.4 | 174.9 | -150.9 | 0 | 0 | 0 | 109.1 | F474 P476 N477 K478 P522 R611 L662 | F474-Y660 WeakPolarHBondContact O-CE1 3.11Å; P476-Y660 HydrophobicContact CB-CD1 4.25Å; P476-Y660 HydrophobicContact CB-CE1 4.1Å; P476-Y660 HydrophobicContact CG-CE1 3.88Å; N477-Y660 WeakPolarHBondContact CB-O 3.25Å; N477-Y660 PolarHBondContact N-O 3.05Å; N477-Y660 PolarHBondContact OD1-N 3.42Å; K478-Y660 PolarHBondContact N-O 2.92Å; P522-Y660 HydrophobicContact CB-CD2 4.47Å; P522-Y660 HydrophobicContact CB-CE2 3.44Å; P522-Y660 VanDerWaalsContact CB-CE2 3.44Å; R611-Y660 HydrophobicContact CB-CE2 4.38Å; R611-Y660 HydrophobicContact CG-CE1 4.31Å; R611-Y660 HydrophobicContact CG-CE2 4.45Å; Y660-L662 HydrophobicContact CE2-CD2 4.38Å |
| 661 | M | 94.4 | Very high | 87.8 | Confident | 8 Ų | 8 | 41.5 Ų | 41.5 | 4% | 0.039 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 146.5 | -178.5 | -54.3 | -158.6 | -174.6 | 0 | 0 | 112.8 | K478 Y523 V525 I592 A595 H659 L663 | K478-M661 HydrophobicContact CB-CE 4.34Å; K478-M661 HydrophobicContact CB-CG 4.05Å; K478-M661 HydrophobicContact CB-SD 4.02Å; K478-M661 HydrophobicContact CD-CE 3.97Å; K478-M661 VanDerWaalsContact O-CA 3.28Å; K478-M661 WeakPolarHBondContact O-CA 3.14Å; Y523-M661 PolarHBondContact N-O 2.8Å; Y523-M661 PolarHBondContact O-N 3.46Å; V525-M661 HydrophobicContact CB-CE 3.95Å; V525-M661 HydrophobicContact CB-CG 4.32Å; V525-M661 HydrophobicContact CB-SD 4.18Å; V525-M661 HydrophobicContact CG1-CE 4.05Å; V525-M661 HydrophobicContact CG2-CB 4.26Å; V525-M661 HydrophobicContact CG2-CE 4.18Å; V525-M661 HydrophobicContact CG2-CG 3.9Å; V525-M661 HydrophobicContact CG2-SD 3.73Å; I592-M661 HydrophobicContact CG2-CE 4.3Å; I592-M661 HydrophobicContact CG2-SD 4.29Å; A595-M661 HydrophobicContact CB-SD 4.01Å; H659-M661 HydrophobicContact CB-CE 3.65Å; H659-M661 HydrophobicContact CB-CG 4.36Å; M661-L663 HydrophobicContact CB-CD2 4.17Å |
| 662 | L | 93.1 | Very high | 86.1 | Confident | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 122.4 | 166.7 | -72 | -175.9 | 0 | 0 | 0 | 110.5 | P476 K478 V479 L480 Y520 F521 P522 F598 L603 Y660 | P476-L662 HydrophobicContact CB-CD1 4.44Å; P476-L662 HydrophobicContact CB-CG 4.08Å; P476-L662 HydrophobicContact CG-CD1 3.66Å; P476-L662 HydrophobicContact CG-CD2 4.43Å; P476-L662 HydrophobicContact CG-CG 3.68Å; K478-L662 PolarHBondContact O-N 2.85Å; V479-L662 WeakPolarHBondContact CA-O 3.44Å; V479-L662 HydrophobicContact CB-CB 4.29Å; V479-L662 HydrophobicContact CG2-CB 4Å; L480-L662 PolarHBondContact N-O 3.49Å; Y520-L662 HydrophobicContact CD1-CB 4.03Å; Y520-L662 HydrophobicContact CG-CB 4.34Å; F521-L662 WeakPolarHBondContact O-CA 3.39Å; P522-L662 HydrophobicContact CB-CD2 4.16Å; F598-L662 HydrophobicContact CD2-CD1 4.34Å; F598-L662 HydrophobicContact CE2-CD1 3.89Å; L603-L662 HydrophobicContact CD2-CD1 3.81Å; Y660-L662 HydrophobicContact CE2-CD2 4.38Å |
| 663 | L | 94 | Very high | 84.6 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 145 | -177.7 | -52.7 | -176.4 | 0 | 0 | 0 | 112.1 | L480 F521 Y523 T571 F590 I592 M661 | L480-L663 HydrophobicContact CB-CD2 3.68Å; L480-L663 HydrophobicContact CD2-CD2 4.23Å; F521-L663 PolarHBondContact N-O 3.34Å; F521-L663 PolarHBondContact O-N 3.5Å; Y523-L663 HydrophobicContact CD1-CD1 4.14Å; Y523-L663 HydrophobicContact CD2-CB 3.67Å; Y523-L663 HydrophobicContact CD2-CD1 3.51Å; Y523-L663 HydrophobicContact CD2-CG 3.59Å; Y523-L663 HydrophobicContact CE2-CB 3.71Å; Y523-L663 HydrophobicContact CE2-CD1 3.94Å; Y523-L663 HydrophobicContact CE2-CG 4.11Å; Y523-L663 HydrophobicContact CG-CD1 3.6Å; Y523-L663 HydrophobicContact CG-CG 4.1Å; T571-L663 HydrophobicContact CG2-CD1 3.82Å; F590-L663 HydrophobicContact CB-CD1 4.22Å; F590-L663 HydrophobicContact CD1-CB 4.34Å; F590-L663 HydrophobicContact CD2-CB 4.34Å; F590-L663 HydrophobicContact CD2-CD1 3.49Å; F590-L663 VanDerWaalsContact CD2-CD1 3.49Å; F590-L663 HydrophobicContact CE1-CB 4.27Å; F590-L663 HydrophobicContact CE2-CB 4.27Å; F590-L663 HydrophobicContact CE2-CD1 3.96Å; F590-L663 HydrophobicContact CG-CB 4.38Å; F590-L663 HydrophobicContact CG-CD1 3.89Å; F590-L663 HydrophobicContact CZ-CB 4.23Å; I592-L663 HydrophobicContact CD1-CD1 4Å; I592-L663 HydrophobicContact CD1-CD2 4Å; M661-L663 HydrophobicContact CB-CD2 4.17Å |
| 664 | P | 93.4 | Very high | 82.9 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 119.5 | -164.5 | 34.3 | -32.8 | 0 | 0 | 0 | 112.6 | L480 F482 Y520 F590 G684 | L480-P664 HydrophobicContact CD2-CG 4.34Å; L480-P664 HydrophobicContact CG-CG 4.22Å; L480-P664 VanDerWaalsContact O-CD 3.23Å; L480-P664 WeakPolarHBondContact O-CD 3.46Å; L480-P664 VanDerWaalsContact O-CG 3.28Å; L480-P664 WeakPolarHBondContact O-CG 3.42Å; F482-P664 HydrophobicContact CB-CB 4.43Å; F482-P664 HydrophobicContact CD1-CB 3.71Å; F482-P664 HydrophobicContact CD2-CB 3.5Å; F482-P664 VanDerWaalsContact CD2-CB 3.5Å; F482-P664 HydrophobicContact CE1-CB 3.7Å; F482-P664 HydrophobicContact CE2-CB 3.47Å; F482-P664 VanDerWaalsContact CE2-CB 3.47Å; F482-P664 HydrophobicContact CG-CB 3.61Å; F482-P664 HydrophobicContact CZ-CB 3.58Å; Y520-P664 HydrophobicContact CE1-CB 4.18Å; F590-P664 WeakPolarHBondContact CE1-O 3.45Å; P664-G684 PolarHBondContact O-N 2.98Å; P664-G684 VanDerWaalsContact O-N 3.08Å |
| 665 | V | 88.3 | Confident | 81 | Confident | 2 Ų | 2 | 48.6 Ų | 48.6 | 1% | 0.012 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 128 | 179.4 | -173.6 | 0 | 0 | 0 | 0 | 110.8 | V519 F521 V587 F590 L667 A681 | V519-V665 PolarHBondContact N-O 2.86Å; V519-V665 PolarHBondContact O-N 3.47Å; F521-V665 HydrophobicContact CB-CG2 4.35Å; F521-V665 HydrophobicContact CD2-CB 3.74Å; F521-V665 HydrophobicContact CD2-CG1 4.47Å; F521-V665 HydrophobicContact CD2-CG2 3.71Å; F521-V665 HydrophobicContact CE2-CB 4Å; F521-V665 HydrophobicContact CE2-CG1 4.31Å; F521-V665 HydrophobicContact CE2-CG2 4.35Å; F521-V665 HydrophobicContact CG-CG2 4.23Å; V587-V665 HydrophobicContact CG1-CG1 4.36Å; V587-V665 HydrophobicContact CG2-CG2 4.2Å; F590-V665 HydrophobicContact CZ-CG2 4.11Å; V665-L667 HydrophobicContact CG1-CD2 3.76Å; V665-L667 HydrophobicContact CG1-CG 4.39Å; V665-A681 HydrophobicContact CG1-CB 3.95Å |
| 666 | W | 87 | Confident | 79.2 | Confident | 12 Ų | 12 | 49.4 Ų | 49.4 | 5% | 0.045 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 122.6 | 166.2 | -73.3 | 112 | 0 | 0 | 0 | 109.6 | F482 I484 R486 A489 M516 G518 F606 A681 M682 | F482-W666 HydrophobicContact CD1-CD2 4.35Å; F482-W666 AromaticContact CD1-CE2 3.6Å; F482-W666 AromaticContact CD1-CZ2 3.79Å; F482-W666 HydrophobicContact CD1-CZ2 3.79Å; F482-W666 AromaticContact CD1-NE1 3.48Å; F482-W666 AromaticContact CE1-CD1 3.94Å; F482-W666 AromaticContact CE1-CD2 3.92Å; F482-W666 HydrophobicContact CE1-CD2 3.92Å; F482-W666 AromaticContact CE1-CE2 3.65Å; F482-W666 HydrophobicContact CE1-CG 4.09Å; F482-W666 HydrophobicContact CE1-CZ2 4.08Å; F482-W666 AromaticContact CE1-NE1 3.68Å; I484-W666 WeakPolarHBondContact O-CZ2 2.95Å; I484-W666 PolarHBondContact O-NE1 3.26Å; R486-W666 HydrophobicContact CB-CH2 3.61Å; R486-W666 HydrophobicContact CB-CZ2 4.17Å; R486-W666 HydrophobicContact CB-CZ3 4Å; R486-W666 HydrophobicContact CG-CH2 4.21Å; R486-W666 HydrophobicContact CG-CZ3 4.07Å; A489-W666 HydrophobicContact CB-CD2 3.94Å; A489-W666 HydrophobicContact CB-CG 3.8Å; M516-W666 HydrophobicContact CG-CB 4.35Å; M516-W666 HydrophobicContact CG-CD2 4.43Å; M516-W666 HydrophobicContact CG-CE3 3.79Å; M516-W666 HydrophobicContact SD-CB 4.14Å; M516-W666 HydrophobicContact SD-CD2 4.22Å; M516-W666 HydrophobicContact SD-CE3 4.09Å; M516-W666 HydrophobicContact SD-CG 4.27Å; G518-W666 VanDerWaalsContact CA-CE3 3.42Å; G518-W666 VanDerWaalsContact CA-CZ3 3.42Å; F606-W666 HydrophobicContact CE1-CH2 4.03Å; F606-W666 HydrophobicContact CE1-CZ2 4.27Å; W666-A681 CarbonylContact O-C 3.54Å; W666-A681 WeakPolarHBondContact O-CA 3.25Å; W666-M682 HydrophobicContact CB-CB 4.42Å; W666-M682 HydrophobicContact CB-CE 4.27Å; W666-M682 HydrophobicContact CG-CE 4.38Å; W666-M682 PolarHBondContact N-O 3.17Å; W666-M682 PolarHBondContact O-N 3.04Å |
| 667 | L | 79.4 | Confident | 77.4 | Confident | 36 Ų | 36 | 48.5 Ų | 48.5 | 19% | 0.188 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 140.2 | 175.9 | -62.7 | -174.8 | 0 | 0 | 0 | 111.3 | M516 T517 V519 F521 V665 Y680 A681 | M516-L667 CarbonylContact C-O 3.5Å; M516-L667 WeakPolarHBondContact CA-O 3.33Å; T517-L667 PolarHBondContact N-O 2.93Å; T517-L667 PolarHBondContact O-N 3.16Å; V519-L667 HydrophobicContact CB-CD1 4.38Å; V519-L667 HydrophobicContact CG2-CD1 3.78Å; V519-L667 HydrophobicContact CG2-CG 4.12Å; F521-L667 HydrophobicContact CE2-CD1 3.9Å; F521-L667 HydrophobicContact CE2-CD2 4.24Å; F521-L667 HydrophobicContact CE2-CG 4.2Å; F521-L667 HydrophobicContact CZ-CD1 3.96Å; F521-L667 HydrophobicContact CZ-CD2 4.37Å; V665-L667 HydrophobicContact CG1-CD2 3.76Å; V665-L667 HydrophobicContact CG1-CG 4.39Å; L667-Y680 WeakPolarHBondContact CA-O 3.4Å; L667-A681 HydrophobicContact CD2-CB 3.77Å |
| 668 | V | 73.6 | Confident | 76 | Confident | 6 Ų | 6 | 50.7 Ų | 50.7 | 4% | 0.036 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 135 | 166.5 | -179.2 | 0 | 0 | 0 | 0 | 108.3 | F493 M516 Y679 Y680 | F493-V668 HydrophobicContact CE1-CG1 4.36Å; F493-V668 HydrophobicContact CE1-CG2 4.37Å; F493-V668 HydrophobicContact CZ-CG1 4.39Å; M516-V668 HydrophobicContact CB-CG2 3.82Å; M516-V668 HydrophobicContact CE-CG2 3.42Å; M516-V668 VanDerWaalsContact CE-CG2 3.42Å; M516-V668 HydrophobicContact CG-CG2 3.75Å; M516-V668 HydrophobicContact SD-CG2 4.4Å; V668-Y679 WeakPolarHBondContact O-CA 3.28Å; V668-Y680 HydrophobicContact CG2-CD1 4.45Å; V668-Y680 PolarHBondContact N-O 3.05Å; V668-Y680 PolarHBondContact O-N 2.68Å |
| 669 | T | 65.6 | Low | 74.7 | Confident | 62 Ų | 62 | 51.6 Ų | 51.6 | 38% | 0.38 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 127.2 | 172 | 52.3 | 0 | 0 | 0 | 0 | 110.2 | T677 Y679 | T669-T677 HydrophobicContact CG2-CG2 4.26Å; T669-Y679 HydrophobicContact CG2-CD1 3.66Å; T669-Y679 HydrophobicContact CG2-CE1 3.6Å |
| 670 | Y | 63.2 | Low | 73.7 | Confident | 21 Ų | 21 | 49.8 Ų | 49.8 | 8% | 0.082 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 123.3 | 174.9 | 167.8 | -101.3 | 0 | 0 | 0 | 108.7 | F507 D672 T677 Y678 | F507-Y670 HydrophobicContact CB-CD2 4Å; F507-Y670 HydrophobicContact CB-CE2 3.76Å; F507-Y670 AromaticContact CD2-CD1 3.67Å; F507-Y670 HydrophobicContact CD2-CD1 3.67Å; F507-Y670 AromaticContact CD2-CD2 3.4Å; F507-Y670 HydrophobicContact CD2-CD2 3.4Å; F507-Y670 HydrophobicContact CD2-CE1 4.06Å; F507-Y670 AromaticContact CD2-CE2 3.84Å; F507-Y670 HydrophobicContact CD2-CE2 3.84Å; F507-Y670 AromaticContact CD2-CG 3.32Å; F507-Y670 HydrophobicContact CD2-CG 3.32Å; F507-Y670 HydrophobicContact CE2-CD1 4.06Å; F507-Y670 HydrophobicContact CE2-CD2 4.15Å; F507-Y670 AromaticContact CE2-CG 3.69Å; F507-Y670 HydrophobicContact CE2-CG 3.69Å; F507-Y670 HydrophobicContact CG-CD2 4Å; F507-Y670 HydrophobicContact CG-CE2 4.23Å; F507-Y670 HydrophobicContact CG-CG 4.34Å; Y670-D672 HydrophobicContact CE1-CB 3.87Å; Y670-T677 CarbonylContact O-C 3.55Å; Y670-T677 WeakPolarHBondContact O-CA 3.42Å; Y670-Y678 AromaticContact CD1-CD2 3.75Å; Y670-Y678 HydrophobicContact CD1-CD2 3.75Å; Y670-Y678 HydrophobicContact CD1-CG 4.14Å; Y670-Y678 HydrophobicContact CE1-CD2 4.15Å; Y670-Y678 PolarHBondContact N-O 2.73Å; Y670-Y678 PolarHBondContact O-N 3.38Å |
| 671 | Q | 61.9 | Low | 72.9 | Confident | 104 Ų | 104 | 50.3 Ų | 50.3 | 49% | 0.486 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 130.4 | 168.8 | -73.2 | -173.5 | -20.8 | 0 | 0 | 109.9 | K676 T677 | Q671-K676 WeakPolarHBondContact CA-O 3.38Å; Q671-T677 HydrophobicContact CG-CG2 4.26Å; Q671-T677 PolarHBondContact NE2-OG1 3.32Å |
| 672 | D | 62.7 | Low | 72.4 | Confident | 34 Ų | 34 | 50.4 Ų | 50.4 | 18% | 0.182 | 27% | 0.265 | C | S | . | . | trans | -80.3 | 173.8 | 171.3 | 77.4 | 1.1 | 0 | 0 | 0 | 111.9 | Y670 S674 K675 K676 Y678 | Y670-D672 HydrophobicContact CE1-CB 3.87Å; D672-S674 PolarHBondContact O-N 3.29Å; D672-S674 VanDerWaalsContact OD1-CA 3.23Å; D672-S674 WeakPolarHBondContact OD1-CA 3.4Å; D672-S674 WeakPolarHBondContact OD1-CB 3.4Å; D672-S674 PolarHBondContact OD1-N 3Å; D672-S674 PolarHBondContact OD1-OG 2.92Å; D672-S674 PolarHBondContact OD2-OG 2.86Å; D672-K675 WeakPolarHBondContact O-CA 3.48Å; D672-K675 PolarHBondContact O-N 3.34Å; D672-K675 PolarHBondContact OD1-N 2.69Å; D672-K676 PolarHBondContact N-O 3.46Å; D672-K676 VanDerWaalsContact N-O 3.17Å; D672-K676 WeakPolarHBondContact OD1-CB 3.47Å; D672-K676 PolarHBondContact OD1-N 3.26Å; D672-Y678 HydrophobicContact CB-CE2 4.23Å | ||
| 673 | A | 63.3 | Low | 72.1 | Confident | 109 Ų | 109 | 50.6 Ų | 50.6 | 90% | 0.901 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -14.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | K675 | A673-K675 VanDerWaalsContact C-N 3.28Š|
| 674 | S | 60.4 | Low | 71.8 | Confident | 97 Ų | 97 | 50.6 Ų | 50.6 | 68% | 0.678 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | 5 | 173.6 | -33.3 | 0 | 0 | 0 | 0 | 112.6 | D672 K676 | D672-S674 PolarHBondContact O-N 3.29Å; D672-S674 VanDerWaalsContact OD1-CA 3.23Å; D672-S674 WeakPolarHBondContact OD1-CA 3.4Å; D672-S674 WeakPolarHBondContact OD1-CB 3.4Å; D672-S674 PolarHBondContact OD1-N 3Å; D672-S674 PolarHBondContact OD1-OG 2.92Å; D672-S674 PolarHBondContact OD2-OG 2.86Å; S674-K676 PolarHBondContact O-N 3.46Å |
| 675 | K | 53.8 | Low | 71.6 | Confident | 174 Ų | 174 | 52.2 Ų | 52.2 | 76% | 0.757 | 27% | 0.273 | S | S | * | . | trans | 59.7 | 21.5 | -168.3 | -56.7 | -171.9 | 176.8 | -172.9 | 0 | 114.1 | D672 A673 T677 | D672-K675 WeakPolarHBondContact O-CA 3.48Å; D672-K675 PolarHBondContact O-N 3.34Å; D672-K675 PolarHBondContact OD1-N 2.69Å; A673-K675 VanDerWaalsContact C-N 3.28Å; K675-T677 PolarHBondContact O-N 3.32Å | ||
| 676 | K | 58.1 | Low | 70.8 | Confident | 122 Ų | 122 | 55.8 Ų | 55.8 | 53% | 0.53 | 30% | 0.295 | S | S | . | . | trans | -82.6 | 117.9 | 177 | -176.5 | 174.4 | 176.7 | 176 | 0 | 109.8 | Q671 D672 S674 Y678 | Q671-K676 WeakPolarHBondContact CA-O 3.38Å; D672-K676 PolarHBondContact N-O 3.46Å; D672-K676 VanDerWaalsContact N-O 3.17Å; D672-K676 WeakPolarHBondContact OD1-CB 3.47Å; D672-K676 PolarHBondContact OD1-N 3.26Å; S674-K676 PolarHBondContact O-N 3.46Å; K676-Y678 HydrophobicContact CB-CE2 4.11Å; K676-Y678 HydrophobicContact CD-CE2 4Å; K676-Y678 HydrophobicContact CG-CD2 4.47Å; K676-Y678 HydrophobicContact CG-CE2 3.87Å; K676-Y678 VanDerWaalsContact O-CD2 3.26Å; K676-Y678 WeakPolarHBondContact O-CD2 3.43Å | ||
| 677 | T | 56.7 | Low | 68.8 | Low | 45 Ų | 45 | 58 Ų | 58 | 28% | 0.276 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 128.8 | 175.4 | -43.7 | 0 | 0 | 0 | 0 | 111.2 | T669 Y670 Q671 K675 Y679 | T669-T677 HydrophobicContact CG2-CG2 4.26Å; Y670-T677 CarbonylContact O-C 3.55Å; Y670-T677 WeakPolarHBondContact O-CA 3.42Å; Q671-T677 HydrophobicContact CG-CG2 4.26Å; Q671-T677 PolarHBondContact NE2-OG1 3.32Å; K675-T677 PolarHBondContact O-N 3.32Å; T677-Y679 HydrophobicContact CG2-CD2 4.26Å; T677-Y679 HydrophobicContact CG2-CE1 4.27Å; T677-Y679 HydrophobicContact CG2-CE2 3.64Å |
| 678 | Y | 65.9 | Low | 66.6 | Low | 105 Ų | 105 | 65.4 Ų | 65.4 | 41% | 0.412 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 143.6 | 166.3 | -64.4 | -101.9 | 0 | 0 | 0 | 107.8 | Y670 D672 K676 | Y670-Y678 AromaticContact CD1-CD2 3.75Å; Y670-Y678 HydrophobicContact CD1-CD2 3.75Å; Y670-Y678 HydrophobicContact CD1-CG 4.14Å; Y670-Y678 HydrophobicContact CE1-CD2 4.15Å; Y670-Y678 PolarHBondContact N-O 2.73Å; Y670-Y678 PolarHBondContact O-N 3.38Å; D672-Y678 HydrophobicContact CB-CE2 4.23Å; K676-Y678 HydrophobicContact CB-CE2 4.11Å; K676-Y678 HydrophobicContact CD-CE2 4Å; K676-Y678 HydrophobicContact CG-CD2 4.47Å; K676-Y678 HydrophobicContact CG-CE2 3.87Å; K676-Y678 VanDerWaalsContact O-CD2 3.26Å; K676-Y678 WeakPolarHBondContact O-CD2 3.43Å |
| 679 | Y | 66.1 | Low | 64.6 | Low | 74 Ų | 74 | 69.8 Ų | 69.8 | 29% | 0.29 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 143.3 | 178.5 | -60.7 | -102.3 | 0 | 0 | 0 | 108.1 | L579 M583 V668 T669 T677 | L579-Y679 HydrophobicContact CB-CE2 4.17Å; L579-Y679 HydrophobicContact CD2-CE2 3.79Å; M583-Y679 VanDerWaalsContact CE-C 3.43Å; M583-Y679 VanDerWaalsContact CE-CB 3.5Å; M583-Y679 WeakPolarHBondContact CE-O 3.39Å; M583-Y679 VanDerWaalsContact SD-O 3.42Å; V668-Y679 WeakPolarHBondContact O-CA 3.28Å; T669-Y679 HydrophobicContact CG2-CD1 3.66Å; T669-Y679 HydrophobicContact CG2-CE1 3.6Å; T677-Y679 HydrophobicContact CG2-CD2 4.26Å; T677-Y679 HydrophobicContact CG2-CE1 4.27Å; T677-Y679 HydrophobicContact CG2-CE2 3.64Å |
| 680 | Y | 73.3 | Confident | 62.8 | Low | 28 Ų | 28 | 72.4 Ų | 72.4 | 11% | 0.11 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 136.3 | 162.6 | 174.6 | -95 | 0 | 0 | 0 | 108.2 | F493 W496 L667 V668 M682 L874 | F493-Y680 HydrophobicContact CB-CE1 4.42Å; F493-Y680 AromaticContact CD2-CD1 3.47Å; F493-Y680 HydrophobicContact CD2-CD1 3.47Å; F493-Y680 VanDerWaalsContact CD2-CD1 3.47Å; F493-Y680 HydrophobicContact CD2-CD2 4.3Å; F493-Y680 AromaticContact CD2-CE1 3.17Å; F493-Y680 HydrophobicContact CD2-CE1 3.17Å; F493-Y680 HydrophobicContact CD2-CE2 4.08Å; F493-Y680 HydrophobicContact CD2-CG 4.02Å; F493-Y680 AromaticContact CD2-CZ 3.51Å; F493-Y680 AromaticContact CE2-CD1 3.36Å; F493-Y680 HydrophobicContact CE2-CD1 3.36Å; F493-Y680 AromaticContact CE2-CD2 3.83Å; F493-Y680 HydrophobicContact CE2-CD2 3.83Å; F493-Y680 AromaticContact CE2-CE1 3.57Å; F493-Y680 HydrophobicContact CE2-CE1 3.57Å; F493-Y680 HydrophobicContact CE2-CE2 4.03Å; F493-Y680 AromaticContact CE2-CG 3.48Å; F493-Y680 HydrophobicContact CE2-CG 3.48Å; F493-Y680 VanDerWaalsContact CE2-CG 3.48Å; F493-Y680 AromaticContact CE2-CZ 3.91Å; F493-Y680 HydrophobicContact CG-CD1 4.4Å; F493-Y680 HydrophobicContact CG-CE1 4.07Å; F493-Y680 HydrophobicContact CZ-CD1 4.23Å; F493-Y680 HydrophobicContact CZ-CG 4.33Å; W496-Y680 HydrophobicContact CD2-CE2 4.48Å; W496-Y680 AromaticContact CE3-CE2 3.85Å; W496-Y680 HydrophobicContact CE3-CE2 3.85Å; W496-Y680 HydrophobicContact CH2-CD2 4.4Å; W496-Y680 AromaticContact CH2-CE2 3.98Å; W496-Y680 HydrophobicContact CH2-CE2 3.98Å; W496-Y680 HydrophobicContact CZ3-CD2 4.02Å; W496-Y680 AromaticContact CZ3-CE2 3.59Å; W496-Y680 HydrophobicContact CZ3-CE2 3.59Å; L667-Y680 WeakPolarHBondContact CA-O 3.4Å; V668-Y680 HydrophobicContact CG2-CD1 4.45Å; V668-Y680 PolarHBondContact N-O 3.05Å; V668-Y680 PolarHBondContact O-N 2.68Å; Y680-M682 HydrophobicContact CE1-CB 3.67Å; Y680-L874 HydrophobicContact CD2-CD2 4.48Å |
| 681 | A | 76.4 | Confident | 61.2 | Low | 17 Ų | 17 | 77.6 Ų | 77.6 | 14% | 0.14 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 137.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | M583 V587 V665 W666 L667 | M583-A681 HydrophobicContact CB-CB 4.48Å; M583-A681 HydrophobicContact CE-CB 3.53Å; V587-A681 HydrophobicContact CG1-CB 3.64Å; V665-A681 HydrophobicContact CG1-CB 3.95Å; W666-A681 CarbonylContact O-C 3.54Å; W666-A681 WeakPolarHBondContact O-CA 3.25Å; L667-A681 HydrophobicContact CD2-CB 3.77Å |
| 682 | M | 83.5 | Confident | 59.5 | Low | 10 Ų | 10 | 81 Ų | 81 | 5% | 0.049 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 136.5 | 176.7 | 179.9 | 175.7 | 74.6 | 0 | 0 | 109.9 | A489 D492 W666 Y680 G684 | A489-M682 VanDerWaalsContact CA-CE 3.41Å; A489-M682 HydrophobicContact CB-CE 3.43Å; A489-M682 VanDerWaalsContact CB-CE 3.43Å; A489-M682 WeakPolarHBondContact O-CE 3.37Å; D492-M682 HydrophobicContact CB-SD 4.29Å; W666-M682 HydrophobicContact CB-CB 4.42Å; W666-M682 HydrophobicContact CB-CE 4.27Å; W666-M682 HydrophobicContact CG-CE 4.38Å; W666-M682 PolarHBondContact N-O 3.17Å; W666-M682 PolarHBondContact O-N 3.04Å; Y680-M682 HydrophobicContact CE1-CB 3.67Å; M682-G684 PolarHBondContact O-N 3.22Å |
| 683 | N | 88.5 | Confident | 57.7 | Low | 4 Ų | 4 | 89.6 Ų | 89.6 | 2% | 0.021 | 48% | 0.483 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.8 | 132.7 | 171.6 | -169.1 | -43.9 | 0 | 0 | 0 | 110.1 | V587 P589 F590 Q685 | V587-N683 HydrophobicContact CB-CB 4.28Å; V587-N683 VanDerWaalsContact O-CB 3.28Å; V587-N683 WeakPolarHBondContact O-CB 3.38Å; V587-N683 PolarHBondContact O-ND2 2.95Å; P589-N683 PolarHBondContact O-ND2 2.84Å; F590-N683 HydrophobicContact CE1-CB 4.41Å; N683-Q685 PolarHBondContact O-N 2.68Å; N683-Q685 WeakPolarHBondContact OD1-CB 3.35Å; N683-Q685 WeakPolarHBondContact OD1-CG 3.32Å; N683-Q685 PolarHBondContact OD1-N 3.24Å |
| 684 | G | 87.4 | Confident | 56.1 | Low | 0 Ų | 0 | 91 Ų | 91 | 0% | 0 | 48% | 0.481 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | 17.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | K483 I484 P664 M682 | K483-G684 PolarHBondContact N-O 3.35Å; I484-G684 WeakPolarHBondContact CB-O 3.42Å; I484-G684 WeakPolarHBondContact CG1-O 3.49Å; I484-G684 PolarHBondContact N-O 3.45Å; P664-G684 PolarHBondContact O-N 2.98Å; P664-G684 VanDerWaalsContact O-N 3.08Å; M682-G684 PolarHBondContact O-N 3.22Å |
| 685 | Q | 88.9 | Confident | 54.6 | Low | 34 Ų | 34 | 91.9 Ų | 91.9 | 16% | 0.159 | 49% | 0.487 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -142.3 | -19.2 | -171.3 | -51.9 | -85.2 | -22.3 | 0 | 0 | 118.4 | P481 P591 N683 | P481-Q685 PolarHBondContact O-NE2 2.85Å; P481-Q685 VanDerWaalsContact O-NE2 3.17Å; P591-Q685 HydrophobicContact CG-CB 4.45Å; P591-Q685 HydrophobicContact CG-CG 3.95Å; N683-Q685 PolarHBondContact O-N 2.68Å; N683-Q685 WeakPolarHBondContact OD1-CB 3.35Å; N683-Q685 WeakPolarHBondContact OD1-CG 3.32Å; N683-Q685 PolarHBondContact OD1-N 3.24Å |
| 686 | T | 71.4 | Confident | 53.4 | Low | 77 Ų | 77 | 88.6 Ų | 88.6 | 47% | 0.472 | 49% | 0.492 | S | S | . | . | trans | -129.7 | -110.6 | -157.8 | 66.5 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 687 | A | 45.7 | Very low | 52.1 | Low | 59 Ų | 59 | 87.6 Ų | 87.6 | 49% | 0.488 | 51% | 0.506 | S | S | . | . | trans | 81.9 | 152.3 | -173.1 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 688 | F | 33.3 | Very low | 51.1 | Low | 192 Ų | 192 | 90.2 Ų | 90.2 | 84% | 0.842 | 53% | 0.527 | S | S | * | . | trans | -169.1 | 145.2 | -162.8 | -133.6 | -96.9 | 0 | 0 | 0 | 121.1 | ||||
| 689 | L | 30.9 | Very low | 50.7 | Low | 97 Ų | 97 | 91 Ų | 91 | 51% | 0.508 | 54% | 0.538 | S | S | . | . | trans | -161.1 | 173 | 176.9 | -69.9 | -178.7 | 0 | 0 | 0 | 119.8 | K499 | K499-L689 HydrophobicContact CB-CD1 4.35Å; K499-L689 HydrophobicContact CD-CD1 3.27Å; K499-L689 HydrophobicContact CG-CD1 4.41Å | ||
| 690 | S | 28.7 | Very low | 51.4 | Low | 118 Ų | 118 | 88.5 Ų | 88.5 | 83% | 0.825 | 53% | 0.531 | S | S | * | . | trans | -160.9 | 164 | -177.6 | -50.8 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 691 | P | 28 | Very low | 52.1 | Low | 129 Ų | 129 | 88.9 Ų | 88.9 | 84% | 0.838 | 54% | 0.536 | S | S | * | . | trans | -141.1 | -172.6 | -175.5 | 41.7 | -20.6 | 0 | 0 | 0 | 122.5 | ||||
| 692 | L | 26.3 | Very low | 52.7 | Low | 177 Ų | 177 | 90.9 Ų | 90.9 | 93% | 0.927 | 54% | 0.544 | S | S | * | . | trans | -151.7 | 167.7 | -170.5 | -80.6 | 160.1 | 0 | 0 | 0 | 118 | ||||
| 693 | K | 26.1 | Very low | 53 | Low | 213 Ų | 213 | 91 Ų | 91 | 93% | 0.926 | 54% | 0.544 | S | S | * | . | trans | -153.1 | 179.8 | 177.8 | -85.4 | -159.7 | 177.2 | -177.7 | 0 | 121 | ||||
