| 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 | 28.7 | Very low | 46.5 | Very low | 245 Ų | 245 | 123.2 Ų | 123.2 | 100% | 1.207 | 65% | 0.654 | S | S | * | * | 0 | 115.5 | 0 | -79.5 | 167.4 | -152.3 | 0 | 0 | 107 | G3 | M1-G3 PolarHBondContact O-N 2.94Š| |||
| 2 | K | 28.7 | Very low | 49.5 | Very low | 189 Ų | 189 | 113.1 Ų | 113.1 | 82% | 0.822 | 60% | 0.6 | S | S | * | * | trans | -72 | 106.1 | 166 | -77.5 | 179.8 | 171.8 | -173.7 | 0 | 105.6 | F4 | K2-F4 PolarHBondContact O-N 2.89Š| ||
| 3 | G | 25.5 | Very low | 52.1 | Low | 73 Ų | 73 | 105.9 Ų | 105.9 | 75% | 0.753 | 57% | 0.57 | S | S | * | * | trans | -70.1 | 105.4 | 159.3 | 0 | 0 | 0 | 0 | 0 | 105.1 | M1 L5 | M1-G3 PolarHBondContact O-N 2.94Å; G3-L5 PolarHBondContact O-N 3.2Å | ||
| 4 | F | 29 | Very low | 54.5 | Low | 182 Ų | 182 | 99.8 Ų | 99.8 | 80% | 0.798 | 54% | 0.537 | S | S | * | . | trans | -60 | 124.8 | 163.7 | -77.3 | -96.9 | 0 | 0 | 0 | 105.6 | K2 E6 | K2-F4 PolarHBondContact O-N 2.89Å; F4-E6 VanDerWaalsContact C-N 3.34Å; F4-E6 PolarHBondContact O-N 3.33Å | ||
| 5 | L | 38.6 | Very low | 56.6 | Low | 107 Ų | 107 | 93.5 Ų | 93.5 | 56% | 0.56 | 50% | 0.503 | S | S | * | . | trans | -51.2 | 112.7 | 150 | -79.2 | 148.5 | 0 | 0 | 0 | 104 | G3 D7 D100 | G3-L5 PolarHBondContact O-N 3.2Å; L5-D7 PolarHBondContact O-N 3.26Å; L5-D100 HydrophobicContact CD1-CB 4.47Å | ||
| 6 | E | 38.6 | Very low | 58.1 | Low | 176 Ų | 176 | 93.7 Ų | 93.7 | 82% | 0.822 | 50% | 0.504 | S | S | * | . | trans | -47.7 | 135.3 | 161.2 | -75.4 | 178.6 | 150.5 | 0 | 0 | 106.2 | F4 A8 | F4-E6 VanDerWaalsContact C-N 3.34Å; F4-E6 PolarHBondContact O-N 3.33Å; E6-A8 WeakPolarHBondContact O-CA 3.49Å; E6-A8 PolarHBondContact O-N 3.45Å | ||
| 7 | D | 39.5 | Very low | 58.9 | Low | 145 Ų | 145 | 99.1 Ų | 99.1 | 78% | 0.775 | 53% | 0.525 | S | S | * | . | trans | -52.6 | 93.2 | 177 | -71.7 | -43.5 | 0 | 0 | 0 | 108 | L5 N9 | L5-D7 PolarHBondContact O-N 3.26Å; D7-N9 PolarHBondContact O-N 2.96Å | ||
| 8 | A | 56.1 | Low | 59.7 | Low | 35 Ų | 35 | 97.2 Ų | 97.2 | 29% | 0.289 | 53% | 0.534 | S | S | . | . | trans | -82.8 | 81.3 | -169.1 | 0 | 0 | 0 | 0 | 0 | 106.4 | E6 Y10 | E6-A8 WeakPolarHBondContact O-CA 3.49Å; E6-A8 PolarHBondContact O-N 3.45Å; A8-Y10 HydrophobicContact CB-CE1 3.8Å; A8-Y10 VanDerWaalsContact CB-OH 3.27Å; A8-Y10 WeakPolarHBondContact CB-OH 3.27Å; A8-Y10 WeakPolarHBondContact O-CD2 3.29Å; A8-Y10 VanDerWaalsContact O-CE2 3.22Å; A8-Y10 WeakPolarHBondContact O-CE2 3.3Å; A8-Y10 PolarHBondContact O-N 3.36Å | ||
| 9 | N | 69.3 | Low | 60.9 | Low | 95 Ų | 95 | 93.4 Ų | 93.4 | 51% | 0.508 | 52% | 0.516 | S | S | . | . | trans | -68.3 | 114.5 | 172.5 | -68.4 | -16.8 | 0 | 0 | 0 | 108 | D7 N429 F431 | D7-N9 PolarHBondContact O-N 2.96Å; N9-N429 CarbonylContact C-O 3.49Å; N9-N429 WeakPolarHBondContact CA-O 3.47Å; N9-F431 HydrophobicContact CB-CD2 3.58Å; N9-F431 HydrophobicContact CB-CE2 3.41Å; N9-F431 VanDerWaalsContact CB-CE2 3.41Å; N9-F431 HydrophobicContact CB-CZ 4.35Å; N9-F431 WeakPolarHBondContact OD1-CE2 3.49Å | ||
| 10 | Y | 77 | Confident | 62.2 | Low | 31 Ų | 31 | 92.2 Ų | 92.2 | 12% | 0.122 | 51% | 0.511 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 110.7 | 178 | -50.6 | -63.7 | 0 | 0 | 0 | 109 | A8 I12 P74 E78 Y406 N429 F430 F431 | A8-Y10 HydrophobicContact CB-CE1 3.8Å; A8-Y10 VanDerWaalsContact CB-OH 3.27Å; A8-Y10 WeakPolarHBondContact CB-OH 3.27Å; A8-Y10 WeakPolarHBondContact O-CD2 3.29Å; A8-Y10 VanDerWaalsContact O-CE2 3.22Å; A8-Y10 WeakPolarHBondContact O-CE2 3.3Å; A8-Y10 PolarHBondContact O-N 3.36Å; Y10-I12 PolarHBondContact O-N 2.95Å; Y10-P74 HydrophobicContact CE1-CB 4.22Å; Y10-P74 HydrophobicContact CE2-CB 4.26Å; Y10-P74 WeakPolarHBondContact OH-CB 3.36Å; Y10-E78 WeakPolarHBondContact CE2-OE2 3.31Å; Y10-Y406 HydrophobicContact CD1-CE2 4.3Å; Y10-N429 HydrophobicContact CD2-CB 3.94Å; Y10-N429 HydrophobicContact CE2-CB 3.82Å; Y10-N429 PolarHBondContact N-O 2.78Å; Y10-F430 HydrophobicContact CD2-CD1 4.02Å; Y10-F430 AromaticContact CD2-CE1 3.89Å; Y10-F430 HydrophobicContact CD2-CE1 3.89Å; Y10-F430 HydrophobicContact CD2-CZ 4.39Å; Y10-F430 HydrophobicContact CG-CD1 4.39Å; Y10-F430 HydrophobicContact CG-CE1 4.35Å; Y10-F431 PolarHBondContact O-N 2.75Å |
| 11 | S | 80.7 | Confident | 63.4 | Low | 77 Ų | 77 | 89.6 Ų | 89.6 | 54% | 0.538 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 117.1 | 168 | -171.9 | 0 | 0 | 0 | 0 | 108.7 | F431 | S11-F431 WeakPolarHBondContact CA-O 3.48Å |
| 12 | I | 81.9 | Confident | 66.3 | Low | 2 Ų | 2 | 80.4 Ų | 80.4 | 1% | 0.01 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 123.7 | 172.8 | -60.5 | 176.1 | 0 | 0 | 0 | 108.2 | Y10 L14 L45 I408 F430 F431 F432 V433 | Y10-I12 PolarHBondContact O-N 2.95Å; I12-L14 PolarHBondContact O-N 3.26Å; I12-L45 HydrophobicContact CD1-CD1 3.49Å; I12-L45 VanDerWaalsContact CD1-CD1 3.49Å; I12-L45 HydrophobicContact CG1-CD1 3.96Å; I12-I408 HydrophobicContact CG2-CB 4.15Å; I12-I408 HydrophobicContact CG2-CG2 3.69Å; I12-F430 HydrophobicContact CD1-CB 4Å; I12-F430 HydrophobicContact CD1-CD1 3.14Å; I12-F430 HydrophobicContact CD1-CE1 3.78Å; I12-F430 HydrophobicContact CD1-CG 3.83Å; I12-F430 HydrophobicContact CG1-CD1 3.93Å; I12-F431 PolarHBondContact N-O 3.46Å; I12-F432 HydrophobicContact CB-CD1 3.86Å; I12-F432 HydrophobicContact CB-CE1 3.91Å; I12-F432 HydrophobicContact CD1-CD1 4.21Å; I12-F432 HydrophobicContact CD1-CE1 3.41Å; I12-F432 VanDerWaalsContact CD1-CE1 3.41Å; I12-F432 HydrophobicContact CD1-CE2 4.38Å; I12-F432 HydrophobicContact CD1-CZ 3.49Å; I12-F432 VanDerWaalsContact CD1-CZ 3.49Å; I12-F432 HydrophobicContact CG1-CE1 4.24Å; I12-F432 HydrophobicContact CG2-CD1 3.9Å; I12-F432 HydrophobicContact CG2-CE1 3.84Å; I12-V433 PolarHBondContact O-N 3.19Å |
| 13 | G | 83.8 | Confident | 69.3 | Low | 20 Ų | 20 | 73.4 Ų | 73.4 | 21% | 0.206 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 116.2 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y406 M407 I408 | G13-Y406 PolarHBondContact N-O 3.08Å; G13-M407 VanDerWaalsContact O-CA 3.3Å; G13-M407 WeakPolarHBondContact O-CA 3.26Å; G13-I408 PolarHBondContact O-N 2.72Å |
| 14 | L | 85.6 | Confident | 72.4 | Confident | 20 Ų | 20 | 70.8 Ų | 70.8 | 11% | 0.105 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 113.9 | 171.1 | -174.6 | 66.1 | 0 | 0 | 0 | 108.7 | I12 I408 F410 W413 V433 S435 | I12-L14 PolarHBondContact O-N 3.26Å; L14-I408 HydrophobicContact CD1-CG2 3.74Å; L14-F410 HydrophobicContact CD1-CD2 4.48Å; L14-F410 HydrophobicContact CD2-CD2 3.94Å; L14-F410 HydrophobicContact CD2-CE2 4.43Å; L14-F410 HydrophobicContact CG-CD2 4.3Å; L14-W413 HydrophobicContact CD1-CB 3.59Å; L14-W413 HydrophobicContact CD1-CG 3.69Å; L14-V433 PolarHBondContact N-O 3.13Å; L14-S435 WeakPolarHBondContact O-CB 3.5Å; L14-S435 PolarHBondContact O-N 2.82Å; L14-S435 PolarHBondContact O-OG 3.28Å |
| 15 | L | 86.1 | Confident | 75.5 | Confident | 6 Ų | 6 | 62.8 Ų | 62.8 | 3% | 0.031 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 127.7 | -177.5 | -56.2 | -173.6 | 0 | 0 | 0 | 111.3 | A19 V24 M407 I408 F410 S435 I437 | L15-A19 HydrophobicContact CB-CB 4.18Å; L15-V24 HydrophobicContact CD1-CG2 3.91Å; L15-V24 HydrophobicContact CD2-CG2 3.47Å; L15-V24 VanDerWaalsContact CD2-CG2 3.47Å; L15-V24 HydrophobicContact CG-CG2 4.33Å; L15-M407 HydrophobicContact CD1-CB 4.42Å; L15-M407 HydrophobicContact CD1-CE 3.66Å; L15-M407 HydrophobicContact CD1-SD 3.53Å; L15-M407 VanDerWaalsContact CD1-SD 3.53Å; L15-M407 HydrophobicContact CG-CB 4.36Å; L15-M407 HydrophobicContact CG-CE 4.29Å; L15-M407 HydrophobicContact CG-SD 4.43Å; L15-I408 PolarHBondContact N-O 3.38Å; L15-F410 WeakPolarHBondContact O-CB 3.48Å; L15-F410 PolarHBondContact O-N 3.32Å; L15-S435 WeakPolarHBondContact CD2-OG 3.29Å; L15-I437 HydrophobicContact CD2-CD1 3.94Å |
| 16 | D | 80.8 | Confident | 78.1 | Confident | 96 Ų | 96 | 61.3 Ų | 61.3 | 51% | 0.513 | 36% | 0.359 | S | S | . | . | trans | -64.8 | 160.3 | 174.3 | -68 | -27.4 | 0 | 0 | 0 | 112 | G18 A19 | D16-G18 PolarHBondContact O-N 3.03Å; D16-A19 PolarHBondContact O-N 3.29Å; D16-A19 VanDerWaalsContact O-N 3.08Å | ||
| 17 | E | 70.9 | Confident | 80.6 | Confident | 185 Ų | 185 | 55.9 Ų | 55.9 | 86% | 0.864 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | 102.2 | 175 | -71.1 | -171.6 | 167.4 | 0 | 0 | 111.1 | ||
| 18 | G | 73.8 | Confident | 83.2 | Confident | 66 Ų | 66 | 49.2 Ų | 49.2 | 68% | 0.68 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 121.4 | -16.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | D16 | D16-G18 PolarHBondContact O-N 3.03Š|
| 19 | A | 82.1 | Confident | 84.9 | Confident | 24 Ų | 24 | 48 Ų | 48 | 20% | 0.198 | 29% | 0.289 | C | S | . | . | trans | -78.1 | 139.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | L15 D16 I437 | L15-A19 HydrophobicContact CB-CB 4.18Å; D16-A19 PolarHBondContact O-N 3.29Å; D16-A19 VanDerWaalsContact O-N 3.08Å; A19-I437 HydrophobicContact CB-CD1 4.32Å | ||
| 20 | T | 86.9 | Confident | 86.1 | Confident | 69 Ų | 69 | 50.9 Ų | 50.9 | 42% | 0.423 | 29% | 0.293 | S | S | . | . | trans | -118.2 | 166.5 | -175.3 | 69.1 | 0 | 0 | 0 | 0 | 111.7 | A22 D23 V24 | T20-A22 PolarHBondContact O-N 3Å; T20-A22 PolarHBondContact OG1-N 3.19Å; T20-D23 WeakPolarHBondContact CA-OD2 3.09Å; T20-D23 WeakPolarHBondContact CB-OD2 3.5Å; T20-D23 PolarHBondContact N-OD2 2.99Å; T20-D23 PolarHBondContact O-N 3.29Å; T20-D23 VanDerWaalsContact O-N 3.09Å; T20-D23 PolarHBondContact OG1-N 3.05Å; T20-D23 PolarHBondContact OG1-OD2 3.48Å; T20-V24 PolarHBondContact O-N 2.96Å | ||
| 21 | L | 88.6 | Confident | 86.7 | Confident | 39 Ų | 39 | 53.6 Ų | 53.6 | 20% | 0.204 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -54.3 | -37.7 | 171.1 | 176.3 | 61.9 | 0 | 0 | 0 | 111.9 | V24 I25 V42 M407 | L21-V24 PolarHBondContact O-N 3.26Å; L21-I25 HydrophobicContact CD1-CD1 4.2Å; L21-I25 HydrophobicContact CD1-CG1 4.42Å; L21-I25 HydrophobicContact CG-CD1 3.93Å; L21-I25 WeakPolarHBondContact O-CG1 3.41Å; L21-I25 PolarHBondContact O-N 3.11Å; L21-V42 HydrophobicContact CD1-CB 3.94Å; L21-V42 HydrophobicContact CD1-CG1 3.42Å; L21-V42 VanDerWaalsContact CD1-CG1 3.42Å; L21-M407 HydrophobicContact CD1-SD 4.06Å |
| 22 | A | 89.8 | Confident | 87.2 | Confident | 52 Ų | 52 | 50.3 Ų | 50.3 | 43% | 0.43 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.8 | -42.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | T20 V24 I25 D26 | T20-A22 PolarHBondContact O-N 3Å; T20-A22 PolarHBondContact OG1-N 3.19Å; A22-V24 VanDerWaalsContact C-N 3.28Å; A22-V24 PolarHBondContact O-N 2.9Å; A22-I25 PolarHBondContact O-N 3.49Å; A22-D26 WeakPolarHBondContact O-CB 3.49Å; A22-D26 VanDerWaalsContact O-CG 3.27Å; A22-D26 PolarHBondContact O-N 3.48Å |