| 694 | V | 28.8 | Very low | 53.1 | Low | 139 Ų | 139 | 94.3 Ų | 94.3 | 84% | 0.842 | 56% | 0.56 | S | S | * | * | trans | -154.7 | 164.6 | -149 | -161.8 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 695 | S | 30.1 | Very low | 53.2 | Low | 116 Ų | 116 | 95.1 Ų | 95.1 | 81% | 0.811 | 57% | 0.567 | S | S | * | * | trans | 117.9 | 159.2 | 130.1 | 88.6 | 0 | 0 | 0 | 0 | 127.2 | ||||
| 696 | A | 28.3 | Very low | 53.2 | Low | 105 Ų | 105 | 99 Ų | 99 | 87% | 0.868 | 59% | 0.589 | S | S | * | * | trans | 112.2 | 159.5 | 150.3 | 0 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 697 | A | 30.9 | Very low | 54.1 | Low | 100 Ų | 100 | 97.2 Ų | 97.2 | 83% | 0.826 | 58% | 0.576 | S | S | * | * | trans | -162.9 | 175.5 | -160.8 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 698 | S | 34.3 | Very low | 56.3 | Low | 101 Ų | 101 | 94.8 Ų | 94.8 | 71% | 0.706 | 56% | 0.555 | S | S | * | * | trans | 137.1 | 160 | 137 | 80.5 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 699 | N | 58.9 | Low | 59.1 | Low | 122 Ų | 122 | 88.6 Ų | 88.6 | 65% | 0.652 | 53% | 0.533 | S | S | * | . | trans | 100 | 155.5 | 162 | -102.4 | 25.7 | 0 | 0 | 0 | 121.7 | E730 R754 | N699-E730 VanDerWaalsContact O-OE2 3.1Å; N699-R754 PolarHBondContact O-NH1 2.68Å | ||
| 700 | T | 79.8 | Confident | 61.5 | Low | 21 Ų | 21 | 87.8 Ų | 87.8 | 13% | 0.129 | 53% | 0.533 | C | S | . | . | trans | -146.7 | -5.7 | -162.9 | 52.9 | 0 | 0 | 0 | 0 | 124 | D721 N724 F732 | T700-D721 VanDerWaalsContact CB-OD1 3.3Å; T700-D721 WeakPolarHBondContact CB-OD1 3.47Å; T700-D721 VanDerWaalsContact CG2-OD1 3.22Å; T700-D721 WeakPolarHBondContact CG2-OD1 3.38Å; T700-D721 PolarHBondContact OG1-OD1 2.88Å; T700-N724 VanDerWaalsContact CG2-ND2 3.25Å; T700-N724 WeakPolarHBondContact CG2-ND2 2.99Å; T700-F732 WeakPolarHBondContact O-CA 3.37Å; T700-F732 WeakPolarHBondContact O-CB 3.48Å | ||
| 701 | V | 87.2 | Confident | 64.2 | Low | 36 Ų | 36 | 88.7 Ų | 88.7 | 22% | 0.218 | 52% | 0.524 | C | S | . | . | trans | -144.3 | 143.6 | 169.6 | 176.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 702 | D | 89.7 | Confident | 67.4 | Low | 59 Ų | 59 | 85 Ų | 85 | 32% | 0.316 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 120.1 | 178.9 | -167.8 | 6.5 | 0 | 0 | 0 | 112.4 | Q704 I733 L734 T735 | D702-Q704 WeakPolarHBondContact OD1-CG 3.24Å; D702-Q704 PolarHBondContact OD2-NE2 3.33Å; D702-I733 PolarHBondContact N-O 2.93Å; D702-I733 VanDerWaalsContact O-O 3.09Å; D702-L734 HydrophobicContact CB-CD1 3.98Å; D702-L734 VanDerWaalsContact O-CA 3.25Å; D702-L734 WeakPolarHBondContact O-CA 3.45Å; D702-T735 PolarHBondContact O-N 3.41Å; D702-T735 VanDerWaalsContact O-N 3.13Å |
| 703 | D | 89.9 | Confident | 70.3 | Confident | 11 Ų | 11 | 80.1 Ų | 80.1 | 6% | 0.059 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 80.3 | -175.1 | 177.1 | 37 | 0 | 0 | 0 | 110.1 | N706 L707 L708 R713 T735 | D703-N706 PolarHBondContact OD1-N 2.6Å; D703-N706 WeakPolarHBondContact OD2-CA 3.47Å; D703-L707 PolarHBondContact OD1-N 3.14Å; D703-L707 PolarHBondContact OD2-N 3.46Å; D703-L708 PolarHBondContact OD2-N 3.03Å; D703-R713 HydrophobicContact CB-CG 4.35Å; D703-R713 IonicContact OD2-CZ 3.33Å; D703-R713 IonicContact OD2-NE 2.82Å; D703-R713 PolarHBondContact OD2-NE 3.26Å; D703-R713 IonicContact OD2-NH1 2.66Å; D703-R713 PolarHBondContact OD2-NH1 3.13Å; D703-R713 IonicContact OD2-NH2 3.58Å; D703-R713 PolarHBondContact OD2-NH2 3.42Å; D703-T735 VanDerWaalsContact CA-OG1 3.28Å; D703-T735 WeakPolarHBondContact CA-OG1 3.43Å; D703-T735 WeakPolarHBondContact OD1-CG2 3.27Å; D703-T735 PolarHBondContact OD1-OG1 3.34Å |
| 704 | Q | 90.7 | Very high | 73.1 | Confident | 74 Ų | 74 | 73.9 Ų | 73.9 | 35% | 0.346 | 45% | 0.445 | S | S | . | . | S | Bend | trans | -80.5 | -34 | -173.5 | -48.2 | 177.7 | -7.7 | 0 | 0 | 111.6 | D702 N706 L734 T735 | D702-Q704 WeakPolarHBondContact OD1-CG 3.24Å; D702-Q704 PolarHBondContact OD2-NE2 3.33Å; Q704-N706 PolarHBondContact O-N 3.11Å; Q704-N706 PolarHBondContact O-ND2 3.41Å; Q704-N706 VanDerWaalsContact O-ND2 3.11Å; Q704-L734 HydrophobicContact CG-CD1 3.87Å; Q704-T735 WeakPolarHBondContact CB-O 3.47Å; Q704-T735 PolarHBondContact N-O 2.88Å; Q704-T735 VanDerWaalsContact N-O 3.08Å; Q704-T735 PolarHBondContact N-OG1 2.83Å; Q704-T735 VanDerWaalsContact N-OG1 3.13Å |
| 705 | A | 88.7 | Confident | 76.1 | Confident | 17 Ų | 17 | 71.4 Ų | 71.4 | 14% | 0.14 | 43% | 0.425 | C | S | . | . | S | Bend | trans | -77.9 | -0.1 | 176 | 0 | 0 | 0 | 0 | 0 | 113.7 | L707 T735 D737 M768 | A705-L707 VanDerWaalsContact C-N 3.31Å; A705-L707 HydrophobicContact CB-CD1 4.26Å; A705-L707 HydrophobicContact CB-CD2 4.06Å; A705-L707 HydrophobicContact CB-CG 3.83Å; A705-L707 PolarHBondContact O-N 3.29Å; A705-T735 PolarHBondContact N-O 3.42Å; A705-T735 PolarHBondContact N-OG1 3.24Å; A705-D737 HydrophobicContact CB-CB 4.08Å; A705-M768 HydrophobicContact CB-CG 4.28Å |
| 706 | N | 88.8 | Confident | 79.2 | Confident | 116 Ų | 116 | 65.9 Ų | 65.9 | 62% | 0.62 | 39% | 0.386 | S | S | * | . | trans | 52.8 | 44.4 | -179.9 | -64.6 | -85.3 | 0 | 0 | 0 | 113.3 | D703 Q704 L708 | D703-N706 PolarHBondContact OD1-N 2.6Å; D703-N706 WeakPolarHBondContact OD2-CA 3.47Å; Q704-N706 PolarHBondContact O-N 3.11Å; Q704-N706 PolarHBondContact O-ND2 3.41Å; Q704-N706 VanDerWaalsContact O-ND2 3.11Å; N706-L708 VanDerWaalsContact C-N 3.32Å | ||
| 707 | L | 91.7 | Very high | 82.1 | Confident | 40 Ų | 40 | 62.3 Ų | 62.3 | 21% | 0.209 | 36% | 0.355 | C | S | . | . | trans | -82.4 | -14 | -178.9 | -56.5 | -178.5 | 0 | 0 | 0 | 112.7 | D703 A705 T735 L766 M768 Y806 | D703-L707 PolarHBondContact OD1-N 3.14Å; D703-L707 PolarHBondContact OD2-N 3.46Å; A705-L707 VanDerWaalsContact C-N 3.31Å; A705-L707 HydrophobicContact CB-CD1 4.26Å; A705-L707 HydrophobicContact CB-CD2 4.06Å; A705-L707 HydrophobicContact CB-CG 3.83Å; A705-L707 PolarHBondContact O-N 3.29Å; L707-T735 HydrophobicContact CB-CG2 4.42Å; L707-T735 HydrophobicContact CD1-CG2 3.98Å; L707-T735 HydrophobicContact CG-CG2 4.38Å; L707-L766 HydrophobicContact CD1-CD1 4.49Å; L707-M768 HydrophobicContact CD1-CG 3.77Å; L707-M768 HydrophobicContact CD1-SD 3.8Å; L707-M768 HydrophobicContact CD2-CG 4.29Å; L707-Y806 HydrophobicContact CB-CD2 3.84Å; L707-Y806 HydrophobicContact CB-CG 3.96Å; L707-Y806 HydrophobicContact CD1-CD1 3.9Å; L707-Y806 HydrophobicContact CD1-CD2 4.24Å; L707-Y806 HydrophobicContact CD1-CE1 4.35Å; L707-Y806 HydrophobicContact CD1-CG 3.85Å; L707-Y806 HydrophobicContact CD2-CD2 4.07Å; L707-Y806 HydrophobicContact CD2-CE2 3.99Å; L707-Y806 HydrophobicContact CG-CD2 4.26Å; L707-Y806 HydrophobicContact CG-CG 4.32Å | ||
| 708 | L | 92.1 | Very high | 84.7 | Confident | 7 Ų | 7 | 62.6 Ų | 62.6 | 4% | 0.037 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -124 | 137.9 | -169.3 | -60 | 169.4 | 0 | 0 | 0 | 111.6 | D703 N706 E712 R713 L716 | D703-L708 PolarHBondContact OD2-N 3.03Å; N706-L708 VanDerWaalsContact C-N 3.32Å; L708-E712 HydrophobicContact CB-CB 4.4Å; L708-E712 HydrophobicContact CD2-CB 4.43Å; L708-R713 HydrophobicContact CB-CG 3.76Å; L708-R713 HydrophobicContact CD1-CG 4.2Å; L708-R713 VanDerWaalsContact O-CZ 3.3Å; L708-R713 PolarHBondContact O-NE 3.28Å; L708-R713 VanDerWaalsContact O-NE 3.12Å; L708-R713 PolarHBondContact O-NH2 3.43Å; L708-L716 HydrophobicContact CD1-CD1 3.68Å; L708-L716 HydrophobicContact CD2-CD1 4.14Å |
| 709 | T | 90.7 | Very high | 87.5 | Confident | 62 Ų | 62 | 59.9 Ų | 59.9 | 38% | 0.38 | 32% | 0.318 | S | S | . | . | trans | -63.8 | 158 | 168.7 | 61.5 | 0 | 0 | 0 | 0 | 111.3 | E711 E712 R713 | T709-E711 PolarHBondContact O-N 3.27Å; T709-E712 WeakPolarHBondContact CB-OE2 3.17Å; T709-E712 WeakPolarHBondContact CG2-OE2 3.14Å; T709-E712 PolarHBondContact N-OE2 2.95Å; T709-E712 PolarHBondContact O-N 2.87Å; T709-E712 WeakPolarHBondContact OG1-CB 3.47Å; T709-E712 WeakPolarHBondContact OG1-CG 3.1Å; T709-E712 PolarHBondContact OG1-N 3.13Å; T709-E712 PolarHBondContact OG1-OE2 3.03Å; T709-R713 PolarHBondContact O-N 3.12Å | ||
| 710 | P | 82.6 | Confident | 89 | Confident | 81 Ų | 81 | 54.1 Ų | 54.1 | 53% | 0.526 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -57 | -34.5 | 174.1 | -26 | 35.8 | 0 | 0 | 0 | 113.5 | T714 | P710-T714 WeakPolarHBondContact O-CB 3.29Å; P710-T714 PolarHBondContact O-N 2.85Å; P710-T714 PolarHBondContact O-OG1 3.33Å |
| 711 | E | 85.2 | Confident | 89.3 | Confident | 136 Ų | 136 | 55.6 Ų | 55.6 | 64% | 0.636 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -66 | -50 | 177.2 | -65.9 | 71.5 | -160.5 | 0 | 0 | 111 | T709 R713 T714 E715 | T709-E711 PolarHBondContact O-N 3.27Å; E711-R713 PolarHBondContact O-N 3.41Å; E711-T714 WeakPolarHBondContact O-CB 3.06Å; E711-T714 PolarHBondContact O-N 3.49Å; E711-T714 VanDerWaalsContact O-N 3.14Å; E711-E715 PolarHBondContact O-N 2.82Å |
| 712 | E | 94.5 | Very high | 89.1 | Confident | 51 Ų | 51 | 56.2 Ų | 56.2 | 24% | 0.238 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.3 | -44.1 | 176.3 | -71.4 | 163.4 | 147.9 | 0 | 0 | 111.6 | L708 T709 T714 E715 L716 Y807 | L708-E712 HydrophobicContact CB-CB 4.4Å; L708-E712 HydrophobicContact CD2-CB 4.43Å; T709-E712 WeakPolarHBondContact CB-OE2 3.17Å; T709-E712 WeakPolarHBondContact CG2-OE2 3.14Å; T709-E712 PolarHBondContact N-OE2 2.95Å; T709-E712 PolarHBondContact O-N 2.87Å; T709-E712 WeakPolarHBondContact OG1-CB 3.47Å; T709-E712 WeakPolarHBondContact OG1-CG 3.1Å; T709-E712 PolarHBondContact OG1-N 3.13Å; T709-E712 PolarHBondContact OG1-OE2 3.03Å; E712-T714 VanDerWaalsContact C-N 3.27Å; E712-T714 PolarHBondContact O-N 2.9Å; E712-E715 PolarHBondContact O-N 3.31Å; E712-L716 WeakPolarHBondContact O-CB 3.22Å; E712-L716 VanDerWaalsContact O-CG 3.24Å; E712-L716 WeakPolarHBondContact O-CG 3.4Å; E712-L716 PolarHBondContact O-N 3.23Å; E712-Y807 HydrophobicContact CB-CD2 3.59Å; E712-Y807 HydrophobicContact CB-CE2 3.93Å; E712-Y807 HydrophobicContact CB-CG 4.29Å; E712-Y807 HydrophobicContact CG-CD1 4.33Å; E712-Y807 HydrophobicContact CG-CD2 3.49Å; E712-Y807 VanDerWaalsContact CG-CD2 3.49Å; E712-Y807 HydrophobicContact CG-CE2 3.77Å; E712-Y807 HydrophobicContact CG-CG 3.78Å; E712-Y807 WeakPolarHBondContact OE1-CB 3.24Å |
| 713 | R | 87.6 | Confident | 89.1 | Confident | 76 Ų | 76 | 53.4 Ų | 53.4 | 29% | 0.287 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -57.4 | -40.2 | 173.3 | -79.5 | -177.5 | -100.6 | -158 | -12.3 | 112.4 | D703 L708 T709 E711 S717 | D703-R713 HydrophobicContact CB-CG 4.35Å; D703-R713 IonicContact OD2-CZ 3.33Å; D703-R713 IonicContact OD2-NE 2.82Å; D703-R713 PolarHBondContact OD2-NE 3.26Å; D703-R713 IonicContact OD2-NH1 2.66Å; D703-R713 PolarHBondContact OD2-NH1 3.13Å; D703-R713 IonicContact OD2-NH2 3.58Å; D703-R713 PolarHBondContact OD2-NH2 3.42Å; L708-R713 HydrophobicContact CB-CG 3.76Å; L708-R713 HydrophobicContact CD1-CG 4.2Å; L708-R713 VanDerWaalsContact O-CZ 3.3Å; L708-R713 PolarHBondContact O-NE 3.28Å; L708-R713 VanDerWaalsContact O-NE 3.12Å; L708-R713 PolarHBondContact O-NH2 3.43Å; T709-R713 PolarHBondContact O-N 3.12Å; E711-R713 PolarHBondContact O-N 3.41Å; R713-S717 VanDerWaalsContact O-CB 3.23Å; R713-S717 WeakPolarHBondContact O-CB 3.35Å; R713-S717 PolarHBondContact O-N 3.39Å |
| 714 | T | 85.6 | Confident | 88.9 | Confident | 82 Ų | 82 | 53.5 Ų | 53.5 | 50% | 0.503 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -69.6 | -41.7 | 179.2 | -58.3 | 0 | 0 | 0 | 0 | 111.2 | P710 E711 E712 S717 N718 | P710-T714 WeakPolarHBondContact O-CB 3.29Å; P710-T714 PolarHBondContact O-N 2.85Å; P710-T714 PolarHBondContact O-OG1 3.33Å; E711-T714 WeakPolarHBondContact O-CB 3.06Å; E711-T714 PolarHBondContact O-N 3.49Å; E711-T714 VanDerWaalsContact O-N 3.14Å; E712-T714 VanDerWaalsContact C-N 3.27Å; E712-T714 PolarHBondContact O-N 2.9Å; T714-S717 PolarHBondContact O-N 2.68Å; T714-N718 PolarHBondContact O-N 2.95Å; T714-N718 PolarHBondContact O-ND2 3.19Å |
| 715 | E | 90.5 | Very high | 88.5 | Confident | 87 Ų | 87 | 56.7 Ų | 56.7 | 41% | 0.407 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -64 | -47.6 | 175.6 | -167.7 | -177.1 | 167 | 0 | 0 | 111.5 | E711 E712 S717 N718 Q719 Y807 K811 | E711-E715 PolarHBondContact O-N 2.82Å; E712-E715 PolarHBondContact O-N 3.31Å; E715-S717 PolarHBondContact O-N 3.49Å; E715-N718 PolarHBondContact O-N 2.88Å; E715-Q719 WeakPolarHBondContact O-CB 3.27Å; E715-Q719 PolarHBondContact O-N 3.44Å; E715-Y807 PolarHBondContact OE1-OH 2.67Å; E715-Y807 PolarHBondContact OE2-OH 3.34Å; E715-K811 IonicContact OE1-NZ 2.71Å; E715-K811 PolarHBondContact OE1-NZ 3.34Å; E715-K811 IonicContact OE2-NZ 2.63Å |
| 716 | L | 94.7 | Very high | 88.1 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62.2 | -40.6 | 177.1 | -67.7 | 168.6 | 0 | 0 | 0 | 111.8 | L708 E712 Q719 A720 I733 Y807 K811 L814 | L708-L716 HydrophobicContact CD1-CD1 3.68Å; L708-L716 HydrophobicContact CD2-CD1 4.14Å; E712-L716 WeakPolarHBondContact O-CB 3.22Å; E712-L716 VanDerWaalsContact O-CG 3.24Å; E712-L716 WeakPolarHBondContact O-CG 3.4Å; E712-L716 PolarHBondContact O-N 3.23Å; L716-Q719 PolarHBondContact O-N 3.34Å; L716-A720 VanDerWaalsContact O-CB 3.31Å; L716-A720 WeakPolarHBondContact O-CB 3.15Å; L716-A720 PolarHBondContact O-N 2.8Å; L716-I733 HydrophobicContact CB-CD1 4.44Å; L716-I733 HydrophobicContact CD1-CD1 4.34Å; L716-I733 HydrophobicContact CD2-CD1 4.27Å; L716-Y807 HydrophobicContact CD1-CD2 4.1Å; L716-Y807 HydrophobicContact CD2-CD2 4.49Å; L716-Y807 HydrophobicContact CD2-CE2 4.46Å; L716-Y807 HydrophobicContact CG-CD2 4.29Å; L716-Y807 HydrophobicContact CG-CE2 4.31Å; L716-K811 HydrophobicContact CD2-CB 4.38Å; L716-L814 HydrophobicContact CB-CD1 4.08Å; L716-L814 HydrophobicContact CD2-CD1 3.69Å; L716-L814 VanDerWaalsContact O-CD1 3.29Å; L716-L814 WeakPolarHBondContact O-CD1 3.48Å |
| 717 | S | 89.6 | Confident | 87.8 | Confident | 30 Ų | 30 | 56 Ų | 56 | 21% | 0.21 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64 | -42.9 | 176 | -166.7 | 0 | 0 | 0 | 0 | 112 | R713 T714 E715 Q719 A720 D721 | R713-S717 VanDerWaalsContact O-CB 3.23Å; R713-S717 WeakPolarHBondContact O-CB 3.35Å; R713-S717 PolarHBondContact O-N 3.39Å; T714-S717 PolarHBondContact O-N 2.68Å; E715-S717 PolarHBondContact O-N 3.49Å; S717-Q719 VanDerWaalsContact C-N 3.33Å; S717-Q719 PolarHBondContact O-N 2.9Å; S717-A720 PolarHBondContact O-N 3.37Å; S717-D721 VanDerWaalsContact O-CB 3.29Å; S717-D721 WeakPolarHBondContact O-CB 3.1Å; S717-D721 PolarHBondContact O-N 3.47Å |
| 718 | N | 87 | Confident | 87.5 | Confident | 105 Ų | 105 | 62 Ų | 62 | 56% | 0.561 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -64.8 | -38.1 | 176.2 | -74.6 | -54.8 | 0 | 0 | 0 | 112 | T714 E715 A722 | T714-N718 PolarHBondContact O-N 2.95Å; T714-N718 PolarHBondContact O-ND2 3.19Å; E715-N718 PolarHBondContact O-N 2.88Å; N718-A722 PolarHBondContact O-N 2.89Å |
| 719 | Q | 91.6 | Very high | 87.1 | Confident | 45 Ų | 45 | 62.6 Ų | 62.6 | 21% | 0.21 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -69.3 | -41.5 | 176.9 | -170.7 | -179.4 | 1.2 | 0 | 0 | 111.5 | E715 L716 S717 A722 I723 L814 | E715-Q719 WeakPolarHBondContact O-CB 3.27Å; E715-Q719 PolarHBondContact O-N 3.44Å; L716-Q719 PolarHBondContact O-N 3.34Å; S717-Q719 VanDerWaalsContact C-N 3.33Å; S717-Q719 PolarHBondContact O-N 2.9Å; Q719-A722 PolarHBondContact O-N 2.81Å; Q719-I723 PolarHBondContact O-N 2.73Å; Q719-L814 HydrophobicContact CB-CD1 3.95Å; Q719-L814 HydrophobicContact CG-CB 3.93Å; Q719-L814 HydrophobicContact CG-CD1 4.14Å |
| 720 | A | 90.5 | Very high | 87.1 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.3 | -46.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L716 S717 A722 I723 N724 L814 | L716-A720 VanDerWaalsContact O-CB 3.31Å; L716-A720 WeakPolarHBondContact O-CB 3.15Å; L716-A720 PolarHBondContact O-N 2.8Å; S717-A720 PolarHBondContact O-N 3.37Å; A720-A722 PolarHBondContact O-N 3.01Å; A720-I723 WeakPolarHBondContact O-CB 3.23Å; A720-I723 PolarHBondContact O-N 2.96Å; A720-N724 WeakPolarHBondContact O-CB 3.44Å; A720-N724 PolarHBondContact O-N 3.39Å; A720-N724 PolarHBondContact O-ND2 2.88Å; A720-N724 VanDerWaalsContact O-ND2 3.16Å; A720-N724 PolarHBondContact O-OD1 3.26Å; A720-L814 HydrophobicContact CB-CD1 4.34Å; A720-L814 HydrophobicContact CB-CD2 4.06Å |
| 721 | D | 86.2 | Confident | 87.6 | Confident | 53 Ų | 53 | 57.1 Ų | 57.1 | 28% | 0.283 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -59.2 | -33.6 | 179.9 | -75 | -11.7 | 0 | 0 | 0 | 112.8 | T700 S717 N724 Q725 | T700-D721 VanDerWaalsContact CB-OD1 3.3Å; T700-D721 WeakPolarHBondContact CB-OD1 3.47Å; T700-D721 VanDerWaalsContact CG2-OD1 3.22Å; T700-D721 WeakPolarHBondContact CG2-OD1 3.38Å; T700-D721 PolarHBondContact OG1-OD1 2.88Å; S717-D721 VanDerWaalsContact O-CB 3.29Å; S717-D721 WeakPolarHBondContact O-CB 3.1Å; S717-D721 PolarHBondContact O-N 3.47Å; D721-N724 PolarHBondContact O-N 3.11Å; D721-Q725 WeakPolarHBondContact O-CB 3.09Å; D721-Q725 VanDerWaalsContact O-CG 3.29Å; D721-Q725 WeakPolarHBondContact O-CG 3.38Å; D721-Q725 PolarHBondContact O-N 3.26Å |
| 722 | A | 84.5 | Confident | 88 | Confident | 49 Ų | 49 | 50.8 Ų | 50.8 | 41% | 0.405 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -64.2 | -45.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | N718 Q719 A720 N724 K726 | N718-A722 PolarHBondContact O-N 2.89Å; Q719-A722 PolarHBondContact O-N 2.81Å; A720-A722 PolarHBondContact O-N 3.01Å; A722-N724 VanDerWaalsContact C-N 3.35Å; A722-K726 PolarHBondContact O-N 3.42Å |
| 723 | I | 88.5 | Confident | 88.1 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.1 | -45.1 | 174.3 | -54.8 | 163.2 | 0 | 0 | 0 | 109.5 | Q719 A720 Q725 K726 I727 V731 L814 A817 Q818 V821 | Q719-I723 PolarHBondContact O-N 2.73Å; A720-I723 WeakPolarHBondContact O-CB 3.23Å; A720-I723 PolarHBondContact O-N 2.96Å; I723-Q725 PolarHBondContact O-N 2.86Å; I723-K726 CarbonylContact O-C 3.56Å; I723-K726 WeakPolarHBondContact O-CA 3.39Å; I723-K726 WeakPolarHBondContact O-CB 3.25Å; I723-K726 PolarHBondContact O-N 3.06Å; I723-I727 HydrophobicContact CG2-CG2 4.12Å; I723-I727 WeakPolarHBondContact O-CG1 2.98Å; I723-I727 PolarHBondContact O-N 3.41Å; I723-V731 HydrophobicContact CB-CG2 4.34Å; I723-V731 HydrophobicContact CG2-CG2 3.69Å; I723-L814 HydrophobicContact CD1-CB 4.29Å; I723-L814 HydrophobicContact CD1-CD2 4.07Å; I723-L814 WeakPolarHBondContact CD1-O 3.09Å; I723-A817 HydrophobicContact CD1-CB 4.12Å; I723-Q818 HydrophobicContact CD1-CB 4.28Å; I723-Q818 HydrophobicContact CG1-CB 4.13Å; I723-Q818 VanDerWaalsContact CG1-OE1 3.22Å; I723-V821 HydrophobicContact CG2-CG2 4.36Å |
| 724 | N | 86.3 | Confident | 88.5 | Confident | 13 Ų | 13 | 44.8 Ų | 44.8 | 7% | 0.07 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.9 | -42 | -177.3 | -65.6 | -14.9 | 0 | 0 | 0 | 112.4 | T700 A720 D721 A722 K726 K728 G729 V731 | T700-N724 VanDerWaalsContact CG2-ND2 3.25Å; T700-N724 WeakPolarHBondContact CG2-ND2 2.99Å; A720-N724 WeakPolarHBondContact O-CB 3.44Å; A720-N724 PolarHBondContact O-N 3.39Å; A720-N724 PolarHBondContact O-ND2 2.88Å; A720-N724 VanDerWaalsContact O-ND2 3.16Å; A720-N724 PolarHBondContact O-OD1 3.26Å; D721-N724 PolarHBondContact O-N 3.11Å; A722-N724 VanDerWaalsContact C-N 3.35Å; N724-K726 VanDerWaalsContact C-N 3.28Å; N724-K726 PolarHBondContact O-N 3.12Å; N724-K728 WeakPolarHBondContact O-CA 3.27Å; N724-K728 PolarHBondContact O-N 3.36Å; N724-G729 WeakPolarHBondContact CA-O 2.98Å; N724-G729 WeakPolarHBondContact CB-O 3.34Å; N724-G729 PolarHBondContact O-N 3.26Å; N724-G729 PolarHBondContact OD1-O 2.92Å; N724-V731 PolarHBondContact ND2-O 3.33Å; N724-V731 WeakPolarHBondContact OD1-CA 3.41Å; N724-V731 VanDerWaalsContact OD1-CB 3.3Å; N724-V731 WeakPolarHBondContact OD1-CB 3.48Å; N724-V731 PolarHBondContact OD1-N 3.48Å |
| 725 | Q | 81 | Confident | 89 | Confident | 141 Ų | 141 | 40.9 Ų | 40.9 | 66% | 0.659 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -62.7 | -33.5 | 171.8 | -75.4 | -178.7 | 34.3 | 0 | 0 | 112.8 | D721 I723 K728 | D721-Q725 WeakPolarHBondContact O-CB 3.09Å; D721-Q725 VanDerWaalsContact O-CG 3.29Å; D721-Q725 WeakPolarHBondContact O-CG 3.38Å; D721-Q725 PolarHBondContact O-N 3.26Å; I723-Q725 PolarHBondContact O-N 2.86Å; Q725-K728 WeakPolarHBondContact O-CD 3.46Å; Q725-K728 VanDerWaalsContact O-CE 3.28Å; Q725-K728 WeakPolarHBondContact O-CE 3.42Å; Q725-K728 PolarHBondContact O-NZ 2.8Å |
| 726 | K | 81.5 | Confident | 89.2 | Confident | 111 Ų | 111 | 36.7 Ų | 36.7 | 48% | 0.483 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -78.5 | -45.5 | 179 | -172.7 | 166.9 | 175.5 | 179.4 | 0 | 112.4 | A722 I723 N724 V821 D822 | A722-K726 PolarHBondContact O-N 3.42Å; I723-K726 CarbonylContact O-C 3.56Å; I723-K726 WeakPolarHBondContact O-CA 3.39Å; I723-K726 WeakPolarHBondContact O-CB 3.25Å; I723-K726 PolarHBondContact O-N 3.06Å; N724-K726 VanDerWaalsContact C-N 3.28Å; N724-K726 PolarHBondContact O-N 3.12Å; K726-V821 HydrophobicContact CD-CG1 3.75Å; K726-V821 HydrophobicContact CG-CG1 3.94Å; K726-D822 IonicContact NZ-OD1 3.47Å; K726-D822 PolarHBondContact NZ-OD1 2.82Å |
| 727 | I | 83 | Confident | 88.9 | Confident | 8 Ų | 8 | 41 Ų | 41 | 4% | 0.041 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -82.8 | -14.5 | -178.3 | 70.7 | 167.7 | 0 | 0 | 0 | 114.1 | I723 V731 N760 M781 Y784 V821 | I723-I727 HydrophobicContact CG2-CG2 4.12Å; I723-I727 WeakPolarHBondContact O-CG1 2.98Å; I723-I727 PolarHBondContact O-N 3.41Å; I727-V731 HydrophobicContact CD1-CG2 3.68Å; I727-N760 HydrophobicContact CD1-CB 4.39Å; I727-N760 PolarHBondContact O-ND2 3.3Å; I727-M781 HydrophobicContact CB-SD 4.46Å; I727-M781 HydrophobicContact CD1-CG 3.75Å; I727-M781 HydrophobicContact CD1-SD 3.59Å; I727-M781 VanDerWaalsContact CD1-SD 3.59Å; I727-M781 HydrophobicContact CG2-SD 3.92Å; I727-Y784 HydrophobicContact CG2-CE2 4.32Å; I727-V821 HydrophobicContact CG2-CB 4.32Å; I727-V821 HydrophobicContact CG2-CG1 3.64Å; I727-V821 HydrophobicContact CG2-CG2 3.63Å |
| 728 | K | 85.3 | Confident | 88.8 | Confident | 164 Ų | 164 | 44.3 Ų | 44.3 | 71% | 0.713 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.6 | 59.1 | -170.5 | -52.9 | -54.7 | -178.5 | -160.8 | 0 | 111.4 | N724 Q725 | N724-K728 WeakPolarHBondContact O-CA 3.27Å; N724-K728 PolarHBondContact O-N 3.36Å; Q725-K728 WeakPolarHBondContact O-CD 3.46Å; Q725-K728 VanDerWaalsContact O-CE 3.28Å; Q725-K728 WeakPolarHBondContact O-CE 3.42Å; Q725-K728 PolarHBondContact O-NZ 2.8Å |
| 729 | G | 83.5 | Confident | 89 | Confident | 20 Ų | 20 | 39.6 Ų | 39.6 | 21% | 0.206 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -168.9 | -173.6 | -170.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | N724 N760 | N724-G729 WeakPolarHBondContact CA-O 2.98Å; N724-G729 WeakPolarHBondContact CB-O 3.34Å; N724-G729 PolarHBondContact O-N 3.26Å; N724-G729 PolarHBondContact OD1-O 2.92Å; G729-N760 CarbonylContact C-O 3.53Å; G729-N760 WeakPolarHBondContact CA-O 3.07Å |
| 730 | E | 89.3 | Confident | 88.8 | Confident | 29 Ų | 29 | 42.7 Ų | 42.7 | 14% | 0.136 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 106.2 | 177.5 | -61.9 | -177 | -175.5 | 0 | 0 | 112 | N699 R754 I755 N760 G761 A762 | N699-E730 VanDerWaalsContact O-OE2 3.1Å; E730-R754 WeakPolarHBondContact OE2-CB 3.19Å; E730-R754 WeakPolarHBondContact OE2-CG 3.45Å; E730-R754 IonicContact OE2-CZ 3.06Å; E730-R754 IonicContact OE2-NH1 2.69Å; E730-R754 PolarHBondContact OE2-NH1 3.04Å; E730-I755 HydrophobicContact CB-CG2 3.65Å; E730-I755 HydrophobicContact CG-CG2 3.98Å; E730-N760 PolarHBondContact N-O 2.76Å; E730-G761 CarbonylContact O-C 3.49Å; E730-G761 WeakPolarHBondContact O-CA 3.46Å; E730-A762 PolarHBondContact O-N 2.95Å |
| 731 | V | 93.1 | Very high | 88.7 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 124.9 | 152.6 | -175.6 | 0 | 0 | 0 | 0 | 107.1 | I723 N724 I727 A762 M781 F813 L814 | I723-V731 HydrophobicContact CB-CG2 4.34Å; I723-V731 HydrophobicContact CG2-CG2 3.69Å; N724-V731 PolarHBondContact ND2-O 3.33Å; N724-V731 WeakPolarHBondContact OD1-CA 3.41Å; N724-V731 VanDerWaalsContact OD1-CB 3.3Å; N724-V731 WeakPolarHBondContact OD1-CB 3.48Å; N724-V731 PolarHBondContact OD1-N 3.48Å; I727-V731 HydrophobicContact CD1-CG2 3.68Å; V731-A762 CarbonylContact C-O 3.58Å; V731-A762 VanDerWaalsContact CA-O 3.23Å; V731-A762 WeakPolarHBondContact CA-O 3.43Å; V731-A762 HydrophobicContact CG1-CB 4.45Å; V731-A762 HydrophobicContact CG2-CB 4.24Å; V731-M781 HydrophobicContact CG2-CE 4.09Å; V731-F813 HydrophobicContact CG1-CE1 3.69Å; V731-F813 HydrophobicContact CG1-CZ 3.53Å; V731-L814 HydrophobicContact CG1-CD2 3.72Å |
| 732 | F | 94.5 | Very high | 89 | Confident | 2 Ų | 2 | 49.8 Ų | 49.8 | 1% | 0.009 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 166.7 | 175.4 | 70.2 | -76.7 | 0 | 0 | 0 | 111.5 | T700 L734 L751 R754 A762 L763 L764 | T700-F732 WeakPolarHBondContact O-CA 3.37Å; T700-F732 WeakPolarHBondContact O-CB 3.48Å; F732-L734 HydrophobicContact CE2-CB 4.45Å; F732-L751 HydrophobicContact CD1-CD1 4.42Å; F732-L751 HydrophobicContact CE1-CB 4.49Å; F732-L751 HydrophobicContact CE1-CD1 3.64Å; F732-R754 HydrophobicContact CE1-CB 4.35Å; F732-R754 HydrophobicContact CZ-CG 4.45Å; F732-A762 PolarHBondContact N-O 3.37Å; F732-L763 HydrophobicContact CD1-CD1 4.27Å; F732-L763 HydrophobicContact CD2-CD1 3.46Å; F732-L763 VanDerWaalsContact CD2-CD1 3.46Å; F732-L763 HydrophobicContact CE1-CB 4.08Å; F732-L763 HydrophobicContact CE1-CD1 4.09Å; F732-L763 HydrophobicContact CE1-CG 4.48Å; F732-L763 HydrophobicContact CE2-CD1 3.24Å; F732-L763 HydrophobicContact CE2-CD2 4.04Å; F732-L763 HydrophobicContact CE2-CG 4.14Å; F732-L763 HydrophobicContact CG-CD1 3.98Å; F732-L763 HydrophobicContact CZ-CB 4.08Å; F732-L763 HydrophobicContact CZ-CD1 3.57Å; F732-L763 HydrophobicContact CZ-CD2 3.79Å; F732-L763 HydrophobicContact CZ-CG 4.02Å; F732-L763 WeakPolarHBondContact O-CA 3.49Å; F732-L764 PolarHBondContact O-N 2.75Å |
| 733 | I | 96.6 | Very high | 89.3 | Confident | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 138 | 176.7 | -60.1 | 164.5 | 0 | 0 | 0 | 107.2 | D702 L716 T735 L764 F813 L814 | D702-I733 PolarHBondContact N-O 2.93Å; D702-I733 VanDerWaalsContact O-O 3.09Å; L716-I733 HydrophobicContact CB-CD1 4.44Å; L716-I733 HydrophobicContact CD1-CD1 4.34Å; L716-I733 HydrophobicContact CD2-CD1 4.27Å; I733-T735 HydrophobicContact CG2-CG2 4.5Å; I733-L764 HydrophobicContact CG1-CB 4.4Å; I733-F813 HydrophobicContact CD1-CD1 4.2Å; I733-F813 HydrophobicContact CG1-CD1 3.81Å; I733-F813 HydrophobicContact CG1-CE1 3.88Å; I733-L814 HydrophobicContact CD1-CD1 4.02Å; I733-L814 HydrophobicContact CD1-CD2 4.42Å; I733-L814 HydrophobicContact CD1-CG 4.12Å |
| 734 | L | 96 | Very high | 89.6 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 118.2 | 173.1 | 175.2 | 56.9 | 0 | 0 | 0 | 109.4 | D702 Q704 F732 F746 Q750 L763 L764 L765 L766 | D702-L734 HydrophobicContact CB-CD1 3.98Å; D702-L734 VanDerWaalsContact O-CA 3.25Å; D702-L734 WeakPolarHBondContact O-CA 3.45Å; Q704-L734 HydrophobicContact CG-CD1 3.87Å; F732-L734 HydrophobicContact CE2-CB 4.45Å; L734-F746 HydrophobicContact CD2-CE1 3.71Å; L734-F746 HydrophobicContact CD2-CZ 4.28Å; L734-Q750 HydrophobicContact CD2-CB 4.04Å; L734-Q750 HydrophobicContact CD2-CG 3.65Å; L734-L763 HydrophobicContact CB-CD1 3.65Å; L734-L763 HydrophobicContact CD2-CD2 4.49Å; L734-L764 PolarHBondContact N-O 2.93Å; L734-L765 HydrophobicContact CB-CD1 4.37Å; L734-L765 HydrophobicContact CD2-CD1 4.01Å; L734-L765 HydrophobicContact CG-CD1 3.97Å; L734-L765 CarbonylContact O-C 3.19Å; L734-L765 WeakPolarHBondContact O-CA 3.38Å; L734-L766 PolarHBondContact O-N 2.62Å |
| 735 | T | 95.7 | Very high | 89.8 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 139.8 | 166.7 | 80.6 | 0 | 0 | 0 | 0 | 109.2 | D702 D703 Q704 A705 L707 I733 L766 | D702-T735 PolarHBondContact O-N 3.41Å; D702-T735 VanDerWaalsContact O-N 3.13Å; D703-T735 VanDerWaalsContact CA-OG1 3.28Å; D703-T735 WeakPolarHBondContact CA-OG1 3.43Å; D703-T735 WeakPolarHBondContact OD1-CG2 3.27Å; D703-T735 PolarHBondContact OD1-OG1 3.34Å; Q704-T735 WeakPolarHBondContact CB-O 3.47Å; Q704-T735 PolarHBondContact N-O 2.88Å; Q704-T735 VanDerWaalsContact N-O 3.08Å; Q704-T735 PolarHBondContact N-OG1 2.83Å; Q704-T735 VanDerWaalsContact N-OG1 3.13Å; A705-T735 PolarHBondContact N-O 3.42Å; A705-T735 PolarHBondContact N-OG1 3.24Å; L707-T735 HydrophobicContact CB-CG2 4.42Å; L707-T735 HydrophobicContact CD1-CG2 3.98Å; L707-T735 HydrophobicContact CG-CG2 4.38Å; I733-T735 HydrophobicContact CG2-CG2 4.5Å; T735-L766 HydrophobicContact CG2-CB 4.47Å; T735-L766 HydrophobicContact CG2-CD1 4.25Å |
| 736 | T | 93.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 145.9 | 175.3 | -167.4 | 0 | 0 | 0 | 0 | 112.1 | T738 N739 F746 L765 L766 M768 | T736-T738 PolarHBondContact OG1-N 3.5Å; T736-T738 PolarHBondContact OG1-OG1 3.26Å; T736-N739 HydrophobicContact CG2-CB 3.78Å; T736-F746 HydrophobicContact CG2-CE1 4.01Å; T736-L765 HydrophobicContact CG2-CD1 3.88Å; T736-L766 PolarHBondContact N-O 2.81Å; T736-M768 PolarHBondContact O-N 2.86Å |
| 737 | D | 88.5 | Confident | 91.1 | Very high | 90 Ų | 90 | 42.2 Ų | 42.2 | 48% | 0.481 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -118.1 | 10.4 | 175.9 | 63.7 | -22.9 | 0 | 0 | 0 | 111.8 | A705 M768 | A705-D737 HydrophobicContact CB-CB 4.08Å; D737-M768 HydrophobicContact CB-CB 4.32Å |
| 738 | T | 88.9 | Confident | 91.7 | Very high | 100 Ų | 100 | 41.9 Ų | 41.9 | 61% | 0.613 | 22% | 0.218 | S | C | * | . | trans | -124.7 | -5.3 | -174.4 | 54 | 0 | 0 | 0 | 0 | 115.1 | T736 S740 | T736-T738 PolarHBondContact OG1-N 3.5Å; T736-T738 PolarHBondContact OG1-OG1 3.26Å; T738-S740 PolarHBondContact O-N 3.03Å | ||
| 739 | N | 90.7 | Very high | 92.1 | Very high | 5 Ų | 5 | 35.8 Ų | 35.8 | 3% | 0.027 | 19% | 0.193 | C | C | . | . | trans | -63.7 | 125.8 | -179.6 | 176.1 | 38.8 | 0 | 0 | 0 | 111.7 | T736 E741 F746 D767 N769 Q770 | T736-N739 HydrophobicContact CG2-CB 3.78Å; N739-E741 PolarHBondContact ND2-O 2.94Å; N739-E741 PolarHBondContact OD1-N 2.96Å; N739-E741 PolarHBondContact OD1-O 3.4Å; N739-F746 HydrophobicContact CB-CD1 4.19Å; N739-F746 HydrophobicContact CB-CD2 4.42Å; N739-F746 HydrophobicContact CB-CE1 4.19Å; N739-F746 HydrophobicContact CB-CE2 4.42Å; N739-F746 HydrophobicContact CB-CG 4.3Å; N739-F746 HydrophobicContact CB-CZ 4.31Å; N739-F746 VanDerWaalsContact OD1-CD2 3.29Å; N739-F746 WeakPolarHBondContact OD1-CD2 2.99Å; N739-F746 WeakPolarHBondContact OD1-CG 3.27Å; N739-D767 WeakPolarHBondContact CB-OD2 3.25Å; N739-D767 PolarHBondContact ND2-OD2 2.84Å; N739-N769 PolarHBondContact O-ND2 3.08Å; N739-Q770 PolarHBondContact ND2-NE2 2.66Å; N739-Q770 VanDerWaalsContact ND2-NE2 3.16Å; N739-Q770 PolarHBondContact O-NE2 3.28Å | ||
| 740 | S | 87.4 | Confident | 92.5 | Very high | 111 Ų | 111 | 37.7 Ų | 37.7 | 78% | 0.776 | 20% | 0.196 | S | C | * | . | trans | -116.8 | 2.4 | 176.4 | 55.9 | 0 | 0 | 0 | 0 | 113.4 | T738 | T738-S740 PolarHBondContact O-N 3.03Š| ||
| 741 | E | 89.3 | Confident | 92.8 | Very high | 85 Ų | 85 | 36.3 Ų | 36.3 | 40% | 0.397 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -94 | 161.9 | 173.6 | -60.5 | -163.7 | -115.8 | 0 | 0 | 110.8 | N739 P743 K745 F746 Q770 | N739-E741 PolarHBondContact ND2-O 2.94Å; N739-E741 PolarHBondContact OD1-N 2.96Å; N739-E741 PolarHBondContact OD1-O 3.4Å; E741-P743 WeakPolarHBondContact O-CD 3.12Å; E741-K745 IonicContact OE1-NZ 2.88Å; E741-K745 WeakPolarHBondContact OE2-CE 3.46Å; E741-K745 IonicContact OE2-NZ 3.05Å; E741-K745 PolarHBondContact OE2-NZ 2.99Å; E741-F746 HydrophobicContact CB-CB 4.44Å; E741-Q770 PolarHBondContact O-NE2 3.24Å |
| 742 | E | 91.5 | Very high | 92.6 | Very high | 117 Ų | 117 | 39.8 Ų | 39.8 | 55% | 0.547 | 20% | 0.203 | S | C | . | . | trans | -51.1 | 124.4 | 172 | -175 | -152.7 | -176.1 | 0 | 0 | 110 | R744 K745 F746 | E742-R744 HydrophobicContact CG-CB 4.26Å; E742-R744 PolarHBondContact O-N 3.41Å; E742-R744 VanDerWaalsContact O-N 3.12Å; E742-R744 WeakPolarHBondContact OE1-CB 3.49Å; E742-K745 HydrophobicContact CB-CB 4.34Å; E742-K745 PolarHBondContact O-N 2.76Å; E742-F746 PolarHBondContact O-N 2.92Å | ||
| 743 | P | 91.2 | Very high | 92.2 | Very high | 4 Ų | 4 | 43.6 Ų | 43.6 | 3% | 0.026 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -55.6 | -34.8 | -173 | -31.8 | 38.8 | 0 | 0 | 0 | 114.1 | E741 F746 A747 L765 Q770 E772 Y774 | E741-P743 WeakPolarHBondContact O-CD 3.12Å; P743-F746 PolarHBondContact O-N 3.19Å; P743-A747 VanDerWaalsContact O-CB 3.27Å; P743-A747 WeakPolarHBondContact O-CB 3.29Å; P743-A747 PolarHBondContact O-N 3.4Å; P743-L765 HydrophobicContact CB-CD2 4.11Å; P743-Q770 HydrophobicContact CG-CB 4.41Å; P743-E772 HydrophobicContact CG-CB 4.2Å; P743-Y774 HydrophobicContact CB-CD2 4.5Å |
| 744 | R | 93.7 | Very high | 91.5 | Very high | 49 Ų | 49 | 46.9 Ų | 46.9 | 19% | 0.185 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -55 | -57.5 | 171.2 | 176.8 | 170.8 | -142.6 | -175.7 | 7 | 112.2 | E742 F746 A747 D748 Y774 E834 H925 | E742-R744 HydrophobicContact CG-CB 4.26Å; E742-R744 PolarHBondContact O-N 3.41Å; E742-R744 VanDerWaalsContact O-N 3.12Å; E742-R744 WeakPolarHBondContact OE1-CB 3.49Å; R744-F746 VanDerWaalsContact C-N 3.34Å; R744-F746 PolarHBondContact O-N 3.19Å; R744-A747 PolarHBondContact O-N 3.24Å; R744-D748 VanDerWaalsContact O-CG 3.26Å; R744-D748 PolarHBondContact O-N 3.32Å; R744-Y774 HydrophobicContact CB-CD2 4.24Å; R744-Y774 HydrophobicContact CB-CE1 4.14Å; R744-Y774 HydrophobicContact CB-CE2 3.59Å; R744-Y774 WeakPolarHBondContact CD-OH 3.42Å; R744-Y774 HydrophobicContact CG-CE1 4.13Å; R744-Y774 HydrophobicContact CG-CE2 4.15Å; R744-Y774 VanDerWaalsContact CG-OH 3.29Å; R744-Y774 WeakPolarHBondContact CG-OH 3.33Å; R744-Y774 PolarHBondContact NE-OH 3.15Å; R744-E834 IonicContact CZ-OE1 2.66Å; R744-E834 IonicContact CZ-OE2 2.87Å; R744-E834 IonicContact NH1-OE1 2.76Å; R744-E834 PolarHBondContact NH1-OE1 2.86Å; R744-E834 IonicContact NH1-OE2 3.54Å; R744-E834 PolarHBondContact NH1-OE2 3.29Å; R744-E834 VanDerWaalsContact NH2-CD 3.34Å; R744-E834 IonicContact NH2-OE1 3.93Å; R744-E834 PolarHBondContact NH2-OE1 3.47Å; R744-E834 IonicContact NH2-OE2 2.68Å; R744-E834 PolarHBondContact NH2-OE2 2.92Å; R744-H925 PolarHBondContact NE-CE1 2.98Å; R744-H925 PolarHBondContact NE-NE2 2.95Å; R744-H925 PolarHBondContact NH2-CE1 3.1Å; R744-H925 VanDerWaalsContact NH2-CE1 3.35Å; R744-H925 VanDerWaalsContact NH2-CG 3.28Å; R744-H925 PolarHBondContact NH2-ND1 3.28Å |
| 745 | K | 91.6 | Very high | 91.1 | Very high | 77 Ų | 77 | 48 Ų | 48 | 34% | 0.335 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -62.6 | -42.5 | -178.7 | -178.3 | -173.7 | 172.6 | -64.2 | 0 | 111 | E741 E742 D748 D749 | E741-K745 IonicContact OE1-NZ 2.88Å; E741-K745 WeakPolarHBondContact OE2-CE 3.46Å; E741-K745 IonicContact OE2-NZ 3.05Å; E741-K745 PolarHBondContact OE2-NZ 2.99Å; E742-K745 HydrophobicContact CB-CB 4.34Å; E742-K745 PolarHBondContact O-N 2.76Å; K745-D748 PolarHBondContact O-N 3.33Å; K745-D749 IonicContact NZ-OD2 3.13Å; K745-D749 PolarHBondContact NZ-OD2 3.35Å; K745-D749 WeakPolarHBondContact O-CB 3.45Å; K745-D749 VanDerWaalsContact O-CG 3.32Å; K745-D749 PolarHBondContact O-N 3.43Å |
| 746 | F | 94.1 | Very high | 90.6 | Very high | 24 Ų | 24 | 49.4 Ų | 49.4 | 11% | 0.105 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.3 | -48.3 | 177.2 | -175.2 | -101.9 | 0 | 0 | 0 | 111.3 | L734 T736 N739 E741 E742 P743 R744 D748 D749 Q750 L765 | L734-F746 HydrophobicContact CD2-CE1 3.71Å; L734-F746 HydrophobicContact CD2-CZ 4.28Å; T736-F746 HydrophobicContact CG2-CE1 4.01Å; N739-F746 HydrophobicContact CB-CD1 4.19Å; N739-F746 HydrophobicContact CB-CD2 4.42Å; N739-F746 HydrophobicContact CB-CE1 4.19Å; N739-F746 HydrophobicContact CB-CE2 4.42Å; N739-F746 HydrophobicContact CB-CG 4.3Å; N739-F746 HydrophobicContact CB-CZ 4.31Å; N739-F746 VanDerWaalsContact OD1-CD2 3.29Å; N739-F746 WeakPolarHBondContact OD1-CD2 2.99Å; N739-F746 WeakPolarHBondContact OD1-CG 3.27Å; E741-F746 HydrophobicContact CB-CB 4.44Å; E742-F746 PolarHBondContact O-N 2.92Å; P743-F746 PolarHBondContact O-N 3.19Å; R744-F746 VanDerWaalsContact C-N 3.34Å; R744-F746 PolarHBondContact O-N 3.19Å; F746-D748 PolarHBondContact O-N 3.13Å; F746-D749 PolarHBondContact O-N 3.09Å; F746-Q750 HydrophobicContact CD1-CG 4.19Å; F746-Q750 HydrophobicContact CE1-CG 3.91Å; F746-Q750 HydrophobicContact CE2-CG 4.28Å; F746-Q750 HydrophobicContact CZ-CG 3.96Å; F746-Q750 VanDerWaalsContact O-CG 3.24Å; F746-Q750 WeakPolarHBondContact O-CG 3.5Å; F746-Q750 PolarHBondContact O-N 2.94Å; F746-L765 HydrophobicContact CD1-CD1 3.86Å; F746-L765 HydrophobicContact CD1-CD2 3.82Å; F746-L765 HydrophobicContact CE1-CD1 3.8Å |
| 747 | A | 95.7 | Very high | 90.2 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.7 | -44.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | P743 R744 D749 Q750 L751 L763 L765 Y774 | P743-A747 VanDerWaalsContact O-CB 3.27Å; P743-A747 WeakPolarHBondContact O-CB 3.29Å; P743-A747 PolarHBondContact O-N 3.4Å; R744-A747 PolarHBondContact O-N 3.24Å; A747-D749 PolarHBondContact O-N 3.45Å; A747-Q750 PolarHBondContact O-N 3.39Å; A747-L751 WeakPolarHBondContact O-CB 3.45Å; A747-L751 PolarHBondContact O-N 3.13Å; A747-L763 HydrophobicContact CB-CD2 4.2Å; A747-L763 WeakPolarHBondContact O-CD2 3.13Å; A747-L765 HydrophobicContact CB-CB 4.25Å; A747-L765 HydrophobicContact CB-CD2 4.11Å; A747-Y774 HydrophobicContact CB-CD1 3.7Å; A747-Y774 HydrophobicContact CB-CG 4.33Å |
| 748 | D | 95.9 | Very high | 90 | Very high | 2 Ų | 2 | 51.9 Ų | 51.9 | 1% | 0.011 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.8 | -44.1 | 176.4 | -66 | -21.9 | 0 | 0 | 0 | 111.9 | R744 K745 F746 L751 R752 S776 H925 F932 | R744-D748 VanDerWaalsContact O-CG 3.26Å; R744-D748 PolarHBondContact O-N 3.32Å; K745-D748 PolarHBondContact O-N 3.33Å; F746-D748 PolarHBondContact O-N 3.13Å; D748-L751 PolarHBondContact O-N 3.49Å; D748-R752 WeakPolarHBondContact O-CB 3.3Å; D748-R752 PolarHBondContact O-N 2.83Å; D748-S776 WeakPolarHBondContact OD1-CB 3.37Å; D748-S776 PolarHBondContact OD1-OG 3.35Å; D748-H925 IonicContact OD1-CE1 2.62Å; D748-H925 IonicContact OD1-NE2 3.22Å; D748-H925 PolarHBondContact OD1-NE2 2.86Å; D748-H925 IonicContact OD2-CD2 2.86Å; D748-H925 PolarHBondContact OD2-CD2 3.15Å; D748-H925 IonicContact OD2-CE1 2.73Å; D748-H925 IonicContact OD2-NE2 3.92Å; D748-H925 PolarHBondContact OD2-NE2 2.82Å; D748-F932 HydrophobicContact CB-CD1 4.27Å; D748-F932 HydrophobicContact CB-CD2 4.09Å; D748-F932 HydrophobicContact CB-CE2 4.39Å; D748-F932 HydrophobicContact CB-CG 4.05Å; D748-F932 WeakPolarHBondContact OD1-CB 3.45Å |
| 749 | D | 92.8 | Very high | 89.9 | Confident | 36 Ų | 36 | 52.8 Ų | 52.8 | 19% | 0.193 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65.9 | -37.9 | -179 | -76.2 | -19.1 | 0 | 0 | 0 | 111.4 | K745 F746 A747 R752 A753 | K745-D749 IonicContact NZ-OD2 3.13Å; K745-D749 PolarHBondContact NZ-OD2 3.35Å; K745-D749 WeakPolarHBondContact O-CB 3.45Å; K745-D749 VanDerWaalsContact O-CG 3.32Å; K745-D749 PolarHBondContact O-N 3.43Å; F746-D749 PolarHBondContact O-N 3.09Å; A747-D749 PolarHBondContact O-N 3.45Å; D749-R752 IonicContact OD1-CZ 3.98Å; D749-R752 IonicContact OD1-NE 2.73Å; D749-R752 IonicContact OD1-NH2 3.81Å; D749-R752 PolarHBondContact OD1-NH2 3.19Å; D749-A753 WeakPolarHBondContact O-CB 3.45Å; D749-A753 PolarHBondContact O-N 2.87Å |
| 750 | Q | 93.2 | Very high | 89.9 | Confident | 60 Ų | 60 | 54 Ų | 54 | 28% | 0.28 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -69.2 | -44.7 | 174.5 | -66.5 | -65.4 | -20.8 | 0 | 0 | 112.7 | L734 F746 A747 A753 R754 L763 | L734-Q750 HydrophobicContact CD2-CB 4.04Å; L734-Q750 HydrophobicContact CD2-CG 3.65Å; F746-Q750 HydrophobicContact CD1-CG 4.19Å; F746-Q750 HydrophobicContact CE1-CG 3.91Å; F746-Q750 HydrophobicContact CE2-CG 4.28Å; F746-Q750 HydrophobicContact CZ-CG 3.96Å; F746-Q750 VanDerWaalsContact O-CG 3.24Å; F746-Q750 WeakPolarHBondContact O-CG 3.5Å; F746-Q750 PolarHBondContact O-N 2.94Å; A747-Q750 PolarHBondContact O-N 3.39Å; Q750-A753 PolarHBondContact O-N 3.07Å; Q750-R754 PolarHBondContact O-N 3.44Å; Q750-L763 HydrophobicContact CB-CD2 3.76Å |
| 751 | L | 93.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.8 | -47.4 | 175.7 | 179.9 | 57.3 | 0 | 0 | 0 | 110.8 | F732 A747 D748 A753 R754 I755 L763 F932 | F732-L751 HydrophobicContact CD1-CD1 4.42Å; F732-L751 HydrophobicContact CE1-CB 4.49Å; F732-L751 HydrophobicContact CE1-CD1 3.64Å; A747-L751 WeakPolarHBondContact O-CB 3.45Å; A747-L751 PolarHBondContact O-N 3.13Å; D748-L751 PolarHBondContact O-N 3.49Å; L751-A753 VanDerWaalsContact C-N 3.34Å; L751-A753 PolarHBondContact O-N 3.08Å; L751-R754 PolarHBondContact O-N 2.91Å; L751-I755 HydrophobicContact CD1-CD1 3.63Å; L751-I755 HydrophobicContact CD1-CG1 4.46Å; L751-I755 HydrophobicContact CG-CD1 3.94Å; L751-I755 WeakPolarHBondContact O-CG1 3.26Å; L751-I755 PolarHBondContact O-N 3.38Å; L751-L763 HydrophobicContact CB-CB 4.18Å; L751-L763 HydrophobicContact CB-CD2 4.48Å; L751-L763 HydrophobicContact CD1-CB 4.35Å; L751-F932 HydrophobicContact CB-CE1 4.39Å; L751-F932 HydrophobicContact CD2-CD1 4.03Å; L751-F932 HydrophobicContact CD2-CE1 4.08Å; L751-F932 HydrophobicContact CG-CE1 4.19Å |
| 752 | R | 90.4 | Very high | 90.5 | Very high | 72 Ų | 72 | 44.6 Ų | 44.6 | 27% | 0.272 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -61 | -37.6 | 177.6 | -170.4 | 166.3 | 58.1 | 98.3 | 4.9 | 113.2 | D748 D749 R754 G756 N757 G928 F932 | D748-R752 WeakPolarHBondContact O-CB 3.3Å; D748-R752 PolarHBondContact O-N 2.83Å; D749-R752 IonicContact OD1-CZ 3.98Å; D749-R752 IonicContact OD1-NE 2.73Å; D749-R752 IonicContact OD1-NH2 3.81Å; D749-R752 PolarHBondContact OD1-NH2 3.19Å; R752-R754 VanDerWaalsContact C-N 3.26Å; R752-R754 PolarHBondContact O-N 3.07Å; R752-G756 WeakPolarHBondContact O-CA 3.49Å; R752-G756 PolarHBondContact O-N 3.31Å; R752-N757 WeakPolarHBondContact CD-OD1 3.37Å; R752-N757 VanDerWaalsContact CG-OD1 3.3Å; R752-N757 WeakPolarHBondContact CG-OD1 3.33Å; R752-G928 PolarHBondContact NH1-O 3.22Å; R752-F932 HydrophobicContact CB-CE1 4.36Å; R752-F932 HydrophobicContact CB-CZ 3.73Å; R752-F932 HydrophobicContact CG-CZ 4.08Å |
| 753 | A | 86.1 | Confident | 90.7 | Very high | 83 Ų | 83 | 39 Ų | 39 | 69% | 0.686 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -64.5 | -31 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | D749 Q750 L751 | D749-A753 WeakPolarHBondContact O-CB 3.45Å; D749-A753 PolarHBondContact O-N 2.87Å; Q750-A753 PolarHBondContact O-N 3.07Å; L751-A753 VanDerWaalsContact C-N 3.34Å; L751-A753 PolarHBondContact O-N 3.08Å |
| 754 | R | 82.3 | Confident | 91.1 | Very high | 70 Ų | 70 | 38.9 Ų | 38.9 | 26% | 0.264 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -81.4 | -53.4 | 178.6 | -97.5 | 157.9 | 160.9 | -87.5 | 4.4 | 113.6 | N699 E730 F732 Q750 L751 R752 | N699-R754 PolarHBondContact O-NH1 2.68Å; E730-R754 WeakPolarHBondContact OE2-CB 3.19Å; E730-R754 WeakPolarHBondContact OE2-CG 3.45Å; E730-R754 IonicContact OE2-CZ 3.06Å; E730-R754 IonicContact OE2-NH1 2.69Å; E730-R754 PolarHBondContact OE2-NH1 3.04Å; F732-R754 HydrophobicContact CE1-CB 4.35Å; F732-R754 HydrophobicContact CZ-CG 4.45Å; Q750-R754 PolarHBondContact O-N 3.44Å; L751-R754 PolarHBondContact O-N 2.91Å; R752-R754 VanDerWaalsContact C-N 3.26Å; R752-R754 PolarHBondContact O-N 3.07Å |
| 755 | I | 85.9 | Confident | 91.2 | Very high | 23 Ų | 23 | 36.5 Ų | 36.5 | 12% | 0.118 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -101 | -11 | -170.5 | 72.6 | -169.8 | 0 | 0 | 0 | 114.1 | E730 L751 H759 | E730-I755 HydrophobicContact CB-CG2 3.65Å; E730-I755 HydrophobicContact CG-CG2 3.98Å; L751-I755 HydrophobicContact CD1-CD1 3.63Å; L751-I755 HydrophobicContact CD1-CG1 4.46Å; L751-I755 HydrophobicContact CG-CD1 3.94Å; L751-I755 WeakPolarHBondContact O-CG1 3.26Å; L751-I755 PolarHBondContact O-N 3.38Å; I755-H759 HydrophobicContact CB-CB 3.92Å; I755-H759 HydrophobicContact CD1-CB 4.37Å; I755-H759 VanDerWaalsContact CD1-O 3.28Å; I755-H759 WeakPolarHBondContact CD1-O 3.35Å; I755-H759 HydrophobicContact CG1-CB 4Å; I755-H759 VanDerWaalsContact O-CB 3.27Å; I755-H759 WeakPolarHBondContact O-CB 3.47Å; I755-H759 PolarHBondContact O-ND1 2.86Å |
| 756 | G | 85.7 | Confident | 91.5 | Very high | 29 Ų | 29 | 32.9 Ų | 32.9 | 30% | 0.299 | 18% | 0.176 | S | C | . | . | trans | 78.5 | -170.9 | -168.4 | 0 | 0 | 0 | 0 | 0 | 113 | R752 | R752-G756 WeakPolarHBondContact O-CA 3.49Å; R752-G756 PolarHBondContact O-N 3.31Å | ||
| 757 | N | 85.5 | Confident | 91.5 | Very high | 64 Ų | 64 | 31.7 Ų | 31.7 | 34% | 0.342 | 17% | 0.171 | S | C | . | . | S | Bend | trans | -74.5 | 136.9 | 178.7 | -65.9 | -6 | 0 | 0 | 0 | 110.8 | R752 H759 G929 | R752-N757 WeakPolarHBondContact CD-OD1 3.37Å; R752-N757 VanDerWaalsContact CG-OD1 3.3Å; R752-N757 WeakPolarHBondContact CG-OD1 3.33Å; N757-H759 PolarHBondContact O-N 3.05Å; N757-H759 PolarHBondContact O-ND1 2.7Å; N757-G929 PolarHBondContact ND2-O 2.89Å |
| 758 | D | 84.3 | Confident | 91.4 | Very high | 79 Ų | 79 | 33.7 Ų | 33.7 | 42% | 0.422 | 18% | 0.181 | S | C | . | . | S | Bend | trans | 59.7 | 10.1 | 169.1 | -50.3 | -54.8 | 0 | 0 | 0 | 116.9 | G779 T931 | D758-G779 WeakPolarHBondContact O-CA 3.24Å; D758-T931 WeakPolarHBondContact OD1-CA 3.34Å; D758-T931 WeakPolarHBondContact OD1-CB 3.33Å; D758-T931 PolarHBondContact OD1-N 2.98Å; D758-T931 PolarHBondContact OD1-OG1 2.8Å |
| 759 | H | 87.6 | Confident | 91.2 | Very high | 119 Ų | 119 | 38 Ų | 38 | 55% | 0.551 | 20% | 0.204 | S | C | * | . | trans | -77.5 | 162 | 172.2 | -71.6 | 63.9 | 0 | 0 | 0 | 110.8 | I755 N757 G761 S778 G779 | I755-H759 HydrophobicContact CB-CB 3.92Å; I755-H759 HydrophobicContact CD1-CB 4.37Å; I755-H759 VanDerWaalsContact CD1-O 3.28Å; I755-H759 WeakPolarHBondContact CD1-O 3.35Å; I755-H759 HydrophobicContact CG1-CB 4Å; I755-H759 VanDerWaalsContact O-CB 3.27Å; I755-H759 WeakPolarHBondContact O-CB 3.47Å; I755-H759 PolarHBondContact O-ND1 2.86Å; N757-H759 PolarHBondContact O-N 3.05Å; N757-H759 PolarHBondContact O-ND1 2.7Å; H759-G761 PolarHBondContact O-N 2.92Å; H759-S778 CarbonylContact O-C 3.49Å; H759-S778 WeakPolarHBondContact O-CB 3.09Å; H759-G779 WeakPolarHBondContact O-CA 3.33Å; H759-G779 PolarHBondContact O-N 3.22Å | ||
| 760 | N | 89.8 | Confident | 91.1 | Very high | 29 Ų | 29 | 40.1 Ų | 40.1 | 16% | 0.155 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -69.6 | 128 | -178 | -62.9 | -23.2 | 0 | 0 | 0 | 110.5 | I727 G729 E730 N780 | I727-N760 HydrophobicContact CD1-CB 4.39Å; I727-N760 PolarHBondContact O-ND2 3.3Å; G729-N760 CarbonylContact C-O 3.53Å; G729-N760 WeakPolarHBondContact CA-O 3.07Å; E730-N760 PolarHBondContact N-O 2.76Å; N760-N780 WeakPolarHBondContact OD1-CB 3.31Å; N760-N780 PolarHBondContact OD1-N 3.44Å |
| 761 | G | 92.1 | Very high | 91 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 179.2 | 164.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114 | E730 H759 T777 S778 M781 | E730-G761 CarbonylContact O-C 3.49Å; E730-G761 WeakPolarHBondContact O-CA 3.46Å; H759-G761 PolarHBondContact O-N 2.92Å; G761-T777 WeakPolarHBondContact O-CA 3.2Å; G761-S778 PolarHBondContact N-O 3.41Å; G761-S778 VanDerWaalsContact N-O 3.14Å; G761-S778 PolarHBondContact O-N 3.03Å; G761-M781 VanDerWaalsContact O-CB 3.26Å; G761-M781 WeakPolarHBondContact O-CB 3.29Å; G761-M781 WeakPolarHBondContact O-CG 3.45Å |