| 23 | D | 90.6 | Very high | 87.6 | Confident | 41 Ų | 41 | 53 Ų | 53 | 22% | 0.219 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.9 | -36.2 | 178 | -56.6 | -60.3 | 0 | 0 | 0 | 112 | T20 N27 | T20-D23 WeakPolarHBondContact CA-OD2 3.09Å; T20-D23 WeakPolarHBondContact CB-OD2 3.5Å; T20-D23 PolarHBondContact N-OD2 2.99Å; T20-D23 PolarHBondContact O-N 3.29Å; T20-D23 VanDerWaalsContact O-N 3.09Å; T20-D23 PolarHBondContact OG1-N 3.05Å; T20-D23 PolarHBondContact OG1-OD2 3.48Å; D23-N27 WeakPolarHBondContact O-CB 3.39Å; D23-N27 PolarHBondContact O-N 3.37Å |
| 24 | V | 91.5 | Very high | 87.8 | Confident | 19 Ų | 19 | 58.2 Ų | 58.2 | 12% | 0.115 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -66.4 | -46.1 | 174.5 | -178.8 | 0 | 0 | 0 | 0 | 110.9 | L15 T20 L21 A22 D26 N27 C28 V42 I437 | L15-V24 HydrophobicContact CD1-CG2 3.91Å; L15-V24 HydrophobicContact CD2-CG2 3.47Å; L15-V24 VanDerWaalsContact CD2-CG2 3.47Å; L15-V24 HydrophobicContact CG-CG2 4.33Å; T20-V24 PolarHBondContact O-N 2.96Å; L21-V24 PolarHBondContact O-N 3.26Å; A22-V24 VanDerWaalsContact C-N 3.28Å; A22-V24 PolarHBondContact O-N 2.9Å; V24-D26 VanDerWaalsContact C-N 3.34Å; V24-D26 PolarHBondContact O-N 3.31Å; V24-N27 PolarHBondContact O-N 2.86Å; V24-C28 WeakPolarHBondContact O-CB 3.39Å; V24-C28 PolarHBondContact O-N 2.99Å; V24-C28 PolarHBondContact O-SG 2.91Å; V24-C28 VanDerWaalsContact O-SG 3.35Å; V24-V42 HydrophobicContact CB-CG1 4.45Å; V24-V42 HydrophobicContact CG1-CG1 3.84Å; V24-V42 HydrophobicContact CG1-CG2 4.29Å; V24-I437 HydrophobicContact CG2-CD1 4.01Å |
| 25 | I | 93.6 | Very high | 87.7 | Confident | 13 Ų | 13 | 62.5 Ų | 62.5 | 7% | 0.067 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -60.6 | -45.5 | 177.8 | -70 | 168 | 0 | 0 | 0 | 110.3 | L21 A22 N27 C28 I29 V42 T282 I381 | L21-I25 HydrophobicContact CD1-CD1 4.2Å; L21-I25 HydrophobicContact CD1-CG1 4.42Å; L21-I25 HydrophobicContact CG-CD1 3.93Å; L21-I25 WeakPolarHBondContact O-CG1 3.41Å; L21-I25 PolarHBondContact O-N 3.11Å; A22-I25 PolarHBondContact O-N 3.49Å; I25-N27 PolarHBondContact O-N 3.48Å; I25-C28 PolarHBondContact O-N 2.79Å; I25-I29 HydrophobicContact CG2-CD1 3.88Å; I25-I29 WeakPolarHBondContact O-CB 3.35Å; I25-I29 PolarHBondContact O-N 3.49Å; I25-V42 HydrophobicContact CG1-CB 4.27Å; I25-V42 HydrophobicContact CG1-CG2 3.75Å; I25-T282 HydrophobicContact CD1-CG2 3.68Å; I25-I381 HydrophobicContact CD1-CG2 4.49Å; I25-I381 HydrophobicContact CG2-CD1 3.71Å |
| 26 | D | 93.3 | Very high | 87.6 | Confident | 76 Ų | 76 | 64.8 Ų | 64.8 | 41% | 0.406 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -60 | -45.7 | 178.3 | -73 | 4.2 | 0 | 0 | 0 | 111 | A22 V24 I29 Y30 H340 | A22-D26 WeakPolarHBondContact O-CB 3.49Å; A22-D26 VanDerWaalsContact O-CG 3.27Å; A22-D26 PolarHBondContact O-N 3.48Å; V24-D26 VanDerWaalsContact C-N 3.34Å; V24-D26 PolarHBondContact O-N 3.31Å; D26-I29 PolarHBondContact O-N 2.86Å; D26-Y30 PolarHBondContact O-N 2.9Å; D26-H340 IonicContact OD1-CD2 3.45Å; D26-H340 PolarHBondContact OD1-CD2 3.13Å; D26-H340 IonicContact OD1-NE2 3.43Å; D26-H340 PolarHBondContact OD1-NE2 3.18Å |
| 27 | N | 91.3 | Very high | 88 | Confident | 62 Ų | 62 | 63.4 Ų | 63.4 | 33% | 0.332 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63.6 | -45.2 | 176.6 | -175 | 70.1 | 0 | 0 | 0 | 112 | D23 V24 I25 I29 Y30 E31 | D23-N27 WeakPolarHBondContact O-CB 3.39Å; D23-N27 PolarHBondContact O-N 3.37Å; V24-N27 PolarHBondContact O-N 2.86Å; I25-N27 PolarHBondContact O-N 3.48Å; N27-I29 VanDerWaalsContact C-N 3.34Å; N27-I29 PolarHBondContact O-N 3.01Å; N27-Y30 WeakPolarHBondContact O-CB 3.46Å; N27-Y30 PolarHBondContact O-N 2.91Å; N27-E31 PolarHBondContact ND2-OE1 3.08Å; N27-E31 PolarHBondContact O-N 3.14Å |
| 28 | C | 92.7 | Very high | 89 | Confident | 5 Ų | 5 | 59.1 Ų | 59.1 | 3% | 0.034 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.8 | -41.8 | 175.8 | -71.8 | 0 | 0 | 0 | 0 | 111.4 | V24 I25 Y30 E31 H32 F40 | V24-C28 WeakPolarHBondContact O-CB 3.39Å; V24-C28 PolarHBondContact O-N 2.99Å; V24-C28 PolarHBondContact O-SG 2.91Å; V24-C28 VanDerWaalsContact O-SG 3.35Å; I25-C28 PolarHBondContact O-N 2.79Å; C28-Y30 VanDerWaalsContact C-N 3.31Å; C28-Y30 PolarHBondContact O-N 3.12Å; C28-E31 PolarHBondContact O-N 3.46Å; C28-H32 WeakPolarHBondContact O-CB 3.48Å; C28-H32 PolarHBondContact O-CD2 3.01Å; C28-H32 PolarHBondContact O-N 3.35Å; C28-F40 HydrophobicContact CB-CD2 4.03Å; C28-F40 HydrophobicContact CB-CE1 4.01Å; C28-F40 HydrophobicContact CB-CE2 3.31Å; C28-F40 HydrophobicContact CB-CZ 3.3Å |
| 29 | I | 93.7 | Very high | 90 | Very high | 10 Ų | 10 | 56.4 Ų | 56.4 | 5% | 0.051 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.6 | -42 | 174.8 | -83.4 | 169.3 | 0 | 0 | 0 | 111.2 | I25 D26 N27 H32 T33 F40 H340 W379 I381 | I25-I29 HydrophobicContact CG2-CD1 3.88Å; I25-I29 WeakPolarHBondContact O-CB 3.35Å; I25-I29 PolarHBondContact O-N 3.49Å; D26-I29 PolarHBondContact O-N 2.86Å; N27-I29 VanDerWaalsContact C-N 3.34Å; N27-I29 PolarHBondContact O-N 3.01Å; I29-H32 PolarHBondContact O-N 3.4Å; I29-T33 VanDerWaalsContact O-CB 3.24Å; I29-T33 WeakPolarHBondContact O-CB 3.45Å; I29-T33 PolarHBondContact O-N 2.8Å; I29-T33 PolarHBondContact O-OG1 3.3Å; I29-F40 HydrophobicContact CG1-CE1 3.93Å; I29-F40 HydrophobicContact CG1-CZ 3.83Å; I29-H340 HydrophobicContact CD1-CB 4.21Å; I29-H340 WeakPolarHBondContact CD1-CD2 3.12Å; I29-W379 HydrophobicContact CD1-CB 3.81Å; I29-W379 HydrophobicContact CD1-CD2 4.13Å; I29-W379 HydrophobicContact CD1-CE3 4.44Å; I29-W379 HydrophobicContact CD1-CG 3.86Å; I29-W379 HydrophobicContact CG1-CB 4.43Å; I29-W379 HydrophobicContact CG1-CD2 3.78Å; I29-W379 HydrophobicContact CG1-CE3 4.1Å; I29-W379 HydrophobicContact CG1-CG 3.93Å; I29-W379 HydrophobicContact CG2-CD2 4.48Å; I29-W379 HydrophobicContact CG2-CG 4.15Å; I29-I381 HydrophobicContact CD1-CD1 3.89Å |
| 30 | Y | 92.8 | Very high | 90.6 | Very high | 155 Ų | 155 | 55.3 Ų | 55.3 | 61% | 0.608 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -59.1 | -50.7 | 175.7 | 177.6 | -94.4 | 0 | 0 | 0 | 111.3 | D26 N27 C28 T33 H34 | D26-Y30 PolarHBondContact O-N 2.9Å; N27-Y30 WeakPolarHBondContact O-CB 3.46Å; N27-Y30 PolarHBondContact O-N 2.91Å; C28-Y30 VanDerWaalsContact C-N 3.31Å; C28-Y30 PolarHBondContact O-N 3.12Å; Y30-T33 PolarHBondContact O-N 2.61Å; Y30-H34 AromaticContact CE2-CE1 3.7Å; Y30-H34 AromaticContact CZ-CE1 3.86Å; Y30-H34 PolarHBondContact O-ND1 3.44Å |
| 31 | E | 90.8 | Very high | 91.1 | Very high | 89 Ų | 89 | 52 Ų | 52 | 42% | 0.416 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -62.5 | -45.6 | 178.2 | -70.5 | -178.6 | -173.4 | 0 | 0 | 112.5 | N27 C28 T33 H34 T35 | N27-E31 PolarHBondContact ND2-OE1 3.08Å; N27-E31 PolarHBondContact O-N 3.14Å; C28-E31 PolarHBondContact O-N 3.46Å; E31-T33 VanDerWaalsContact C-N 3.3Å; E31-T33 PolarHBondContact O-N 3.06Å; E31-H34 PolarHBondContact O-N 3.47Å; E31-H34 VanDerWaalsContact O-N 3.13Å; E31-T35 WeakPolarHBondContact O-CG2 3.44Å; E31-T35 PolarHBondContact O-N 3.09Å; E31-T35 PolarHBondContact O-OG1 3.38Å |
| 32 | H | 91.6 | Very high | 91.4 | Very high | 8 Ų | 8 | 50.2 Ų | 50.2 | 4% | 0.037 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.4 | -32.6 | -179.9 | -84.6 | -70.7 | 0 | 0 | 0 | 112.5 | C28 I29 H34 T35 G36 K37 F40 W379 Y405 | C28-H32 WeakPolarHBondContact O-CB 3.48Å; C28-H32 PolarHBondContact O-CD2 3.01Å; C28-H32 PolarHBondContact O-N 3.35Å; I29-H32 PolarHBondContact O-N 3.4Å; H32-H34 PolarHBondContact O-N 2.95Å; H32-T35 WeakPolarHBondContact CA-OG1 3.32Å; H32-T35 PolarHBondContact O-N 2.82Å; H32-G36 PolarHBondContact O-N 3.41Å; H32-G36 VanDerWaalsContact O-N 3.11Å; H32-K37 WeakPolarHBondContact O-CA 3.24Å; H32-K37 PolarHBondContact O-N 3.25Å; H32-F40 AromaticContact CD2-CD1 3.53Å; H32-F40 AromaticContact CD2-CE1 3.86Å; H32-W379 HydrophobicContact CB-CH2 3.82Å; H32-W379 HydrophobicContact CB-CZ2 3.84Å; H32-Y405 AromaticContact NE2-CE2 3.56Å; H32-Y405 AromaticContact NE2-CZ 3.6Å; H32-Y405 PolarHBondContact NE2-OH 3.02Å |
| 33 | T | 90.1 | Very high | 91.6 | Very high | 58 Ų | 58 | 47.7 Ų | 47.7 | 36% | 0.356 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -59.7 | -27.8 | 175.1 | -64.7 | 0 | 0 | 0 | 0 | 112.2 | I29 Y30 E31 W379 | I29-T33 VanDerWaalsContact O-CB 3.24Å; I29-T33 WeakPolarHBondContact O-CB 3.45Å; I29-T33 PolarHBondContact O-N 2.8Å; I29-T33 PolarHBondContact O-OG1 3.3Å; Y30-T33 PolarHBondContact O-N 2.61Å; E31-T33 VanDerWaalsContact C-N 3.3Å; E31-T33 PolarHBondContact O-N 3.06Å; T33-W379 PolarHBondContact OG1-NE1 2.92Å |
| 34 | H | 87.1 | Confident | 91.8 | Very high | 130 Ų | 130 | 46.6 Ų | 46.6 | 60% | 0.602 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -97.3 | -11.1 | 179.5 | -62.4 | 88.4 | 0 | 0 | 0 | 114.4 | Y30 E31 H32 | Y30-H34 AromaticContact CE2-CE1 3.7Å; Y30-H34 AromaticContact CZ-CE1 3.86Å; Y30-H34 PolarHBondContact O-ND1 3.44Å; E31-H34 PolarHBondContact O-N 3.47Å; E31-H34 VanDerWaalsContact O-N 3.13Å; H32-H34 PolarHBondContact O-N 2.95Å |
| 35 | T | 83.3 | Confident | 91.8 | Very high | 109 Ų | 109 | 45.7 Ų | 45.7 | 67% | 0.669 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -121 | -7.9 | -169.9 | 54.1 | 0 | 0 | 0 | 0 | 115.1 | E31 H32 | E31-T35 WeakPolarHBondContact O-CG2 3.44Å; E31-T35 PolarHBondContact O-N 3.09Å; E31-T35 PolarHBondContact O-OG1 3.38Å; H32-T35 WeakPolarHBondContact CA-OG1 3.32Å; H32-T35 PolarHBondContact O-N 2.82Å |
| 36 | G | 84.1 | Confident | 91.8 | Very high | 55 Ų | 55 | 45.1 Ų | 45.1 | 57% | 0.567 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 144.9 | 4.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | H32 R38 | H32-G36 PolarHBondContact O-N 3.41Å; H32-G36 VanDerWaalsContact O-N 3.11Å; G36-R38 VanDerWaalsContact C-N 3.27Å; G36-R38 PolarHBondContact O-N 3.32Å |
| 37 | K | 90.3 | Very high | 91.8 | Very high | 67 Ų | 67 | 44.4 Ų | 44.4 | 29% | 0.291 | 23% | 0.227 | S | C | . | . | trans | 52.2 | 42.1 | 177.1 | -62.6 | -176.2 | 177.7 | -165.8 | 0 | 113.4 | H32 N286 N318 G377 W379 | H32-K37 WeakPolarHBondContact O-CA 3.24Å; H32-K37 PolarHBondContact O-N 3.25Å; K37-N286 HydrophobicContact CB-CB 4.28Å; K37-N318 PolarHBondContact O-ND2 2.85Å; K37-G377 VanDerWaalsContact NZ-CA 3.34Å; K37-G377 PolarHBondContact NZ-O 3.5Å; K37-W379 HydrophobicContact CB-CH2 4.4Å; K37-W379 HydrophobicContact CB-CZ2 4Å; K37-W379 HydrophobicContact CG-CZ2 4.15Å | ||
| 38 | R | 92 | Very high | 92 | Very high | 94 Ų | 94 | 41.5 Ų | 41.5 | 36% | 0.355 | 21% | 0.211 | S | C | . | . | trans | -74.7 | 143.2 | 177.5 | -67.4 | -178.9 | 61.5 | 177.4 | -2.9 | 109.8 | G36 W379 | G36-R38 VanDerWaalsContact C-N 3.27Å; G36-R38 PolarHBondContact O-N 3.32Å; R38-W379 WeakPolarHBondContact O-CH2 3.27Å | ||