| 762 | A | 96.7 | Very high | 91 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 138 | 176 | 0 | 0 | 0 | 0 | 0 | 110.3 | E730 V731 F732 S776 T777 M781 F813 | E730-A762 PolarHBondContact O-N 2.95Å; V731-A762 CarbonylContact C-O 3.58Å; V731-A762 VanDerWaalsContact CA-O 3.23Å; V731-A762 WeakPolarHBondContact CA-O 3.43Å; V731-A762 HydrophobicContact CG1-CB 4.45Å; V731-A762 HydrophobicContact CG2-CB 4.24Å; F732-A762 PolarHBondContact N-O 3.37Å; A762-S776 CarbonylContact C-O 3.52Å; A762-S776 VanDerWaalsContact CA-O 3.3Å; A762-S776 WeakPolarHBondContact CA-O 3.35Å; A762-T777 HydrophobicContact CB-CG2 4.02Å; A762-M781 HydrophobicContact CB-CB 4.39Å; A762-M781 HydrophobicContact CB-CE 3.99Å; A762-M781 HydrophobicContact CB-CG 4.35Å; A762-F813 HydrophobicContact CB-CE2 4.5Å; A762-F813 HydrophobicContact CB-CZ 4.24Å |
| 763 | L | 97.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 122.1 | 177.6 | 175.3 | 55.4 | 0 | 0 | 0 | 109.9 | F732 L734 A747 Q750 L751 L775 S776 | F732-L763 HydrophobicContact CD1-CD1 4.27Å; F732-L763 HydrophobicContact CD2-CD1 3.46Å; F732-L763 VanDerWaalsContact CD2-CD1 3.46Å; F732-L763 HydrophobicContact CE1-CB 4.08Å; F732-L763 HydrophobicContact CE1-CD1 4.09Å; F732-L763 HydrophobicContact CE1-CG 4.48Å; F732-L763 HydrophobicContact CE2-CD1 3.24Å; F732-L763 HydrophobicContact CE2-CD2 4.04Å; F732-L763 HydrophobicContact CE2-CG 4.14Å; F732-L763 HydrophobicContact CG-CD1 3.98Å; F732-L763 HydrophobicContact CZ-CB 4.08Å; F732-L763 HydrophobicContact CZ-CD1 3.57Å; F732-L763 HydrophobicContact CZ-CD2 3.79Å; F732-L763 HydrophobicContact CZ-CG 4.02Å; F732-L763 WeakPolarHBondContact O-CA 3.49Å; L734-L763 HydrophobicContact CB-CD1 3.65Å; L734-L763 HydrophobicContact CD2-CD2 4.49Å; A747-L763 HydrophobicContact CB-CD2 4.2Å; A747-L763 WeakPolarHBondContact O-CD2 3.13Å; Q750-L763 HydrophobicContact CB-CD2 3.76Å; L751-L763 HydrophobicContact CB-CB 4.18Å; L751-L763 HydrophobicContact CB-CD2 4.48Å; L751-L763 HydrophobicContact CD1-CB 4.35Å; L763-L775 WeakPolarHBondContact O-CA 3.48Å; L763-S776 PolarHBondContact N-O 2.99Å; L763-S776 PolarHBondContact O-N 3.35Å |
| 764 | L | 98.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 110 | 157.8 | -175.1 | 76.5 | 0 | 0 | 0 | 109.3 | F732 I733 L734 L766 I773 V797 F813 | F732-L764 PolarHBondContact O-N 2.75Å; I733-L764 HydrophobicContact CG1-CB 4.4Å; L734-L764 PolarHBondContact N-O 2.93Å; L764-L766 HydrophobicContact CD2-CD2 3.92Å; L764-L766 HydrophobicContact CD2-CG 4.34Å; L764-L766 HydrophobicContact CG-CD2 4.06Å; L764-I773 HydrophobicContact CD1-CG2 3.68Å; L764-V797 HydrophobicContact CD1-CG1 4.32Å; L764-F813 HydrophobicContact CB-CB 4.5Å; L764-F813 HydrophobicContact CB-CD1 3.52Å; L764-F813 HydrophobicContact CB-CD2 4.16Å; L764-F813 HydrophobicContact CB-CE1 3.59Å; L764-F813 HydrophobicContact CB-CE2 4.26Å; L764-F813 HydrophobicContact CB-CG 3.8Å; L764-F813 HydrophobicContact CB-CZ 3.96Å; L764-F813 HydrophobicContact CD1-CB 4.44Å; L764-F813 HydrophobicContact CD1-CG 4.38Å; L764-F813 HydrophobicContact CD2-CB 3.74Å; L764-F813 HydrophobicContact CD2-CD1 3.99Å; L764-F813 HydrophobicContact CD2-CG 3.96Å; L764-F813 HydrophobicContact CG-CB 4.45Å; L764-F813 HydrophobicContact CG-CD1 4.31Å; L764-F813 HydrophobicContact CG-CG 4.27Å |
| 765 | L | 97.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 126.3 | 168.3 | 176.3 | 67.3 | 0 | 0 | 0 | 109.6 | L734 T736 P743 F746 A747 D767 I773 Y774 | L734-L765 HydrophobicContact CB-CD1 4.37Å; L734-L765 HydrophobicContact CD2-CD1 4.01Å; L734-L765 HydrophobicContact CG-CD1 3.97Å; L734-L765 CarbonylContact O-C 3.19Å; L734-L765 WeakPolarHBondContact O-CA 3.38Å; T736-L765 HydrophobicContact CG2-CD1 3.88Å; P743-L765 HydrophobicContact CB-CD2 4.11Å; F746-L765 HydrophobicContact CD1-CD1 3.86Å; F746-L765 HydrophobicContact CD1-CD2 3.82Å; F746-L765 HydrophobicContact CE1-CD1 3.8Å; A747-L765 HydrophobicContact CB-CB 4.25Å; A747-L765 HydrophobicContact CB-CD2 4.11Å; L765-D767 HydrophobicContact CD2-CB 4.32Å; L765-D767 HydrophobicContact CG-CB 4.29Å; L765-I773 WeakPolarHBondContact O-CA 3.28Å; L765-Y774 WeakPolarHBondContact CB-O 3.48Å; L765-Y774 PolarHBondContact N-O 3.36Å; L765-Y774 PolarHBondContact O-N 2.78Å |
| 766 | L | 96.7 | Very high | 93 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 96.4 | 164.8 | -56.1 | -174.7 | 0 | 0 | 0 | 108.2 | L707 L734 T735 T736 L764 I773 M801 | L707-L766 HydrophobicContact CD1-CD1 4.49Å; L734-L766 PolarHBondContact O-N 2.62Å; T735-L766 HydrophobicContact CG2-CB 4.47Å; T735-L766 HydrophobicContact CG2-CD1 4.25Å; T736-L766 PolarHBondContact N-O 2.81Å; L764-L766 HydrophobicContact CD2-CD2 3.92Å; L764-L766 HydrophobicContact CD2-CG 4.34Å; L764-L766 HydrophobicContact CG-CD2 4.06Å; L766-I773 HydrophobicContact CD2-CG1 4.19Å; L766-I773 HydrophobicContact CD2-CG2 4.18Å; L766-M801 HydrophobicContact CB-CE 4.42Å; L766-M801 HydrophobicContact CD1-CE 4.41Å; L766-M801 HydrophobicContact CD1-SD 3.99Å; L766-M801 HydrophobicContact CD2-CE 3.93Å; L766-M801 HydrophobicContact CD2-SD 3.76Å; L766-M801 HydrophobicContact CG-CE 4.48Å; L766-M801 HydrophobicContact CG-SD 4.44Å |
| 767 | D | 95.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 101 | 178.3 | -172.3 | -24.6 | 0 | 0 | 0 | 110.1 | N739 L765 N769 Q770 R771 E772 | N739-D767 WeakPolarHBondContact CB-OD2 3.25Å; N739-D767 PolarHBondContact ND2-OD2 2.84Å; L765-D767 HydrophobicContact CD2-CB 4.32Å; L765-D767 HydrophobicContact CG-CB 4.29Å; D767-N769 VanDerWaalsContact C-N 3.34Å; D767-N769 WeakPolarHBondContact OD1-CA 3.44Å; D767-N769 WeakPolarHBondContact OD1-CB 3.34Å; D767-N769 PolarHBondContact OD1-N 3.46Å; D767-Q770 PolarHBondContact OD1-N 3Å; D767-Q770 PolarHBondContact OD2-NE2 3.05Å; D767-R771 VanDerWaalsContact O-CA 3.25Å; D767-R771 WeakPolarHBondContact O-CA 3.3Å; D767-R771 PolarHBondContact O-N 2.85Å; D767-E772 WeakPolarHBondContact CB-O 3.47Å; D767-E772 PolarHBondContact N-O 2.84Å; D767-E772 PolarHBondContact O-N 3.1Å; D767-E772 VanDerWaalsContact O-N 3.11Å |
| 768 | M | 93.1 | Very high | 93.9 | Very high | 42 Ų | 42 | 30.1 Ų | 30.1 | 21% | 0.207 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79 | -17.9 | -179.7 | -58.5 | -53.4 | -62.8 | 0 | 0 | 113 | A705 L707 T736 D737 M801 Y806 F939 | A705-M768 HydrophobicContact CB-CG 4.28Å; L707-M768 HydrophobicContact CD1-CG 3.77Å; L707-M768 HydrophobicContact CD1-SD 3.8Å; L707-M768 HydrophobicContact CD2-CG 4.29Å; T736-M768 PolarHBondContact O-N 2.86Å; D737-M768 HydrophobicContact CB-CB 4.32Å; M768-M801 HydrophobicContact SD-CE 4.17Å; M768-Y806 HydrophobicContact CE-CE1 3.54Å; M768-Y806 WeakPolarHBondContact CE-OH 3.39Å; M768-Y806 HydrophobicContact SD-CD1 4.43Å; M768-Y806 HydrophobicContact SD-CE1 3.9Å; M768-F939 HydrophobicContact CE-CE2 4.39Å; M768-F939 HydrophobicContact CE-CZ 4.4Å; M768-F939 HydrophobicContact SD-CE2 4.49Å; M768-F939 HydrophobicContact SD-CZ 3.97Å |
| 769 | N | 90.8 | Very high | 94.1 | Very high | 93 Ų | 93 | 26.7 Ų | 26.7 | 50% | 0.497 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -43.1 | 176.9 | -174.9 | 43.2 | 0 | 0 | 0 | 110.9 | N739 D767 | N739-N769 PolarHBondContact O-ND2 3.08Å; D767-N769 VanDerWaalsContact C-N 3.34Å; D767-N769 WeakPolarHBondContact OD1-CA 3.44Å; D767-N769 WeakPolarHBondContact OD1-CB 3.34Å; D767-N769 PolarHBondContact OD1-N 3.46Å |
| 770 | Q | 91.2 | Very high | 94.1 | Very high | 79 Ų | 79 | 24 Ų | 24 | 37% | 0.369 | 12% | 0.115 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | -8.8 | -179.9 | -62.2 | -175.9 | 65.3 | 0 | 0 | 113.4 | N739 E741 P743 D767 E772 | N739-Q770 PolarHBondContact ND2-NE2 2.66Å; N739-Q770 VanDerWaalsContact ND2-NE2 3.16Å; N739-Q770 PolarHBondContact O-NE2 3.28Å; E741-Q770 PolarHBondContact O-NE2 3.24Å; P743-Q770 HydrophobicContact CG-CB 4.41Å; D767-Q770 PolarHBondContact OD1-N 3Å; D767-Q770 PolarHBondContact OD2-NE2 3.05Å; Q770-E772 VanDerWaalsContact C-N 3.33Å |
| 771 | R | 91.6 | Very high | 94.2 | Very high | 123 Ų | 123 | 22.6 Ų | 22.6 | 46% | 0.464 | 11% | 0.107 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.1 | 47.3 | -174.3 | -57.1 | -171.1 | 68.8 | -103.9 | -9.8 | 111.9 | D767 S938 F939 | D767-R771 VanDerWaalsContact O-CA 3.25Å; D767-R771 WeakPolarHBondContact O-CA 3.3Å; D767-R771 PolarHBondContact O-N 2.85Å; R771-S938 WeakPolarHBondContact O-CA 3.46Å; R771-F939 HydrophobicContact CB-CE1 4.44Å; R771-F939 HydrophobicContact CB-CE2 4.44Å; R771-F939 HydrophobicContact CB-CZ 4.25Å; R771-F939 PolarHBondContact NH1-O 2.83Å; R771-F939 PolarHBondContact NH2-O 2.9Å; R771-F939 PolarHBondContact NH2-OXT 2.74Å; R771-F939 WeakPolarHBondContact O-CD1 3.18Å; R771-F939 WeakPolarHBondContact O-CE1 3.1Å; R771-F939 PolarHBondContact O-N 3.46Å |
| 772 | E | 93.2 | Very high | 94.2 | Very high | 53 Ų | 53 | 22.7 Ų | 22.7 | 25% | 0.248 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 138.1 | 178.7 | -162.7 | 176.9 | 149.7 | 0 | 0 | 111.3 | P743 D767 Q770 R937 | P743-E772 HydrophobicContact CG-CB 4.2Å; D767-E772 WeakPolarHBondContact CB-O 3.47Å; D767-E772 PolarHBondContact N-O 2.84Å; D767-E772 PolarHBondContact O-N 3.1Å; D767-E772 VanDerWaalsContact O-N 3.11Å; Q770-E772 VanDerWaalsContact C-N 3.33Å; E772-R937 WeakPolarHBondContact CA-O 3.48Å; E772-R937 WeakPolarHBondContact CG-O 3.42Å |
| 773 | I | 94 | Very high | 93.8 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 131.3 | 168.1 | -57.3 | 141 | 0 | 0 | 0 | 106.7 | L764 L765 L766 L794 V797 E798 M801 G936 R937 F939 | L764-I773 HydrophobicContact CD1-CG2 3.68Å; L765-I773 WeakPolarHBondContact O-CA 3.28Å; L766-I773 HydrophobicContact CD2-CG1 4.19Å; L766-I773 HydrophobicContact CD2-CG2 4.18Å; I773-L794 HydrophobicContact CG2-CD2 4.18Å; I773-V797 HydrophobicContact CD1-CG1 4.34Å; I773-V797 HydrophobicContact CG2-CG1 3.98Å; I773-E798 HydrophobicContact CD1-CB 4.32Å; I773-M801 HydrophobicContact CD1-CB 3.83Å; I773-M801 HydrophobicContact CD1-CG 3.64Å; I773-M801 HydrophobicContact CG1-CB 4.45Å; I773-M801 HydrophobicContact CG1-CE 4.23Å; I773-M801 HydrophobicContact CG1-CG 3.9Å; I773-G936 CarbonylContact O-C 3.58Å; I773-G936 WeakPolarHBondContact O-CA 3.46Å; I773-R937 HydrophobicContact CD1-CB 4.48Å; I773-R937 PolarHBondContact N-O 3.23Å; I773-R937 PolarHBondContact O-N 2.66Å; I773-F939 HydrophobicContact CD1-CB 4.32Å; I773-F939 HydrophobicContact CD1-CD1 3.69Å; I773-F939 HydrophobicContact CD1-CE1 4.39Å; I773-F939 HydrophobicContact CD1-CG 4.28Å; I773-F939 HydrophobicContact CG1-CD1 3.66Å; I773-F939 HydrophobicContact CG1-CE1 3.87Å |
| 774 | Y | 97.4 | Very high | 93.4 | Very high | 12 Ų | 12 | 24.9 Ų | 24.9 | 5% | 0.047 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 126.2 | 173.6 | -154.9 | -84.3 | 0 | 0 | 0 | 111.9 | P743 R744 A747 L765 G935 | P743-Y774 HydrophobicContact CB-CD2 4.5Å; R744-Y774 HydrophobicContact CB-CD2 4.24Å; R744-Y774 HydrophobicContact CB-CE1 4.14Å; R744-Y774 HydrophobicContact CB-CE2 3.59Å; R744-Y774 WeakPolarHBondContact CD-OH 3.42Å; R744-Y774 HydrophobicContact CG-CE1 4.13Å; R744-Y774 HydrophobicContact CG-CE2 4.15Å; R744-Y774 VanDerWaalsContact CG-OH 3.29Å; R744-Y774 WeakPolarHBondContact CG-OH 3.33Å; R744-Y774 PolarHBondContact NE-OH 3.15Å; A747-Y774 HydrophobicContact CB-CD1 3.7Å; A747-Y774 HydrophobicContact CB-CG 4.33Å; L765-Y774 WeakPolarHBondContact CB-O 3.48Å; L765-Y774 PolarHBondContact N-O 3.36Å; L765-Y774 PolarHBondContact O-N 2.78Å; Y774-G935 PolarHBondContact OH-N 2.91Å |
| 775 | L | 97.6 | Very high | 93.1 | Very high | 1 Ų | 1 | 25.2 Ų | 25.2 | 1% | 0.005 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 118.2 | 167.6 | 180 | 72.1 | 0 | 0 | 0 | 109 | L763 T777 I785 R790 L793 L794 F813 G934 G935 | L763-L775 WeakPolarHBondContact O-CA 3.48Å; L775-T777 HydrophobicContact CD1-CG2 4.37Å; L775-T777 HydrophobicContact CD2-CG2 4.14Å; L775-T777 HydrophobicContact CG-CG2 4.09Å; L775-I785 HydrophobicContact CD2-CD1 4.38Å; L775-I785 HydrophobicContact CD2-CG2 3.97Å; L775-R790 HydrophobicContact CD2-CG 4.13Å; L775-L793 HydrophobicContact CD2-CD1 4.35Å; L775-L793 HydrophobicContact CD2-CD2 4.25Å; L775-L794 HydrophobicContact CB-CD2 4.19Å; L775-F813 HydrophobicContact CD1-CD2 4.07Å; L775-F813 HydrophobicContact CD1-CE2 3.44Å; L775-F813 VanDerWaalsContact CD1-CE2 3.44Å; L775-F813 HydrophobicContact CD1-CZ 4.19Å; L775-G934 CarbonylContact O-C 3.58Å; L775-G934 WeakPolarHBondContact O-CA 3.28Å; L775-G935 PolarHBondContact N-O 3.24Å; L775-G935 PolarHBondContact O-N 2.81Å |
| 776 | S | 97.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 146.2 | 163.6 | -174.2 | 0 | 0 | 0 | 0 | 110.2 | D748 A762 L763 G933 | D748-S776 WeakPolarHBondContact OD1-CB 3.37Å; D748-S776 PolarHBondContact OD1-OG 3.35Å; A762-S776 CarbonylContact C-O 3.52Å; A762-S776 VanDerWaalsContact CA-O 3.3Å; A762-S776 WeakPolarHBondContact CA-O 3.35Å; L763-S776 PolarHBondContact N-O 2.99Å; L763-S776 PolarHBondContact O-N 3.35Å; S776-G933 CarbonylContact C-O 3.41Å |
| 777 | T | 96.7 | Very high | 92.4 | Very high | 3 Ų | 3 | 27 Ų | 27 | 2% | 0.018 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 143.6 | -179.1 | 55.6 | 0 | 0 | 0 | 0 | 110.3 | G761 A762 L775 M781 I782 I785 F932 G933 | G761-T777 WeakPolarHBondContact O-CA 3.2Å; A762-T777 HydrophobicContact CB-CG2 4.02Å; L775-T777 HydrophobicContact CD1-CG2 4.37Å; L775-T777 HydrophobicContact CD2-CG2 4.14Å; L775-T777 HydrophobicContact CG-CG2 4.09Å; T777-M781 HydrophobicContact CG2-CB 4.35Å; T777-I782 WeakPolarHBondContact O-CG1 3.32Å; T777-I782 WeakPolarHBondContact OG1-CG1 3.32Å; T777-I785 HydrophobicContact CG2-CB 4.45Å; T777-I785 HydrophobicContact CG2-CD1 4.27Å; T777-F932 CarbonylContact O-C 3.51Å; T777-F932 VanDerWaalsContact O-CA 3.28Å; T777-F932 WeakPolarHBondContact O-CA 3.41Å; T777-G933 PolarHBondContact N-O 2.93Å; T777-G933 PolarHBondContact O-N 2.76Å; T777-G933 PolarHBondContact OG1-O 3.01Å |
| 778 | S | 92.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 167.9 | 174.7 | -158.1 | 0 | 0 | 0 | 0 | 112.3 | H759 G761 M781 T931 | H759-S778 CarbonylContact O-C 3.49Å; H759-S778 WeakPolarHBondContact O-CB 3.09Å; G761-S778 PolarHBondContact N-O 3.41Å; G761-S778 VanDerWaalsContact N-O 3.14Å; G761-S778 PolarHBondContact O-N 3.03Å; S778-M781 WeakPolarHBondContact O-CB 3.46Å; S778-M781 PolarHBondContact O-N 2.98Å; S778-T931 PolarHBondContact OG-O 2.87Å |
| 779 | G | 88.5 | Confident | 92.1 | Very high | 6 Ų | 6 | 34.6 Ų | 34.6 | 6% | 0.062 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.8 | -141 | -171.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | D758 H759 M781 I782 R831 | D758-G779 WeakPolarHBondContact O-CA 3.24Å; H759-G779 WeakPolarHBondContact O-CA 3.33Å; H759-G779 PolarHBondContact O-N 3.22Å; G779-M781 PolarHBondContact O-N 2.68Å; G779-I782 PolarHBondContact O-N 3.33Å; G779-R831 PolarHBondContact O-NH1 3.25Å; G779-R831 PolarHBondContact O-NH2 3.21Å |
| 780 | N | 89.3 | Confident | 92.3 | Very high | 63 Ų | 63 | 31.8 Ų | 31.8 | 34% | 0.337 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -16.5 | -178.8 | -66.6 | -21.8 | 0 | 0 | 0 | 114.3 | N760 I782 D783 Y784 | N760-N780 WeakPolarHBondContact OD1-CB 3.31Å; N760-N780 PolarHBondContact OD1-N 3.44Å; N780-I782 PolarHBondContact O-N 3.14Å; N780-D783 PolarHBondContact O-N 2.8Å; N780-Y784 HydrophobicContact CB-CD2 4.27Å; N780-Y784 HydrophobicContact CB-CE2 3.92Å; N780-Y784 VanDerWaalsContact O-CD2 3.29Å; N780-Y784 WeakPolarHBondContact O-CD2 3.43Å; N780-Y784 PolarHBondContact O-N 2.84Å; N780-Y784 VanDerWaalsContact O-N 3.08Å |
| 781 | M | 91.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -64.4 | -26.7 | 178.6 | -69.7 | -57.6 | -69.5 | 0 | 0 | 112.8 | I727 V731 G761 A762 T777 S778 G779 D783 Y784 I785 V821 | I727-M781 HydrophobicContact CB-SD 4.46Å; I727-M781 HydrophobicContact CD1-CG 3.75Å; I727-M781 HydrophobicContact CD1-SD 3.59Å; I727-M781 VanDerWaalsContact CD1-SD 3.59Å; I727-M781 HydrophobicContact CG2-SD 3.92Å; V731-M781 HydrophobicContact CG2-CE 4.09Å; G761-M781 VanDerWaalsContact O-CB 3.26Å; G761-M781 WeakPolarHBondContact O-CB 3.29Å; G761-M781 WeakPolarHBondContact O-CG 3.45Å; A762-M781 HydrophobicContact CB-CB 4.39Å; A762-M781 HydrophobicContact CB-CE 3.99Å; A762-M781 HydrophobicContact CB-CG 4.35Å; T777-M781 HydrophobicContact CG2-CB 4.35Å; S778-M781 WeakPolarHBondContact O-CB 3.46Å; S778-M781 PolarHBondContact O-N 2.98Å; G779-M781 PolarHBondContact O-N 2.68Å; M781-D783 PolarHBondContact O-N 3.19Å; M781-Y784 PolarHBondContact O-N 2.9Å; M781-Y784 HydrophobicContact SD-CD2 3.78Å; M781-I785 HydrophobicContact CE-CD1 3.73Å; M781-I785 HydrophobicContact CE-CG1 4.03Å; M781-I785 PolarHBondContact O-N 2.67Å; M781-V821 HydrophobicContact CE-CG2 4.18Å; M781-V821 HydrophobicContact SD-CG2 3.94Å |
| 782 | I | 91.8 | Very high | 92.2 | Very high | 1 Ų | 1 | 28.6 Ų | 28.6 | 1% | 0.005 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -58.9 | -35.2 | 171.2 | -67.5 | 167.2 | 0 | 0 | 0 | 111.4 | T777 G779 N780 I785 R831 S922 T924 | T777-I782 WeakPolarHBondContact O-CG1 3.32Å; T777-I782 WeakPolarHBondContact OG1-CG1 3.32Å; G779-I782 PolarHBondContact O-N 3.33Å; N780-I782 PolarHBondContact O-N 3.14Å; I782-I785 CarbonylContact O-C 3.53Å; I782-R831 VanDerWaalsContact CD1-NH1 3.33Å; I782-R831 HydrophobicContact CG2-CG 3.92Å; I782-S922 VanDerWaalsContact O-CB 3.24Å; I782-S922 WeakPolarHBondContact O-CB 3.29Å; I782-S922 PolarHBondContact O-OG 2.66Å; I782-T924 HydrophobicContact CD1-CG2 4.22Å; I782-T924 HydrophobicContact CG2-CG2 3.54Å |
| 783 | D | 88.1 | Confident | 92.3 | Very high | 5 Ų | 5 | 26.1 Ų | 26.1 | 3% | 0.027 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -90.3 | -32.3 | -178.3 | -49.6 | -54.9 | 0 | 0 | 0 | 112.1 | N780 M781 V825 R831 Y842 | N780-D783 PolarHBondContact O-N 2.8Å; M781-D783 PolarHBondContact O-N 3.19Å; D783-V825 HydrophobicContact CB-CB 4.43Å; D783-V825 HydrophobicContact CB-CG1 3.75Å; D783-V825 HydrophobicContact CB-CG2 3.75Å; D783-R831 WeakPolarHBondContact OD1-CG 3.47Å; D783-R831 IonicContact OD1-CZ 3.31Å; D783-R831 IonicContact OD1-NE 3.41Å; D783-R831 PolarHBondContact OD1-NE 3.2Å; D783-R831 IonicContact OD1-NH2 2.7Å; D783-R831 IonicContact OD2-CZ 3.67Å; D783-R831 IonicContact OD2-NE 3.49Å; D783-R831 PolarHBondContact OD2-NE 2.63Å; D783-R831 IonicContact OD2-NH2 2.76Å; D783-R831 PolarHBondContact OD2-NH2 2.86Å; D783-Y842 HydrophobicContact CB-CD2 3.8Å; D783-Y842 HydrophobicContact CB-CE2 4.1Å; D783-Y842 VanDerWaalsContact OD2-CD2 3.29Å; D783-Y842 WeakPolarHBondContact OD2-CD2 3.47Å |
| 784 | Y | 89.7 | Confident | 92.3 | Very high | 41 Ų | 41 | 26.1 Ų | 26.1 | 16% | 0.161 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -64 | -46.1 | 170.8 | -69.8 | -58.4 | 0 | 0 | 0 | 110.7 | I727 N780 M781 R789 V821 V825 | I727-Y784 HydrophobicContact CG2-CE2 4.32Å; N780-Y784 HydrophobicContact CB-CD2 4.27Å; N780-Y784 HydrophobicContact CB-CE2 3.92Å; N780-Y784 VanDerWaalsContact O-CD2 3.29Å; N780-Y784 WeakPolarHBondContact O-CD2 3.43Å; N780-Y784 PolarHBondContact O-N 2.84Å; N780-Y784 VanDerWaalsContact O-N 3.08Å; M781-Y784 PolarHBondContact O-N 2.9Å; M781-Y784 HydrophobicContact SD-CD2 3.78Å; Y784-R789 WeakPolarHBondContact O-CD 3.24Å; Y784-R789 PolarHBondContact O-NH1 2.81Å; Y784-V821 HydrophobicContact CD1-CG2 4.43Å; Y784-V821 HydrophobicContact CD2-CG2 3.98Å; Y784-V821 HydrophobicContact CE2-CG2 4.37Å; Y784-V821 HydrophobicContact CG-CG2 4.02Å; Y784-V825 HydrophobicContact CD1-CG2 3.56Å; Y784-V825 HydrophobicContact CE1-CG2 3.7Å; Y784-V825 HydrophobicContact CG-CG2 4.14Å |
| 785 | I | 90.9 | Very high | 92 | Very high | 7 Ų | 7 | 29.8 Ų | 29.8 | 4% | 0.036 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.1 | 67.8 | 178.1 | -39.3 | -170.8 | 0 | 0 | 0 | 109.5 | L775 T777 M781 I782 R789 R790 L793 A817 F820 | L775-I785 HydrophobicContact CD2-CD1 4.38Å; L775-I785 HydrophobicContact CD2-CG2 3.97Å; T777-I785 HydrophobicContact CG2-CB 4.45Å; T777-I785 HydrophobicContact CG2-CD1 4.27Å; M781-I785 HydrophobicContact CE-CD1 3.73Å; M781-I785 HydrophobicContact CE-CG1 4.03Å; M781-I785 PolarHBondContact O-N 2.67Å; I782-I785 CarbonylContact O-C 3.53Å; I785-R789 HydrophobicContact CG2-CB 4.22Å; I785-R790 HydrophobicContact CG2-CB 4.08Å; I785-L793 HydrophobicContact CD1-CD1 4.15Å; I785-L793 HydrophobicContact CG2-CD1 4.37Å; I785-A817 HydrophobicContact CD1-CB 4.49Å; I785-F820 HydrophobicContact CB-CD2 4.49Å; I785-F820 HydrophobicContact CG1-CD2 4.08Å; I785-F820 HydrophobicContact CG2-CD2 4.17Å; I785-F820 HydrophobicContact CG2-CE2 4.26Å |
| 786 | N | 90.3 | Very high | 91.7 | Very high | 5 Ų | 5 | 32.8 Ų | 32.8 | 3% | 0.027 | 16% | 0.157 | C | C | . | . | trans | -64.5 | 170.4 | 173.6 | 77.1 | -7.3 | 0 | 0 | 0 | 112.4 | K788 R789 R790 G920 S922 | N786-K788 PolarHBondContact O-N 3.5Å; N786-K788 VanDerWaalsContact O-N 3.07Å; N786-R789 CarbonylContact O-C 3.59Å; N786-R789 WeakPolarHBondContact O-CA 3.37Å; N786-R789 PolarHBondContact O-N 3.48Å; N786-R789 WeakPolarHBondContact OD1-CB 3.32Å; N786-R789 PolarHBondContact OD1-N 3.34Å; N786-R789 VanDerWaalsContact OD1-N 3.12Å; N786-R790 PolarHBondContact O-N 3.32Å; N786-G920 WeakPolarHBondContact ND2-CA 3.28Å; N786-G920 PolarHBondContact ND2-O 3.4Å; N786-S922 WeakPolarHBondContact CA-OG 3.35Å; N786-S922 WeakPolarHBondContact CB-OG 3.41Å | ||
| 787 | D | 89.5 | Confident | 91.6 | Very high | 33 Ų | 33 | 32.8 Ų | 32.8 | 18% | 0.176 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -52.2 | -42.1 | -170.7 | -71.5 | -32.2 | 0 | 0 | 0 | 112.6 | R790 D791 G921 T923 | D787-R790 PolarHBondContact O-N 3Å; D787-R790 PolarHBondContact O-NH2 3.43Å; D787-R790 IonicContact OD1-CZ 3.05Å; D787-R790 IonicContact OD1-NH1 3.93Å; D787-R790 PolarHBondContact OD1-NH1 3.42Å; D787-R790 IonicContact OD1-NH2 2.68Å; D787-D791 VanDerWaalsContact O-CG 3.27Å; D787-D791 PolarHBondContact O-N 3.07Å; D787-D791 VanDerWaalsContact O-OD2 3.08Å; D787-G921 WeakPolarHBondContact CB-O 3.48Å; D787-G921 PolarHBondContact N-O 2.82Å; D787-T923 VanDerWaalsContact CG-N 3.28Å; D787-T923 PolarHBondContact OD1-N 2.97Å; D787-T923 WeakPolarHBondContact OD2-CB 3.46Å; D787-T923 PolarHBondContact OD2-N 2.87Å; D787-T923 PolarHBondContact OD2-OG1 3.23Å |
| 788 | K | 89 | Confident | 91.4 | Very high | 170 Ų | 170 | 34 Ų | 34 | 74% | 0.739 | 16% | 0.163 | S | C | * | . | H | α-helix | trans | -65.1 | -40.6 | 176.8 | -176.2 | -177.1 | 176.4 | -172.8 | 0 | 113.1 | N786 K792 | N786-K788 PolarHBondContact O-N 3.5Å; N786-K788 VanDerWaalsContact O-N 3.07Å; K788-K792 PolarHBondContact O-N 3.05Å |
| 789 | R | 93.4 | Very high | 91.2 | Very high | 31 Ų | 31 | 35.8 Ų | 35.8 | 12% | 0.117 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -73.9 | -36.6 | 178.5 | -84.1 | 179.4 | 166 | 173.2 | -0.4 | 112 | Y784 I785 N786 D791 L793 F820 D823 G824 | Y784-R789 WeakPolarHBondContact O-CD 3.24Å; Y784-R789 PolarHBondContact O-NH1 2.81Å; I785-R789 HydrophobicContact CG2-CB 4.22Å; N786-R789 CarbonylContact O-C 3.59Å; N786-R789 WeakPolarHBondContact O-CA 3.37Å; N786-R789 PolarHBondContact O-N 3.48Å; N786-R789 WeakPolarHBondContact OD1-CB 3.32Å; N786-R789 PolarHBondContact OD1-N 3.34Å; N786-R789 VanDerWaalsContact OD1-N 3.12Å; R789-D791 VanDerWaalsContact C-N 3.33Å; R789-L793 WeakPolarHBondContact O-CB 3.32Å; R789-L793 PolarHBondContact O-N 3.45Å; R789-F820 HydrophobicContact CB-CD1 4.46Å; R789-F820 HydrophobicContact CB-CD2 3.88Å; R789-F820 HydrophobicContact CB-CE1 4.24Å; R789-F820 HydrophobicContact CB-CE2 3.61Å; R789-F820 HydrophobicContact CB-CG 4.3Å; R789-F820 HydrophobicContact CB-CZ 3.81Å; R789-F820 HydrophobicContact CG-CD1 3.88Å; R789-F820 HydrophobicContact CG-CD2 4.18Å; R789-F820 HydrophobicContact CG-CE1 3.78Å; R789-F820 HydrophobicContact CG-CE2 4.07Å; R789-F820 HydrophobicContact CG-CG 4.09Å; R789-F820 HydrophobicContact CG-CZ 3.87Å; R789-F820 PolarHBondContact NH1-O 3.27Å; R789-F820 WeakPolarHBondContact O-CE2 3.49Å; R789-D823 IonicContact CZ-OD2 3.33Å; R789-D823 IonicContact NH2-OD2 3.67Å; R789-D823 PolarHBondContact NH2-OD2 2.66Å; R789-G824 PolarHBondContact NH1-O 3.47Å; R789-G824 PolarHBondContact NH2-O 2.86Å |
| 790 | R | 93.8 | Very high | 91.3 | Very high | 35 Ų | 35 | 36.1 Ų | 36.1 | 13% | 0.132 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -55.6 | -50.7 | 168.9 | 173.1 | -157.8 | 66.2 | -133.7 | -15 | 110 | L775 I785 N786 D787 L793 L794 G934 | L775-R790 HydrophobicContact CD2-CG 4.13Å; I785-R790 HydrophobicContact CG2-CB 4.08Å; N786-R790 PolarHBondContact O-N 3.32Å; D787-R790 PolarHBondContact O-N 3Å; D787-R790 PolarHBondContact O-NH2 3.43Å; D787-R790 IonicContact OD1-CZ 3.05Å; D787-R790 IonicContact OD1-NH1 3.93Å; D787-R790 PolarHBondContact OD1-NH1 3.42Å; D787-R790 IonicContact OD1-NH2 2.68Å; R790-L793 WeakPolarHBondContact O-CB 3.47Å; R790-L793 PolarHBondContact O-N 3.5Å; R790-L793 VanDerWaalsContact O-N 3.15Å; R790-L794 HydrophobicContact CG-CD1 3.7Å; R790-L794 HydrophobicContact CG-CG 4.17Å; R790-L794 WeakPolarHBondContact O-CG 3.39Å; R790-L794 PolarHBondContact O-N 2.84Å; R790-G934 WeakPolarHBondContact CD-O 3.48Å; R790-G934 PolarHBondContact NH1-O 3.33Å |
| 791 | D | 91.2 | Very high | 91.4 | Very high | 51 Ų | 51 | 33.3 Ų | 33.3 | 27% | 0.273 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -64.8 | -43.6 | -175.2 | -67.5 | -32.2 | 0 | 0 | 0 | 111.4 | D787 R789 L793 L794 D795 R937 | D787-D791 VanDerWaalsContact O-CG 3.27Å; D787-D791 PolarHBondContact O-N 3.07Å; D787-D791 VanDerWaalsContact O-OD2 3.08Å; R789-D791 VanDerWaalsContact C-N 3.33Å; D791-L793 VanDerWaalsContact C-N 3.33Å; D791-L793 PolarHBondContact O-N 3.43Å; D791-L794 PolarHBondContact O-N 3.36Å; D791-D795 WeakPolarHBondContact O-CB 3.45Å; D791-D795 PolarHBondContact O-N 3.11Å; D791-D795 VanDerWaalsContact O-OD1 3.13Å; D791-R937 IonicContact OD1-CZ 2.67Å; D791-R937 IonicContact OD1-NH1 3.52Å; D791-R937 IonicContact OD1-NH2 2.89Å; D791-R937 PolarHBondContact OD1-NH2 3.3Å |
| 792 | K | 91.4 | Very high | 91.2 | Very high | 84 Ų | 84 | 40.8 Ų | 40.8 | 37% | 0.365 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -52.4 | -50.1 | 169.1 | -177.8 | -161.8 | 168.2 | -141.6 | 0 | 111.7 | K788 D795 D796 N816 E819 F820 | K788-K792 PolarHBondContact O-N 3.05Å; K792-D795 PolarHBondContact O-N 2.83Å; K792-D796 PolarHBondContact O-N 2.95Å; K792-N816 PolarHBondContact NZ-OD1 2.93Å; K792-E819 IonicContact NZ-OE1 3.51Å; K792-E819 IonicContact NZ-OE2 2.67Å; K792-E819 PolarHBondContact NZ-OE2 2.78Å; K792-F820 HydrophobicContact CD-CE1 4.27Å; K792-F820 HydrophobicContact CD-CZ 4.06Å |
| 793 | L | 94.2 | Very high | 91 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.8 | -45.2 | -177 | -179.8 | 162.5 | 0 | 0 | 0 | 112 | L775 I785 R789 R790 D791 D795 D796 V797 F813 N816 F820 | L775-L793 HydrophobicContact CD2-CD1 4.35Å; L775-L793 HydrophobicContact CD2-CD2 4.25Å; I785-L793 HydrophobicContact CD1-CD1 4.15Å; I785-L793 HydrophobicContact CG2-CD1 4.37Å; R789-L793 WeakPolarHBondContact O-CB 3.32Å; R789-L793 PolarHBondContact O-N 3.45Å; R790-L793 WeakPolarHBondContact O-CB 3.47Å; R790-L793 PolarHBondContact O-N 3.5Å; R790-L793 VanDerWaalsContact O-N 3.15Å; D791-L793 VanDerWaalsContact C-N 3.33Å; D791-L793 PolarHBondContact O-N 3.43Å; L793-D795 VanDerWaalsContact C-N 3.34Å; L793-D796 PolarHBondContact O-N 3.42Å; L793-V797 HydrophobicContact CD2-CG2 4.1Å; L793-V797 VanDerWaalsContact O-CG2 3.25Å; L793-V797 WeakPolarHBondContact O-CG2 3.47Å; L793-V797 PolarHBondContact O-N 3.37Å; L793-F813 HydrophobicContact CD1-CD2 3.97Å; L793-F813 HydrophobicContact CD2-CD2 4.1Å; L793-F813 HydrophobicContact CG-CD2 4.46Å; L793-N816 HydrophobicContact CB-CB 4.22Å; L793-N816 HydrophobicContact CD1-CB 3.89Å; L793-N816 HydrophobicContact CG-CB 3.95Å; L793-F820 HydrophobicContact CB-CE2 4.13Å; L793-F820 HydrophobicContact CD1-CE2 4.11Å |
| 794 | L | 94.4 | Very high | 91 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.8 | -40 | 178.2 | -73.3 | 175 | 0 | 0 | 0 | 111.3 | I773 L775 R790 D791 D796 V797 E798 R937 | I773-L794 HydrophobicContact CG2-CD2 4.18Å; L775-L794 HydrophobicContact CB-CD2 4.19Å; R790-L794 HydrophobicContact CG-CD1 3.7Å; R790-L794 HydrophobicContact CG-CG 4.17Å; R790-L794 WeakPolarHBondContact O-CG 3.39Å; R790-L794 PolarHBondContact O-N 2.84Å; D791-L794 PolarHBondContact O-N 3.36Å; L794-D796 VanDerWaalsContact C-N 3.34Å; L794-D796 PolarHBondContact O-N 2.97Å; L794-V797 PolarHBondContact O-N 2.97Å; L794-E798 VanDerWaalsContact O-CB 3.26Å; L794-E798 WeakPolarHBondContact O-CB 3.2Å; L794-E798 PolarHBondContact O-N 3Å; L794-R937 HydrophobicContact CB-CG 3.88Å; L794-R937 HydrophobicContact CD1-CG 4.35Å |
| 795 | D | 91.2 | Very high | 91.2 | Very high | 89 Ų | 89 | 50.3 Ų | 50.3 | 48% | 0.476 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63.7 | -39.2 | 176.9 | -60.1 | -7.9 | 0 | 0 | 0 | 111.2 | D791 K792 L793 G799 R937 | D791-D795 WeakPolarHBondContact O-CB 3.45Å; D791-D795 PolarHBondContact O-N 3.11Å; D791-D795 VanDerWaalsContact O-OD1 3.13Å; K792-D795 PolarHBondContact O-N 2.83Å; L793-D795 VanDerWaalsContact C-N 3.34Å; D795-G799 PolarHBondContact O-N 2.82Å; D795-R937 IonicContact OD1-CZ 3.66Å; D795-R937 IonicContact OD1-NE 3.33Å; D795-R937 PolarHBondContact OD1-NE 2.91Å; D795-R937 IonicContact OD1-NH2 2.66Å; D795-R937 PolarHBondContact OD1-NH2 2.88Å |
| 796 | D | 91.5 | Very high | 91.3 | Very high | 65 Ų | 65 | 53.1 Ų | 53.1 | 35% | 0.348 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -68.4 | -29.6 | 174.9 | -70.1 | -28.3 | 0 | 0 | 0 | 113.3 | K792 L793 L794 N812 N816 | K792-D796 PolarHBondContact O-N 2.95Å; L793-D796 PolarHBondContact O-N 3.42Å; L794-D796 VanDerWaalsContact C-N 3.34Å; L794-D796 PolarHBondContact O-N 2.97Å; D796-N812 PolarHBondContact O-ND2 2.95Å; D796-N816 PolarHBondContact OD2-ND2 2.99Å |
| 797 | V | 95.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -84.1 | -40.9 | 178.9 | 173.6 | 0 | 0 | 0 | 0 | 111.4 | L764 I773 L793 L794 G799 A800 M801 A809 N812 F813 | L764-V797 HydrophobicContact CD1-CG1 4.32Å; I773-V797 HydrophobicContact CD1-CG1 4.34Å; I773-V797 HydrophobicContact CG2-CG1 3.98Å; L793-V797 HydrophobicContact CD2-CG2 4.1Å; L793-V797 VanDerWaalsContact O-CG2 3.25Å; L793-V797 WeakPolarHBondContact O-CG2 3.47Å; L793-V797 PolarHBondContact O-N 3.37Å; L794-V797 PolarHBondContact O-N 2.97Å; V797-G799 VanDerWaalsContact C-N 3.28Å; V797-G799 PolarHBondContact O-N 3.29Å; V797-A800 PolarHBondContact O-N 2.62Å; V797-M801 HydrophobicContact CG1-CG 4.13Å; V797-M801 WeakPolarHBondContact O-CG 3.45Å; V797-M801 PolarHBondContact O-N 3.35Å; V797-M801 VanDerWaalsContact O-N 3.11Å; V797-A809 HydrophobicContact CG1-CB 4.05Å; V797-N812 HydrophobicContact CG2-CB 4.25Å; V797-F813 HydrophobicContact CG2-CB 4.15Å |
| 798 | E | 91.6 | Very high | 91.9 | Very high | 29 Ų | 29 | 56.1 Ų | 56.1 | 14% | 0.136 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -59.5 | -37.4 | -179.2 | -172.4 | -173.3 | 146.8 | 0 | 0 | 112 | I773 L794 M801 R802 R937 | I773-E798 HydrophobicContact CD1-CB 4.32Å; L794-E798 VanDerWaalsContact O-CB 3.26Å; L794-E798 WeakPolarHBondContact O-CB 3.2Å; L794-E798 PolarHBondContact O-N 3Å; E798-M801 PolarHBondContact O-N 3.39Å; E798-R802 WeakPolarHBondContact O-CG 3.38Å; E798-R802 PolarHBondContact O-N 3.22Å; E798-R802 VanDerWaalsContact O-N 3.07Å; E798-R802 IonicContact OE1-CZ 3.26Å; E798-R802 IonicContact OE1-NE 3.29Å; E798-R802 PolarHBondContact OE1-NE 3.12Å; E798-R802 IonicContact OE1-NH1 3.6Å; E798-R802 IonicContact OE1-NH2 2.65Å; E798-R802 PolarHBondContact OE1-NH2 2.94Å; E798-R937 HydrophobicContact CG-CB 4.33Å; E798-R937 WeakPolarHBondContact OE2-CB 3.19Å; E798-R937 WeakPolarHBondContact OE2-CD 3.44Å; E798-R937 VanDerWaalsContact OE2-CG 3.25Å; E798-R937 WeakPolarHBondContact OE2-CG 3.19Å; E798-R937 IonicContact OE2-NE 3.9Å |
| 799 | G | 87.9 | Confident | 92.2 | Very high | 37 Ų | 37 | 48 Ų | 48 | 38% | 0.381 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -56.2 | -54.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | D795 V797 M801 R802 D803 | D795-G799 PolarHBondContact O-N 2.82Å; V797-G799 VanDerWaalsContact C-N 3.28Å; V797-G799 PolarHBondContact O-N 3.29Å; G799-M801 VanDerWaalsContact C-N 3.33Å; G799-M801 PolarHBondContact O-N 3.4Å; G799-R802 PolarHBondContact O-N 3.3Å; G799-D803 PolarHBondContact O-N 2.87Å |
| 800 | A | 91.4 | Very high | 92.4 | Very high | 13 Ų | 13 | 46.6 Ų | 46.6 | 11% | 0.107 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65.3 | -35.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | V797 R802 D803 G804 D805 Q808 A809 | V797-A800 PolarHBondContact O-N 2.62Å; A800-R802 PolarHBondContact O-N 2.64Å; A800-D803 PolarHBondContact O-N 3.12Å; A800-G804 PolarHBondContact O-N 2.92Å; A800-G804 VanDerWaalsContact O-N 3.1Å; A800-D805 PolarHBondContact O-N 2.97Å; A800-Q808 HydrophobicContact CB-CB 4.08Å; A800-A809 HydrophobicContact CB-CB 3.98Å |
| 801 | M | 91.1 | Very high | 92.5 | Very high | 4 Ų | 4 | 47.5 Ų | 47.5 | 2% | 0.02 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.9 | -32.4 | 178.1 | -70.9 | -67 | -60.8 | 0 | 0 | 113.4 | L766 M768 I773 V797 E798 G799 G804 Y806 A809 F939 | L766-M801 HydrophobicContact CB-CE 4.42Å; L766-M801 HydrophobicContact CD1-CE 4.41Å; L766-M801 HydrophobicContact CD1-SD 3.99Å; L766-M801 HydrophobicContact CD2-CE 3.93Å; L766-M801 HydrophobicContact CD2-SD 3.76Å; L766-M801 HydrophobicContact CG-CE 4.48Å; L766-M801 HydrophobicContact CG-SD 4.44Å; M768-M801 HydrophobicContact SD-CE 4.17Å; I773-M801 HydrophobicContact CD1-CB 3.83Å; I773-M801 HydrophobicContact CD1-CG 3.64Å; I773-M801 HydrophobicContact CG1-CB 4.45Å; I773-M801 HydrophobicContact CG1-CE 4.23Å; I773-M801 HydrophobicContact CG1-CG 3.9Å; V797-M801 HydrophobicContact CG1-CG 4.13Å; V797-M801 WeakPolarHBondContact O-CG 3.45Å; V797-M801 PolarHBondContact O-N 3.35Å; V797-M801 VanDerWaalsContact O-N 3.11Å; E798-M801 PolarHBondContact O-N 3.39Å; G799-M801 VanDerWaalsContact C-N 3.33Å; G799-M801 PolarHBondContact O-N 3.4Å; M801-G804 PolarHBondContact O-N 3.07Å; M801-Y806 HydrophobicContact CE-CD1 3.86Å; M801-Y806 HydrophobicContact CE-CE1 3.99Å; M801-Y806 HydrophobicContact SD-CD1 3.7Å; M801-Y806 HydrophobicContact SD-CE1 4.31Å; M801-A809 HydrophobicContact CG-CB 3.66Å; M801-A809 HydrophobicContact SD-CB 3.53Å; M801-A809 VanDerWaalsContact SD-CB 3.53Å; M801-F939 HydrophobicContact CB-CB 4.18Å; M801-F939 HydrophobicContact CB-CD1 4.41Å; M801-F939 HydrophobicContact CB-CD2 4.08Å; M801-F939 HydrophobicContact CB-CG 3.99Å; M801-F939 HydrophobicContact CE-CD1 4.18Å; M801-F939 HydrophobicContact CE-CD2 4.18Å; M801-F939 HydrophobicContact CE-CE1 3.6Å; M801-F939 HydrophobicContact CE-CE2 3.62Å; M801-F939 HydrophobicContact CE-CG 4.45Å; M801-F939 HydrophobicContact CE-CZ 3.29Å |
| 802 | R | 87.4 | Confident | 92.7 | Very high | 156 Ų | 156 | 47.3 Ų | 47.3 | 59% | 0.589 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -70 | -33.1 | 173.8 | -74 | 175.5 | 175 | -170.7 | -0.8 | 113.1 | E798 G799 A800 G804 F939 | E798-R802 WeakPolarHBondContact O-CG 3.38Å; E798-R802 PolarHBondContact O-N 3.22Å; E798-R802 VanDerWaalsContact O-N 3.07Å; E798-R802 IonicContact OE1-CZ 3.26Å; E798-R802 IonicContact OE1-NE 3.29Å; E798-R802 PolarHBondContact OE1-NE 3.12Å; E798-R802 IonicContact OE1-NH1 3.6Å; E798-R802 IonicContact OE1-NH2 2.65Å; E798-R802 PolarHBondContact OE1-NH2 2.94Å; G799-R802 PolarHBondContact O-N 3.3Å; A800-R802 PolarHBondContact O-N 2.64Å; R802-G804 VanDerWaalsContact C-N 3.27Å; R802-F939 HydrophobicContact CG-CB 4.14Å |
| 803 | D | 87.6 | Confident | 93 | Very high | 146 Ų | 146 | 43.3 Ų | 43.3 | 78% | 0.781 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -80.9 | -8.6 | 175 | -68 | -23.1 | 0 | 0 | 0 | 112.6 | G799 A800 | G799-D803 PolarHBondContact O-N 2.87Å; A800-D803 PolarHBondContact O-N 3.12Å |
| 804 | G | 87.7 | Confident | 93.2 | Very high | 32 Ų | 32 | 43.3 Ų | 43.3 | 33% | 0.33 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82.6 | 14.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | A800 M801 R802 Y806 | A800-G804 PolarHBondContact O-N 2.92Å; A800-G804 VanDerWaalsContact O-N 3.1Å; M801-G804 PolarHBondContact O-N 3.07Å; R802-G804 VanDerWaalsContact C-N 3.27Å; G804-Y806 WeakPolarHBondContact O-CE2 3.33Å; G804-Y806 PolarHBondContact O-N 2.82Å |
| 805 | D | 93.4 | Very high | 93.2 | Very high | 70 Ų | 70 | 49.1 Ų | 49.1 | 37% | 0.374 | 25% | 0.251 | S | S | . | . | trans | -93.5 | 79.7 | -178.8 | -165.3 | -28.1 | 0 | 0 | 0 | 111.3 | A800 Y807 Q808 A809 | A800-D805 PolarHBondContact O-N 2.97Å; D805-Y807 PolarHBondContact O-N 2.63Å; D805-Y807 PolarHBondContact OD1-N 3.4Å; D805-Q808 HydrophobicContact CB-CB 4.22Å; D805-Q808 HydrophobicContact CB-CG 4.48Å; D805-Q808 VanDerWaalsContact CG-CG 3.4Å; D805-Q808 PolarHBondContact O-N 2.71Å; D805-Q808 WeakPolarHBondContact OD1-CB 3.5Å; D805-Q808 WeakPolarHBondContact OD1-CG 3.2Å; D805-Q808 PolarHBondContact OD1-N 2.92Å; D805-Q808 WeakPolarHBondContact OD2-CG 3.46Å; D805-A809 WeakPolarHBondContact O-CB 3.39Å; D805-A809 PolarHBondContact O-N 3.43Å | ||
| 806 | Y | 94.7 | Very high | 93.5 | Very high | 65 Ų | 65 | 45 Ų | 45 | 26% | 0.255 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -64.1 | -27.9 | -177.6 | -47.6 | -63.1 | 0 | 0 | 0 | 113.4 | L707 M768 M801 G804 S810 | L707-Y806 HydrophobicContact CB-CD2 3.84Å; L707-Y806 HydrophobicContact CB-CG 3.96Å; L707-Y806 HydrophobicContact CD1-CD1 3.9Å; L707-Y806 HydrophobicContact CD1-CD2 4.24Å; L707-Y806 HydrophobicContact CD1-CE1 4.35Å; L707-Y806 HydrophobicContact CD1-CG 3.85Å; L707-Y806 HydrophobicContact CD2-CD2 4.07Å; L707-Y806 HydrophobicContact CD2-CE2 3.99Å; L707-Y806 HydrophobicContact CG-CD2 4.26Å; L707-Y806 HydrophobicContact CG-CG 4.32Å; M768-Y806 HydrophobicContact CE-CE1 3.54Å; M768-Y806 WeakPolarHBondContact CE-OH 3.39Å; M768-Y806 HydrophobicContact SD-CD1 4.43Å; M768-Y806 HydrophobicContact SD-CE1 3.9Å; M801-Y806 HydrophobicContact CE-CD1 3.86Å; M801-Y806 HydrophobicContact CE-CE1 3.99Å; M801-Y806 HydrophobicContact SD-CD1 3.7Å; M801-Y806 HydrophobicContact SD-CE1 4.31Å; G804-Y806 WeakPolarHBondContact O-CE2 3.33Å; G804-Y806 PolarHBondContact O-N 2.82Å; Y806-S810 VanDerWaalsContact O-CB 3.25Å; Y806-S810 WeakPolarHBondContact O-CB 3.5Å; Y806-S810 PolarHBondContact O-N 3Å; Y806-S810 PolarHBondContact O-OG 3.3Å |
| 807 | Y | 96 | Very high | 93.6 | Very high | 32 Ų | 32 | 41.9 Ų | 41.9 | 13% | 0.125 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -74.5 | -44.4 | 176.8 | 166.6 | -111.2 | 0 | 0 | 0 | 111.2 | E712 E715 L716 D805 S810 K811 | E712-Y807 HydrophobicContact CB-CD2 3.59Å; E712-Y807 HydrophobicContact CB-CE2 3.93Å; E712-Y807 HydrophobicContact CB-CG 4.29Å; E712-Y807 HydrophobicContact CG-CD1 4.33Å; E712-Y807 HydrophobicContact CG-CD2 3.49Å; E712-Y807 VanDerWaalsContact CG-CD2 3.49Å; E712-Y807 HydrophobicContact CG-CE2 3.77Å; E712-Y807 HydrophobicContact CG-CG 3.78Å; E712-Y807 WeakPolarHBondContact OE1-CB 3.24Å; E715-Y807 PolarHBondContact OE1-OH 2.67Å; E715-Y807 PolarHBondContact OE2-OH 3.34Å; L716-Y807 HydrophobicContact CD1-CD2 4.1Å; L716-Y807 HydrophobicContact CD2-CD2 4.49Å; L716-Y807 HydrophobicContact CD2-CE2 4.46Å; L716-Y807 HydrophobicContact CG-CD2 4.29Å; L716-Y807 HydrophobicContact CG-CE2 4.31Å; D805-Y807 PolarHBondContact O-N 2.63Å; D805-Y807 PolarHBondContact OD1-N 3.4Å; Y807-S810 WeakPolarHBondContact O-CB 3.25Å; Y807-S810 PolarHBondContact O-N 2.82Å; Y807-K811 HydrophobicContact CE1-CD 4.39Å; Y807-K811 VanDerWaalsContact O-CB 3.3Å; Y807-K811 WeakPolarHBondContact O-CB 3.26Å; Y807-K811 PolarHBondContact O-N 2.85Å; Y807-K811 PolarHBondContact OH-NZ 3.01Å |
| 808 | Q | 95.1 | Very high | 93.5 | Very high | 70 Ų | 70 | 44 Ų | 44 | 33% | 0.327 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -65.2 | -39.2 | 172.2 | -68.6 | -55.3 | -69.3 | 0 | 0 | 112.1 | A800 D805 S810 K811 N812 | A800-Q808 HydrophobicContact CB-CB 4.08Å; D805-Q808 HydrophobicContact CB-CB 4.22Å; D805-Q808 HydrophobicContact CB-CG 4.48Å; D805-Q808 VanDerWaalsContact CG-CG 3.4Å; D805-Q808 PolarHBondContact O-N 2.71Å; D805-Q808 WeakPolarHBondContact OD1-CB 3.5Å; D805-Q808 WeakPolarHBondContact OD1-CG 3.2Å; D805-Q808 PolarHBondContact OD1-N 2.92Å; D805-Q808 WeakPolarHBondContact OD2-CG 3.46Å; Q808-S810 VanDerWaalsContact C-N 3.33Å; Q808-S810 PolarHBondContact O-N 3.41Å; Q808-K811 PolarHBondContact O-N 2.85Å; Q808-N812 WeakPolarHBondContact O-CB 3.31Å; Q808-N812 PolarHBondContact O-N 2.97Å; Q808-N812 PolarHBondContact O-OD1 2.8Å |
| 809 | A | 95.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -55.1 | -48.9 | 172 | 0 | 0 | 0 | 0 | 0 | 111.7 | V797 A800 M801 D805 K811 N812 F813 | V797-A809 HydrophobicContact CG1-CB 4.05Å; A800-A809 HydrophobicContact CB-CB 3.98Å; M801-A809 HydrophobicContact CG-CB 3.66Å; M801-A809 HydrophobicContact SD-CB 3.53Å; M801-A809 VanDerWaalsContact SD-CB 3.53Å; D805-A809 WeakPolarHBondContact O-CB 3.39Å; D805-A809 PolarHBondContact O-N 3.43Å; A809-K811 PolarHBondContact O-N 2.85Å; A809-N812 PolarHBondContact O-N 2.83Å; A809-F813 PolarHBondContact O-N 2.85Å |
| 810 | S | 97.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.7 | -41.5 | 175.2 | -67.5 | 0 | 0 | 0 | 0 | 113 | Y806 Y807 Q808 L814 | Y806-S810 VanDerWaalsContact O-CB 3.25Å; Y806-S810 WeakPolarHBondContact O-CB 3.5Å; Y806-S810 PolarHBondContact O-N 3Å; Y806-S810 PolarHBondContact O-OG 3.3Å; Y807-S810 WeakPolarHBondContact O-CB 3.25Å; Y807-S810 PolarHBondContact O-N 2.82Å; Q808-S810 VanDerWaalsContact C-N 3.33Å; Q808-S810 PolarHBondContact O-N 3.41Å; S810-L814 PolarHBondContact O-N 2.75Å |
| 811 | K | 96.3 | Very high | 93.8 | Very high | 54 Ų | 54 | 44 Ų | 44 | 24% | 0.235 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -71 | -39.4 | -178.8 | -163.5 | 168.3 | -160.2 | 156.7 | 0 | 112.4 | E715 L716 Y807 Q808 A809 F813 L814 F815 | E715-K811 IonicContact OE1-NZ 2.71Å; E715-K811 PolarHBondContact OE1-NZ 3.34Å; E715-K811 IonicContact OE2-NZ 2.63Å; L716-K811 HydrophobicContact CD2-CB 4.38Å; Y807-K811 HydrophobicContact CE1-CD 4.39Å; Y807-K811 VanDerWaalsContact O-CB 3.3Å; Y807-K811 WeakPolarHBondContact O-CB 3.26Å; Y807-K811 PolarHBondContact O-N 2.85Å; Y807-K811 PolarHBondContact OH-NZ 3.01Å; Q808-K811 PolarHBondContact O-N 2.85Å; A809-K811 PolarHBondContact O-N 2.85Å; K811-F813 VanDerWaalsContact C-N 3.34Å; K811-F813 PolarHBondContact O-N 2.83Å; K811-L814 PolarHBondContact O-N 2.97Å; K811-F815 VanDerWaalsContact O-CB 3.29Å; K811-F815 WeakPolarHBondContact O-CB 3.36Å; K811-F815 PolarHBondContact O-N 3.44Å |
| 812 | N | 96.6 | Very high | 93.7 | Very high | 48 Ų | 48 | 48 Ų | 48 | 26% | 0.257 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -62.5 | -40.9 | 176.1 | -72.8 | -4.5 | 0 | 0 | 0 | 111.3 | D796 V797 Q808 A809 N816 | D796-N812 PolarHBondContact O-ND2 2.95Å; V797-N812 HydrophobicContact CG2-CB 4.25Å; Q808-N812 WeakPolarHBondContact O-CB 3.31Å; Q808-N812 PolarHBondContact O-N 2.97Å; Q808-N812 PolarHBondContact O-OD1 2.8Å; A809-N812 PolarHBondContact O-N 2.83Å; N812-N816 WeakPolarHBondContact O-CB 2.98Å; N812-N816 PolarHBondContact O-N 2.86Å; N812-N816 PolarHBondContact O-ND2 3.49Å |
| 813 | F | 97.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58.5 | -53.8 | 172.4 | 162.5 | -120 | 0 | 0 | 0 | 112.3 | V731 I733 A762 L764 L775 L793 V797 A809 K811 F815 N816 A817 | V731-F813 HydrophobicContact CG1-CE1 3.69Å; V731-F813 HydrophobicContact CG1-CZ 3.53Å; I733-F813 HydrophobicContact CD1-CD1 4.2Å; I733-F813 HydrophobicContact CG1-CD1 3.81Å; I733-F813 HydrophobicContact CG1-CE1 3.88Å; A762-F813 HydrophobicContact CB-CE2 4.5Å; A762-F813 HydrophobicContact CB-CZ 4.24Å; L764-F813 HydrophobicContact CB-CB 4.5Å; L764-F813 HydrophobicContact CB-CD1 3.52Å; L764-F813 HydrophobicContact CB-CD2 4.16Å; L764-F813 HydrophobicContact CB-CE1 3.59Å; L764-F813 HydrophobicContact CB-CE2 4.26Å; L764-F813 HydrophobicContact CB-CG 3.8Å; L764-F813 HydrophobicContact CB-CZ 3.96Å; L764-F813 HydrophobicContact CD1-CB 4.44Å; L764-F813 HydrophobicContact CD1-CG 4.38Å; L764-F813 HydrophobicContact CD2-CB 3.74Å; L764-F813 HydrophobicContact CD2-CD1 3.99Å; L764-F813 HydrophobicContact CD2-CG 3.96Å; L764-F813 HydrophobicContact CG-CB 4.45Å; L764-F813 HydrophobicContact CG-CD1 4.31Å; L764-F813 HydrophobicContact CG-CG 4.27Å; L775-F813 HydrophobicContact CD1-CD2 4.07Å; L775-F813 HydrophobicContact CD1-CE2 3.44Å; L775-F813 VanDerWaalsContact CD1-CE2 3.44Å; L775-F813 HydrophobicContact CD1-CZ 4.19Å; L793-F813 HydrophobicContact CD1-CD2 3.97Å; L793-F813 HydrophobicContact CD2-CD2 4.1Å; L793-F813 HydrophobicContact CG-CD2 4.46Å; V797-F813 HydrophobicContact CG2-CB 4.15Å; A809-F813 PolarHBondContact O-N 2.85Å; K811-F813 VanDerWaalsContact C-N 3.34Å; K811-F813 PolarHBondContact O-N 2.83Å; F813-F815 VanDerWaalsContact C-N 3.33Å; F813-F815 PolarHBondContact O-N 2.83Å; F813-N816 PolarHBondContact O-N 3.15Å; F813-A817 HydrophobicContact CE2-CB 4.49Å; F813-A817 VanDerWaalsContact O-CB 3.29Å; F813-A817 WeakPolarHBondContact O-CB 3.11Å; F813-A817 PolarHBondContact O-N 3.46Å |
| 814 | L | 97.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -66.4 | -35.2 | -178.3 | -64.1 | -179.9 | 0 | 0 | 0 | 112.2 | L716 Q719 A720 I723 V731 I733 S810 K811 Q818 | L716-L814 HydrophobicContact CB-CD1 4.08Å; L716-L814 HydrophobicContact CD2-CD1 3.69Å; L716-L814 VanDerWaalsContact O-CD1 3.29Å; L716-L814 WeakPolarHBondContact O-CD1 3.48Å; Q719-L814 HydrophobicContact CB-CD1 3.95Å; Q719-L814 HydrophobicContact CG-CB 3.93Å; Q719-L814 HydrophobicContact CG-CD1 4.14Å; A720-L814 HydrophobicContact CB-CD1 4.34Å; A720-L814 HydrophobicContact CB-CD2 4.06Å; I723-L814 HydrophobicContact CD1-CB 4.29Å; I723-L814 HydrophobicContact CD1-CD2 4.07Å; I723-L814 WeakPolarHBondContact CD1-O 3.09Å; V731-L814 HydrophobicContact CG1-CD2 3.72Å; I733-L814 HydrophobicContact CD1-CD1 4.02Å; I733-L814 HydrophobicContact CD1-CD2 4.42Å; I733-L814 HydrophobicContact CD1-CG 4.12Å; S810-L814 PolarHBondContact O-N 2.75Å; K811-L814 PolarHBondContact O-N 2.97Å; L814-Q818 WeakPolarHBondContact O-CB 3.46Å; L814-Q818 PolarHBondContact O-N 3.46Å |
| 815 | F | 95.9 | Very high | 93.2 | Very high | 122 Ų | 122 | 39.7 Ų | 39.7 | 54% | 0.535 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -63.2 | -51.1 | 174.2 | 179.9 | -94.1 | 0 | 0 | 0 | 111.7 | K811 F813 A817 Q818 E819 | K811-F815 VanDerWaalsContact O-CB 3.29Å; K811-F815 WeakPolarHBondContact O-CB 3.36Å; K811-F815 PolarHBondContact O-N 3.44Å; F813-F815 VanDerWaalsContact C-N 3.33Å; F813-F815 PolarHBondContact O-N 2.83Å; F815-A817 PolarHBondContact O-N 2.9Å; F815-Q818 PolarHBondContact O-N 3.48Å; F815-E819 PolarHBondContact O-N 2.78Å |