| 39 | A | 94.4 | Very high | 92 | Very high | 9 Ų | 9 | 41.4 Ų | 41.4 | 7% | 0.074 | 21% | 0.211 | C | C | . | . | trans | -59.8 | 146.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | A284 V285 N318 D319 P402 L403 | A39-A284 VanDerWaalsContact CA-O 3.26Å; A39-A284 WeakPolarHBondContact CA-O 3.5Å; A39-V285 HydrophobicContact CB-CG1 4.27Å; A39-N318 PolarHBondContact N-ND2 3.04Å; A39-N318 VanDerWaalsContact N-ND2 3.14Å; A39-D319 HydrophobicContact CB-CB 4.34Å; A39-P402 HydrophobicContact CB-CB 4.25Å; A39-P402 HydrophobicContact CB-CG 4.02Å; A39-P402 WeakPolarHBondContact O-CA 3.47Å; A39-P402 WeakPolarHBondContact O-CB 3.25Å; A39-L403 PolarHBondContact O-N 2.98Å | ||
| 40 | F | 94.9 | Very high | 92 | Very high | 1 Ų | 1 | 45.4 Ų | 45.4 | 0% | 0.004 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 154.7 | 179.6 | 68.1 | -92.6 | 0 | 0 | 0 | 112 | C28 I29 H32 V42 A284 W379 L403 Y405 | C28-F40 HydrophobicContact CB-CD2 4.03Å; C28-F40 HydrophobicContact CB-CE1 4.01Å; C28-F40 HydrophobicContact CB-CE2 3.31Å; C28-F40 HydrophobicContact CB-CZ 3.3Å; I29-F40 HydrophobicContact CG1-CE1 3.93Å; I29-F40 HydrophobicContact CG1-CZ 3.83Å; H32-F40 AromaticContact CD2-CD1 3.53Å; H32-F40 AromaticContact CD2-CE1 3.86Å; F40-V42 HydrophobicContact CD2-CG2 4.06Å; F40-V42 HydrophobicContact CE2-CG2 3.77Å; F40-A284 HydrophobicContact CD1-CB 4.13Å; F40-A284 HydrophobicContact CD2-CB 4.33Å; F40-A284 HydrophobicContact CE1-CB 3.65Å; F40-A284 HydrophobicContact CE2-CB 3.88Å; F40-A284 HydrophobicContact CG-CB 4.44Å; F40-A284 HydrophobicContact CZ-CB 3.52Å; F40-A284 PolarHBondContact N-O 3.14Å; F40-A284 VanDerWaalsContact N-O 3.08Å; F40-A284 PolarHBondContact O-N 3.07Å; F40-W379 HydrophobicContact CD1-CH2 4.2Å; F40-W379 HydrophobicContact CD1-CZ3 4.04Å; F40-W379 HydrophobicContact CE1-CE3 4.42Å; F40-W379 AromaticContact CE1-CH2 3.99Å; F40-W379 HydrophobicContact CE1-CH2 3.99Å; F40-W379 AromaticContact CE1-CZ3 3.79Å; F40-W379 HydrophobicContact CE1-CZ3 3.79Å; F40-L403 CarbonylContact C-O 3.46Å; F40-L403 WeakPolarHBondContact CA-O 3.44Å; F40-L403 HydrophobicContact CB-CB 4.37Å; F40-Y405 HydrophobicContact CB-CD2 4.13Å; F40-Y405 HydrophobicContact CB-CE2 3.83Å; F40-Y405 AromaticContact CD2-CD2 3.89Å; F40-Y405 HydrophobicContact CD2-CD2 3.89Å; F40-Y405 HydrophobicContact CD2-CE2 4.12Å; F40-Y405 HydrophobicContact CG-CD2 4.27Å; F40-Y405 HydrophobicContact CG-CE2 4.07Å |
| 41 | Y | 95.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 145.7 | 171.5 | -81.1 | -80.6 | 0 | 0 | 0 | 111.2 | F281 T282 L283 S324 M385 T389 L390 P402 L403 I404 Y405 | Y41-F281 HydrophobicContact CD1-CB 4.03Å; Y41-F281 HydrophobicContact CD1-CD1 4.23Å; Y41-F281 HydrophobicContact CE1-CB 4.37Å; Y41-T282 CarbonylContact C-O 3.57Å; Y41-T282 VanDerWaalsContact CA-O 3.32Å; Y41-T282 WeakPolarHBondContact CA-O 3.39Å; Y41-L283 HydrophobicContact CD1-CB 4.04Å; Y41-L283 HydrophobicContact CD1-CD1 4.36Å; Y41-L283 HydrophobicContact CD2-CD1 4.02Å; Y41-L283 HydrophobicContact CE1-CB 3.63Å; Y41-L283 HydrophobicContact CE1-CD1 4.1Å; Y41-L283 HydrophobicContact CE1-CG 4.32Å; Y41-L283 HydrophobicContact CE2-CD1 3.72Å; Y41-L283 HydrophobicContact CG-CD1 4.33Å; Y41-S324 WeakPolarHBondContact OH-CB 3.42Å; Y41-S324 PolarHBondContact OH-OG 2.98Å; Y41-M385 HydrophobicContact CE1-CB 3.78Å; Y41-M385 VanDerWaalsContact CE1-O 3.23Å; Y41-M385 WeakPolarHBondContact CE1-O 3.49Å; Y41-T389 VanDerWaalsContact OH-CB 3.27Å; Y41-T389 WeakPolarHBondContact OH-CB 3.46Å; Y41-T389 PolarHBondContact OH-OG1 3.49Å; Y41-L390 HydrophobicContact CD2-CD2 3.62Å; Y41-L390 HydrophobicContact CD2-CG 4.44Å; Y41-L390 HydrophobicContact CE2-CD2 3.41Å; Y41-L390 VanDerWaalsContact CE2-CD2 3.41Å; Y41-L390 HydrophobicContact CE2-CG 4.03Å; Y41-L390 HydrophobicContact CG-CD2 4.41Å; Y41-P402 HydrophobicContact CD2-CB 3.82Å; Y41-P402 HydrophobicContact CD2-CG 4.47Å; Y41-P402 HydrophobicContact CE2-CB 4.03Å; Y41-P402 HydrophobicContact CE2-CG 4.18Å; Y41-L403 PolarHBondContact N-O 3.34Å; Y41-I404 HydrophobicContact CD2-CG1 4.48Å; Y41-Y405 PolarHBondContact O-N 3.3Å |
| 42 | V | 95.7 | Very high | 92.4 | Very high | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.006 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 121 | 158.1 | -172.9 | 0 | 0 | 0 | 0 | 108.2 | L21 V24 I25 F40 F281 T282 Y405 M407 | L21-V42 HydrophobicContact CD1-CB 3.94Å; L21-V42 HydrophobicContact CD1-CG1 3.42Å; L21-V42 VanDerWaalsContact CD1-CG1 3.42Å; V24-V42 HydrophobicContact CB-CG1 4.45Å; V24-V42 HydrophobicContact CG1-CG1 3.84Å; V24-V42 HydrophobicContact CG1-CG2 4.29Å; I25-V42 HydrophobicContact CG1-CB 4.27Å; I25-V42 HydrophobicContact CG1-CG2 3.75Å; F40-V42 HydrophobicContact CD2-CG2 4.06Å; F40-V42 HydrophobicContact CE2-CG2 3.77Å; V42-F281 WeakPolarHBondContact O-CA 3.49Å; V42-T282 PolarHBondContact N-O 3.29Å; V42-T282 PolarHBondContact O-N 3.22Å; V42-Y405 CarbonylContact C-O 3.6Å; V42-Y405 WeakPolarHBondContact CA-O 3.49Å; V42-M407 HydrophobicContact CG1-CG 3.9Å |
| 43 | G | 95.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 114.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | L45 A280 Y405 Y406 M407 | G43-L45 PolarHBondContact O-N 3.05Å; G43-A280 CarbonylContact C-O 3.55Å; G43-A280 WeakPolarHBondContact CA-O 3.03Å; G43-Y405 PolarHBondContact N-O 3.26Å; G43-Y406 WeakPolarHBondContact O-CA 3.42Å; G43-M407 PolarHBondContact O-N 3.09Å |
| 44 | D | 94.4 | Very high | 92.7 | Very high | 17 Ų | 17 | 36.3 Ų | 36.3 | 9% | 0.091 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 103.4 | 173.9 | 179.3 | -8.1 | 0 | 0 | 0 | 109.9 | G46 K47 A280 M407 | D44-G46 VanDerWaalsContact C-N 3.33Å; D44-G46 WeakPolarHBondContact OD1-CA 3.47Å; D44-G46 PolarHBondContact OD1-N 2.94Å; D44-K47 HydrophobicContact CB-CD 4.07Å; D44-K47 HydrophobicContact CB-CG 4.32Å; D44-K47 PolarHBondContact O-N 3.32Å; D44-K47 PolarHBondContact OD1-N 2.95Å; D44-K47 WeakPolarHBondContact OD2-CE 3.5Å; D44-K47 WeakPolarHBondContact OD2-CG 3.41Å; D44-A280 PolarHBondContact N-O 3.44Å; D44-M407 HydrophobicContact CB-CE 4Å; D44-M407 HydrophobicContact CB-CG 4.37Å; D44-M407 HydrophobicContact CB-SD 4.04Å; D44-M407 WeakPolarHBondContact OD1-CE 3.28Å |
| 45 | L | 91.8 | Very high | 93.2 | Very high | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -75 | -24.2 | -177.5 | -63.1 | -179.2 | 0 | 0 | 0 | 112.4 | I12 G43 K47 L48 I79 Y406 M407 F430 | I12-L45 HydrophobicContact CD1-CD1 3.49Å; I12-L45 VanDerWaalsContact CD1-CD1 3.49Å; I12-L45 HydrophobicContact CG1-CD1 3.96Å; G43-L45 PolarHBondContact O-N 3.05Å; L45-K47 VanDerWaalsContact C-N 3.27Å; L45-K47 PolarHBondContact O-N 3.16Å; L45-L48 HydrophobicContact CD2-CD1 3.88Å; L45-L48 WeakPolarHBondContact O-CB 3.43Å; L45-L48 PolarHBondContact O-N 3.26Å; L45-L48 VanDerWaalsContact O-N 3.14Å; L45-I79 HydrophobicContact CB-CD1 3.64Å; L45-I79 HydrophobicContact CD1-CD1 3.66Å; L45-I79 HydrophobicContact CD2-CD1 3.96Å; L45-I79 HydrophobicContact CG-CD1 3.93Å; L45-Y406 HydrophobicContact CD1-CD1 3.95Å; L45-Y406 HydrophobicContact CD1-CG 3.98Å; L45-Y406 HydrophobicContact CD2-CD1 3.62Å; L45-Y406 HydrophobicContact CD2-CE1 3.94Å; L45-Y406 HydrophobicContact CD2-CG 4.48Å; L45-Y406 HydrophobicContact CG-CD1 3.87Å; L45-Y406 HydrophobicContact CG-CG 4.35Å; L45-M407 PolarHBondContact N-O 2.92Å; L45-F430 HydrophobicContact CD1-CE1 4.24Å |
| 46 | G | 92.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64.4 | -33.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | D44 L48 V49 K50 | D44-G46 VanDerWaalsContact C-N 3.33Å; D44-G46 WeakPolarHBondContact OD1-CA 3.47Å; D44-G46 PolarHBondContact OD1-N 2.94Å; G46-L48 VanDerWaalsContact C-N 3.29Å; G46-L48 PolarHBondContact O-N 3.4Å; G46-V49 PolarHBondContact O-N 2.79Å; G46-K50 PolarHBondContact O-N 2.76Å |
| 47 | K | 94.1 | Very high | 94.3 | Very high | 62 Ų | 62 | 33.9 Ų | 33.9 | 27% | 0.27 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -60.4 | -34.2 | 172.7 | -79.4 | 176.4 | -178.6 | 173.9 | 0 | 113.4 | D44 L45 V49 K50 K51 S279 A280 | D44-K47 HydrophobicContact CB-CD 4.07Å; D44-K47 HydrophobicContact CB-CG 4.32Å; D44-K47 PolarHBondContact O-N 3.32Å; D44-K47 PolarHBondContact OD1-N 2.95Å; D44-K47 WeakPolarHBondContact OD2-CE 3.5Å; D44-K47 WeakPolarHBondContact OD2-CG 3.41Å; L45-K47 VanDerWaalsContact C-N 3.27Å; L45-K47 PolarHBondContact O-N 3.16Å; K47-V49 VanDerWaalsContact C-N 3.33Å; K47-V49 PolarHBondContact O-N 2.81Å; K47-K50 PolarHBondContact O-N 2.84Å; K47-K51 WeakPolarHBondContact O-CB 3.47Å; K47-K51 VanDerWaalsContact O-CG 3.26Å; K47-K51 WeakPolarHBondContact O-CG 3.43Å; K47-K51 PolarHBondContact O-N 3.06Å; K47-S279 VanDerWaalsContact CD-O 3.29Å; K47-S279 WeakPolarHBondContact CD-O 3.39Å; K47-S279 PolarHBondContact NZ-O 3.37Å; K47-A280 HydrophobicContact CB-CB 4.18Å |
| 48 | L | 94.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -63.3 | -42.8 | 177.4 | -56.4 | 179.8 | 0 | 0 | 0 | 111 | L45 G46 K51 N52 V76 I79 L80 Y276 V277 A280 | L45-L48 HydrophobicContact CD2-CD1 3.88Å; L45-L48 WeakPolarHBondContact O-CB 3.43Å; L45-L48 PolarHBondContact O-N 3.26Å; L45-L48 VanDerWaalsContact O-N 3.14Å; G46-L48 VanDerWaalsContact C-N 3.29Å; G46-L48 PolarHBondContact O-N 3.4Å; L48-K51 PolarHBondContact O-N 2.96Å; L48-N52 PolarHBondContact O-N 3.28Å; L48-V76 HydrophobicContact CD1-CB 4.43Å; L48-V76 HydrophobicContact CD1-CG1 4.32Å; L48-V76 HydrophobicContact CD1-CG2 4.14Å; L48-I79 HydrophobicContact CB-CG2 4.25Å; L48-I79 HydrophobicContact CD1-CG2 4.25Å; L48-L80 HydrophobicContact CB-CD2 4.44Å; L48-Y276 VanDerWaalsContact CD2-O 3.23Å; L48-Y276 WeakPolarHBondContact CD2-O 3.39Å; L48-V277 HydrophobicContact CD2-CG1 3.96Å; L48-A280 HydrophobicContact CD2-CB 3.86Å |
| 49 | V | 93 | Very high | 94.7 | Very high | 4 Ų | 4 | 27.1 Ų | 27.1 | 2% | 0.024 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -65.5 | -47.8 | 178.1 | -179.6 | 0 | 0 | 0 | 0 | 110.5 | G46 K47 K51 N52 M53 I79 L83 M416 | G46-V49 PolarHBondContact O-N 2.79Å; K47-V49 VanDerWaalsContact C-N 3.33Å; K47-V49 PolarHBondContact O-N 2.81Å; V49-K51 VanDerWaalsContact C-N 3.29Å; V49-K51 PolarHBondContact O-N 3.4Å; V49-N52 WeakPolarHBondContact O-CB 3.38Å; V49-N52 PolarHBondContact O-N 3Å; V49-M53 HydrophobicContact CG1-CE 3.85Å; V49-M53 WeakPolarHBondContact O-CG 3.41Å; V49-M53 PolarHBondContact O-N 3.43Å; V49-I79 HydrophobicContact CG2-CG2 4.31Å; V49-L83 HydrophobicContact CG2-CD1 4.35Å; V49-M416 HydrophobicContact CG1-CG 4.16Å; V49-M416 HydrophobicContact CG2-CE 4.07Å; V49-M416 HydrophobicContact CG2-CG 3.88Å; V49-M416 HydrophobicContact CG2-SD 3.72Å |
| 50 | K | 93.8 | Very high | 94.4 | Very high | 93 Ų | 93 | 30.2 Ų | 30.2 | 40% | 0.404 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -56.8 | -42.1 | 174.9 | -75.2 | 171.1 | 170.4 | 152.9 | 0 | 112.3 | G46 K47 N52 M53 Q54 D412 | G46-K50 PolarHBondContact O-N 2.76Å; K47-K50 PolarHBondContact O-N 2.84Å; K50-N52 VanDerWaalsContact C-N 3.33Å; K50-N52 PolarHBondContact O-N 3.15Å; K50-M53 PolarHBondContact O-N 3.47Å; K50-Q54 VanDerWaalsContact O-CB 3.31Å; K50-Q54 WeakPolarHBondContact O-CB 3.38Å; K50-Q54 PolarHBondContact O-N 3.19Å; K50-D412 WeakPolarHBondContact CE-OD1 3.29Å; K50-D412 IonicContact NZ-OD1 3.03Å; K50-D412 PolarHBondContact NZ-OD1 3.35Å; K50-D412 IonicContact NZ-OD2 2.62Å; K50-D412 PolarHBondContact NZ-OD2 3.45Å |
| 51 | K | 95.9 | Very high | 94.1 | Very high | 30 Ų | 30 | 32.9 Ų | 32.9 | 13% | 0.13 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.8 | -39.8 | 174.7 | -73.4 | -69.7 | 163.7 | -152.3 | 0 | 112 | K47 L48 V49 Q54 W55 G240 Y275 Y276 | K47-K51 WeakPolarHBondContact O-CB 3.47Å; K47-K51 VanDerWaalsContact O-CG 3.26Å; K47-K51 WeakPolarHBondContact O-CG 3.43Å; K47-K51 PolarHBondContact O-N 3.06Å; L48-K51 PolarHBondContact O-N 2.96Å; V49-K51 VanDerWaalsContact C-N 3.29Å; V49-K51 PolarHBondContact O-N 3.4Å; K51-Q54 PolarHBondContact O-N 3.21Å; K51-W55 WeakPolarHBondContact O-CB 3.39Å; K51-W55 PolarHBondContact O-N 2.9Å; K51-G240 PolarHBondContact NZ-O 3.32Å; K51-Y275 HydrophobicContact CB-CD1 4.49Å; K51-Y275 HydrophobicContact CB-CE1 3.89Å; K51-Y275 HydrophobicContact CD-CE1 4.14Å; K51-Y275 HydrophobicContact CD-CE2 4.24Å; K51-Y275 WeakPolarHBondContact CD-O 3.37Å; K51-Y275 WeakPolarHBondContact O-CE1 3.37Å; K51-Y275 PolarHBondContact O-OH 3.26Å; K51-Y276 HydrophobicContact CB-CD1 3.74Å; K51-Y276 HydrophobicContact CB-CE1 4.02Å |
| 52 | N | 95.6 | Very high | 94.2 | Very high | 6 Ų | 6 | 33.1 Ų | 33.1 | 3% | 0.032 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -67.1 | -42.6 | 176 | -175.9 | 58.8 | 0 | 0 | 0 | 112 | L48 V49 K50 Q54 W55 Q56 L83 I85 Y276 | L48-N52 PolarHBondContact O-N 3.28Å; V49-N52 WeakPolarHBondContact O-CB 3.38Å; V49-N52 PolarHBondContact O-N 3Å; K50-N52 VanDerWaalsContact C-N 3.33Å; K50-N52 PolarHBondContact O-N 3.15Å; N52-Q54 VanDerWaalsContact C-N 3.32Å; N52-Q54 PolarHBondContact O-N 3.21Å; N52-W55 WeakPolarHBondContact O-CB 3.33Å; N52-W55 PolarHBondContact O-N 3.41Å; N52-Q56 PolarHBondContact ND2-NE2 3.04Å; N52-Q56 WeakPolarHBondContact O-CG 3.41Å; N52-Q56 PolarHBondContact O-N 2.86Å; N52-L83 HydrophobicContact CB-CD1 3.86Å; N52-I85 HydrophobicContact CB-CD1 4.39Å; N52-Y276 HydrophobicContact CB-CE1 3.88Å; N52-Y276 PolarHBondContact OD1-OH 3.3Å |
| 53 | M | 93.7 | Very high | 94.2 | Very high | 60 Ų | 60 | 36.9 Ų | 36.9 | 30% | 0.296 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -59.8 | -44.7 | 175 | -69.3 | 177.7 | 175.8 | 0 | 0 | 111.3 | V49 K50 W55 Q56 N57 | V49-M53 HydrophobicContact CG1-CE 3.85Å; V49-M53 WeakPolarHBondContact O-CG 3.41Å; V49-M53 PolarHBondContact O-N 3.43Å; K50-M53 PolarHBondContact O-N 3.47Å; M53-W55 PolarHBondContact O-N 3.48Å; M53-Q56 PolarHBondContact O-N 3.14Å; M53-N57 PolarHBondContact O-N 3.41Å; M53-N57 PolarHBondContact O-ND2 2.87Å |
| 54 | Q | 95.6 | Very high | 94.4 | Very high | 23 Ų | 23 | 37.5 Ų | 37.5 | 11% | 0.107 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -59.8 | -44.9 | 175 | -172.3 | -170.1 | -5.8 | 0 | 0 | 111.7 | K50 K51 N52 Q56 N57 V58 L245 | K50-Q54 VanDerWaalsContact O-CB 3.31Å; K50-Q54 WeakPolarHBondContact O-CB 3.38Å; K50-Q54 PolarHBondContact O-N 3.19Å; K51-Q54 PolarHBondContact O-N 3.21Å; N52-Q54 VanDerWaalsContact C-N 3.32Å; N52-Q54 PolarHBondContact O-N 3.21Å; Q54-Q56 PolarHBondContact O-N 3.34Å; Q54-N57 PolarHBondContact O-N 3.25Å; Q54-V58 PolarHBondContact O-N 2.99Å; Q54-L245 HydrophobicContact CG-CD2 4.34Å |
| 55 | W | 97.3 | Very high | 94.6 | Very high | 3 Ų | 3 | 37 Ų | 37 | 1% | 0.011 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -58.8 | -47.1 | 174.4 | -177.5 | -83.9 | 0 | 0 | 0 | 111.5 | K51 N52 M53 N57 V58 M59 I62 P64 F238 L245 A270 P272 Y275 | K51-W55 WeakPolarHBondContact O-CB 3.39Å; K51-W55 PolarHBondContact O-N 2.9Å; N52-W55 WeakPolarHBondContact O-CB 3.33Å; N52-W55 PolarHBondContact O-N 3.41Å; M53-W55 PolarHBondContact O-N 3.48Å; W55-N57 VanDerWaalsContact C-N 3.28Å; W55-N57 PolarHBondContact O-N 3.33Å; W55-V58 PolarHBondContact O-N 2.93Å; W55-M59 HydrophobicContact CD2-CB 3.94Å; W55-M59 HydrophobicContact CD2-CG 4.16Å; W55-M59 HydrophobicContact CE3-CB 4.5Å; W55-M59 HydrophobicContact CE3-CG 4.21Å; W55-M59 HydrophobicContact CG-CB 4.26Å; W55-M59 HydrophobicContact CH2-CB 4.48Å; W55-M59 HydrophobicContact CH2-CE 4.32Å; W55-M59 HydrophobicContact CH2-CG 4.21Å; W55-M59 HydrophobicContact CZ2-CB 3.92Å; W55-M59 HydrophobicContact CZ2-CG 4.14Å; W55-M59 HydrophobicContact CZ3-CG 4.24Å; W55-M59 CarbonylContact O-C 3.57Å; W55-M59 VanDerWaalsContact O-CA 3.3Å; W55-M59 WeakPolarHBondContact O-CA 3.39Å; W55-M59 WeakPolarHBondContact O-CB 3.08Å; W55-M59 PolarHBondContact O-N 3.24Å; W55-I62 HydrophobicContact CZ2-CB 4.3Å; W55-I62 HydrophobicContact CZ2-CG2 3.94Å; W55-I62 PolarHBondContact NE1-O 3.43Å; W55-P64 HydrophobicContact CZ2-CB 4.43Å; W55-F238 HydrophobicContact CH2-CD2 4.07Å; W55-F238 HydrophobicContact CH2-CE1 4.3Å; W55-F238 AromaticContact CH2-CE2 3.75Å; W55-F238 HydrophobicContact CH2-CE2 3.75Å; W55-F238 HydrophobicContact CH2-CG 4.49Å; W55-F238 AromaticContact CH2-CZ 3.86Å; W55-F238 HydrophobicContact CH2-CZ 3.86Å; W55-F238 HydrophobicContact CZ3-CD1 4.18Å; W55-F238 AromaticContact CZ3-CD2 3.95Å; W55-F238 HydrophobicContact CZ3-CD2 3.95Å; W55-F238 HydrophobicContact CZ3-CE1 4.29Å; W55-F238 HydrophobicContact CZ3-CE2 4.08Å; W55-F238 HydrophobicContact CZ3-CG 4Å; W55-F238 HydrophobicContact CZ3-CZ 4.24Å; W55-L245 HydrophobicContact CE3-CD1 3.88Å; W55-L245 HydrophobicContact CZ3-CD1 3.75Å; W55-A270 HydrophobicContact CH2-CB 3.59Å; W55-A270 HydrophobicContact CZ2-CB 3.65Å; W55-P272 HydrophobicContact CE3-CB 4.33Å; W55-P272 HydrophobicContact CE3-CG 4.27Å; W55-P272 HydrophobicContact CH2-CB 4.24Å; W55-P272 HydrophobicContact CH2-CG 4Å; W55-P272 HydrophobicContact CZ2-CG 4.39Å; W55-P272 HydrophobicContact CZ3-CB 3.83Å; W55-P272 HydrophobicContact CZ3-CG 3.93Å; W55-Y275 HydrophobicContact CB-CE1 4.11Å; W55-Y275 HydrophobicContact CE3-CD1 4.24Å; W55-Y275 AromaticContact CE3-CE1 3.91Å; W55-Y275 HydrophobicContact CE3-CE1 3.91Å; W55-Y275 PolarHBondContact N-OH 3.2Å |
| 56 | Q | 95.1 | Very high | 94.9 | Very high | 104 Ų | 104 | 36.9 Ų | 36.9 | 49% | 0.486 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -62.1 | -36.1 | 178.5 | -72.1 | 178.1 | -11.7 | 0 | 0 | 112.3 | N52 M53 Q54 A60 | N52-Q56 PolarHBondContact ND2-NE2 3.04Å; N52-Q56 WeakPolarHBondContact O-CG 3.41Å; N52-Q56 PolarHBondContact O-N 2.86Å; M53-Q56 PolarHBondContact O-N 3.14Å; Q54-Q56 PolarHBondContact O-N 3.34Å; Q56-A60 VanDerWaalsContact O-CA 3.27Å; Q56-A60 WeakPolarHBondContact O-CA 3.22Å; Q56-A60 WeakPolarHBondContact O-CB 3.48Å; Q56-A60 PolarHBondContact O-N 3.26Å |
| 57 | N | 95.3 | Very high | 95.1 | Very high | 136 Ų | 136 | 37.4 Ų | 37.4 | 73% | 0.727 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -69.9 | -42.2 | 178.6 | -70.8 | -23.5 | 0 | 0 | 0 | 112.6 | M53 Q54 W55 | M53-N57 PolarHBondContact O-N 3.41Å; M53-N57 PolarHBondContact O-ND2 2.87Å; Q54-N57 PolarHBondContact O-N 3.25Å; W55-N57 VanDerWaalsContact C-N 3.28Å; W55-N57 PolarHBondContact O-N 3.33Å |
| 58 | V | 96.5 | Very high | 95.2 | Very high | 20 Ų | 20 | 34.4 Ų | 34.4 | 12% | 0.121 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -90.8 | -43.4 | -174.3 | -179.2 | 0 | 0 | 0 | 0 | 111.9 | Q54 W55 L245 E246 N249 | Q54-V58 PolarHBondContact O-N 2.99Å; W55-V58 PolarHBondContact O-N 2.93Å; V58-L245 HydrophobicContact CB-CD2 3.78Å; V58-L245 HydrophobicContact CB-CG 4.21Å; V58-L245 HydrophobicContact CG1-CD2 4.05Å; V58-L245 HydrophobicContact CG1-CG 3.9Å; V58-L245 HydrophobicContact CG2-CD2 4.05Å; V58-E246 HydrophobicContact CG1-CG 4.4Å; V58-E246 HydrophobicContact CG2-CG 4.37Å; V58-N249 HydrophobicContact CG1-CB 3.7Å; V58-N249 PolarHBondContact O-ND2 3.34Å; V58-N249 PolarHBondContact O-OD1 3.45Å |
| 59 | M | 94 | Very high | 95.1 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -111.5 | 26.9 | -170.5 | -61.5 | -65.2 | -131.9 | 0 | 0 | 112.9 | W55 P61 I62 F238 L245 V248 N249 I252 | W55-M59 HydrophobicContact CD2-CB 3.94Å; W55-M59 HydrophobicContact CD2-CG 4.16Å; W55-M59 HydrophobicContact CE3-CB 4.5Å; W55-M59 HydrophobicContact CE3-CG 4.21Å; W55-M59 HydrophobicContact CG-CB 4.26Å; W55-M59 HydrophobicContact CH2-CB 4.48Å; W55-M59 HydrophobicContact CH2-CE 4.32Å; W55-M59 HydrophobicContact CH2-CG 4.21Å; W55-M59 HydrophobicContact CZ2-CB 3.92Å; W55-M59 HydrophobicContact CZ2-CG 4.14Å; W55-M59 HydrophobicContact CZ3-CG 4.24Å; W55-M59 CarbonylContact O-C 3.57Å; W55-M59 VanDerWaalsContact O-CA 3.3Å; W55-M59 WeakPolarHBondContact O-CA 3.39Å; W55-M59 WeakPolarHBondContact O-CB 3.08Å; W55-M59 PolarHBondContact O-N 3.24Å; M59-P61 VanDerWaalsContact C-N 3.34Å; M59-P61 VanDerWaalsContact O-CD 3.3Å; M59-P61 WeakPolarHBondContact O-CD 3.18Å; M59-I62 HydrophobicContact CB-CB 4.39Å; M59-I62 HydrophobicContact CE-CD1 4.43Å; M59-I62 WeakPolarHBondContact O-CA 3.46Å; M59-I62 WeakPolarHBondContact O-CB 3.45Å; M59-I62 PolarHBondContact O-N 3.47Å; M59-I62 HydrophobicContact SD-CD1 3.99Å; M59-F238 HydrophobicContact CE-CD1 4.33Å; M59-F238 HydrophobicContact CE-CE1 3.41Å; M59-F238 VanDerWaalsContact CE-CE1 3.41Å; M59-F238 HydrophobicContact CE-CZ 3.87Å; M59-L245 HydrophobicContact CE-CD1 3.87Å; M59-L245 HydrophobicContact CG-CD1 3.85Å; M59-L245 HydrophobicContact CG-CD2 4.47Å; M59-L245 HydrophobicContact CG-CG 4.2Å; M59-V248 HydrophobicContact CE-CG1 4.34Å; M59-N249 HydrophobicContact CE-CB 4.47Å; M59-N249 HydrophobicContact SD-CB 3.74Å; M59-I252 HydrophobicContact CE-CD1 3.73Å; M59-I252 HydrophobicContact SD-CD1 4.18Å |
| 60 | A | 87.1 | Confident | 95.1 | Very high | 74 Ų | 74 | 42.1 Ų | 42.1 | 61% | 0.612 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -38.1 | -44.5 | -173.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | Q56 I62 | Q56-A60 VanDerWaalsContact O-CA 3.27Å; Q56-A60 WeakPolarHBondContact O-CA 3.22Å; Q56-A60 WeakPolarHBondContact O-CB 3.48Å; Q56-A60 PolarHBondContact O-N 3.26Å; A60-I62 VanDerWaalsContact C-N 3.26Å; A60-I62 PolarHBondContact O-N 2.84Å |
| 61 | P | 89.8 | Confident | 95.1 | Very high | 56 Ų | 56 | 37.8 Ų | 37.8 | 36% | 0.364 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -5 | -179.1 | 32.6 | -35.1 | 0 | 0 | 0 | 114.3 | M59 | M59-P61 VanDerWaalsContact C-N 3.34Å; M59-P61 VanDerWaalsContact O-CD 3.3Å; M59-P61 WeakPolarHBondContact O-CD 3.18Å |