| 816 | N | 96.7 | Very high | 92.4 | Very high | 2 Ų | 2 | 38.2 Ų | 38.2 | 1% | 0.011 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.8 | -40.1 | 177.6 | -82.6 | -39 | 0 | 0 | 0 | 111.9 | K792 L793 D796 N812 F813 Q818 E819 F820 | K792-N816 PolarHBondContact NZ-OD1 2.93Å; L793-N816 HydrophobicContact CB-CB 4.22Å; L793-N816 HydrophobicContact CD1-CB 3.89Å; L793-N816 HydrophobicContact CG-CB 3.95Å; D796-N816 PolarHBondContact OD2-ND2 2.99Å; N812-N816 WeakPolarHBondContact O-CB 2.98Å; N812-N816 PolarHBondContact O-N 2.86Å; N812-N816 PolarHBondContact O-ND2 3.49Å; F813-N816 PolarHBondContact O-N 3.15Å; N816-Q818 VanDerWaalsContact C-N 3.35Å; N816-Q818 PolarHBondContact O-N 2.91Å; N816-E819 PolarHBondContact O-N 2.92Å; N816-F820 HydrophobicContact CB-CE2 3.97Å; N816-F820 HydrophobicContact CB-CZ 4.05Å; N816-F820 WeakPolarHBondContact O-CB 3.4Å; N816-F820 WeakPolarHBondContact O-CD2 3.44Å; N816-F820 WeakPolarHBondContact O-CG 3.28Å; N816-F820 PolarHBondContact O-N 2.76Å |
| 817 | A | 94.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.7 | -41.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | I723 I785 F813 F815 V821 | I723-A817 HydrophobicContact CD1-CB 4.12Å; I785-A817 HydrophobicContact CD1-CB 4.49Å; F813-A817 HydrophobicContact CE2-CB 4.49Å; F813-A817 VanDerWaalsContact O-CB 3.29Å; F813-A817 WeakPolarHBondContact O-CB 3.11Å; F813-A817 PolarHBondContact O-N 3.46Å; F815-A817 PolarHBondContact O-N 2.9Å; A817-V821 WeakPolarHBondContact O-CB 3.42Å; A817-V821 VanDerWaalsContact O-CG2 3.22Å; A817-V821 WeakPolarHBondContact O-CG2 2.99Å; A817-V821 PolarHBondContact O-N 2.6Å; A817-V821 VanDerWaalsContact O-N 3.11Å |
| 818 | Q | 93 | Very high | 89.9 | Confident | 45 Ų | 45 | 39.5 Ų | 39.5 | 21% | 0.21 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.1 | -48.1 | 173.6 | -174.7 | 69.2 | 67.7 | 0 | 0 | 111.5 | I723 L814 F815 N816 F820 V821 D822 | I723-Q818 HydrophobicContact CD1-CB 4.28Å; I723-Q818 HydrophobicContact CG1-CB 4.13Å; I723-Q818 VanDerWaalsContact CG1-OE1 3.22Å; L814-Q818 WeakPolarHBondContact O-CB 3.46Å; L814-Q818 PolarHBondContact O-N 3.46Å; F815-Q818 PolarHBondContact O-N 3.48Å; N816-Q818 VanDerWaalsContact C-N 3.35Å; N816-Q818 PolarHBondContact O-N 2.91Å; Q818-F820 VanDerWaalsContact C-N 3.34Å; Q818-F820 PolarHBondContact O-N 3.01Å; Q818-V821 PolarHBondContact O-N 3.02Å; Q818-D822 PolarHBondContact NE2-OD1 2.84Å; Q818-D822 PolarHBondContact NE2-OD2 2.98Å; Q818-D822 WeakPolarHBondContact O-CB 3.49Å; Q818-D822 PolarHBondContact O-N 2.81Å |
| 819 | E | 93.2 | Very high | 88.9 | Confident | 69 Ų | 69 | 36.3 Ų | 36.3 | 32% | 0.322 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -53.5 | -49.2 | 176.5 | -175.6 | -174.6 | -124 | 0 | 0 | 111.1 | K792 F815 N816 V821 D822 D823 | K792-E819 IonicContact NZ-OE1 3.51Å; K792-E819 IonicContact NZ-OE2 2.67Å; K792-E819 PolarHBondContact NZ-OE2 2.78Å; F815-E819 PolarHBondContact O-N 2.78Å; N816-E819 PolarHBondContact O-N 2.92Å; E819-V821 PolarHBondContact O-N 2.92Å; E819-D822 PolarHBondContact O-N 2.8Å; E819-D823 WeakPolarHBondContact O-CB 3.27Å; E819-D823 PolarHBondContact O-N 2.98Å |
| 820 | F | 93.9 | Very high | 88.1 | Confident | 4 Ų | 4 | 39.7 Ų | 39.7 | 2% | 0.018 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -71.2 | -29.1 | -176.6 | -57.3 | -23 | 0 | 0 | 0 | 114 | I785 R789 K792 L793 N816 Q818 G824 | I785-F820 HydrophobicContact CB-CD2 4.49Å; I785-F820 HydrophobicContact CG1-CD2 4.08Å; I785-F820 HydrophobicContact CG2-CD2 4.17Å; I785-F820 HydrophobicContact CG2-CE2 4.26Å; R789-F820 HydrophobicContact CB-CD1 4.46Å; R789-F820 HydrophobicContact CB-CD2 3.88Å; R789-F820 HydrophobicContact CB-CE1 4.24Å; R789-F820 HydrophobicContact CB-CE2 3.61Å; R789-F820 HydrophobicContact CB-CG 4.3Å; R789-F820 HydrophobicContact CB-CZ 3.81Å; R789-F820 HydrophobicContact CG-CD1 3.88Å; R789-F820 HydrophobicContact CG-CD2 4.18Å; R789-F820 HydrophobicContact CG-CE1 3.78Å; R789-F820 HydrophobicContact CG-CE2 4.07Å; R789-F820 HydrophobicContact CG-CG 4.09Å; R789-F820 HydrophobicContact CG-CZ 3.87Å; R789-F820 PolarHBondContact NH1-O 3.27Å; R789-F820 WeakPolarHBondContact O-CE2 3.49Å; K792-F820 HydrophobicContact CD-CE1 4.27Å; K792-F820 HydrophobicContact CD-CZ 4.06Å; L793-F820 HydrophobicContact CB-CE2 4.13Å; L793-F820 HydrophobicContact CD1-CE2 4.11Å; N816-F820 HydrophobicContact CB-CE2 3.97Å; N816-F820 HydrophobicContact CB-CZ 4.05Å; N816-F820 WeakPolarHBondContact O-CB 3.4Å; N816-F820 WeakPolarHBondContact O-CD2 3.44Å; N816-F820 WeakPolarHBondContact O-CG 3.28Å; N816-F820 PolarHBondContact O-N 2.76Å; Q818-F820 VanDerWaalsContact C-N 3.34Å; Q818-F820 PolarHBondContact O-N 3.01Å; F820-G824 PolarHBondContact O-N 3.42Å |
| 821 | V | 89.1 | Confident | 87.5 | Confident | 5 Ų | 5 | 41.5 Ų | 41.5 | 3% | 0.03 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -76.7 | -29.3 | 172.4 | 168.8 | 0 | 0 | 0 | 0 | 111.3 | I723 K726 I727 M781 Y784 A817 Q818 E819 | I723-V821 HydrophobicContact CG2-CG2 4.36Å; K726-V821 HydrophobicContact CD-CG1 3.75Å; K726-V821 HydrophobicContact CG-CG1 3.94Å; I727-V821 HydrophobicContact CG2-CB 4.32Å; I727-V821 HydrophobicContact CG2-CG1 3.64Å; I727-V821 HydrophobicContact CG2-CG2 3.63Å; M781-V821 HydrophobicContact CE-CG2 4.18Å; M781-V821 HydrophobicContact SD-CG2 3.94Å; Y784-V821 HydrophobicContact CD1-CG2 4.43Å; Y784-V821 HydrophobicContact CD2-CG2 3.98Å; Y784-V821 HydrophobicContact CE2-CG2 4.37Å; Y784-V821 HydrophobicContact CG-CG2 4.02Å; A817-V821 WeakPolarHBondContact O-CB 3.42Å; A817-V821 VanDerWaalsContact O-CG2 3.22Å; A817-V821 WeakPolarHBondContact O-CG2 2.99Å; A817-V821 PolarHBondContact O-N 2.6Å; A817-V821 VanDerWaalsContact O-N 3.11Å; Q818-V821 PolarHBondContact O-N 3.02Å; E819-V821 PolarHBondContact O-N 2.92Å |
| 822 | D | 88.2 | Confident | 86.9 | Confident | 89 Ų | 89 | 41.6 Ų | 41.6 | 48% | 0.476 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -76 | -44.6 | 176.9 | -71.1 | -6.7 | 0 | 0 | 0 | 112.3 | K726 Q818 E819 G824 | K726-D822 IonicContact NZ-OD1 3.47Å; K726-D822 PolarHBondContact NZ-OD1 2.82Å; Q818-D822 PolarHBondContact NE2-OD1 2.84Å; Q818-D822 PolarHBondContact NE2-OD2 2.98Å; Q818-D822 WeakPolarHBondContact O-CB 3.49Å; Q818-D822 PolarHBondContact O-N 2.81Å; E819-D822 PolarHBondContact O-N 2.8Å; D822-G824 PolarHBondContact O-N 3.47Å |
| 823 | D | 86.1 | Confident | 86.1 | Confident | 113 Ų | 113 | 40.3 Ų | 40.3 | 60% | 0.604 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -60.9 | -28.3 | 170.8 | -86.1 | -5.3 | 0 | 0 | 0 | 113.4 | R789 E819 | R789-D823 IonicContact CZ-OD2 3.33Å; R789-D823 IonicContact NH2-OD2 3.67Å; R789-D823 PolarHBondContact NH2-OD2 2.66Å; E819-D823 WeakPolarHBondContact O-CB 3.27Å; E819-D823 PolarHBondContact O-N 2.98Å |
| 824 | G | 83.9 | Confident | 85.3 | Confident | 21 Ų | 21 | 44.6 Ų | 44.6 | 22% | 0.216 | 26% | 0.256 | C | S | . | . | trans | 79.1 | -177.5 | -169.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | R789 F820 D822 | R789-G824 PolarHBondContact NH1-O 3.47Å; R789-G824 PolarHBondContact NH2-O 2.86Å; F820-G824 PolarHBondContact O-N 3.42Å; D822-G824 PolarHBondContact O-N 3.47Å | ||
| 825 | V | 82.4 | Confident | 84.3 | Confident | 25 Ų | 25 | 52.4 Ų | 52.4 | 15% | 0.152 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -75.1 | 131.7 | 179.5 | 176.1 | 0 | 0 | 0 | 0 | 110.6 | D783 Y784 A829 Y842 | D783-V825 HydrophobicContact CB-CB 4.43Å; D783-V825 HydrophobicContact CB-CG1 3.75Å; D783-V825 HydrophobicContact CB-CG2 3.75Å; Y784-V825 HydrophobicContact CD1-CG2 3.56Å; Y784-V825 HydrophobicContact CE1-CG2 3.7Å; Y784-V825 HydrophobicContact CG-CG2 4.14Å; V825-A829 HydrophobicContact CG1-CB 3.53Å; V825-Y842 HydrophobicContact CB-CD1 4.03Å; V825-Y842 HydrophobicContact CB-CE1 3.67Å; V825-Y842 HydrophobicContact CB-CE2 4.23Å; V825-Y842 HydrophobicContact CB-CG 4.44Å; V825-Y842 HydrophobicContact CG1-CD1 3.66Å; V825-Y842 HydrophobicContact CG1-CD2 4.05Å; V825-Y842 HydrophobicContact CG1-CE1 3.86Å; V825-Y842 HydrophobicContact CG1-CE2 4.23Å; V825-Y842 HydrophobicContact CG1-CG 3.75Å; V825-Y842 HydrophobicContact CG2-CD2 4.31Å; V825-Y842 HydrophobicContact CG2-CE1 3.97Å; V825-Y842 HydrophobicContact CG2-CE2 3.7Å; V825-Y842 VanDerWaalsContact CG2-CZ 3.49Å |
| 826 | P | 76.8 | Confident | 83.4 | Confident | 38 Ų | 38 | 51.3 Ų | 51.3 | 25% | 0.247 | 29% | 0.293 | C | S | . | . | P | Polyproline II helix | trans | -58 | 141 | 178.9 | -26.8 | 36.8 | 0 | 0 | 0 | 113.5 | G828 A829 | P826-G828 PolarHBondContact O-N 2.9Å; P826-A829 VanDerWaalsContact O-CB 3.31Å; P826-A829 WeakPolarHBondContact O-CB 3.41Å; P826-A829 PolarHBondContact O-N 3Å; P826-A829 VanDerWaalsContact O-N 3.12Å |
| 827 | G | 70.7 | Confident | 82.5 | Confident | 72 Ų | 72 | 53.4 Ų | 53.4 | 74% | 0.742 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | 128.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 828 | G | 68.8 | Low | 81.6 | Confident | 53 Ų | 53 | 59.6 Ų | 59.6 | 55% | 0.546 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.5 | 8.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | P826 | P826-G828 PolarHBondContact O-N 2.9Š|
| 829 | A | 72.3 | Confident | 80.7 | Confident | 3 Ų | 3 | 61.3 Ų | 61.3 | 3% | 0.025 | 35% | 0.352 | C | S | . | . | trans | -52.2 | 145 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | V825 P826 Y842 | V825-A829 HydrophobicContact CG1-CB 3.53Å; P826-A829 VanDerWaalsContact O-CB 3.31Å; P826-A829 WeakPolarHBondContact O-CB 3.41Å; P826-A829 PolarHBondContact O-N 3Å; P826-A829 VanDerWaalsContact O-N 3.12Å; A829-Y842 WeakPolarHBondContact O-CB 3.4Å; A829-Y842 PolarHBondContact O-N 3.22Å | ||
| 830 | Y | 80.3 | Confident | 79.8 | Confident | 70 Ų | 70 | 61.3 Ų | 61.3 | 28% | 0.275 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 151.6 | 177.8 | 60.3 | -99.7 | 0 | 0 | 0 | 110.5 | I832 I839 T840 G919 G921 S922 | Y830-I832 HydrophobicContact CD2-CD1 4.31Å; Y830-I832 HydrophobicContact CD2-CG1 3.8Å; Y830-I832 HydrophobicContact CE2-CD1 3.69Å; Y830-I832 HydrophobicContact CE2-CG1 3.68Å; Y830-I839 HydrophobicContact CD2-CG2 3.97Å; Y830-I839 HydrophobicContact CG-CG2 4.06Å; Y830-T840 CarbonylContact C-O 3.55Å; Y830-T840 WeakPolarHBondContact CA-O 3.21Å; Y830-G919 WeakPolarHBondContact CE1-O 3.29Å; Y830-G921 CarbonylContact O-C 3.5Å; Y830-G921 WeakPolarHBondContact O-CA 3.29Å; Y830-S922 PolarHBondContact O-N 3.26Å |
| 831 | R | 84.4 | Confident | 78.7 | Confident | 39 Ų | 39 | 69.7 Ų | 69.7 | 15% | 0.147 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 141.9 | 171.3 | -54.7 | 179.6 | -172.7 | -164.1 | 4.2 | 110.5 | G779 I782 D783 I839 T840 S922 T924 | G779-R831 PolarHBondContact O-NH1 3.25Å; G779-R831 PolarHBondContact O-NH2 3.21Å; I782-R831 VanDerWaalsContact CD1-NH1 3.33Å; I782-R831 HydrophobicContact CG2-CG 3.92Å; D783-R831 WeakPolarHBondContact OD1-CG 3.47Å; D783-R831 IonicContact OD1-CZ 3.31Å; D783-R831 IonicContact OD1-NE 3.41Å; D783-R831 PolarHBondContact OD1-NE 3.2Å; D783-R831 IonicContact OD1-NH2 2.7Å; D783-R831 IonicContact OD2-CZ 3.67Å; D783-R831 IonicContact OD2-NE 3.49Å; D783-R831 PolarHBondContact OD2-NE 2.63Å; D783-R831 IonicContact OD2-NH2 2.76Å; D783-R831 PolarHBondContact OD2-NH2 2.86Å; R831-I839 CarbonylContact O-C 3.58Å; R831-I839 VanDerWaalsContact O-CA 3.27Å; R831-I839 WeakPolarHBondContact O-CA 3.5Å; R831-T840 PolarHBondContact N-O 3.04Å; R831-T840 PolarHBondContact O-N 2.73Å; R831-S922 CarbonylContact C-O 3.54Å; R831-S922 WeakPolarHBondContact CA-O 3.3Å; R831-T924 HydrophobicContact CB-CG2 4.03Å; R831-T924 HydrophobicContact CG-CG2 4.25Å |
| 832 | I | 82.7 | Confident | 77.4 | Confident | 56 Ų | 56 | 73.3 Ų | 73.3 | 29% | 0.287 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 124.6 | 167.8 | -56.5 | -175.4 | 0 | 0 | 0 | 108 | Y830 I839 S922 T924 | Y830-I832 HydrophobicContact CD2-CD1 4.31Å; Y830-I832 HydrophobicContact CD2-CG1 3.8Å; Y830-I832 HydrophobicContact CE2-CD1 3.69Å; Y830-I832 HydrophobicContact CE2-CG1 3.68Å; I832-I839 HydrophobicContact CG1-CG1 4.36Å; I832-S922 PolarHBondContact N-O 3.11Å; I832-T924 VanDerWaalsContact C-OG1 3.26Å; I832-T924 PolarHBondContact O-N 2.67Å; I832-T924 PolarHBondContact O-OG1 3.02Å |
| 833 | D | 80.5 | Confident | 76.2 | Confident | 20 Ų | 20 | 78 Ų | 78 | 11% | 0.107 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 123.2 | 168.7 | 174.8 | -81.6 | 0 | 0 | 0 | 110.5 | K835 T836 G837 K838 T924 | D833-K835 VanDerWaalsContact C-N 3.29Å; D833-K835 PolarHBondContact O-N 3.36Å; D833-K835 PolarHBondContact OD1-N 3.48Å; D833-K835 VanDerWaalsContact OD1-N 3.08Å; D833-T836 WeakPolarHBondContact CB-OG1 3.4Å; D833-T836 WeakPolarHBondContact OD1-CB 3.25Å; D833-T836 WeakPolarHBondContact OD1-CG2 3.34Å; D833-T836 PolarHBondContact OD1-N 3.48Å; D833-T836 PolarHBondContact OD1-OG1 2.97Å; D833-G837 VanDerWaalsContact O-CA 3.27Å; D833-G837 WeakPolarHBondContact O-CA 3.43Å; D833-G837 PolarHBondContact O-N 2.88Å; D833-K838 HydrophobicContact CB-CB 4.3Å; D833-K838 PolarHBondContact N-O 2.89Å; D833-K838 VanDerWaalsContact N-O 3.08Å; D833-T924 CarbonylContact C-O 3.55Å; D833-T924 VanDerWaalsContact CA-O 3.3Å; D833-T924 WeakPolarHBondContact CA-O 3.33Å |
| 834 | E | 81.5 | Confident | 75 | Confident | 90 Ų | 90 | 76.7 Ų | 76.7 | 42% | 0.421 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -35.2 | -174.5 | -76.3 | 178.9 | -175.7 | 0 | 0 | 113.7 | R744 T923 T924 | R744-E834 IonicContact CZ-OE1 2.66Å; R744-E834 IonicContact CZ-OE2 2.87Å; R744-E834 IonicContact NH1-OE1 2.76Å; R744-E834 PolarHBondContact NH1-OE1 2.86Å; R744-E834 IonicContact NH1-OE2 3.54Å; R744-E834 PolarHBondContact NH1-OE2 3.29Å; R744-E834 VanDerWaalsContact NH2-CD 3.34Å; R744-E834 IonicContact NH2-OE1 3.93Å; R744-E834 PolarHBondContact NH2-OE1 3.47Å; R744-E834 IonicContact NH2-OE2 2.68Å; R744-E834 PolarHBondContact NH2-OE2 2.92Å; E834-T923 HydrophobicContact CG-CG2 3.35Å; E834-T923 WeakPolarHBondContact OE1-CG2 3.33Å; E834-T924 WeakPolarHBondContact CG-O 3.29Å; E834-T924 PolarHBondContact N-O 2.97Å |
| 835 | K | 76 | Confident | 73.8 | Confident | 164 Ų | 164 | 81.2 Ų | 81.2 | 71% | 0.713 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | -33.1 | -172.7 | -70 | 177.5 | 179.7 | 168.3 | 0 | 112.4 | D833 | D833-K835 VanDerWaalsContact C-N 3.29Å; D833-K835 PolarHBondContact O-N 3.36Å; D833-K835 PolarHBondContact OD1-N 3.48Å; D833-K835 VanDerWaalsContact OD1-N 3.08Å |
| 836 | T | 76.8 | Confident | 73 | Confident | 99 Ų | 99 | 82.7 Ų | 82.7 | 61% | 0.607 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.4 | -13.7 | -172.9 | 63.8 | 0 | 0 | 0 | 0 | 113.5 | D833 K838 | D833-T836 WeakPolarHBondContact CB-OG1 3.4Å; D833-T836 WeakPolarHBondContact OD1-CB 3.25Å; D833-T836 WeakPolarHBondContact OD1-CG2 3.34Å; D833-T836 PolarHBondContact OD1-N 3.48Å; D833-T836 PolarHBondContact OD1-OG1 2.97Å; T836-K838 PolarHBondContact O-N 2.67Å; T836-K838 VanDerWaalsContact OG1-CB 3.31Å; T836-K838 WeakPolarHBondContact OG1-CB 3.38Å; T836-K838 PolarHBondContact OG1-N 2.95Å |
| 837 | G | 77 | Confident | 72.4 | Confident | 46 Ų | 46 | 86 Ų | 86 | 47% | 0.474 | 47% | 0.466 | S | S | . | . | trans | 66 | 12.8 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | D833 I839 | D833-G837 VanDerWaalsContact O-CA 3.27Å; D833-G837 WeakPolarHBondContact O-CA 3.43Å; D833-G837 PolarHBondContact O-N 2.88Å; G837-I839 PolarHBondContact O-N 3.22Å | ||
| 838 | K | 75.2 | Confident | 72.5 | Confident | 131 Ų | 131 | 88.2 Ų | 88.2 | 57% | 0.57 | 46% | 0.46 | S | S | * | . | trans | -70.9 | 119 | -174 | -179.1 | -173.4 | 171.5 | -166.9 | 0 | 110.6 | D833 T836 | D833-K838 HydrophobicContact CB-CB 4.3Å; D833-K838 PolarHBondContact N-O 2.89Å; D833-K838 VanDerWaalsContact N-O 3.08Å; T836-K838 PolarHBondContact O-N 2.67Å; T836-K838 VanDerWaalsContact OG1-CB 3.31Å; T836-K838 WeakPolarHBondContact OG1-CB 3.38Å; T836-K838 PolarHBondContact OG1-N 2.95Å | ||
| 839 | I | 74.1 | Confident | 72.6 | Confident | 80 Ų | 80 | 89.3 Ų | 89.3 | 41% | 0.41 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 128.1 | 177.6 | -51 | -176.9 | 0 | 0 | 0 | 110.6 | Y830 R831 I832 G837 | Y830-I839 HydrophobicContact CD2-CG2 3.97Å; Y830-I839 HydrophobicContact CG-CG2 4.06Å; R831-I839 CarbonylContact O-C 3.58Å; R831-I839 VanDerWaalsContact O-CA 3.27Å; R831-I839 WeakPolarHBondContact O-CA 3.5Å; I832-I839 HydrophobicContact CG1-CG1 4.36Å; G837-I839 PolarHBondContact O-N 3.22Å |
| 840 | T | 74.4 | Confident | 72.5 | Confident | 70 Ų | 70 | 96.6 Ų | 96.6 | 43% | 0.429 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 105.6 | -179.3 | -42.9 | 0 | 0 | 0 | 0 | 109.8 | Y830 R831 | Y830-T840 CarbonylContact C-O 3.55Å; Y830-T840 WeakPolarHBondContact CA-O 3.21Å; R831-T840 PolarHBondContact N-O 3.04Å; R831-T840 PolarHBondContact O-N 2.73Å |
| 841 | R | 72.1 | Confident | 72.3 | Confident | 180 Ų | 180 | 98.6 Ų | 98.6 | 68% | 0.679 | 50% | 0.497 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 141.2 | -176.7 | -70.9 | -176.1 | 177 | 164.6 | 0.7 | 112.6 | ||
| 842 | Y | 60.8 | Low | 72 | Confident | 81 Ų | 81 | 101.1 Ų | 101.1 | 32% | 0.318 | 51% | 0.512 | S | S | . | . | trans | -62.6 | 137.6 | 170.9 | -174 | -105.6 | 0 | 0 | 0 | 110.6 | D783 V825 A829 | D783-Y842 HydrophobicContact CB-CD2 3.8Å; D783-Y842 HydrophobicContact CB-CE2 4.1Å; D783-Y842 VanDerWaalsContact OD2-CD2 3.29Å; D783-Y842 WeakPolarHBondContact OD2-CD2 3.47Å; V825-Y842 HydrophobicContact CB-CD1 4.03Å; V825-Y842 HydrophobicContact CB-CE1 3.67Å; V825-Y842 HydrophobicContact CB-CE2 4.23Å; V825-Y842 HydrophobicContact CB-CG 4.44Å; V825-Y842 HydrophobicContact CG1-CD1 3.66Å; V825-Y842 HydrophobicContact CG1-CD2 4.05Å; V825-Y842 HydrophobicContact CG1-CE1 3.86Å; V825-Y842 HydrophobicContact CG1-CE2 4.23Å; V825-Y842 HydrophobicContact CG1-CG 3.75Å; V825-Y842 HydrophobicContact CG2-CD2 4.31Å; V825-Y842 HydrophobicContact CG2-CE1 3.97Å; V825-Y842 HydrophobicContact CG2-CE2 3.7Å; V825-Y842 VanDerWaalsContact CG2-CZ 3.49Å; A829-Y842 WeakPolarHBondContact O-CB 3.4Å; A829-Y842 PolarHBondContact O-N 3.22Å | ||
| 843 | K | 63.5 | Low | 71.9 | Confident | 188 Ų | 188 | 100.1 Ų | 100.1 | 82% | 0.817 | 52% | 0.516 | S | S | * | . | trans | -113.4 | 116.3 | 177.4 | -73.9 | -175 | 176.2 | -177.5 | 0 | 109.9 | ||||
| 844 | S | 61.7 | Low | 71.9 | Confident | 84 Ų | 84 | 106.9 Ų | 106.9 | 59% | 0.587 | 55% | 0.545 | S | S | * | . | trans | -91.1 | 142.5 | 165.5 | 52.8 | 0 | 0 | 0 | 0 | 110.5 | T846 | S844-T846 PolarHBondContact O-N 2.8Š| ||
| 845 | I | 58.3 | Low | 72.1 | Confident | 116 Ų | 116 | 106.4 Ų | 106.4 | 60% | 0.595 | 55% | 0.548 | S | S | * | . | trans | -65.6 | 113.8 | 177 | -68.2 | 178.8 | 0 | 0 | 0 | 109 | E849 F850 | I845-E849 HydrophobicContact CB-CB 4.45Å; I845-E849 HydrophobicContact CG2-CB 3.61Å; I845-F850 HydrophobicContact CG2-CD2 4.01Å; I845-F850 HydrophobicContact CG2-CE2 4.4Å | ||
| 846 | T | 66.2 | Low | 72.7 | Confident | 56 Ų | 56 | 103.7 Ų | 103.7 | 34% | 0.344 | 54% | 0.54 | S | S | . | . | trans | -73 | 161.7 | 174.8 | 60.3 | 0 | 0 | 0 | 0 | 111.7 | S844 I848 E849 F850 | S844-T846 PolarHBondContact O-N 2.8Å; T846-I848 PolarHBondContact O-N 2.92Å; T846-I848 VanDerWaalsContact O-N 3.07Å; T846-E849 WeakPolarHBondContact CB-OE1 3.29Å; T846-E849 WeakPolarHBondContact CG2-OE1 3.45Å; T846-E849 PolarHBondContact N-OE1 3.16Å; T846-E849 WeakPolarHBondContact O-CA 3.5Å; T846-E849 WeakPolarHBondContact O-CB 3.39Å; T846-E849 PolarHBondContact O-N 2.93Å; T846-E849 PolarHBondContact OG1-N 2.79Å; T846-E849 PolarHBondContact OG1-OE1 2.75Å; T846-F850 PolarHBondContact O-N 3.29Å; T846-F850 VanDerWaalsContact O-N 3.14Å | ||
| 847 | P | 63.3 | Low | 73.2 | Confident | 107 Ų | 107 | 101.7 Ų | 101.7 | 70% | 0.695 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -55.3 | -25.6 | 171.4 | -27.6 | 36.2 | 0 | 0 | 0 | 114 | F850 I851 | P847-F850 WeakPolarHBondContact O-CB 3.2Å; P847-F850 PolarHBondContact O-N 3.49Å; P847-I851 PolarHBondContact O-N 3.39Å |
| 848 | I | 73 | Confident | 73.6 | Confident | 119 Ų | 119 | 101.3 Ų | 101.3 | 61% | 0.61 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -68.2 | -41 | 173.6 | -64.6 | 169.9 | 0 | 0 | 0 | 110.8 | T846 F850 I851 I852 | T846-I848 PolarHBondContact O-N 2.92Å; T846-I848 VanDerWaalsContact O-N 3.07Å; I848-F850 VanDerWaalsContact C-N 3.3Å; I848-F850 PolarHBondContact O-N 2.78Å; I848-I851 WeakPolarHBondContact O-CB 3.35Å; I848-I851 PolarHBondContact O-N 3.18Å; I848-I851 VanDerWaalsContact O-N 3.12Å; I848-I852 HydrophobicContact CG2-CD1 4.46Å; I848-I852 WeakPolarHBondContact O-CG1 3.31Å; I848-I852 PolarHBondContact O-N 2.82Å |
| 849 | E | 69.7 | Low | 74.4 | Confident | 77 Ų | 77 | 99.3 Ų | 99.3 | 36% | 0.36 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -69 | -27.9 | 175.4 | -70.4 | 157.5 | -100 | 0 | 0 | 112.4 | I845 T846 I851 I852 G853 | I845-E849 HydrophobicContact CB-CB 4.45Å; I845-E849 HydrophobicContact CG2-CB 3.61Å; T846-E849 WeakPolarHBondContact CB-OE1 3.29Å; T846-E849 WeakPolarHBondContact CG2-OE1 3.45Å; T846-E849 PolarHBondContact N-OE1 3.16Å; T846-E849 WeakPolarHBondContact O-CA 3.5Å; T846-E849 WeakPolarHBondContact O-CB 3.39Å; T846-E849 PolarHBondContact O-N 2.93Å; T846-E849 PolarHBondContact OG1-N 2.79Å; T846-E849 PolarHBondContact OG1-OE1 2.75Å; E849-I851 VanDerWaalsContact C-N 3.34Å; E849-I852 HydrophobicContact CG-CD1 4.5Å; E849-I852 PolarHBondContact O-N 3.07Å; E849-G853 PolarHBondContact O-N 2.77Å |
| 850 | F | 71.4 | Confident | 75 | Confident | 156 Ų | 156 | 98.2 Ų | 98.2 | 68% | 0.684 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -61 | -41 | 167 | -106.7 | -80.7 | 0 | 0 | 0 | 112.3 | I845 T846 P847 I848 G853 F854 | I845-F850 HydrophobicContact CG2-CD2 4.01Å; I845-F850 HydrophobicContact CG2-CE2 4.4Å; T846-F850 PolarHBondContact O-N 3.29Å; T846-F850 VanDerWaalsContact O-N 3.14Å; P847-F850 WeakPolarHBondContact O-CB 3.2Å; P847-F850 PolarHBondContact O-N 3.49Å; I848-F850 VanDerWaalsContact C-N 3.3Å; I848-F850 PolarHBondContact O-N 2.78Å; F850-G853 PolarHBondContact O-N 2.88Å; F850-F854 PolarHBondContact O-N 2.78Å |
| 851 | I | 76.3 | Confident | 75.6 | Confident | 112 Ų | 112 | 97.9 Ų | 97.9 | 57% | 0.574 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64.8 | -42.6 | 174.3 | -63 | 168.2 | 0 | 0 | 0 | 110.2 | P847 I848 E849 G853 F854 V855 | P847-I851 PolarHBondContact O-N 3.39Å; I848-I851 WeakPolarHBondContact O-CB 3.35Å; I848-I851 PolarHBondContact O-N 3.18Å; I848-I851 VanDerWaalsContact O-N 3.12Å; E849-I851 VanDerWaalsContact C-N 3.34Å; I851-G853 VanDerWaalsContact C-N 3.31Å; I851-G853 PolarHBondContact O-N 3.17Å; I851-F854 PolarHBondContact O-N 3.17Å; I851-V855 WeakPolarHBondContact O-CG2 3.43Å; I851-V855 PolarHBondContact O-N 3.36Å |
| 852 | I | 78.2 | Confident | 76.3 | Confident | 91 Ų | 91 | 94.3 Ų | 94.3 | 47% | 0.467 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -59.3 | -42.8 | 173.8 | -63.7 | 169.8 | 0 | 0 | 0 | 110.6 | I848 E849 V855 I856 | I848-I852 HydrophobicContact CG2-CD1 4.46Å; I848-I852 WeakPolarHBondContact O-CG1 3.31Å; I848-I852 PolarHBondContact O-N 2.82Å; E849-I852 HydrophobicContact CG-CD1 4.5Å; E849-I852 PolarHBondContact O-N 3.07Å; I852-V855 PolarHBondContact O-N 2.97Å; I852-I856 HydrophobicContact CG2-CD1 3.88Å; I852-I856 HydrophobicContact CG2-CG1 4.46Å; I852-I856 VanDerWaalsContact O-CG1 3.32Å; I852-I856 WeakPolarHBondContact O-CG1 3.42Å; I852-I856 PolarHBondContact O-N 2.87Å |
| 853 | G | 80.1 | Confident | 77.4 | Confident | 36 Ų | 36 | 92.9 Ų | 92.9 | 37% | 0.371 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.3 | -42.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | E849 F850 I851 I856 A857 | E849-G853 PolarHBondContact O-N 2.77Å; F850-G853 PolarHBondContact O-N 2.88Å; I851-G853 VanDerWaalsContact C-N 3.31Å; I851-G853 PolarHBondContact O-N 3.17Å; G853-I856 PolarHBondContact O-N 2.97Å; G853-A857 WeakPolarHBondContact O-CB 3.38Å; G853-A857 PolarHBondContact O-N 2.83Å |