| 62 | I | 96.6 | Very high | 94.9 | Very high | 6 Ų | 6 | 38 Ų | 38 | 3% | 0.031 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 115.4 | -173.2 | -52.4 | 179.1 | 0 | 0 | 0 | 109.1 | W55 M59 A60 I234 I252 L256 V268 A270 | W55-I62 HydrophobicContact CZ2-CB 4.3Å; W55-I62 HydrophobicContact CZ2-CG2 3.94Å; W55-I62 PolarHBondContact NE1-O 3.43Å; M59-I62 HydrophobicContact CB-CB 4.39Å; M59-I62 HydrophobicContact CE-CD1 4.43Å; M59-I62 WeakPolarHBondContact O-CA 3.46Å; M59-I62 WeakPolarHBondContact O-CB 3.45Å; M59-I62 PolarHBondContact O-N 3.47Å; M59-I62 HydrophobicContact SD-CD1 3.99Å; A60-I62 VanDerWaalsContact C-N 3.26Å; A60-I62 PolarHBondContact O-N 2.84Å; I62-I234 HydrophobicContact CD1-CD1 3.91Å; I62-I234 HydrophobicContact CG2-CD1 4.34Å; I62-I252 HydrophobicContact CD1-CD1 3.74Å; I62-L256 HydrophobicContact CD1-CD1 3.93Å; I62-L256 HydrophobicContact CG1-CD1 4.45Å; I62-V268 WeakPolarHBondContact CA-O 3.48Å; I62-V268 HydrophobicContact CD1-CG1 4.42Å; I62-V268 HydrophobicContact CG1-CB 4.36Å; I62-V268 HydrophobicContact CG1-CG1 4.08Å; I62-V268 HydrophobicContact CG2-CG1 4.19Å; I62-A270 HydrophobicContact CG2-CB 3.72Å |
| 63 | K | 97.1 | Very high | 94.7 | Very high | 79 Ų | 79 | 37.8 Ų | 37.8 | 34% | 0.343 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 125.6 | 178.6 | -177.8 | 173.3 | 175.8 | 177.3 | 0 | 110.8 | F65 N107 V268 I269 A270 | K63-F65 HydrophobicContact CD-CE2 3.87Å; K63-F65 HydrophobicContact CD-CZ 4.48Å; K63-F65 HydrophobicContact CG-CD2 4.36Å; K63-F65 HydrophobicContact CG-CE2 3.96Å; K63-N107 PolarHBondContact NZ-OD1 3.35Å; K63-V268 PolarHBondContact N-O 2.86Å; K63-I269 HydrophobicContact CB-CG2 4.33Å; K63-I269 CarbonylContact O-C 3.6Å; K63-I269 WeakPolarHBondContact O-CA 3.41Å; K63-I269 WeakPolarHBondContact O-CB 3.14Å; K63-A270 PolarHBondContact O-N 3.4Å |
| 64 | P | 98.3 | Very high | 94.4 | Very high | 13 Ų | 13 | 36.5 Ų | 36.5 | 8% | 0.084 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 140.9 | 176.1 | 31.4 | -33.7 | 0 | 0 | 0 | 111.9 | W55 I85 G86 A270 P272 Y276 | W55-P64 HydrophobicContact CZ2-CB 4.43Å; P64-I85 HydrophobicContact CB-CG2 4.12Å; P64-I85 HydrophobicContact CG-CB 4.46Å; P64-I85 HydrophobicContact CG-CG1 4Å; P64-I85 HydrophobicContact CG-CG2 4.07Å; P64-I85 WeakPolarHBondContact O-CG2 3.45Å; P64-G86 PolarHBondContact O-N 2.66Å; P64-A270 CarbonylContact C-O 3.5Å; P64-P272 HydrophobicContact CB-CG 3.66Å; P64-Y276 HydrophobicContact CB-CE2 4.24Å |
| 65 | F | 98.6 | Very high | 94 | Very high | 6 Ų | 6 | 35.4 Ų | 35.4 | 3% | 0.026 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 102.6 | 169.5 | -82.1 | -109.3 | 0 | 0 | 0 | 109.2 | K63 P67 G86 N107 I109 I269 A270 E271 | K63-F65 HydrophobicContact CD-CE2 3.87Å; K63-F65 HydrophobicContact CD-CZ 4.48Å; K63-F65 HydrophobicContact CG-CD2 4.36Å; K63-F65 HydrophobicContact CG-CE2 3.96Å; F65-P67 VanDerWaalsContact O-CD 3.27Å; F65-P67 WeakPolarHBondContact O-CD 3.43Å; F65-G86 CarbonylContact C-O 3.59Å; F65-G86 VanDerWaalsContact CA-O 3.28Å; F65-G86 WeakPolarHBondContact CA-O 2.93Å; F65-N107 WeakPolarHBondContact CE1-O 3.45Å; F65-I109 HydrophobicContact CD1-CD1 3.54Å; F65-I109 HydrophobicContact CD1-CG1 3.72Å; F65-I109 HydrophobicContact CD2-CD1 4.36Å; F65-I109 HydrophobicContact CE1-CD1 3.63Å; F65-I109 HydrophobicContact CE1-CG1 3.67Å; F65-I109 HydrophobicContact CE2-CD1 4.44Å; F65-I109 HydrophobicContact CG-CD1 3.93Å; F65-I109 HydrophobicContact CZ-CD1 4.1Å; F65-I109 HydrophobicContact CZ-CG1 4.48Å; F65-I269 HydrophobicContact CD2-CB 3.97Å; F65-I269 HydrophobicContact CD2-CD1 4.14Å; F65-I269 HydrophobicContact CD2-CG2 4.13Å; F65-I269 HydrophobicContact CE2-CB 4.13Å; F65-I269 HydrophobicContact CE2-CD1 4.3Å; F65-I269 HydrophobicContact CE2-CG2 3.76Å; F65-A270 PolarHBondContact N-O 3.38Å; F65-E271 VanDerWaalsContact O-CA 3.25Å; F65-E271 WeakPolarHBondContact O-CA 3.39Å |
| 66 | Y | 98.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 122 | -174.5 | 177.8 | -107.1 | 0 | 0 | 0 | 112.5 | V68 C70 N71 V76 L77 L80 G86 F87 A88 Y276 V277 | Y66-V68 PolarHBondContact O-N 2.79Å; Y66-C70 HydrophobicContact CE2-CB 4.33Å; Y66-N71 WeakPolarHBondContact CE1-O 3.35Å; Y66-N71 WeakPolarHBondContact OH-CA 3.47Å; Y66-N71 WeakPolarHBondContact OH-CB 3.23Å; Y66-N71 PolarHBondContact OH-N 3.22Å; Y66-N71 PolarHBondContact OH-O 3.14Å; Y66-V76 HydrophobicContact CE1-CG1 4.41Å; Y66-L77 HydrophobicContact CD1-CD2 3.96Å; Y66-L77 HydrophobicContact CE1-CD2 3.81Å; Y66-L80 HydrophobicContact CD1-CD1 3.69Å; Y66-L80 HydrophobicContact CD2-CD1 3.61Å; Y66-L80 HydrophobicContact CE1-CD1 4.04Å; Y66-L80 HydrophobicContact CE2-CD1 3.96Å; Y66-L80 HydrophobicContact CG-CD1 3.46Å; Y66-L80 VanDerWaalsContact CG-CD1 3.46Å; Y66-G86 PolarHBondContact N-O 3.32Å; Y66-F87 HydrophobicContact CD1-CD1 4.05Å; Y66-F87 HydrophobicContact CD1-CE1 4.06Å; Y66-F87 WeakPolarHBondContact O-CA 3.38Å; Y66-A88 PolarHBondContact O-N 2.94Å; Y66-Y276 HydrophobicContact CD2-CD2 4.1Å; Y66-V277 HydrophobicContact CE2-CG1 3.97Å; Y66-V277 HydrophobicContact CE2-CG2 4.39Å; Y66-V277 WeakPolarHBondContact OH-CG1 3.43Å |
| 67 | P | 97 | Very high | 93.8 | Very high | 10 Ų | 10 | 30.3 Ų | 30.3 | 7% | 0.065 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 108.7 | 170.8 | -20.4 | 34.1 | 0 | 0 | 0 | 111.8 | F65 K69 C70 A88 E271 P272 | F65-P67 VanDerWaalsContact O-CD 3.27Å; F65-P67 WeakPolarHBondContact O-CD 3.43Å; P67-K69 HydrophobicContact CB-CG 4.2Å; P67-K69 PolarHBondContact O-N 2.88Å; P67-K69 VanDerWaalsContact O-N 3.13Å; P67-C70 WeakPolarHBondContact O-CB 3.37Å; P67-C70 PolarHBondContact O-N 3.3Å; P67-A88 WeakPolarHBondContact CA-O 3.32Å; P67-A88 HydrophobicContact CB-CB 4.46Å; P67-A88 HydrophobicContact CG-CB 4.42Å; P67-E271 HydrophobicContact CG-CB 3.99Å; P67-E271 VanDerWaalsContact CG-O 3.24Å; P67-E271 WeakPolarHBondContact CG-O 3.47Å; P67-P272 WeakPolarHBondContact CD-O 3.5Å |
| 68 | V | 96.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.138 | C | C | . | . | G | 310 helix | trans | -59.9 | -31.1 | -175.2 | -177.8 | 0 | 0 | 0 | 0 | 112.1 | Y66 C70 N71 S72 L77 F87 A88 E94 V98 | Y66-V68 PolarHBondContact O-N 2.79Å; V68-C70 PolarHBondContact O-N 3.42Å; V68-C70 VanDerWaalsContact O-N 3.11Å; V68-N71 CarbonylContact O-C 3.6Å; V68-N71 VanDerWaalsContact O-C 3.28Å; V68-N71 PolarHBondContact O-N 3.47Å; V68-S72 PolarHBondContact O-N 2.98Å; V68-L77 HydrophobicContact CG1-CD1 4.19Å; V68-L77 HydrophobicContact CG1-CD2 4.19Å; V68-L77 HydrophobicContact CG2-CD2 4.4Å; V68-F87 HydrophobicContact CG2-CB 4.1Å; V68-F87 HydrophobicContact CG2-CD1 3.83Å; V68-F87 HydrophobicContact CG2-CG 4.39Å; V68-A88 PolarHBondContact N-O 2.6Å; V68-E94 HydrophobicContact CB-CB 4.09Å; V68-E94 HydrophobicContact CB-CG 3.96Å; V68-E94 HydrophobicContact CG1-CB 3.93Å; V68-E94 HydrophobicContact CG1-CG 3.66Å; V68-V98 HydrophobicContact CG2-CG2 3.65Å |
| 69 | K | 92.4 | Very high | 93.5 | Very high | 148 Ų | 148 | 23.2 Ų | 23.2 | 64% | 0.643 | 13% | 0.133 | S | C | * | . | G | 310 helix | trans | -57 | -23.4 | 176.1 | 67.7 | 171.4 | -175.7 | 170.4 | 0 | 114.5 | P67 | P67-K69 HydrophobicContact CB-CG 4.2Å; P67-K69 PolarHBondContact O-N 2.88Å; P67-K69 VanDerWaalsContact O-N 3.13Å |
| 70 | C | 92.1 | Very high | 93.6 | Very high | 18 Ų | 18 | 23.2 Ų | 23.2 | 12% | 0.122 | 13% | 0.133 | C | C | . | . | G | 310 helix | trans | -70.7 | -44.1 | -178.9 | -72.7 | 0 | 0 | 0 | 0 | 111 | Y66 P67 V68 V277 S387 G388 | Y66-C70 HydrophobicContact CE2-CB 4.33Å; P67-C70 WeakPolarHBondContact O-CB 3.37Å; P67-C70 PolarHBondContact O-N 3.3Å; V68-C70 PolarHBondContact O-N 3.42Å; V68-C70 VanDerWaalsContact O-N 3.11Å; C70-V277 HydrophobicContact CB-CG2 4.32Å; C70-S387 CarbonylContact O-C 3.51Å; C70-S387 WeakPolarHBondContact O-CA 3.33Å; C70-G388 PolarHBondContact O-N 2.87Å |
| 71 | N | 93.7 | Very high | 93.9 | Very high | 2 Ų | 2 | 20.1 Ų | 20.1 | 1% | 0.011 | 11% | 0.108 | C | C | . | . | trans | -160.9 | 106.3 | 174.4 | -171.2 | -32.7 | 0 | 0 | 0 | 108.6 | Y66 V68 T73 V277 F281 G386 L390 | Y66-N71 WeakPolarHBondContact CE1-O 3.35Å; Y66-N71 WeakPolarHBondContact OH-CA 3.47Å; Y66-N71 WeakPolarHBondContact OH-CB 3.23Å; Y66-N71 PolarHBondContact OH-N 3.22Å; Y66-N71 PolarHBondContact OH-O 3.14Å; V68-N71 CarbonylContact O-C 3.6Å; V68-N71 VanDerWaalsContact O-C 3.28Å; V68-N71 PolarHBondContact O-N 3.47Å; N71-T73 VanDerWaalsContact C-N 3.29Å; N71-T73 PolarHBondContact O-N 2.93Å; N71-T73 VanDerWaalsContact OD1-CB 3.3Å; N71-T73 WeakPolarHBondContact OD1-CB 3.43Å; N71-T73 WeakPolarHBondContact OD1-CG2 3.25Å; N71-T73 PolarHBondContact OD1-N 3.1Å; N71-T73 PolarHBondContact OD1-OG1 3.39Å; N71-V277 HydrophobicContact CB-CB 4.24Å; N71-V277 HydrophobicContact CB-CG1 4.14Å; N71-V277 HydrophobicContact CB-CG2 4.02Å; N71-F281 WeakPolarHBondContact ND2-CE2 3.44Å; N71-G386 WeakPolarHBondContact CB-O 3.24Å; N71-G386 PolarHBondContact ND2-O 3.47Å; N71-L390 VanDerWaalsContact ND2-CD1 3.31Å; N71-L390 WeakPolarHBondContact ND2-CD1 3.19Å | ||
| 72 | S | 93.3 | Very high | 94.1 | Very high | 34 Ų | 34 | 18.3 Ų | 18.3 | 24% | 0.238 | 10% | 0.096 | C | C | . | . | trans | -92.4 | 15.9 | -178.2 | 59.3 | 0 | 0 | 0 | 0 | 112.9 | V68 L97 | V68-S72 PolarHBondContact O-N 2.98Å; S72-L97 WeakPolarHBondContact O-CD2 3.32Å | ||
| 73 | T | 90.7 | Very high | 93.9 | Very high | 2 Ų | 2 | 19.2 Ų | 19.2 | 1% | 0.012 | 10% | 0.101 | C | C | . | . | trans | -65.7 | 130.5 | 178.4 | 59.1 | 0 | 0 | 0 | 0 | 110.1 | N71 G75 V76 L77 L390 I404 Y406 | N71-T73 VanDerWaalsContact C-N 3.29Å; N71-T73 PolarHBondContact O-N 2.93Å; N71-T73 VanDerWaalsContact OD1-CB 3.3Å; N71-T73 WeakPolarHBondContact OD1-CB 3.43Å; N71-T73 WeakPolarHBondContact OD1-CG2 3.25Å; N71-T73 PolarHBondContact OD1-N 3.1Å; N71-T73 PolarHBondContact OD1-OG1 3.39Å; T73-G75 VanDerWaalsContact C-N 3.3Å; T73-G75 PolarHBondContact O-N 3.4Å; T73-V76 WeakPolarHBondContact O-CB 3.06Å; T73-V76 PolarHBondContact O-N 3.19Å; T73-V76 VanDerWaalsContact OG1-CG2 3.27Å; T73-V76 WeakPolarHBondContact OG1-CG2 3.37Å; T73-L77 PolarHBondContact O-N 2.84Å; T73-L390 HydrophobicContact CG2-CB 4.34Å; T73-L390 HydrophobicContact CG2-CD1 3.99Å; T73-I404 HydrophobicContact CG2-CD1 3.57Å; T73-Y406 WeakPolarHBondContact CB-OH 3.45Å; T73-Y406 PolarHBondContact OG1-OH 3.27Å | ||
| 74 | P | 86.9 | Confident | 93.7 | Very high | 32 Ų | 32 | 17.6 Ų | 17.6 | 21% | 0.208 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -54.2 | -40.3 | -174.2 | -32.7 | 37.7 | 0 | 0 | 0 | 114.7 | Y10 V76 L77 E78 | Y10-P74 HydrophobicContact CE1-CB 4.22Å; Y10-P74 HydrophobicContact CE2-CB 4.26Å; Y10-P74 WeakPolarHBondContact OH-CB 3.36Å; P74-V76 VanDerWaalsContact C-N 3.26Å; P74-V76 PolarHBondContact O-N 2.94Å; P74-L77 PolarHBondContact O-N 3.28Å; P74-E78 WeakPolarHBondContact O-CG 3.47Å; P74-E78 PolarHBondContact O-N 2.96Å |
| 75 | G | 88.3 | Confident | 93.6 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -60.5 | -33.2 | 179 | 0 | 0 | 0 | 0 | 0 | 113.7 | T73 I79 | T73-G75 VanDerWaalsContact C-N 3.3Å; T73-G75 PolarHBondContact O-N 3.4Å; G75-I79 PolarHBondContact O-N 3.19Å |
| 76 | V | 93.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -69.1 | -48.6 | 172.1 | 171.2 | 0 | 0 | 0 | 0 | 110.1 | L48 Y66 T73 P74 E78 I79 L80 V277 F281 | L48-V76 HydrophobicContact CD1-CB 4.43Å; L48-V76 HydrophobicContact CD1-CG1 4.32Å; L48-V76 HydrophobicContact CD1-CG2 4.14Å; Y66-V76 HydrophobicContact CE1-CG1 4.41Å; T73-V76 WeakPolarHBondContact O-CB 3.06Å; T73-V76 PolarHBondContact O-N 3.19Å; T73-V76 VanDerWaalsContact OG1-CG2 3.27Å; T73-V76 WeakPolarHBondContact OG1-CG2 3.37Å; P74-V76 VanDerWaalsContact C-N 3.26Å; P74-V76 PolarHBondContact O-N 2.94Å; V76-E78 PolarHBondContact O-N 2.97Å; V76-I79 PolarHBondContact O-N 2.81Å; V76-L80 HydrophobicContact CG1-CD1 3.66Å; V76-L80 HydrophobicContact CG1-CG 4.19Å; V76-L80 WeakPolarHBondContact O-CB 3.38Å; V76-L80 VanDerWaalsContact O-CG 3.27Å; V76-L80 WeakPolarHBondContact O-CG 3.41Å; V76-L80 PolarHBondContact O-N 3.08Å; V76-V277 HydrophobicContact CG1-CG1 3.69Å; V76-V277 HydrophobicContact CG2-CG1 4.48Å; V76-F281 HydrophobicContact CG2-CE2 3.82Å; V76-F281 HydrophobicContact CG2-CZ 3.61Å |
| 77 | L | 94.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -65.1 | -38.3 | -176.3 | -57.8 | -178.3 | 0 | 0 | 0 | 112.2 | Y66 V68 T73 P74 G81 F87 L97 L101 | Y66-L77 HydrophobicContact CD1-CD2 3.96Å; Y66-L77 HydrophobicContact CE1-CD2 3.81Å; V68-L77 HydrophobicContact CG1-CD1 4.19Å; V68-L77 HydrophobicContact CG1-CD2 4.19Å; V68-L77 HydrophobicContact CG2-CD2 4.4Å; T73-L77 PolarHBondContact O-N 2.84Å; P74-L77 PolarHBondContact O-N 3.28Å; L77-G81 PolarHBondContact O-N 2.92Å; L77-F87 HydrophobicContact CB-CE1 4.22Å; L77-F87 HydrophobicContact CB-CZ 4.48Å; L77-F87 HydrophobicContact CD2-CD1 4.08Å; L77-F87 HydrophobicContact CD2-CE1 3.6Å; L77-F87 HydrophobicContact CG-CE1 4.48Å; L77-F87 WeakPolarHBondContact O-CZ 3.47Å; L77-L97 HydrophobicContact CD1-CD2 3.36Å; L77-L97 HydrophobicContact CD1-CG 3.71Å; L77-L101 HydrophobicContact CB-CD1 3.42Å; L77-L101 VanDerWaalsContact CB-CD1 3.42Å; L77-L101 HydrophobicContact CD1-CD1 4.21Å; L77-L101 HydrophobicContact CG-CD1 4.48Å |
| 78 | E | 92.3 | Very high | 93.7 | Very high | 5 Ų | 5 | 16.5 Ų | 16.5 | 2% | 0.023 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -64.7 | -45.1 | 176.4 | -74 | -179.9 | -175.8 | 0 | 0 | 111.9 | Y10 P74 V76 G81 T82 L101 N429 F430 | Y10-E78 WeakPolarHBondContact CE2-OE2 3.31Å; P74-E78 WeakPolarHBondContact O-CG 3.47Å; P74-E78 PolarHBondContact O-N 2.96Å; V76-E78 PolarHBondContact O-N 2.97Å; E78-G81 PolarHBondContact O-N 3.4Å; E78-T82 WeakPolarHBondContact O-CB 3.37Å; E78-T82 PolarHBondContact O-N 2.96Å; E78-T82 PolarHBondContact O-OG1 3.13Å; E78-L101 HydrophobicContact CG-CD1 4.32Å; E78-L101 HydrophobicContact CG-CD2 3.66Å; E78-N429 PolarHBondContact OE1-ND2 3.14Å; E78-F430 HydrophobicContact CB-CE2 3.68Å; E78-F430 HydrophobicContact CB-CZ 3.81Å; E78-F430 VanDerWaalsContact OE2-CE2 3.24Å; E78-F430 WeakPolarHBondContact OE2-CE2 3.48Å |
| 79 | I | 92.8 | Very high | 93.7 | Very high | 2 Ų | 2 | 16.5 Ų | 16.5 | 1% | 0.01 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -64.7 | -49.5 | 176.8 | -75.1 | 175.1 | 0 | 0 | 0 | 111.1 | L45 L48 V49 G75 V76 G81 T82 L83 M427 F430 | L45-I79 HydrophobicContact CB-CD1 3.64Å; L45-I79 HydrophobicContact CD1-CD1 3.66Å; L45-I79 HydrophobicContact CD2-CD1 3.96Å; L45-I79 HydrophobicContact CG-CD1 3.93Å; L48-I79 HydrophobicContact CB-CG2 4.25Å; L48-I79 HydrophobicContact CD1-CG2 4.25Å; V49-I79 HydrophobicContact CG2-CG2 4.31Å; G75-I79 PolarHBondContact O-N 3.19Å; V76-I79 PolarHBondContact O-N 2.81Å; I79-G81 VanDerWaalsContact C-N 3.28Å; I79-G81 PolarHBondContact O-N 3.37Å; I79-T82 WeakPolarHBondContact O-CB 3.26Å; I79-T82 PolarHBondContact O-N 2.8Å; I79-T82 VanDerWaalsContact O-N 3.16Å; I79-L83 HydrophobicContact CG2-CD1 3.91Å; I79-L83 HydrophobicContact CG2-CG 4.46Å; I79-L83 VanDerWaalsContact O-CG 3.28Å; I79-L83 WeakPolarHBondContact O-CG 3.32Å; I79-L83 PolarHBondContact O-N 2.85Å; I79-M427 HydrophobicContact CG1-CE 4.42Å; I79-M427 HydrophobicContact CG1-SD 4.17Å; I79-F430 HydrophobicContact CD1-CE1 4.38Å; I79-F430 HydrophobicContact CD1-CZ 4.1Å; I79-F430 HydrophobicContact CG1-CE2 4.11Å; I79-F430 HydrophobicContact CG1-CZ 3.76Å |
| 80 | L | 95.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -62.8 | -38 | 179.9 | -63.1 | 178.9 | 0 | 0 | 0 | 111.4 | L48 Y66 V76 L83 G84 I85 F87 Y276 | L48-L80 HydrophobicContact CB-CD2 4.44Å; Y66-L80 HydrophobicContact CD1-CD1 3.69Å; Y66-L80 HydrophobicContact CD2-CD1 3.61Å; Y66-L80 HydrophobicContact CE1-CD1 4.04Å; Y66-L80 HydrophobicContact CE2-CD1 3.96Å; Y66-L80 HydrophobicContact CG-CD1 3.46Å; Y66-L80 VanDerWaalsContact CG-CD1 3.46Å; V76-L80 HydrophobicContact CG1-CD1 3.66Å; V76-L80 HydrophobicContact CG1-CG 4.19Å; V76-L80 WeakPolarHBondContact O-CB 3.38Å; V76-L80 VanDerWaalsContact O-CG 3.27Å; V76-L80 WeakPolarHBondContact O-CG 3.41Å; V76-L80 PolarHBondContact O-N 3.08Å; L80-L83 HydrophobicContact CD2-CD1 4.41Å; L80-L83 PolarHBondContact O-N 3.22Å; L80-G84 PolarHBondContact O-N 2.66Å; L80-I85 HydrophobicContact CB-CB 4.34Å; L80-I85 HydrophobicContact CB-CD1 4.07Å; L80-I85 HydrophobicContact CD2-CD1 3.54Å; L80-I85 HydrophobicContact CG-CD1 4.35Å; L80-I85 VanDerWaalsContact O-CB 3.27Å; L80-I85 WeakPolarHBondContact O-CB 3.17Å; L80-I85 PolarHBondContact O-N 2.9Å; L80-I85 VanDerWaalsContact O-N 3.11Å; L80-F87 HydrophobicContact CB-CE1 4.45Å; L80-F87 HydrophobicContact CB-CZ 4.28Å; L80-Y276 HydrophobicContact CD2-CD1 3.78Å; L80-Y276 HydrophobicContact CD2-CE1 4.15Å; L80-Y276 HydrophobicContact CD2-CG 4.05Å |
| 81 | G | 94.8 | Very high | 94 | Very high | 9 Ų | 9 | 11.8 Ų | 11.8 | 9% | 0.093 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -62.2 | -43.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L77 E78 I79 L83 G84 | L77-G81 PolarHBondContact O-N 2.92Å; E78-G81 PolarHBondContact O-N 3.4Å; I79-G81 VanDerWaalsContact C-N 3.28Å; I79-G81 PolarHBondContact O-N 3.37Å; G81-L83 VanDerWaalsContact C-N 3.27Å; G81-L83 PolarHBondContact O-N 2.88Å; G81-G84 PolarHBondContact O-N 3.19Å |
| 82 | T | 91.9 | Very high | 94.1 | Very high | 18 Ų | 18 | 16.6 Ų | 16.6 | 11% | 0.11 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -63.2 | -34.6 | 175.3 | -53.5 | 0 | 0 | 0 | 0 | 111.9 | E78 I79 G84 I421 D424 L426 M427 | E78-T82 WeakPolarHBondContact O-CB 3.37Å; E78-T82 PolarHBondContact O-N 2.96Å; E78-T82 PolarHBondContact O-OG1 3.13Å; I79-T82 WeakPolarHBondContact O-CB 3.26Å; I79-T82 PolarHBondContact O-N 2.8Å; I79-T82 VanDerWaalsContact O-N 3.16Å; T82-G84 PolarHBondContact O-N 3.49Å; T82-I421 HydrophobicContact CG2-CB 4.36Å; T82-I421 HydrophobicContact CG2-CG2 3.49Å; T82-I421 VanDerWaalsContact CG2-CG2 3.49Å; T82-I421 WeakPolarHBondContact CG2-O 3.27Å; T82-D424 HydrophobicContact CG2-CB 3.49Å; T82-D424 VanDerWaalsContact CG2-CB 3.49Å; T82-L426 WeakPolarHBondContact OG1-CB 3.38Å; T82-M427 HydrophobicContact CG2-CG 3.93Å; T82-M427 HydrophobicContact CG2-SD 4.35Å |
| 83 | L | 92.6 | Very high | 94.2 | Very high | 25 Ų | 25 | 18.4 Ų | 18.4 | 13% | 0.131 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | 0.5 | 174.1 | -65.5 | 170.2 | 0 | 0 | 0 | 113.5 | V49 N52 I79 L80 G81 I85 I421 | V49-L83 HydrophobicContact CG2-CD1 4.35Å; N52-L83 HydrophobicContact CB-CD1 3.86Å; I79-L83 HydrophobicContact CG2-CD1 3.91Å; I79-L83 HydrophobicContact CG2-CG 4.46Å; I79-L83 VanDerWaalsContact O-CG 3.28Å; I79-L83 WeakPolarHBondContact O-CG 3.32Å; I79-L83 PolarHBondContact O-N 2.85Å; L80-L83 HydrophobicContact CD2-CD1 4.41Å; L80-L83 PolarHBondContact O-N 3.22Å; G81-L83 VanDerWaalsContact C-N 3.27Å; G81-L83 PolarHBondContact O-N 2.88Å; L83-I85 VanDerWaalsContact C-N 3.31Å; L83-I85 HydrophobicContact CB-CD1 4.01Å; L83-I85 HydrophobicContact CB-CG1 4.1Å; L83-I85 HydrophobicContact CD1-CD1 4.33Å; L83-I85 PolarHBondContact O-N 2.83Å; L83-I421 HydrophobicContact CD2-CD1 3.57Å; L83-I421 HydrophobicContact CD2-CG1 4.4Å |
| 84 | G | 93.3 | Very high | 94.5 | Very high | 46 Ų | 46 | 19.2 Ų | 19.2 | 47% | 0.474 | 12% | 0.12 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.3 | 14.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | L80 G81 T82 | L80-G84 PolarHBondContact O-N 2.66Å; G81-G84 PolarHBondContact O-N 3.19Å; T82-G84 PolarHBondContact O-N 3.49Å |
| 85 | I | 96.9 | Very high | 94.9 | Very high | 4 Ų | 4 | 17.7 Ų | 17.7 | 2% | 0.021 | 11% | 0.11 | C | C | . | . | trans | -74.5 | 136.7 | 179.2 | -57.9 | 171.2 | 0 | 0 | 0 | 108.6 | N52 P64 L80 L83 Y276 | N52-I85 HydrophobicContact CB-CD1 4.39Å; P64-I85 HydrophobicContact CB-CG2 4.12Å; P64-I85 HydrophobicContact CG-CB 4.46Å; P64-I85 HydrophobicContact CG-CG1 4Å; P64-I85 HydrophobicContact CG-CG2 4.07Å; P64-I85 WeakPolarHBondContact O-CG2 3.45Å; L80-I85 HydrophobicContact CB-CB 4.34Å; L80-I85 HydrophobicContact CB-CD1 4.07Å; L80-I85 HydrophobicContact CD2-CD1 3.54Å; L80-I85 HydrophobicContact CG-CD1 4.35Å; L80-I85 VanDerWaalsContact O-CB 3.27Å; L80-I85 WeakPolarHBondContact O-CB 3.17Å; L80-I85 PolarHBondContact O-N 2.9Å; L80-I85 VanDerWaalsContact O-N 3.11Å; L83-I85 VanDerWaalsContact C-N 3.31Å; L83-I85 HydrophobicContact CB-CD1 4.01Å; L83-I85 HydrophobicContact CB-CG1 4.1Å; L83-I85 HydrophobicContact CD1-CD1 4.33Å; L83-I85 PolarHBondContact O-N 2.83Å; I85-Y276 HydrophobicContact CD1-CE1 3.84Å; I85-Y276 HydrophobicContact CD1-CE2 4.12Å; I85-Y276 WeakPolarHBondContact CD1-OH 3.3Å | ||
| 86 | G | 98.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 176.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | P64 F65 Y66 N107 | P64-G86 PolarHBondContact O-N 2.66Å; F65-G86 CarbonylContact C-O 3.59Å; F65-G86 VanDerWaalsContact CA-O 3.28Å; F65-G86 WeakPolarHBondContact CA-O 2.93Å; Y66-G86 PolarHBondContact N-O 3.32Å; G86-N107 CarbonylContact C-O 3.59Å; G86-N107 VanDerWaalsContact CA-O 3.3Å; G86-N107 WeakPolarHBondContact CA-O 3.46Å |
| 87 | F | 98.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 129.9 | 178.7 | -66.4 | -86.8 | 0 | 0 | 0 | 112.3 | Y66 V68 L77 L80 V98 I103 N107 I108 I109 | Y66-F87 HydrophobicContact CD1-CD1 4.05Å; Y66-F87 HydrophobicContact CD1-CE1 4.06Å; Y66-F87 WeakPolarHBondContact O-CA 3.38Å; V68-F87 HydrophobicContact CG2-CB 4.1Å; V68-F87 HydrophobicContact CG2-CD1 3.83Å; V68-F87 HydrophobicContact CG2-CG 4.39Å; L77-F87 HydrophobicContact CB-CE1 4.22Å; L77-F87 HydrophobicContact CB-CZ 4.48Å; L77-F87 HydrophobicContact CD2-CD1 4.08Å; L77-F87 HydrophobicContact CD2-CE1 3.6Å; L77-F87 HydrophobicContact CG-CE1 4.48Å; L77-F87 WeakPolarHBondContact O-CZ 3.47Å; L80-F87 HydrophobicContact CB-CE1 4.45Å; L80-F87 HydrophobicContact CB-CZ 4.28Å; F87-V98 HydrophobicContact CB-CG1 3.87Å; F87-V98 HydrophobicContact CB-CG2 3.98Å; F87-V98 HydrophobicContact CD1-CG2 4.01Å; F87-V98 HydrophobicContact CD2-CG1 3.63Å; F87-V98 HydrophobicContact CD2-CG2 4.47Å; F87-V98 HydrophobicContact CE2-CG1 4.33Å; F87-V98 HydrophobicContact CG-CG1 3.77Å; F87-V98 HydrophobicContact CG-CG2 3.88Å; F87-I103 HydrophobicContact CD2-CG1 4.16Å; F87-I103 HydrophobicContact CD2-CG2 3.92Å; F87-I103 HydrophobicContact CE2-CD1 3.92Å; F87-I103 HydrophobicContact CE2-CG1 3.76Å; F87-I103 HydrophobicContact CE2-CG2 4.21Å; F87-N107 PolarHBondContact N-O 3.35Å; F87-I108 WeakPolarHBondContact O-CA 3.38Å; F87-I109 PolarHBondContact O-N 3.29Å |