| 854 | F | 80.8 | Confident | 78.2 | Confident | 162 Ų | 162 | 90.6 Ų | 90.6 | 71% | 0.711 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.3 | -41.9 | 173.8 | -175.5 | -93.6 | 0 | 0 | 0 | 111.9 | F850 I851 A857 A858 | F850-F854 PolarHBondContact O-N 2.78Å; I851-F854 PolarHBondContact O-N 3.17Å; F854-A857 PolarHBondContact O-N 3.49Å; F854-A858 WeakPolarHBondContact O-CB 3.31Å; F854-A858 PolarHBondContact O-N 2.88Å |
| 855 | V | 84.9 | Confident | 79.2 | Confident | 80 Ų | 80 | 92.8 Ų | 92.8 | 49% | 0.485 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.6 | -43 | 174.1 | 171.5 | 0 | 0 | 0 | 0 | 111 | I851 I852 A858 V859 | I851-V855 WeakPolarHBondContact O-CG2 3.43Å; I851-V855 PolarHBondContact O-N 3.36Å; I852-V855 PolarHBondContact O-N 2.97Å; V855-A858 PolarHBondContact O-N 2.9Å; V855-V859 HydrophobicContact CG1-CG2 4.46Å; V855-V859 WeakPolarHBondContact O-CB 3.15Å; V855-V859 VanDerWaalsContact O-CG2 3.27Å; V855-V859 WeakPolarHBondContact O-CG2 3.18Å; V855-V859 PolarHBondContact O-N 3.33Å |
| 856 | I | 89.9 | Confident | 80 | Confident | 107 Ų | 107 | 90.1 Ų | 90.1 | 55% | 0.549 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.8 | -43.1 | 175.6 | -69.1 | 165.2 | 0 | 0 | 0 | 111.2 | I852 G853 V859 A860 | I852-I856 HydrophobicContact CG2-CD1 3.88Å; I852-I856 HydrophobicContact CG2-CG1 4.46Å; I852-I856 VanDerWaalsContact O-CG1 3.32Å; I852-I856 WeakPolarHBondContact O-CG1 3.42Å; I852-I856 PolarHBondContact O-N 2.87Å; G853-I856 PolarHBondContact O-N 2.97Å; I856-V859 PolarHBondContact O-N 3.35Å; I856-A860 WeakPolarHBondContact O-CB 3.46Å; I856-A860 PolarHBondContact O-N 2.95Å |
| 857 | A | 86.1 | Confident | 80.4 | Confident | 56 Ų | 56 | 89.8 Ų | 89.8 | 46% | 0.463 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.8 | -40.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | G853 F854 A860 A861 | G853-A857 WeakPolarHBondContact O-CB 3.38Å; G853-A857 PolarHBondContact O-N 2.83Å; F854-A857 PolarHBondContact O-N 3.49Å; A857-A860 PolarHBondContact O-N 2.76Å; A857-A861 PolarHBondContact O-N 2.97Å |
| 858 | A | 86.2 | Confident | 80.7 | Confident | 39 Ų | 39 | 86.5 Ų | 86.5 | 32% | 0.322 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.8 | -44 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | F854 V855 A860 A861 I862 | F854-A858 WeakPolarHBondContact O-CB 3.31Å; F854-A858 PolarHBondContact O-N 2.88Å; V855-A858 PolarHBondContact O-N 2.9Å; A858-A860 VanDerWaalsContact C-N 3.32Å; A858-A860 PolarHBondContact O-N 2.94Å; A858-A861 PolarHBondContact O-N 2.82Å; A858-I862 WeakPolarHBondContact O-CB 3.41Å; A858-I862 WeakPolarHBondContact O-CD1 3.25Å; A858-I862 WeakPolarHBondContact O-CG1 3.47Å; A858-I862 PolarHBondContact O-N 2.92Å |
| 859 | V | 90.4 | Very high | 80.4 | Confident | 88 Ų | 88 | 87 Ų | 87 | 53% | 0.533 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61 | -38.7 | 173.5 | 167.9 | 0 | 0 | 0 | 0 | 111.4 | V855 I856 A863 | V855-V859 HydrophobicContact CG1-CG2 4.46Å; V855-V859 WeakPolarHBondContact O-CB 3.15Å; V855-V859 VanDerWaalsContact O-CG2 3.27Å; V855-V859 WeakPolarHBondContact O-CG2 3.18Å; V855-V859 PolarHBondContact O-N 3.33Å; I856-V859 PolarHBondContact O-N 3.35Å; V859-A863 WeakPolarHBondContact O-CB 3.43Å; V859-A863 PolarHBondContact O-N 3.29Å |
| 860 | A | 88.5 | Confident | 80 | Confident | 58 Ų | 58 | 88.3 Ų | 88.3 | 48% | 0.479 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -68.5 | -40.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | I856 A857 A858 A863 F864 | I856-A860 WeakPolarHBondContact O-CB 3.46Å; I856-A860 PolarHBondContact O-N 2.95Å; A857-A860 PolarHBondContact O-N 2.76Å; A858-A860 VanDerWaalsContact C-N 3.32Å; A858-A860 PolarHBondContact O-N 2.94Å; A860-A863 PolarHBondContact O-N 2.68Å; A860-F864 WeakPolarHBondContact O-CB 3.33Å; A860-F864 PolarHBondContact O-N 2.7Å |
| 861 | A | 85.9 | Confident | 79.6 | Confident | 62 Ų | 62 | 89.3 Ų | 89.3 | 51% | 0.512 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66.3 | -41.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | A857 A858 F864 F865 | A857-A861 PolarHBondContact O-N 2.97Å; A858-A861 PolarHBondContact O-N 2.82Å; A861-F864 PolarHBondContact O-N 2.77Å; A861-F865 WeakPolarHBondContact O-CB 3.28Å; A861-F865 PolarHBondContact O-N 3.32Å |
| 862 | I | 86.4 | Confident | 78.8 | Confident | 105 Ų | 105 | 87.6 Ų | 87.6 | 54% | 0.538 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62.6 | -44.4 | 171.9 | -69.6 | 164.8 | 0 | 0 | 0 | 110 | A858 F864 F865 V866 | A858-I862 WeakPolarHBondContact O-CB 3.41Å; A858-I862 WeakPolarHBondContact O-CD1 3.25Å; A858-I862 WeakPolarHBondContact O-CG1 3.47Å; A858-I862 PolarHBondContact O-N 2.92Å; I862-F864 VanDerWaalsContact C-N 3.32Å; I862-F864 PolarHBondContact O-N 3.19Å; I862-F865 PolarHBondContact O-N 3.31Å; I862-V866 HydrophobicContact CG2-CG2 4.07Å; I862-V866 WeakPolarHBondContact O-CB 3.49Å; I862-V866 WeakPolarHBondContact O-CG2 2.99Å; I862-V866 PolarHBondContact O-N 2.88Å |
| 863 | A | 83.6 | Confident | 77.5 | Confident | 51 Ų | 51 | 88.1 Ų | 88.1 | 42% | 0.421 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65 | -33.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | V859 A860 S867 | V859-A863 WeakPolarHBondContact O-CB 3.43Å; V859-A863 PolarHBondContact O-N 3.29Å; A860-A863 PolarHBondContact O-N 2.68Å; A863-S867 WeakPolarHBondContact O-CB 3.44Å; A863-S867 PolarHBondContact O-N 2.83Å; A863-S867 PolarHBondContact O-OG 3.48Å |
| 864 | F | 82.3 | Confident | 76 | Confident | 140 Ų | 140 | 90.7 Ų | 90.7 | 61% | 0.614 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -67.2 | -50.2 | 171.4 | -178.6 | -99.5 | 0 | 0 | 0 | 111.3 | A860 A861 I862 V866 S867 V868 | A860-F864 WeakPolarHBondContact O-CB 3.33Å; A860-F864 PolarHBondContact O-N 2.7Å; A861-F864 PolarHBondContact O-N 2.77Å; I862-F864 VanDerWaalsContact C-N 3.32Å; I862-F864 PolarHBondContact O-N 3.19Å; F864-V866 PolarHBondContact O-N 3.22Å; F864-S867 WeakPolarHBondContact CA-OG 3.09Å; F864-S867 PolarHBondContact O-N 3.21Å; F864-S867 PolarHBondContact O-OG 2.85Å; F864-S867 VanDerWaalsContact O-OG 3.07Å; F864-V868 HydrophobicContact CD1-CG2 4.38Å; F864-V868 HydrophobicContact CE1-CG2 3.97Å; F864-V868 HydrophobicContact CE2-CG2 4.22Å; F864-V868 HydrophobicContact CZ-CG2 3.88Å; F864-V868 WeakPolarHBondContact O-CG2 3.4Å; F864-V868 PolarHBondContact O-N 3.04Å |
| 865 | F | 81.1 | Confident | 74.4 | Confident | 130 Ų | 130 | 90.8 Ų | 90.8 | 57% | 0.57 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -58.4 | -46.1 | 175.5 | 173.1 | -100.6 | 0 | 0 | 0 | 112 | A861 I862 V868 R869 | A861-F865 WeakPolarHBondContact O-CB 3.28Å; A861-F865 PolarHBondContact O-N 3.32Å; I862-F865 PolarHBondContact O-N 3.31Å; F865-V868 PolarHBondContact O-N 2.7Å; F865-R869 VanDerWaalsContact O-CB 3.29Å; F865-R869 WeakPolarHBondContact O-CB 3.13Å; F865-R869 PolarHBondContact O-N 3.35Å |
| 866 | V | 76.3 | Confident | 72.5 | Confident | 60 Ų | 60 | 90.6 Ų | 90.6 | 36% | 0.364 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.5 | -43 | 176.9 | 168 | 0 | 0 | 0 | 0 | 110.8 | I862 F864 R869 L870 | I862-V866 HydrophobicContact CG2-CG2 4.07Å; I862-V866 WeakPolarHBondContact O-CB 3.49Å; I862-V866 WeakPolarHBondContact O-CG2 2.99Å; I862-V866 PolarHBondContact O-N 2.88Å; F864-V866 PolarHBondContact O-N 3.22Å; V866-R869 CarbonylContact O-C 3.48Å; V866-R869 PolarHBondContact O-N 3.06Å; V866-L870 HydrophobicContact CG1-CD1 3.59Å; V866-L870 HydrophobicContact CG1-CG 4.07Å; V866-L870 VanDerWaalsContact O-CB 3.27Å; V866-L870 WeakPolarHBondContact O-CB 3.29Å; V866-L870 WeakPolarHBondContact O-CG 3.49Å; V866-L870 PolarHBondContact O-N 2.66Å |
| 867 | S | 73.7 | Confident | 70.6 | Confident | 49 Ų | 49 | 88 Ų | 88 | 34% | 0.343 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -71.5 | -31.1 | 178.3 | 60.1 | 0 | 0 | 0 | 0 | 113.3 | A863 F864 R871 | A863-S867 WeakPolarHBondContact O-CB 3.44Å; A863-S867 PolarHBondContact O-N 2.83Å; A863-S867 PolarHBondContact O-OG 3.48Å; F864-S867 WeakPolarHBondContact CA-OG 3.09Å; F864-S867 PolarHBondContact O-N 3.21Å; F864-S867 PolarHBondContact O-OG 2.85Å; F864-S867 VanDerWaalsContact O-OG 3.07Å; S867-R871 WeakPolarHBondContact O-CB 3.41Å; S867-R871 WeakPolarHBondContact O-CG 3.44Å; S867-R871 PolarHBondContact O-N 3.33Å; S867-R871 VanDerWaalsContact O-N 3.1Å |
| 868 | V | 70.4 | Confident | 69.1 | Low | 38 Ų | 38 | 88.1 Ų | 88.1 | 23% | 0.23 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -64.4 | -51.7 | 165.8 | 172.7 | 0 | 0 | 0 | 0 | 109.6 | F502 F864 F865 L870 R871 Y872 | F502-V868 HydrophobicContact CD2-CG1 4.22Å; F502-V868 HydrophobicContact CE2-CG1 4.23Å; F502-V868 HydrophobicContact CE2-CG2 4.44Å; F864-V868 HydrophobicContact CD1-CG2 4.38Å; F864-V868 HydrophobicContact CE1-CG2 3.97Å; F864-V868 HydrophobicContact CE2-CG2 4.22Å; F864-V868 HydrophobicContact CZ-CG2 3.88Å; F864-V868 WeakPolarHBondContact O-CG2 3.4Å; F864-V868 PolarHBondContact O-N 3.04Å; F865-V868 PolarHBondContact O-N 2.7Å; V868-L870 VanDerWaalsContact C-N 3.32Å; V868-L870 PolarHBondContact O-N 3.35Å; V868-R871 PolarHBondContact O-N 2.88Å; V868-Y872 HydrophobicContact CG1-CD2 4.1Å; V868-Y872 WeakPolarHBondContact O-CD2 3.48Å; V868-Y872 PolarHBondContact O-N 2.65Å; V868-Y872 VanDerWaalsContact O-N 3.1Å |
| 869 | R | 65.9 | Low | 68.1 | Low | 130 Ų | 130 | 88.9 Ų | 88.9 | 49% | 0.491 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -55.7 | -43.5 | 177.8 | -173.3 | 178.5 | 177.2 | 111.6 | 0 | 112.3 | F865 V866 R871 Y872 Q873 | F865-R869 VanDerWaalsContact O-CB 3.29Å; F865-R869 WeakPolarHBondContact O-CB 3.13Å; F865-R869 PolarHBondContact O-N 3.35Å; V866-R869 CarbonylContact O-C 3.48Å; V866-R869 PolarHBondContact O-N 3.06Å; R869-R871 VanDerWaalsContact C-N 3.31Å; R869-R871 PolarHBondContact O-N 2.99Å; R869-Y872 PolarHBondContact O-N 2.86Å; R869-Q873 HydrophobicContact CG-CG 3.93Å; R869-Q873 WeakPolarHBondContact O-CB 3.48Å; R869-Q873 WeakPolarHBondContact O-CG 3.2Å; R869-Q873 PolarHBondContact O-N 3.35Å |
| 870 | L | 62.3 | Low | 67.4 | Low | 105 Ų | 105 | 91.9 Ų | 91.9 | 55% | 0.55 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -70.9 | -19.6 | 177.2 | -71 | 171.5 | 0 | 0 | 0 | 114 | V866 V868 | V866-L870 HydrophobicContact CG1-CD1 3.59Å; V866-L870 HydrophobicContact CG1-CG 4.07Å; V866-L870 VanDerWaalsContact O-CB 3.27Å; V866-L870 WeakPolarHBondContact O-CB 3.29Å; V866-L870 WeakPolarHBondContact O-CG 3.49Å; V866-L870 PolarHBondContact O-N 2.66Å; V868-L870 VanDerWaalsContact C-N 3.32Å; V868-L870 PolarHBondContact O-N 3.35Å |
| 871 | R | 62.2 | Low | 67.2 | Low | 177 Ų | 177 | 89.5 Ų | 89.5 | 67% | 0.668 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -87.6 | -21.9 | 174.9 | -80 | 174.9 | 177.8 | -161.6 | 1.6 | 113.5 | K500 S867 V868 R869 | K500-R871 PolarHBondContact NZ-O 3.12Å; S867-R871 WeakPolarHBondContact O-CB 3.41Å; S867-R871 WeakPolarHBondContact O-CG 3.44Å; S867-R871 PolarHBondContact O-N 3.33Å; S867-R871 VanDerWaalsContact O-N 3.1Å; V868-R871 PolarHBondContact O-N 2.88Å; R869-R871 VanDerWaalsContact C-N 3.31Å; R869-R871 PolarHBondContact O-N 2.99Å |
| 872 | Y | 59.2 | Low | 67.2 | Low | 76 Ų | 76 | 88.3 Ų | 88.3 | 30% | 0.298 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -120.7 | -26.9 | -170.2 | -77.1 | -91.3 | 0 | 0 | 0 | 115.4 | K500 R501 F502 I503 V868 R869 L874 | K500-Y872 HydrophobicContact CB-CE1 3.84Å; K500-Y872 HydrophobicContact CD-CE1 4.38Å; R501-Y872 WeakPolarHBondContact CA-OH 3.47Å; R501-Y872 PolarHBondContact N-OH 3.04Å; F502-Y872 HydrophobicContact CB-CD1 4.29Å; F502-Y872 HydrophobicContact CB-CE1 3.67Å; F502-Y872 HydrophobicContact CB-CE2 4.46Å; F502-Y872 HydrophobicContact CD2-CD2 4.27Å; F502-Y872 HydrophobicContact CD2-CE1 4.27Å; F502-Y872 AromaticContact CD2-CE2 3.53Å; F502-Y872 HydrophobicContact CD2-CE2 3.53Å; F502-Y872 AromaticContact CD2-CZ 3.52Å; F502-Y872 WeakPolarHBondContact CD2-OH 3.13Å; F502-Y872 HydrophobicContact CE2-CE2 4.28Å; F502-Y872 HydrophobicContact CG-CE1 4.41Å; F502-Y872 HydrophobicContact CG-CE2 4.43Å; F502-Y872 PolarHBondContact N-OH 3.15Å; I503-Y872 HydrophobicContact CG1-CE1 4.45Å; V868-Y872 HydrophobicContact CG1-CD2 4.1Å; V868-Y872 WeakPolarHBondContact O-CD2 3.48Å; V868-Y872 PolarHBondContact O-N 2.65Å; V868-Y872 VanDerWaalsContact O-N 3.1Å; R869-Y872 PolarHBondContact O-N 2.86Å; Y872-L874 PolarHBondContact O-N 2.89Å |
| 873 | Q | 51.8 | Low | 67.1 | Low | 102 Ų | 102 | 84 Ų | 84 | 48% | 0.477 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -61.3 | 128.8 | 152.3 | -63.4 | -147.3 | -74.5 | 0 | 0 | 106.3 | R869 K875 | R869-Q873 HydrophobicContact CG-CG 3.93Å; R869-Q873 WeakPolarHBondContact O-CB 3.48Å; R869-Q873 WeakPolarHBondContact O-CG 3.2Å; R869-Q873 PolarHBondContact O-N 3.35Å; Q873-K875 PolarHBondContact O-N 2.77Å |
| 874 | L | 48.6 | Very low | 67.2 | Low | 89 Ų | 89 | 88.1 Ų | 88.1 | 47% | 0.466 | 43% | 0.426 | S | S | . | . | trans | -45.6 | 118.5 | 158 | -68.1 | 170.9 | 0 | 0 | 0 | 105.4 | W496 M583 Y680 Y872 A876 | W496-L874 HydrophobicContact CH2-CD2 4.04Å; W496-L874 HydrophobicContact CZ2-CD2 4.45Å; M583-L874 HydrophobicContact CG-CD1 4.21Å; M583-L874 HydrophobicContact SD-CD1 4.11Å; Y680-L874 HydrophobicContact CD2-CD2 4.48Å; Y872-L874 PolarHBondContact O-N 2.89Å; L874-A876 PolarHBondContact O-N 2.87Å | ||
| 875 | K | 46.7 | Very low | 67.3 | Low | 164 Ų | 164 | 89.1 Ų | 89.1 | 71% | 0.713 | 43% | 0.433 | S | S | * | . | trans | -54.6 | 132.6 | -158.9 | -79 | -177.3 | 174.9 | 179.9 | 0 | 109.1 | Q873 G877 | Q873-K875 PolarHBondContact O-N 2.77Å; K875-G877 CarbonylContact O-C 3.53Å; K875-G877 VanDerWaalsContact O-C 3.32Å; K875-G877 PolarHBondContact O-N 2.86Å | ||
| 876 | A | 45.5 | Very low | 67.7 | Low | 76 Ų | 76 | 85.3 Ų | 85.3 | 63% | 0.628 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -63.3 | -1.4 | 162.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L874 T878 | L874-A876 PolarHBondContact O-N 2.87Å; A876-T878 PolarHBondContact O-N 3.02Å |
| 877 | G | 49.2 | Very low | 68.4 | Low | 54 Ų | 54 | 83.3 Ų | 83.3 | 56% | 0.557 | 41% | 0.408 | S | S | * | . | trans | -66.8 | 80.9 | 150.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | K875 | K875-G877 CarbonylContact O-C 3.53Å; K875-G877 VanDerWaalsContact O-C 3.32Å; K875-G877 PolarHBondContact O-N 2.86Å | ||
| 878 | T | 54.2 | Low | 69.4 | Low | 57 Ų | 57 | 86.6 Ų | 86.6 | 35% | 0.35 | 42% | 0.418 | S | S | . | . | P | Polyproline II helix | trans | -47.7 | 147.1 | 149.8 | 46.2 | 0 | 0 | 0 | 0 | 108.4 | K582 E585 A876 R880 | K582-T878 HydrophobicContact CB-CG2 4.32Å; K582-T878 HydrophobicContact CG-CG2 4.26Å; E585-T878 HydrophobicContact CB-CG2 4.32Å; E585-T878 WeakPolarHBondContact OE2-CG2 3.46Å; A876-T878 PolarHBondContact O-N 3.02Å; T878-R880 PolarHBondContact O-N 2.68Å; T878-R880 VanDerWaalsContact O-N 3.13Å |
| 879 | Y | 66.9 | Low | 70.5 | Confident | 55 Ų | 55 | 86.3 Ų | 86.3 | 22% | 0.216 | 42% | 0.415 | C | S | . | . | P | Polyproline II helix | trans | -57.9 | 122 | 172.4 | 163.3 | -97.6 | 0 | 0 | 0 | 108.9 | E585 Q588 P589 P882 | E585-Y879 WeakPolarHBondContact O-CB 3.27Å; Q588-Y879 HydrophobicContact CB-CD1 3.3Å; Q588-Y879 HydrophobicContact CB-CD2 3.85Å; Q588-Y879 HydrophobicContact CB-CE1 3.7Å; Q588-Y879 HydrophobicContact CB-CE2 4.23Å; Q588-Y879 HydrophobicContact CB-CG 3.34Å; Q588-Y879 HydrophobicContact CG-CD1 4.08Å; Q588-Y879 HydrophobicContact CG-CE1 4.4Å; Q588-Y879 HydrophobicContact CG-CG 4.5Å; Q588-Y879 WeakPolarHBondContact O-CD2 3.42Å; Q588-Y879 VanDerWaalsContact OE1-CD1 3.31Å; P589-Y879 HydrophobicContact CB-CD2 4.49Å; P589-Y879 HydrophobicContact CB-CE2 3.6Å; P589-Y879 HydrophobicContact CG-CE2 4.01Å; Y879-P882 WeakPolarHBondContact OH-CD 3.46Å |
| 880 | R | 75.8 | Confident | 72 | Confident | 152 Ų | 152 | 83.9 Ų | 83.9 | 57% | 0.574 | 41% | 0.412 | S | S | * | . | P | Polyproline II helix | trans | -92.9 | 118.2 | 169 | -166.4 | 171.4 | -169.2 | 178.6 | 3.8 | 107.6 | E628 T878 | E628-R880 IonicContact OE1-CZ 3.67Å; E628-R880 IonicContact OE1-NH2 2.68Å; E628-R880 PolarHBondContact OE1-NH2 3.08Å; E628-R880 IonicContact OE2-NH2 3.75Å; E628-R880 PolarHBondContact OE2-NH2 2.91Å; T878-R880 PolarHBondContact O-N 2.68Å; T878-R880 VanDerWaalsContact O-N 3.13Å |
| 881 | Y | 84.2 | Confident | 73.5 | Confident | 8 Ų | 8 | 82 Ų | 82 | 3% | 0.031 | 40% | 0.402 | C | S | . | . | P | Polyproline II helix | trans | -50.2 | 123.6 | 176 | 167.3 | -98.2 | 0 | 0 | 0 | 110.6 | I567 R568 L570 Y629 Y883 N886 | I567-Y881 HydrophobicContact CG2-CE1 3.84Å; I567-Y881 WeakPolarHBondContact CG2-OH 3.28Å; R568-Y881 PolarHBondContact N-OH 3.31Å; R568-Y881 VanDerWaalsContact O-CE2 3.27Å; R568-Y881 WeakPolarHBondContact O-CE2 3.35Å; R568-Y881 PolarHBondContact O-OH 3.08Å; L570-Y881 HydrophobicContact CB-CE2 4.34Å; L570-Y881 HydrophobicContact CD1-CD1 4.03Å; L570-Y881 HydrophobicContact CD1-CD2 4.05Å; L570-Y881 HydrophobicContact CD1-CE1 4.43Å; L570-Y881 HydrophobicContact CD1-CE2 4.47Å; L570-Y881 HydrophobicContact CD1-CG 3.82Å; Y629-Y881 AromaticContact CD2-CD1 3.82Å; Y629-Y881 HydrophobicContact CD2-CD1 3.82Å; Y629-Y881 AromaticContact CD2-CE1 3.79Å; Y629-Y881 HydrophobicContact CD2-CE1 3.79Å; Y629-Y881 AromaticContact CE2-CD1 3.31Å; Y629-Y881 HydrophobicContact CE2-CD1 3.31Å; Y629-Y881 AromaticContact CE2-CE1 3.73Å; Y629-Y881 HydrophobicContact CE2-CE1 3.73Å; Y629-Y881 HydrophobicContact CE2-CG 4.29Å; Y629-Y881 AromaticContact CZ-CD1 3.77Å; Y881-Y883 VanDerWaalsContact CE1-CA 3.42Å; Y881-Y883 PolarHBondContact O-N 2.82Å; Y881-N886 HydrophobicContact CE2-CB 3.71Å; Y881-N886 VanDerWaalsContact CE2-ND2 3.34Å; Y881-N886 WeakPolarHBondContact CE2-ND2 3.27Å; Y881-N886 WeakPolarHBondContact OH-CB 3.38Å; Y881-N886 PolarHBondContact OH-O 2.88Å |
| 882 | P | 84.2 | Confident | 75 | Confident | 37 Ų | 37 | 78 Ų | 78 | 24% | 0.24 | 40% | 0.397 | C | S | . | . | trans | -81.5 | 67.9 | -173.8 | 34.3 | -35.9 | 0 | 0 | 0 | 109.9 | Y879 R884 Q885 N886 | Y879-P882 WeakPolarHBondContact OH-CD 3.46Å; P882-R884 PolarHBondContact O-N 2.84Å; P882-Q885 HydrophobicContact CB-CB 4.36Å; P882-Q885 HydrophobicContact CB-CG 4.43Å; P882-Q885 WeakPolarHBondContact O-CB 3.49Å; P882-Q885 PolarHBondContact O-N 3.09Å; P882-N886 PolarHBondContact O-N 2.84Å; P882-N886 VanDerWaalsContact O-N 3.12Å | ||
| 883 | Y | 85.7 | Confident | 76.7 | Confident | 15 Ų | 15 | 78 Ų | 78 | 6% | 0.059 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -49.9 | -37.4 | -174.8 | 66.3 | -80.3 | 0 | 0 | 0 | 113.9 | Y629 D632 L633 Y881 Q885 N886 A887 | Y629-Y883 AromaticContact CD1-CD1 3.71Å; Y629-Y883 HydrophobicContact CD1-CD1 3.71Å; Y629-Y883 HydrophobicContact CD1-CD2 4.27Å; Y629-Y883 HydrophobicContact CD1-CE1 4.35Å; Y629-Y883 AromaticContact CD1-CG 3.68Å; Y629-Y883 HydrophobicContact CD1-CG 3.68Å; Y629-Y883 HydrophobicContact CE1-CD1 4.11Å; Y629-Y883 HydrophobicContact CE1-CG 4.43Å; Y629-Y883 HydrophobicContact CG-CD1 4.32Å; Y629-Y883 HydrophobicContact CG-CD2 4.31Å; Y629-Y883 AromaticContact CG-CG 3.83Å; Y629-Y883 HydrophobicContact CG-CG 3.83Å; D632-Y883 HydrophobicContact CB-CE2 3.65Å; D632-Y883 WeakPolarHBondContact CB-OH 3.44Å; D632-Y883 PolarHBondContact OD2-OH 2.82Å; L633-Y883 HydrophobicContact CD2-CD2 4.14Å; L633-Y883 HydrophobicContact CD2-CE2 4.4Å; L633-Y883 HydrophobicContact CG-CD2 4Å; L633-Y883 HydrophobicContact CG-CE2 4.3Å; Y881-Y883 VanDerWaalsContact CE1-CA 3.42Å; Y881-Y883 PolarHBondContact O-N 2.82Å; Y883-Q885 PolarHBondContact O-N 2.85Å; Y883-N886 PolarHBondContact O-N 2.79Å; Y883-A887 WeakPolarHBondContact O-CA 3.27Å; Y883-A887 WeakPolarHBondContact O-CB 3.27Å; Y883-A887 PolarHBondContact O-N 3.28Å |
| 884 | R | 85.5 | Confident | 78.7 | Confident | 137 Ų | 137 | 80.4 Ų | 80.4 | 52% | 0.517 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -61.5 | -22 | 174.9 | -68 | -175.2 | 171.8 | 97.7 | 4.2 | 115.3 | L633 D636 P882 | L633-R884 HydrophobicContact CD2-CG 4.45Å; D636-R884 VanDerWaalsContact CG-NH2 3.28Å; D636-R884 IonicContact OD1-CZ 3.87Å; D636-R884 IonicContact OD1-NE 2.62Å; D636-R884 IonicContact OD1-NH2 2.89Å; D636-R884 PolarHBondContact OD1-NH2 3.37Å; D636-R884 IonicContact OD2-CZ 3.66Å; D636-R884 IonicContact OD2-NE 2.68Å; D636-R884 PolarHBondContact OD2-NE 2.79Å; D636-R884 IonicContact OD2-NH2 2.59Å; D636-R884 PolarHBondContact OD2-NH2 3.38Å; P882-R884 PolarHBondContact O-N 2.84Å |
| 885 | Q | 85.1 | Confident | 80.9 | Confident | 161 Ų | 161 | 80.3 Ų | 80.3 | 75% | 0.752 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -97.2 | -36.3 | 177.7 | -63.4 | 178.5 | -5.1 | 0 | 0 | 111.3 | P882 Y883 | P882-Q885 HydrophobicContact CB-CB 4.36Å; P882-Q885 HydrophobicContact CB-CG 4.43Å; P882-Q885 WeakPolarHBondContact O-CB 3.49Å; P882-Q885 PolarHBondContact O-N 3.09Å; Y883-Q885 PolarHBondContact O-N 2.85Å |
| 886 | N | 88.8 | Confident | 83.2 | Confident | 49 Ų | 49 | 75.1 Ų | 75.1 | 26% | 0.262 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -96.8 | 5.4 | -175.2 | -66.8 | -3.6 | 0 | 0 | 0 | 113.6 | R568 Y881 P882 Y883 | R568-N886 PolarHBondContact N-O 3.13Å; Y881-N886 HydrophobicContact CE2-CB 3.71Å; Y881-N886 VanDerWaalsContact CE2-ND2 3.34Å; Y881-N886 WeakPolarHBondContact CE2-ND2 3.27Å; Y881-N886 WeakPolarHBondContact OH-CB 3.38Å; Y881-N886 PolarHBondContact OH-O 2.88Å; P882-N886 PolarHBondContact O-N 2.84Å; P882-N886 VanDerWaalsContact O-N 3.12Å; Y883-N886 PolarHBondContact O-N 2.79Å |
| 887 | A | 91 | Very high | 85.4 | Confident | 18 Ų | 18 | 75.2 Ų | 75.2 | 15% | 0.149 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 150.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112.9 | K566 I567 L633 Y883 | K566-A887 CarbonylContact O-C 3.59Å; K566-A887 WeakPolarHBondContact O-CA 3.3Å; K566-A887 WeakPolarHBondContact O-CB 3.31Å; I567-A887 HydrophobicContact CB-CB 4.35Å; I567-A887 HydrophobicContact CG1-CB 3.84Å; L633-A887 HydrophobicContact CD1-CB 3.71Å; Y883-A887 WeakPolarHBondContact O-CA 3.27Å; Y883-A887 WeakPolarHBondContact O-CB 3.27Å; Y883-A887 PolarHBondContact O-N 3.28Å |
| 888 | H | 93.4 | Very high | 87.6 | Confident | 118 Ų | 118 | 77 Ų | 77 | 55% | 0.546 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 131.1 | 174.8 | -167.5 | 71.5 | 0 | 0 | 0 | 109.8 | A565 K566 D890 | A565-H888 CarbonylContact C-O 3.44Å; A565-H888 VanDerWaalsContact CA-O 3.24Å; A565-H888 WeakPolarHBondContact CA-O 3.41Å; K566-H888 PolarHBondContact N-O 2.75Å; K566-H888 PolarHBondContact O-N 3.38Å; H888-D890 IonicContact CD2-OD1 2.66Å; H888-D890 IonicContact CD2-OD2 3.49Å; H888-D890 IonicContact NE2-OD1 3.45Å |
| 889 | L | 94.9 | Very high | 89.5 | Confident | 33 Ų | 33 | 78.3 Ų | 78.3 | 17% | 0.173 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 112.4 | 179.8 | 174.6 | 70.7 | 0 | 0 | 0 | 110.8 | K564 A565 L633 L634 T637 L891 | K564-L889 WeakPolarHBondContact O-CA 3.28Å; A565-L889 HydrophobicContact CB-CD1 4.04Å; L633-L889 HydrophobicContact CB-CB 4.35Å; L633-L889 HydrophobicContact CB-CD2 4Å; L633-L889 WeakPolarHBondContact O-CD2 3.48Å; L634-L889 HydrophobicContact CD2-CD1 4.11Å; L634-L889 HydrophobicContact CD2-CD2 4.08Å; L634-L889 HydrophobicContact CG-CD1 4.36Å; L634-L889 HydrophobicContact CG-CD2 4.29Å; T637-L889 HydrophobicContact CG2-CD2 3.8Å; L889-L891 HydrophobicContact CD2-CD2 4.1Å; L889-L891 HydrophobicContact CD2-CG 4.5Å; L889-L891 HydrophobicContact CG-CD2 4.47Å |