| 88 | A | 98.2 | Very high | 95.3 | Very high | 2 Ų | 2 | 20.4 Ų | 20.4 | 2% | 0.017 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 109.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | Y66 P67 V68 T111 E271 | Y66-A88 PolarHBondContact O-N 2.94Å; P67-A88 WeakPolarHBondContact CA-O 3.32Å; P67-A88 HydrophobicContact CB-CB 4.46Å; P67-A88 HydrophobicContact CG-CB 4.42Å; V68-A88 PolarHBondContact N-O 2.6Å; A88-T111 HydrophobicContact CB-CG2 3.82Å; A88-E271 HydrophobicContact CB-CG 4.18Å |
| 89 | C | 97.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 144 | 179.7 | -64.5 | 0 | 0 | 0 | 0 | 110.8 | E94 M95 I108 I109 Y110 T111 | C89-E94 WeakPolarHBondContact CA-OE2 3.34Å; C89-E94 HydrophobicContact CB-CB 4.05Å; C89-M95 HydrophobicContact CB-CG 3.53Å; C89-I108 HydrophobicContact CB-CG2 4.35Å; C89-I109 PolarHBondContact N-O 3.08Å; C89-Y110 CarbonylContact O-C 3.42Å; C89-Y110 WeakPolarHBondContact O-CA 3.47Å; C89-Y110 WeakPolarHBondContact O-CD2 3.42Å; C89-T111 PolarHBondContact O-N 2.92Å; C89-T111 PolarHBondContact O-OG1 2.92Å |
| 90 | S | 95.3 | Very high | 95.4 | Very high | 24 Ų | 24 | 28.3 Ų | 28.3 | 17% | 0.168 | 17% | 0.168 | C | C | . | . | trans | -113.2 | -13.7 | -178.5 | 74.4 | 0 | 0 | 0 | 0 | 113.2 | E94 N112 | S90-E94 PolarHBondContact N-OE2 3.26Å; S90-E94 VanDerWaalsContact OG-CD 3.29Å; S90-E94 PolarHBondContact OG-OE1 3.47Å; S90-E94 PolarHBondContact OG-OE2 3.35Å; S90-N112 WeakPolarHBondContact O-CB 3.37Å; S90-N112 PolarHBondContact O-ND2 3.34Å | ||
| 91 | N | 95.3 | Very high | 95.1 | Very high | 42 Ų | 42 | 29.7 Ų | 29.7 | 23% | 0.225 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -151.2 | 174.7 | -179.6 | 63.9 | 65.1 | 0 | 0 | 0 | 111.7 | S93 E94 M95 | N91-S93 WeakPolarHBondContact OD1-CA 3.39Å; N91-S93 WeakPolarHBondContact OD1-CB 3.34Å; N91-S93 PolarHBondContact OD1-N 2.94Å; N91-E94 PolarHBondContact ND2-OE1 2.94Å; N91-E94 PolarHBondContact OD1-N 3.07Å; N91-M95 WeakPolarHBondContact O-CG 3.19Å; N91-M95 PolarHBondContact O-N 3.26Å |
| 92 | K | 96.1 | Very high | 95 | Very high | 104 Ų | 104 | 32.2 Ų | 32.2 | 45% | 0.452 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -63.7 | -38.8 | -179.2 | 175.5 | -178.2 | 172.3 | -162.6 | 0 | 113.2 | M95 A96 Q119 Y122 | K92-M95 PolarHBondContact O-N 2.94Å; K92-A96 WeakPolarHBondContact O-CB 3.4Å; K92-A96 PolarHBondContact O-N 3.24Å; K92-Q119 HydrophobicContact CB-CG 4.13Å; K92-Y122 HydrophobicContact CB-CD1 4.47Å; K92-Y122 HydrophobicContact CD-CD1 4.41Å; K92-Y122 HydrophobicContact CD-CD2 4.2Å; K92-Y122 HydrophobicContact CD-CG 4.09Å; K92-Y122 HydrophobicContact CG-CD1 3.73Å; K92-Y122 HydrophobicContact CG-CD2 4.3Å; K92-Y122 HydrophobicContact CG-CE1 3.91Å; K92-Y122 HydrophobicContact CG-CE2 4.46Å; K92-Y122 HydrophobicContact CG-CG 3.92Å |
| 93 | S | 94.7 | Very high | 95.1 | Very high | 72 Ų | 72 | 32.3 Ų | 32.3 | 50% | 0.503 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -65 | -43.6 | -177.9 | -55.7 | 0 | 0 | 0 | 0 | 110.6 | N91 A96 L97 | N91-S93 WeakPolarHBondContact OD1-CA 3.39Å; N91-S93 WeakPolarHBondContact OD1-CB 3.34Å; N91-S93 PolarHBondContact OD1-N 2.94Å; S93-A96 PolarHBondContact O-N 3.39Å; S93-L97 WeakPolarHBondContact O-CB 3.4Å; S93-L97 PolarHBondContact O-N 3.5Å |
| 94 | E | 96.1 | Very high | 95.2 | Very high | 18 Ų | 18 | 33.2 Ų | 33.2 | 8% | 0.084 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.4 | -45 | 174.9 | -67.7 | 174.4 | -167.5 | 0 | 0 | 112 | V68 C89 S90 N91 A96 L97 V98 | V68-E94 HydrophobicContact CB-CB 4.09Å; V68-E94 HydrophobicContact CB-CG 3.96Å; V68-E94 HydrophobicContact CG1-CB 3.93Å; V68-E94 HydrophobicContact CG1-CG 3.66Å; C89-E94 WeakPolarHBondContact CA-OE2 3.34Å; C89-E94 HydrophobicContact CB-CB 4.05Å; S90-E94 PolarHBondContact N-OE2 3.26Å; S90-E94 VanDerWaalsContact OG-CD 3.29Å; S90-E94 PolarHBondContact OG-OE1 3.47Å; S90-E94 PolarHBondContact OG-OE2 3.35Å; N91-E94 PolarHBondContact ND2-OE1 2.94Å; N91-E94 PolarHBondContact OD1-N 3.07Å; E94-A96 VanDerWaalsContact C-N 3.3Å; E94-A96 PolarHBondContact O-N 3.24Å; E94-L97 PolarHBondContact O-N 3.44Å; E94-V98 WeakPolarHBondContact O-CG2 3.26Å; E94-V98 PolarHBondContact O-N 2.91Å |
| 95 | M | 97 | Very high | 95.3 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.6 | -38.8 | 176.2 | -72.9 | -172.5 | -75.1 | 0 | 0 | 112.4 | C89 N91 K92 Q99 Y110 Y122 A123 I126 I128 | C89-M95 HydrophobicContact CB-CG 3.53Å; N91-M95 WeakPolarHBondContact O-CG 3.19Å; N91-M95 PolarHBondContact O-N 3.26Å; K92-M95 PolarHBondContact O-N 2.94Å; M95-Q99 VanDerWaalsContact O-CB 3.25Å; M95-Q99 WeakPolarHBondContact O-CB 3.49Å; M95-Q99 PolarHBondContact O-N 3.38Å; M95-Q99 VanDerWaalsContact O-N 3.14Å; M95-Y110 HydrophobicContact CE-CD1 4.34Å; M95-Y110 HydrophobicContact CE-CD2 4.19Å; M95-Y110 HydrophobicContact CE-CE1 4.25Å; M95-Y110 HydrophobicContact CE-CE2 4.13Å; M95-Y110 HydrophobicContact CE-CG 4.33Å; M95-Y110 HydrophobicContact SD-CD1 4.37Å; M95-Y110 HydrophobicContact SD-CD2 4.21Å; M95-Y110 HydrophobicContact SD-CG 4.05Å; M95-Y122 HydrophobicContact CB-CE1 4.08Å; M95-Y122 HydrophobicContact CE-CD1 4.11Å; M95-A123 HydrophobicContact CE-CB 4.33Å; M95-A123 HydrophobicContact SD-CB 3.91Å; M95-I126 HydrophobicContact CB-CD1 4.15Å; M95-I128 HydrophobicContact CB-CD1 3.95Å; M95-I128 HydrophobicContact CG-CD1 3.74Å; M95-I128 HydrophobicContact SD-CD1 3.67Å |
| 96 | A | 95.9 | Very high | 95.3 | Very high | 22 Ų | 22 | 38.1 Ų | 38.1 | 18% | 0.182 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -67 | -46.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | K92 S93 E94 V98 Q99 D100 Y122 | K92-A96 WeakPolarHBondContact O-CB 3.4Å; K92-A96 PolarHBondContact O-N 3.24Å; S93-A96 PolarHBondContact O-N 3.39Å; E94-A96 VanDerWaalsContact C-N 3.3Å; E94-A96 PolarHBondContact O-N 3.24Å; A96-V98 PolarHBondContact O-N 2.98Å; A96-Q99 PolarHBondContact O-N 3.38Å; A96-D100 WeakPolarHBondContact O-CB 3.44Å; A96-D100 VanDerWaalsContact O-CG 3.23Å; A96-D100 PolarHBondContact O-N 3.09Å; A96-Y122 WeakPolarHBondContact CB-OH 3.34Å |
| 97 | L | 93.4 | Very high | 95.2 | Very high | 35 Ų | 35 | 40.3 Ų | 40.3 | 18% | 0.183 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -57.4 | -51 | 179.2 | 179.1 | 63 | 0 | 0 | 0 | 111.8 | S72 L77 S93 E94 Q99 D100 L101 | S72-L97 WeakPolarHBondContact O-CD2 3.32Å; L77-L97 HydrophobicContact CD1-CD2 3.36Å; L77-L97 HydrophobicContact CD1-CG 3.71Å; S93-L97 WeakPolarHBondContact O-CB 3.4Å; S93-L97 PolarHBondContact O-N 3.5Å; E94-L97 PolarHBondContact O-N 3.44Å; L97-Q99 VanDerWaalsContact C-N 3.31Å; L97-Q99 PolarHBondContact O-N 3.21Å; L97-D100 PolarHBondContact O-N 3.33Å; L97-L101 WeakPolarHBondContact O-CG 3.29Å; L97-L101 PolarHBondContact O-N 2.87Å |
| 98 | V | 95.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.2 | -37.5 | 179.2 | 172.8 | 0 | 0 | 0 | 0 | 111.6 | V68 F87 E94 A96 L101 I103 I108 | V68-V98 HydrophobicContact CG2-CG2 3.65Å; F87-V98 HydrophobicContact CB-CG1 3.87Å; F87-V98 HydrophobicContact CB-CG2 3.98Å; F87-V98 HydrophobicContact CD1-CG2 4.01Å; F87-V98 HydrophobicContact CD2-CG1 3.63Å; F87-V98 HydrophobicContact CD2-CG2 4.47Å; F87-V98 HydrophobicContact CE2-CG1 4.33Å; F87-V98 HydrophobicContact CG-CG1 3.77Å; F87-V98 HydrophobicContact CG-CG2 3.88Å; E94-V98 WeakPolarHBondContact O-CG2 3.26Å; E94-V98 PolarHBondContact O-N 2.91Å; A96-V98 PolarHBondContact O-N 2.98Å; V98-L101 PolarHBondContact O-N 3.35Å; V98-I103 HydrophobicContact CG1-CB 3.63Å; V98-I103 HydrophobicContact CG1-CG1 3.85Å; V98-I103 HydrophobicContact CG1-CG2 3.85Å; V98-I103 WeakPolarHBondContact O-CB 3.45Å; V98-I103 WeakPolarHBondContact O-CG1 3.47Å; V98-I103 PolarHBondContact O-N 3.45Å; V98-I108 HydrophobicContact CB-CD1 4.34Å; V98-I108 HydrophobicContact CG1-CD1 3.61Å; V98-I108 HydrophobicContact CG1-CG1 3.86Å |
| 99 | Q | 93.4 | Very high | 95.3 | Very high | 61 Ų | 61 | 40.3 Ų | 40.3 | 29% | 0.285 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -67.5 | -39.5 | 175.8 | 174.8 | 167.4 | 63.2 | 0 | 0 | 112.6 | M95 A96 L97 L101 G102 I126 | M95-Q99 VanDerWaalsContact O-CB 3.25Å; M95-Q99 WeakPolarHBondContact O-CB 3.49Å; M95-Q99 PolarHBondContact O-N 3.38Å; M95-Q99 VanDerWaalsContact O-N 3.14Å; A96-Q99 PolarHBondContact O-N 3.38Å; L97-Q99 VanDerWaalsContact C-N 3.31Å; L97-Q99 PolarHBondContact O-N 3.21Å; Q99-L101 PolarHBondContact O-N 2.65Å; Q99-G102 WeakPolarHBondContact O-CA 2.89Å; Q99-G102 PolarHBondContact O-N 2.75Å; Q99-I126 VanDerWaalsContact OE1-CG2 3.26Å |
| 100 | D | 92.4 | Very high | 95.3 | Very high | 112 Ų | 112 | 40.3 Ų | 40.3 | 60% | 0.599 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -65.9 | -26.3 | 180 | -73.2 | -20.7 | 0 | 0 | 0 | 111.7 | L5 A96 L97 G102 | L5-D100 HydrophobicContact CD1-CB 4.47Å; A96-D100 WeakPolarHBondContact O-CB 3.44Å; A96-D100 VanDerWaalsContact O-CG 3.23Å; A96-D100 PolarHBondContact O-N 3.09Å; L97-D100 PolarHBondContact O-N 3.33Å; D100-G102 PolarHBondContact O-N 3.32Å |
| 101 | L | 90.4 | Very high | 95.3 | Very high | 29 Ų | 29 | 40.1 Ų | 40.1 | 15% | 0.152 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -9.5 | 169.1 | -63 | 177.9 | 0 | 0 | 0 | 113.2 | L77 E78 L97 V98 Q99 I103 L426 | L77-L101 HydrophobicContact CB-CD1 3.42Å; L77-L101 VanDerWaalsContact CB-CD1 3.42Å; L77-L101 HydrophobicContact CD1-CD1 4.21Å; L77-L101 HydrophobicContact CG-CD1 4.48Å; E78-L101 HydrophobicContact CG-CD1 4.32Å; E78-L101 HydrophobicContact CG-CD2 3.66Å; L97-L101 WeakPolarHBondContact O-CG 3.29Å; L97-L101 PolarHBondContact O-N 2.87Å; V98-L101 PolarHBondContact O-N 3.35Å; Q99-L101 PolarHBondContact O-N 2.65Å; L101-I103 HydrophobicContact CB-CG1 4.3Å; L101-L426 WeakPolarHBondContact O-CD2 3.5Å |
| 102 | G | 91.5 | Very high | 95.2 | Very high | 63 Ų | 63 | 40 Ų | 40 | 65% | 0.649 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 87.2 | 12.6 | -179 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q99 D100 S104 | Q99-G102 WeakPolarHBondContact O-CA 2.89Å; Q99-G102 PolarHBondContact O-N 2.75Å; D100-G102 PolarHBondContact O-N 3.32Å; G102-S104 PolarHBondContact O-N 3.48Å |