| 890 | D | 95.8 | Very high | 90.6 | Very high | 79 Ų | 79 | 79.9 Ų | 79.9 | 42% | 0.422 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 106.3 | 170.2 | -72.5 | -57 | 0 | 0 | 0 | 110 | G563 K564 H888 T892 | G563-D890 CarbonylContact C-O 3.5Å; G563-D890 WeakPolarHBondContact CA-O 3.28Å; K564-D890 PolarHBondContact N-O 3.14Å; K564-D890 PolarHBondContact O-N 3.16Å; H888-D890 IonicContact CD2-OD1 2.66Å; H888-D890 IonicContact CD2-OD2 3.49Å; H888-D890 IonicContact NE2-OD1 3.45Å; D890-T892 PolarHBondContact O-N 3.36Å |
| 891 | L | 94.1 | Very high | 91.4 | Very high | 65 Ų | 65 | 75.2 Ų | 75.2 | 34% | 0.34 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 118 | 175.5 | -74.8 | 177.3 | 0 | 0 | 0 | 111.4 | K562 L634 T637 L889 R894 | K562-L891 CarbonylContact O-C 3.52Å; K562-L891 WeakPolarHBondContact O-CA 3.33Å; L634-L891 HydrophobicContact CD2-CD2 4Å; T637-L891 HydrophobicContact CG2-CD1 3.99Å; T637-L891 HydrophobicContact CG2-CD2 4.22Å; T637-L891 HydrophobicContact CG2-CG 4.34Å; L889-L891 HydrophobicContact CD2-CD2 4.1Å; L889-L891 HydrophobicContact CD2-CG 4.5Å; L889-L891 HydrophobicContact CG-CD2 4.47Å; L891-R894 HydrophobicContact CD1-CB 4.38Å |
| 892 | T | 94.2 | Very high | 91.8 | Very high | 92 Ų | 92 | 79.1 Ų | 79.1 | 56% | 0.564 | 39% | 0.393 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.7 | -21.7 | 170.2 | 61.2 | 0 | 0 | 0 | 0 | 112.5 | K562 D890 | K562-T892 WeakPolarHBondContact CG-OG1 3.44Å; K562-T892 PolarHBondContact O-N 2.93Å; K562-T892 PolarHBondContact O-OG1 3.08Å; D890-T892 PolarHBondContact O-N 3.36Å |
| 893 | E | 94.3 | Very high | 92.1 | Very high | 77 Ų | 77 | 81 Ų | 81 | 36% | 0.36 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 131 | 179.5 | -162 | -174.5 | 149.2 | 0 | 0 | 110.8 | R561 K562 | R561-E893 WeakPolarHBondContact CA-O 3.42Å; K562-E893 HydrophobicContact CB-CB 3.56Å; K562-E893 PolarHBondContact N-O 3Å; K562-E893 PolarHBondContact O-N 2.67Å |
| 894 | R | 94.2 | Very high | 91.9 | Very high | 153 Ų | 153 | 83.7 Ų | 83.7 | 58% | 0.577 | 42% | 0.422 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -142 | 97.7 | 173.5 | -175.1 | -178.6 | -179.5 | 173.2 | 2.2 | 108.9 | L891 | L891-R894 HydrophobicContact CD1-CB 4.38Å |
| 895 | Q | 94.8 | Very high | 91.9 | Very high | 87 Ų | 87 | 81.5 Ų | 81.5 | 41% | 0.407 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 131.6 | -178.8 | -163.7 | -177.2 | 32.3 | 0 | 0 | 111.5 | F560 R561 Q897 | F560-Q895 HydrophobicContact CB-CB 4.31Å; F560-Q895 HydrophobicContact CD2-CB 4.46Å; F560-Q895 PolarHBondContact N-O 3.23Å; F560-Q895 PolarHBondContact O-N 2.96Å; R561-Q895 PolarHBondContact NH1-O 3.49Å; Q895-Q897 VanDerWaalsContact CD-NE2 3.28Å; Q895-Q897 HydrophobicContact CG-CG 4.03Å |
| 896 | D | 94.6 | Very high | 91.7 | Very high | 55 Ų | 55 | 81.1 Ų | 81.1 | 29% | 0.294 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 104.8 | 177.1 | -67.9 | -12.1 | 0 | 0 | 0 | 108.5 | R561 Y641 | R561-D896 IonicContact CZ-OD1 2.7Å; R561-D896 IonicContact NH1-OD1 2.68Å; R561-D896 PolarHBondContact NH1-OD1 2.96Å; R561-D896 IonicContact NH2-OD1 3.74Å; R561-D896 PolarHBondContact NH2-OD1 3Å; R561-D896 IonicContact NH2-OD2 3.21Å; R561-D896 PolarHBondContact NH2-OD2 2.84Å; R561-D896 VanDerWaalsContact NH2-OD2 3.13Å; Y641-D896 VanDerWaalsContact OH-CB 3.27Å; Y641-D896 WeakPolarHBondContact OH-CB 3.49Å; Y641-D896 PolarHBondContact OH-OD2 2.96Å |
| 897 | Q | 93.1 | Very high | 91.1 | Very high | 78 Ų | 78 | 86.7 Ų | 86.7 | 36% | 0.364 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 118.7 | -176.6 | -60.1 | -177 | 1 | 0 | 0 | 110.3 | Y557 Q558 F560 Q895 V899 | Y557-Q897 CarbonylContact C-O 3.46Å; Y557-Q897 WeakPolarHBondContact CA-O 3.43Å; Q558-Q897 PolarHBondContact N-O 3.26Å; Q558-Q897 PolarHBondContact O-N 3.29Å; F560-Q897 HydrophobicContact CE2-CG 4.27Å; Q895-Q897 VanDerWaalsContact CD-NE2 3.28Å; Q895-Q897 HydrophobicContact CG-CG 4.03Å; Q897-V899 PolarHBondContact O-N 2.83Å |
| 898 | L | 94 | Very high | 89.8 | Confident | 92 Ų | 92 | 89.9 Ų | 89.9 | 48% | 0.482 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 115.8 | 171.6 | -179.1 | 70.7 | 0 | 0 | 0 | 109.4 | K555 Y557 N900 | K555-L898 HydrophobicContact CB-CD1 3.8Å; K555-L898 HydrophobicContact CD-CD1 4.47Å; K555-L898 HydrophobicContact CG-CD1 4.03Å; Y557-L898 HydrophobicContact CD1-CB 4.02Å; Y557-L898 HydrophobicContact CD1-CD1 4.25Å; Y557-L898 HydrophobicContact CD2-CD1 4.21Å; Y557-L898 HydrophobicContact CE1-CB 3.84Å; Y557-L898 HydrophobicContact CE1-CD1 3.92Å; Y557-L898 HydrophobicContact CE1-CG 4.45Å; Y557-L898 HydrophobicContact CE2-CD1 3.88Å; Y557-L898 HydrophobicContact CG-CD1 4.39Å; L898-N900 WeakPolarHBondContact CD1-O 3.42Å |
| 899 | V | 94 | Very high | 87.6 | Confident | 84 Ų | 84 | 89 Ų | 89 | 51% | 0.509 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | -22 | -178.1 | -67.3 | 0 | 0 | 0 | 0 | 113.7 | V556 Q558 Q897 | V556-V899 HydrophobicContact CB-CG2 4.37Å; V556-V899 HydrophobicContact CG1-CG2 4.05Å; V556-V899 VanDerWaalsContact O-CG2 3.29Å; V556-V899 WeakPolarHBondContact O-CG2 3.35Å; V556-V899 PolarHBondContact O-N 2.99Å; Q558-V899 HydrophobicContact CB-CG1 3.71Å; Q558-V899 HydrophobicContact CB-CG2 4.43Å; Q897-V899 PolarHBondContact O-N 2.83Å |
| 900 | N | 91.6 | Very high | 85.3 | Confident | 87 Ų | 87 | 95 Ų | 95 | 47% | 0.465 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 151 | 174.5 | -165.9 | 7.6 | 0 | 0 | 0 | 111.4 | V556 L898 | V556-N900 HydrophobicContact CB-CB 4.18Å; V556-N900 HydrophobicContact CG2-CB 4.45Å; V556-N900 PolarHBondContact N-O 3.43Å; V556-N900 PolarHBondContact O-N 3.1Å; L898-N900 WeakPolarHBondContact CD1-O 3.42Å |
| 901 | S | 92.6 | Very high | 82.7 | Confident | 55 Ų | 55 | 97.2 Ų | 97.2 | 39% | 0.385 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 123.4 | 173.6 | -173.4 | 0 | 0 | 0 | 0 | 109.6 | T554 K555 | T554-S901 WeakPolarHBondContact O-CA 3.15Å; K555-S901 WeakPolarHBondContact CG-OG 3.18Å |
| 902 | F | 91.9 | Very high | 80.1 | Confident | 90 Ų | 90 | 99.9 Ų | 99.9 | 40% | 0.395 | 52% | 0.519 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 160.4 | 179.7 | 63.1 | -89.2 | 0 | 0 | 0 | 111.9 | E553 T554 V556 T904 | E553-F902 WeakPolarHBondContact CA-O 3.45Å; T554-F902 HydrophobicContact CG2-CE1 3.7Å; T554-F902 HydrophobicContact CG2-CE2 4.16Å; T554-F902 HydrophobicContact CG2-CZ 3.49Å; T554-F902 VanDerWaalsContact CG2-CZ 3.49Å; T554-F902 PolarHBondContact N-O 3.24Å; T554-F902 PolarHBondContact O-N 3.38Å; V556-F902 HydrophobicContact CG2-CE1 4.38Å; F902-T904 HydrophobicContact CD2-CG2 4.13Å; F902-T904 HydrophobicContact CE2-CG2 4.17Å |
| 903 | V | 90.2 | Very high | 77.3 | Confident | 76 Ų | 76 | 102.3 Ų | 102.3 | 46% | 0.461 | 53% | 0.528 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 130.1 | 179.5 | -176.1 | 0 | 0 | 0 | 0 | 109.4 | W544 Y551 T552 E553 | W544-V903 HydrophobicContact CH2-CG1 4.32Å; Y551-V903 HydrophobicContact CD1-CG1 4.11Å; T552-V903 WeakPolarHBondContact O-CA 3.18Å; E553-V903 HydrophobicContact CB-CG2 4.16Å; E553-V903 HydrophobicContact CG-CG2 4.36Å |
| 904 | T | 82.2 | Confident | 74.3 | Confident | 71 Ų | 71 | 105.7 Ų | 105.7 | 44% | 0.436 | 55% | 0.549 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 151.9 | 171.9 | 55.6 | 0 | 0 | 0 | 0 | 110.6 | Y551 T552 F902 | Y551-T904 WeakPolarHBondContact CA-O 3.4Å; T552-T904 PolarHBondContact N-O 2.89Å; T552-T904 PolarHBondContact O-N 3.3Å; F902-T904 HydrophobicContact CD2-CG2 4.13Å; F902-T904 HydrophobicContact CE2-CG2 4.17Å |
| 905 | T | 85.2 | Confident | 71.3 | Confident | 91 Ų | 91 | 106.3 Ų | 106.3 | 56% | 0.558 | 56% | 0.564 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -130.4 | 145.1 | -178.3 | 57.4 | 0 | 0 | 0 | 0 | 112.3 | I549 E550 Y551 | I549-T905 HydrophobicContact CG2-CG2 4.27Å; E550-T905 VanDerWaalsContact O-CA 3.28Å; E550-T905 WeakPolarHBondContact O-CA 3.44Å; Y551-T905 HydrophobicContact CD1-CG2 3.42Å; Y551-T905 VanDerWaalsContact CD1-CG2 3.42Å; Y551-T905 HydrophobicContact CE1-CG2 3.5Å; Y551-T905 VanDerWaalsContact CE1-CG2 3.5Å; Y551-T905 HydrophobicContact CG-CG2 4.03Å |
| 906 | R | 80.1 | Confident | 68.1 | Low | 154 Ų | 154 | 105.2 Ų | 105.2 | 58% | 0.581 | 58% | 0.576 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -143.3 | 138.6 | 179.1 | 176.5 | 178.5 | 170.6 | -132.4 | 0.7 | 111.2 | I549 E550 | I549-R906 WeakPolarHBondContact CA-O 3.47Å; E550-R906 PolarHBondContact N-O 2.77Å; E550-R906 PolarHBondContact O-N 3.45Å |
| 907 | R | 77.5 | Confident | 65.1 | Low | 166 Ų | 166 | 106.1 Ų | 106.1 | 63% | 0.626 | 60% | 0.598 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -81.3 | 139.4 | 167.9 | -94.4 | -179.5 | 172.5 | -92.9 | 1.5 | 111.3 | E548 I549 | E548-R907 WeakPolarHBondContact O-CA 3.44Å; E548-R907 IonicContact OE2-CZ 2.62Å; E548-R907 IonicContact OE2-NH1 3.84Å; E548-R907 PolarHBondContact OE2-NH1 3.08Å; I549-R907 HydrophobicContact CG1-CG 4.34Å |
| 908 | I | 62.5 | Low | 62.5 | Low | 85 Ų | 85 | 106.7 Ų | 106.7 | 44% | 0.436 | 63% | 0.625 | S | S | . | * | P | Polyproline II helix | trans | -80.9 | 119.8 | 173.9 | -56.3 | 170.6 | 0 | 0 | 0 | 109 | E548 | E548-I908 PolarHBondContact O-N 2.88Å; E548-I908 VanDerWaalsContact O-N 3.15Å |
| 909 | P | 47.1 | Very low | 60.2 | Low | 99 Ų | 99 | 102.7 Ų | 102.7 | 64% | 0.643 | 61% | 0.606 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 149.9 | -175.7 | 30.4 | -34.7 | 0 | 0 | 0 | 113.3 | ||
| 910 | K | 47.3 | Very low | 58.6 | Low | 158 Ų | 158 | 100.1 Ų | 100.1 | 69% | 0.687 | 60% | 0.596 | S | S | * | * | P | Polyproline II helix | trans | -101.2 | 146.4 | 175.4 | -66.9 | 177.6 | -176.2 | 170.3 | 0 | 111 | E548 | E548-K910 WeakPolarHBondContact OE1-CE 3.45Å; E548-K910 IonicContact OE1-NZ 2.67Å; E548-K910 PolarHBondContact OE1-NZ 2.81Å |
| 911 | P | 40.7 | Very low | 57.9 | Low | 126 Ų | 126 | 96.4 Ų | 96.4 | 82% | 0.818 | 58% | 0.579 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 151.8 | -178.8 | 29 | -34.9 | 0 | 0 | 0 | 112.6 | ||
| 912 | S | 39.3 | Very low | 57.5 | Low | 122 Ų | 122 | 94 Ų | 94 | 85% | 0.853 | 56% | 0.562 | S | S | * | * | trans | -112.1 | 145.5 | -178.5 | 54.6 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 913 | N | 35.3 | Very low | 57.3 | Low | 142 Ų | 142 | 91.7 Ų | 91.7 | 76% | 0.759 | 56% | 0.555 | S | S | * | * | trans | -94.5 | 135 | -175.1 | -131.1 | 3.6 | 0 | 0 | 0 | 110.4 | ||||
| 914 | N | 32.5 | Very low | 57.4 | Low | 149 Ų | 149 | 88.3 Ų | 88.3 | 80% | 0.797 | 54% | 0.535 | S | S | * | . | trans | -149.3 | 139.4 | 175.6 | -155.5 | 8.3 | 0 | 0 | 0 | 113.6 | ||||
| 915 | N | 31.6 | Very low | 57.8 | Low | 165 Ų | 165 | 85.4 Ų | 85.4 | 88% | 0.882 | 52% | 0.516 | S | S | * | . | trans | -74.4 | 143.9 | -172.9 | -82.2 | -17.9 | 0 | 0 | 0 | 113.2 | ||||
| 916 | G | 27.9 | Very low | 57.9 | Low | 64 Ų | 64 | 84 Ų | 84 | 66% | 0.66 | 51% | 0.511 | S | S | * | . | trans | 171.2 | 113.1 | 164.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 917 | G | 31 | Very low | 57.9 | Low | 74 Ų | 74 | 77.7 Ų | 77.7 | 76% | 0.763 | 49% | 0.49 | S | S | * | . | trans | 60.6 | 85.4 | 148.5 | 0 | 0 | 0 | 0 | 0 | 119.3 | G919 | G917-G919 VanDerWaalsContact C-N 3.26Å; G917-G919 PolarHBondContact O-N 2.99Å | ||
| 918 | G | 38 | Very low | 57.9 | Low | 90 Ų | 90 | 72 Ų | 72 | 93% | 0.928 | 48% | 0.483 | S | S | * | . | 61 | 4.4 | 129.1 | 0 | 0 | 0 | 0 | 0 | 121.2 | G920 | G918-G920 PolarHBondContact O-N 2.85Š| |||
| 919 | G | 46.2 | Very low | 58.8 | Low | 9 Ų | 9 | 70.8 Ų | 70.8 | 9% | 0.093 | 49% | 0.492 | C | S | . | . | trans | -72.4 | 123.5 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110 | Y830 G917 G921 | Y830-G919 WeakPolarHBondContact CE1-O 3.29Å; G917-G919 VanDerWaalsContact C-N 3.26Å; G917-G919 PolarHBondContact O-N 2.99Å; G919-G921 PolarHBondContact O-N 2.85Å | ||
| 920 | G | 60 | Low | 60.5 | Low | 29 Ų | 29 | 66.1 Ų | 66.1 | 30% | 0.299 | 46% | 0.462 | S | S | . | . | trans | -68 | 112.5 | 169 | 0 | 0 | 0 | 0 | 0 | 108.9 | N786 G918 | N786-G920 WeakPolarHBondContact ND2-CA 3.28Å; N786-G920 PolarHBondContact ND2-O 3.4Å; G918-G920 PolarHBondContact O-N 2.85Å | ||
| 921 | G | 75.9 | Confident | 62.4 | Low | 10 Ų | 10 | 60.6 Ų | 60.6 | 10% | 0.103 | 44% | 0.441 | C | S | . | . | trans | -73.3 | 166.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | D787 Y830 G919 | D787-G921 WeakPolarHBondContact CB-O 3.48Å; D787-G921 PolarHBondContact N-O 2.82Å; Y830-G921 CarbonylContact O-C 3.5Å; Y830-G921 WeakPolarHBondContact O-CA 3.29Å; G919-G921 PolarHBondContact O-N 2.85Å | ||
| 922 | S | 85.5 | Confident | 64.9 | Low | 3 Ų | 3 | 54.6 Ų | 54.6 | 2% | 0.021 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 122.6 | 169.1 | -45.8 | 0 | 0 | 0 | 0 | 108.7 | I782 N786 Y830 R831 I832 | I782-S922 VanDerWaalsContact O-CB 3.24Å; I782-S922 WeakPolarHBondContact O-CB 3.29Å; I782-S922 PolarHBondContact O-OG 2.66Å; N786-S922 WeakPolarHBondContact CA-OG 3.35Å; N786-S922 WeakPolarHBondContact CB-OG 3.41Å; Y830-S922 PolarHBondContact O-N 3.26Å; R831-S922 CarbonylContact C-O 3.54Å; R831-S922 WeakPolarHBondContact CA-O 3.3Å; I832-S922 PolarHBondContact N-O 3.11Å |
| 923 | T | 88.3 | Confident | 67.4 | Low | 42 Ų | 42 | 48.9 Ų | 48.9 | 26% | 0.258 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 136.1 | 175.7 | -59.7 | 0 | 0 | 0 | 0 | 108.9 | D787 E834 G933 | D787-T923 VanDerWaalsContact CG-N 3.28Å; D787-T923 PolarHBondContact OD1-N 2.97Å; D787-T923 WeakPolarHBondContact OD2-CB 3.46Å; D787-T923 PolarHBondContact OD2-N 2.87Å; D787-T923 PolarHBondContact OD2-OG1 3.23Å; E834-T923 HydrophobicContact CG-CG2 3.35Å; E834-T923 WeakPolarHBondContact OE1-CG2 3.33Å; T923-G933 WeakPolarHBondContact O-CA 3.27Å |
| 924 | T | 91.1 | Very high | 70.1 | Confident | 5 Ų | 5 | 42.5 Ų | 42.5 | 3% | 0.031 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 151.1 | -170.5 | 53.3 | 0 | 0 | 0 | 0 | 112.8 | I782 R831 I832 D833 E834 T931 F932 | I782-T924 HydrophobicContact CD1-CG2 4.22Å; I782-T924 HydrophobicContact CG2-CG2 3.54Å; R831-T924 HydrophobicContact CB-CG2 4.03Å; R831-T924 HydrophobicContact CG-CG2 4.25Å; I832-T924 VanDerWaalsContact C-OG1 3.26Å; I832-T924 PolarHBondContact O-N 2.67Å; I832-T924 PolarHBondContact O-OG1 3.02Å; D833-T924 CarbonylContact C-O 3.55Å; D833-T924 VanDerWaalsContact CA-O 3.3Å; D833-T924 WeakPolarHBondContact CA-O 3.33Å; E834-T924 WeakPolarHBondContact CG-O 3.29Å; E834-T924 PolarHBondContact N-O 2.97Å; T924-T931 HydrophobicContact CG2-CG2 4.35Å; T924-F932 CarbonylContact C-O 3.58Å; T924-F932 WeakPolarHBondContact CA-O 3.35Å; T924-F932 VanDerWaalsContact CB-O 3.25Å; T924-F932 WeakPolarHBondContact CB-O 3.38Å |
| 925 | H | 91.6 | Very high | 72.9 | Confident | 10 Ų | 10 | 36 Ų | 36 | 5% | 0.046 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 150.6 | -178.8 | 57.4 | -68.2 | 0 | 0 | 0 | 110.3 | R744 D748 F932 | R744-H925 PolarHBondContact NE-CE1 2.98Å; R744-H925 PolarHBondContact NE-NE2 2.95Å; R744-H925 PolarHBondContact NH2-CE1 3.1Å; R744-H925 VanDerWaalsContact NH2-CE1 3.35Å; R744-H925 VanDerWaalsContact NH2-CG 3.28Å; R744-H925 PolarHBondContact NH2-ND1 3.28Å; D748-H925 IonicContact OD1-CE1 2.62Å; D748-H925 IonicContact OD1-NE2 3.22Å; D748-H925 PolarHBondContact OD1-NE2 2.86Å; D748-H925 IonicContact OD2-CD2 2.86Å; D748-H925 PolarHBondContact OD2-CD2 3.15Å; D748-H925 IonicContact OD2-CE1 2.73Å; D748-H925 IonicContact OD2-NE2 3.92Å; D748-H925 PolarHBondContact OD2-NE2 2.82Å; H925-F932 PolarHBondContact N-O 2.94Å; H925-F932 PolarHBondContact ND1-O 2.87Å; H925-F932 PolarHBondContact O-N 2.96Å |
| 926 | S | 85.6 | Confident | 75.8 | Confident | 63 Ų | 63 | 29.1 Ų | 29.1 | 44% | 0.441 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 119.2 | 175.7 | -62.2 | 0 | 0 | 0 | 0 | 110.5 | G930 | S926-G930 WeakPolarHBondContact CA-O 3.21Å |
| 927 | S | 80.9 | Confident | 78.6 | Confident | 20 Ų | 20 | 29.1 Ų | 29.1 | 14% | 0.14 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 131.7 | 172 | -171.4 | 0 | 0 | 0 | 0 | 110.4 | G929 G930 F932 | S927-G929 PolarHBondContact O-N 3.01Å; S927-G930 PolarHBondContact N-O 2.79Å; S927-G930 PolarHBondContact O-N 2.84Å; S927-F932 WeakPolarHBondContact O-CE2 3.44Å |
| 928 | G | 77.4 | Confident | 81.4 | Confident | 48 Ų | 48 | 29.7 Ų | 29.7 | 50% | 0.495 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.7 | 19.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | R752 | R752-G928 PolarHBondContact NH1-O 3.22Š|
| 929 | G | 80.7 | Confident | 83.5 | Confident | 59 Ų | 59 | 27 Ų | 27 | 61% | 0.608 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 89.8 | -0.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | N757 S927 | N757-G929 PolarHBondContact ND2-O 2.89Å; S927-G929 PolarHBondContact O-N 3.01Å |
| 930 | G | 82.9 | Confident | 85.4 | Confident | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.01 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 159.2 | 170 | 0 | 0 | 0 | 0 | 0 | 112.3 | S926 S927 F932 | S926-G930 WeakPolarHBondContact CA-O 3.21Å; S927-G930 PolarHBondContact N-O 2.79Å; S927-G930 PolarHBondContact O-N 2.84Å; G930-F932 VanDerWaalsContact C-CE2 3.46Å; G930-F932 WeakPolarHBondContact O-CD2 3.3Å; G930-F932 WeakPolarHBondContact O-CE2 3.47Å |
| 931 | T | 88.5 | Confident | 86.7 | Confident | 41 Ų | 41 | 27.8 Ų | 27.8 | 25% | 0.252 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 126.5 | 173.1 | -40.4 | 0 | 0 | 0 | 0 | 109.9 | D758 S778 T924 | D758-T931 WeakPolarHBondContact OD1-CA 3.34Å; D758-T931 WeakPolarHBondContact OD1-CB 3.33Å; D758-T931 PolarHBondContact OD1-N 2.98Å; D758-T931 PolarHBondContact OD1-OG1 2.8Å; S778-T931 PolarHBondContact OG-O 2.87Å; T924-T931 HydrophobicContact CG2-CG2 4.35Å |
| 932 | F | 93 | Very high | 87.3 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 150 | 177.9 | -60.9 | -81.9 | 0 | 0 | 0 | 109.9 | D748 L751 R752 T777 T924 H925 S927 G930 | D748-F932 HydrophobicContact CB-CD1 4.27Å; D748-F932 HydrophobicContact CB-CD2 4.09Å; D748-F932 HydrophobicContact CB-CE2 4.39Å; D748-F932 HydrophobicContact CB-CG 4.05Å; D748-F932 WeakPolarHBondContact OD1-CB 3.45Å; L751-F932 HydrophobicContact CB-CE1 4.39Å; L751-F932 HydrophobicContact CD2-CD1 4.03Å; L751-F932 HydrophobicContact CD2-CE1 4.08Å; L751-F932 HydrophobicContact CG-CE1 4.19Å; R752-F932 HydrophobicContact CB-CE1 4.36Å; R752-F932 HydrophobicContact CB-CZ 3.73Å; R752-F932 HydrophobicContact CG-CZ 4.08Å; T777-F932 CarbonylContact O-C 3.51Å; T777-F932 VanDerWaalsContact O-CA 3.28Å; T777-F932 WeakPolarHBondContact O-CA 3.41Å; T924-F932 CarbonylContact C-O 3.58Å; T924-F932 WeakPolarHBondContact CA-O 3.35Å; T924-F932 VanDerWaalsContact CB-O 3.25Å; T924-F932 WeakPolarHBondContact CB-O 3.38Å; H925-F932 PolarHBondContact N-O 2.94Å; H925-F932 PolarHBondContact ND1-O 2.87Å; H925-F932 PolarHBondContact O-N 2.96Å; S927-F932 WeakPolarHBondContact O-CE2 3.44Å; G930-F932 VanDerWaalsContact C-CE2 3.46Å; G930-F932 WeakPolarHBondContact O-CD2 3.3Å; G930-F932 WeakPolarHBondContact O-CE2 3.47Å |
| 933 | G | 91.7 | Very high | 87.4 | Confident | 2 Ų | 2 | 30.3 Ų | 30.3 | 2% | 0.021 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 163.8 | 161.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | S776 T777 T923 | S776-G933 CarbonylContact C-O 3.41Å; T777-G933 PolarHBondContact N-O 2.93Å; T777-G933 PolarHBondContact O-N 2.76Å; T777-G933 PolarHBondContact OG1-O 3.01Å; T923-G933 WeakPolarHBondContact O-CA 3.27Å |
| 934 | G | 91 | Very high | 87.4 | Confident | 9 Ų | 9 | 29.6 Ų | 29.6 | 9% | 0.093 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 161.8 | -162.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115 | L775 R790 | L775-G934 CarbonylContact O-C 3.58Å; L775-G934 WeakPolarHBondContact O-CA 3.28Å; R790-G934 WeakPolarHBondContact CD-O 3.48Å; R790-G934 PolarHBondContact NH1-O 3.33Å |
| 935 | G | 92.6 | Very high | 87.2 | Confident | 12 Ų | 12 | 31.2 Ų | 31.2 | 12% | 0.124 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 164.3 | 167 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y774 L775 | Y774-G935 PolarHBondContact OH-N 2.91Å; L775-G935 PolarHBondContact N-O 3.24Å; L775-G935 PolarHBondContact O-N 2.81Å |
| 936 | G | 91.4 | Very high | 86.8 | Confident | 21 Ų | 21 | 32.7 Ų | 32.7 | 22% | 0.216 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 175.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | I773 | I773-G936 CarbonylContact O-C 3.58Å; I773-G936 WeakPolarHBondContact O-CA 3.46Å |
| 937 | R | 88.2 | Confident | 86.9 | Confident | 63 Ų | 63 | 30.4 Ų | 30.4 | 24% | 0.238 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 136.4 | 174.3 | -65.7 | -66.9 | -169.9 | -90.1 | -5.5 | 109.1 | E772 I773 D791 L794 D795 E798 | E772-R937 WeakPolarHBondContact CA-O 3.48Å; E772-R937 WeakPolarHBondContact CG-O 3.42Å; I773-R937 HydrophobicContact CD1-CB 4.48Å; I773-R937 PolarHBondContact N-O 3.23Å; I773-R937 PolarHBondContact O-N 2.66Å; D791-R937 IonicContact OD1-CZ 2.67Å; D791-R937 IonicContact OD1-NH1 3.52Å; D791-R937 IonicContact OD1-NH2 2.89Å; D791-R937 PolarHBondContact OD1-NH2 3.3Å; L794-R937 HydrophobicContact CB-CG 3.88Å; L794-R937 HydrophobicContact CD1-CG 4.35Å; D795-R937 IonicContact OD1-CZ 3.66Å; D795-R937 IonicContact OD1-NE 3.33Å; D795-R937 PolarHBondContact OD1-NE 2.91Å; D795-R937 IonicContact OD1-NH2 2.66Å; D795-R937 PolarHBondContact OD1-NH2 2.88Å; E798-R937 HydrophobicContact CG-CB 4.33Å; E798-R937 WeakPolarHBondContact OE2-CB 3.19Å; E798-R937 WeakPolarHBondContact OE2-CD 3.44Å; E798-R937 VanDerWaalsContact OE2-CG 3.25Å; E798-R937 WeakPolarHBondContact OE2-CG 3.19Å; E798-R937 IonicContact OE2-NE 3.9Å |
| 938 | S | 88.3 | Confident | 87.4 | Confident | 87 Ų | 87 | 31.3 Ų | 31.3 | 61% | 0.608 | 23% | 0.234 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 146 | 163.7 | 50.1 | 0 | 0 | 0 | 0 | 110.5 | R771 | R771-S938 WeakPolarHBondContact O-CA 3.46Å |
| 939 | F | 83.6 | Confident | 88.3 | Confident | 32 Ų | 32 | 29.7 Ų | 29.7 | 14% | 0.14 | 21% | 0.21 | C | C | . | . | trans | -125.1 | 0 | -179.9 | 60.8 | -85.9 | 0 | 0 | 0 | 112 | M768 R771 I773 M801 R802 | M768-F939 HydrophobicContact CE-CE2 4.39Å; M768-F939 HydrophobicContact CE-CZ 4.4Å; M768-F939 HydrophobicContact SD-CE2 4.49Å; M768-F939 HydrophobicContact SD-CZ 3.97Å; R771-F939 HydrophobicContact CB-CE1 4.44Å; R771-F939 HydrophobicContact CB-CE2 4.44Å; R771-F939 HydrophobicContact CB-CZ 4.25Å; R771-F939 PolarHBondContact NH1-O 2.83Å; R771-F939 PolarHBondContact NH2-O 2.9Å; R771-F939 PolarHBondContact NH2-OXT 2.74Å; R771-F939 WeakPolarHBondContact O-CD1 3.18Å; R771-F939 WeakPolarHBondContact O-CE1 3.1Å; R771-F939 PolarHBondContact O-N 3.46Å; I773-F939 HydrophobicContact CD1-CB 4.32Å; I773-F939 HydrophobicContact CD1-CD1 3.69Å; I773-F939 HydrophobicContact CD1-CE1 4.39Å; I773-F939 HydrophobicContact CD1-CG 4.28Å; I773-F939 HydrophobicContact CG1-CD1 3.66Å; I773-F939 HydrophobicContact CG1-CE1 3.87Å; M801-F939 HydrophobicContact CB-CB 4.18Å; M801-F939 HydrophobicContact CB-CD1 4.41Å; M801-F939 HydrophobicContact CB-CD2 4.08Å; M801-F939 HydrophobicContact CB-CG 3.99Å; M801-F939 HydrophobicContact CE-CD1 4.18Å; M801-F939 HydrophobicContact CE-CD2 4.18Å; M801-F939 HydrophobicContact CE-CE1 3.6Å; M801-F939 HydrophobicContact CE-CE2 3.62Å; M801-F939 HydrophobicContact CE-CG 4.45Å; M801-F939 HydrophobicContact CE-CZ 3.29Å; R802-F939 HydrophobicContact CG-CB 4.14Å |
Retrieved 939 of 939 residues in 322.3 ms
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