| 103 | I | 94.1 | Very high | 94.8 | Very high | 19 Ų | 19 | 36.6 Ų | 36.6 | 10% | 0.097 | 22% | 0.22 | C | C | . | . | trans | -68.7 | 131.7 | 175.2 | -56.4 | -59.2 | 0 | 0 | 0 | 110.1 | F87 V98 L101 N107 I108 L426 | F87-I103 HydrophobicContact CD2-CG1 4.16Å; F87-I103 HydrophobicContact CD2-CG2 3.92Å; F87-I103 HydrophobicContact CE2-CD1 3.92Å; F87-I103 HydrophobicContact CE2-CG1 3.76Å; F87-I103 HydrophobicContact CE2-CG2 4.21Å; V98-I103 HydrophobicContact CG1-CB 3.63Å; V98-I103 HydrophobicContact CG1-CG1 3.85Å; V98-I103 HydrophobicContact CG1-CG2 3.85Å; V98-I103 WeakPolarHBondContact O-CB 3.45Å; V98-I103 WeakPolarHBondContact O-CG1 3.47Å; V98-I103 PolarHBondContact O-N 3.45Å; L101-I103 HydrophobicContact CB-CG1 4.3Å; I103-N107 HydrophobicContact CG2-CB 4.11Å; I103-I108 HydrophobicContact CG2-CD1 4.44Å; I103-I108 HydrophobicContact CG2-CG1 4.13Å; I103-L426 HydrophobicContact CD1-CD1 4.01Å | ||
| 104 | S | 95.3 | Very high | 94.7 | Very high | 45 Ų | 45 | 37.2 Ų | 37.2 | 32% | 0.315 | 22% | 0.224 | S | C | . | . | trans | -70.3 | 139.9 | -176.9 | -156 | 0 | 0 | 0 | 0 | 112.5 | G102 E106 N107 | G102-S104 PolarHBondContact O-N 3.48Å; S104-E106 VanDerWaalsContact CB-CD 3.42Å; S104-E106 WeakPolarHBondContact CB-OE1 3.27Å; S104-E106 PolarHBondContact O-N 2.73Å; S104-E106 VanDerWaalsContact O-N 3.1Å; S104-E106 PolarHBondContact OG-OE1 2.84Å; S104-E106 PolarHBondContact OG-OE2 2.83Å; S104-N107 PolarHBondContact O-N 2.81Å | ||
| 105 | P | 96.3 | Very high | 94.7 | Very high | 34 Ų | 34 | 36.4 Ų | 36.4 | 22% | 0.221 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -58.3 | -25.2 | -175.7 | -26.7 | 35.2 | 0 | 0 | 0 | 115.8 | N107 I108 G127 I128 | P105-N107 PolarHBondContact O-N 3.44Å; P105-I108 PolarHBondContact O-N 3.19Å; P105-G127 WeakPolarHBondContact CB-O 3.29Å; P105-I128 HydrophobicContact CB-CG1 4.16Å |
| 106 | E | 95.9 | Very high | 94.7 | Very high | 119 Ų | 119 | 42.2 Ų | 42.2 | 56% | 0.556 | 25% | 0.247 | S | C | * | . | G | 310 helix | trans | -68.3 | -19.3 | 174 | 62.1 | -85.9 | -170.8 | 0 | 0 | 114 | S104 I108 | S104-E106 VanDerWaalsContact CB-CD 3.42Å; S104-E106 WeakPolarHBondContact CB-OE1 3.27Å; S104-E106 PolarHBondContact O-N 2.73Å; S104-E106 VanDerWaalsContact O-N 3.1Å; S104-E106 PolarHBondContact OG-OE1 2.84Å; S104-E106 PolarHBondContact OG-OE2 2.83Å; E106-I108 VanDerWaalsContact C-N 3.32Å |
| 107 | N | 97.3 | Very high | 94.7 | Very high | 46 Ų | 46 | 43.2 Ų | 43.2 | 25% | 0.246 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -95.6 | 14.9 | 174.3 | -68.6 | -42 | 0 | 0 | 0 | 111.9 | K63 F65 G86 F87 I103 S104 P105 | K63-N107 PolarHBondContact NZ-OD1 3.35Å; F65-N107 WeakPolarHBondContact CE1-O 3.45Å; G86-N107 CarbonylContact C-O 3.59Å; G86-N107 VanDerWaalsContact CA-O 3.3Å; G86-N107 WeakPolarHBondContact CA-O 3.46Å; F87-N107 PolarHBondContact N-O 3.35Å; I103-N107 HydrophobicContact CG2-CB 4.11Å; S104-N107 PolarHBondContact O-N 2.81Å; P105-N107 PolarHBondContact O-N 3.44Å |
| 108 | I | 98.4 | Very high | 94.9 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 132.3 | 178 | -50.3 | 174.2 | 0 | 0 | 0 | 110.3 | F87 C89 V98 I103 P105 E106 I128 | F87-I108 WeakPolarHBondContact O-CA 3.38Å; C89-I108 HydrophobicContact CB-CG2 4.35Å; V98-I108 HydrophobicContact CB-CD1 4.34Å; V98-I108 HydrophobicContact CG1-CD1 3.61Å; V98-I108 HydrophobicContact CG1-CG1 3.86Å; I103-I108 HydrophobicContact CG2-CD1 4.44Å; I103-I108 HydrophobicContact CG2-CG1 4.13Å; P105-I108 PolarHBondContact O-N 3.19Å; E106-I108 VanDerWaalsContact C-N 3.32Å; I108-I128 HydrophobicContact CB-CD1 4.08Å; I108-I128 HydrophobicContact CB-CG1 4.17Å; I108-I128 HydrophobicContact CB-CG2 4.44Å; I108-I128 HydrophobicContact CD1-CD1 3.98Å; I108-I128 HydrophobicContact CD1-CG1 4.29Å; I108-I128 HydrophobicContact CG2-CD1 3.67Å; I108-I128 HydrophobicContact CG2-CG1 4.27Å; I108-I128 HydrophobicContact CG2-CG2 4.31Å |
| 109 | I | 98.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 131.9 | 174.9 | -56.4 | 174 | 0 | 0 | 0 | 108.7 | F65 F87 C89 T111 I130 L152 I269 | F65-I109 HydrophobicContact CD1-CD1 3.54Å; F65-I109 HydrophobicContact CD1-CG1 3.72Å; F65-I109 HydrophobicContact CD2-CD1 4.36Å; F65-I109 HydrophobicContact CE1-CD1 3.63Å; F65-I109 HydrophobicContact CE1-CG1 3.67Å; F65-I109 HydrophobicContact CE2-CD1 4.44Å; F65-I109 HydrophobicContact CG-CD1 3.93Å; F65-I109 HydrophobicContact CZ-CD1 4.1Å; F65-I109 HydrophobicContact CZ-CG1 4.48Å; F87-I109 PolarHBondContact O-N 3.29Å; C89-I109 PolarHBondContact N-O 3.08Å; I109-T111 HydrophobicContact CB-CG2 4.13Å; I109-T111 HydrophobicContact CG2-CG2 3.63Å; I109-I130 HydrophobicContact CB-CG2 4.5Å; I109-I130 HydrophobicContact CD1-CG2 4.45Å; I109-I130 HydrophobicContact CG1-CB 4.21Å; I109-I130 HydrophobicContact CG1-CG2 3.99Å; I109-I130 HydrophobicContact CG2-CG2 4Å; I109-L152 HydrophobicContact CG2-CD1 4.46Å; I109-I269 HydrophobicContact CD1-CD1 3.15Å |
| 110 | Y | 98.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 102.6 | 176 | -176.9 | -152.1 | 0 | 0 | 0 | 111.3 | C89 M95 N112 K115 Q119 I120 A123 I130 M131 T132 | C89-Y110 CarbonylContact O-C 3.42Å; C89-Y110 WeakPolarHBondContact O-CA 3.47Å; C89-Y110 WeakPolarHBondContact O-CD2 3.42Å; M95-Y110 HydrophobicContact CE-CD1 4.34Å; M95-Y110 HydrophobicContact CE-CD2 4.19Å; M95-Y110 HydrophobicContact CE-CE1 4.25Å; M95-Y110 HydrophobicContact CE-CE2 4.13Å; M95-Y110 HydrophobicContact CE-CG 4.33Å; M95-Y110 HydrophobicContact SD-CD1 4.37Å; M95-Y110 HydrophobicContact SD-CD2 4.21Å; M95-Y110 HydrophobicContact SD-CG 4.05Å; Y110-N112 HydrophobicContact CD2-CB 4.43Å; Y110-N112 HydrophobicContact CE2-CB 3.76Å; Y110-K115 HydrophobicContact CD1-CD 3.42Å; Y110-K115 VanDerWaalsContact CD1-CD 3.42Å; Y110-K115 HydrophobicContact CD1-CG 4.28Å; Y110-K115 HydrophobicContact CE1-CB 3.81Å; Y110-K115 HydrophobicContact CE1-CD 3.13Å; Y110-K115 HydrophobicContact CE1-CG 3.56Å; Y110-K115 HydrophobicContact CE2-CD 4.37Å; Y110-K115 HydrophobicContact CE2-CG 4.32Å; Y110-K115 HydrophobicContact CG-CD 4.15Å; Y110-K115 WeakPolarHBondContact OH-CB 3.3Å; Y110-Q119 HydrophobicContact CE1-CB 4.44Å; Y110-Q119 WeakPolarHBondContact OH-CB 3.22Å; Y110-Q119 PolarHBondContact OH-OE1 3.34Å; Y110-I120 HydrophobicContact CE1-CG1 4.48Å; Y110-A123 HydrophobicContact CD1-CB 4.33Å; Y110-I130 PolarHBondContact N-O 2.82Å; Y110-M131 VanDerWaalsContact O-CA 3.26Å; Y110-M131 WeakPolarHBondContact O-CA 3.36Å; Y110-M131 WeakPolarHBondContact O-CB 3.46Å; Y110-T132 PolarHBondContact O-N 3.02Å; Y110-T132 VanDerWaalsContact O-N 3.08Å |
| 111 | T | 95.9 | Very high | 95.6 | Very high | 21 Ų | 21 | 44.4 Ų | 44.4 | 13% | 0.129 | 26% | 0.262 | C | S | . | . | trans | -102.8 | -7.3 | -159.8 | 60.6 | 0 | 0 | 0 | 0 | 115.2 | A88 C89 I109 T132 E271 | A88-T111 HydrophobicContact CB-CG2 3.82Å; C89-T111 PolarHBondContact O-N 2.92Å; C89-T111 PolarHBondContact O-OG1 2.92Å; I109-T111 HydrophobicContact CB-CG2 4.13Å; I109-T111 HydrophobicContact CG2-CG2 3.63Å; T111-T132 VanDerWaalsContact C-OG1 3.22Å; T111-T132 WeakPolarHBondContact CA-OG1 3.32Å; T111-T132 HydrophobicContact CG2-CG2 4.33Å; T111-T132 PolarHBondContact O-OG1 2.69Å; T111-E271 WeakPolarHBondContact CG2-OE1 3.43Å | ||
| 112 | N | 93.2 | Very high | 96 | Very high | 39 Ų | 39 | 45 Ų | 45 | 21% | 0.209 | 26% | 0.263 | C | S | . | . | trans | -60.1 | 127.3 | -176.2 | -175.3 | -28.6 | 0 | 0 | 0 | 111.9 | S90 Y110 C114 K115 | S90-N112 WeakPolarHBondContact O-CB 3.37Å; S90-N112 PolarHBondContact O-ND2 3.34Å; Y110-N112 HydrophobicContact CD2-CB 4.43Å; Y110-N112 HydrophobicContact CE2-CB 3.76Å; N112-C114 VanDerWaalsContact C-N 3.27Å; N112-C114 PolarHBondContact O-N 2.66Å; N112-C114 PolarHBondContact OD1-N 3.18Å; N112-C114 PolarHBondContact OD1-O 3.36Å; N112-K115 HydrophobicContact CB-CG 4.25Å; N112-K115 VanDerWaalsContact O-CG 3.22Å; N112-K115 WeakPolarHBondContact O-CG 3.04Å; N112-K115 PolarHBondContact O-NZ 3.06Å | ||
| 113 | P | 87.3 | Confident | 96.3 | Very high | 32 Ų | 32 | 42 Ų | 42 | 21% | 0.208 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -63.8 | -29.9 | -179.8 | 24.6 | -33.7 | 0 | 0 | 0 | 113.5 | F170 | P113-F170 HydrophobicContact CB-CD1 3.55Å; P113-F170 HydrophobicContact CB-CE1 3.8Å; P113-F170 HydrophobicContact CB-CG 4.28Å; P113-F170 HydrophobicContact CG-CD1 3.59Å; P113-F170 HydrophobicContact CG-CE1 3.37Å; P113-F170 HydrophobicContact CG-CE2 4.47Å; P113-F170 HydrophobicContact CG-CG 4.25Å; P113-F170 HydrophobicContact CG-CZ 3.86Å |
| 114 | C | 92.4 | Very high | 96.5 | Very high | 85 Ų | 85 | 42.6 Ų | 42.6 | 57% | 0.574 | 24% | 0.24 | S | C | * | . | S | Bend | trans | -122.7 | 80.5 | -172.6 | -66.8 | 0 | 0 | 0 | 0 | 111.2 | N112 | N112-C114 VanDerWaalsContact C-N 3.27Å; N112-C114 PolarHBondContact O-N 2.66Å; N112-C114 PolarHBondContact OD1-N 3.18Å; N112-C114 PolarHBondContact OD1-O 3.36Å |
| 115 | K | 96.2 | Very high | 96.6 | Very high | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.009 | 26% | 0.262 | C | S | . | . | trans | -85.8 | 136.4 | -172.1 | -47.1 | 175.6 | -118.4 | -71 | 0 | 111.3 | Y110 N112 I120 T132 E138 K141 | Y110-K115 HydrophobicContact CD1-CD 3.42Å; Y110-K115 VanDerWaalsContact CD1-CD 3.42Å; Y110-K115 HydrophobicContact CD1-CG 4.28Å; Y110-K115 HydrophobicContact CE1-CB 3.81Å; Y110-K115 HydrophobicContact CE1-CD 3.13Å; Y110-K115 HydrophobicContact CE1-CG 3.56Å; Y110-K115 HydrophobicContact CE2-CD 4.37Å; Y110-K115 HydrophobicContact CE2-CG 4.32Å; Y110-K115 HydrophobicContact CG-CD 4.15Å; Y110-K115 WeakPolarHBondContact OH-CB 3.3Å; N112-K115 HydrophobicContact CB-CG 4.25Å; N112-K115 VanDerWaalsContact O-CG 3.22Å; N112-K115 WeakPolarHBondContact O-CG 3.04Å; N112-K115 PolarHBondContact O-NZ 3.06Å; K115-I120 HydrophobicContact CB-CD1 3.97Å; K115-I120 HydrophobicContact CB-CG1 3.72Å; K115-I120 HydrophobicContact CD-CG1 4.32Å; K115-T132 WeakPolarHBondContact CE-O 3.4Å; K115-T132 PolarHBondContact NZ-O 2.83Å; K115-T132 PolarHBondContact NZ-OG1 3.47Å; K115-E138 WeakPolarHBondContact CA-OE1 3.47Å; K115-E138 WeakPolarHBondContact CB-OE1 3.48Å; K115-E138 WeakPolarHBondContact CG-OE1 3.34Å; K115-E138 PolarHBondContact N-OE1 3.42Å; K115-K141 PolarHBondContact O-NZ 3.25Å | ||
| 116 | Q | 96.9 | Very high | 96.6 | Very high | 121 Ų | 121 | 48.3 Ų | 48.3 | 57% | 0.565 | 26% | 0.256 | S | S | * | . | trans | -76.6 | 141.4 | 170.5 | -63 | -175.6 | 14.7 | 0 | 0 | 109.9 | S118 Q119 I120 | Q116-S118 PolarHBondContact O-N 3.46Å; Q116-S118 VanDerWaalsContact O-N 3.14Å; Q116-Q119 HydrophobicContact CB-CG 4.11Å; Q116-Q119 WeakPolarHBondContact O-CA 3.37Å; Q116-Q119 WeakPolarHBondContact O-CB 3.37Å; Q116-Q119 PolarHBondContact O-N 2.97Å; Q116-I120 PolarHBondContact O-N 3.14Å | ||
| 117 | A | 97.1 | Very high | 96.7 | Very high | 43 Ų | 43 | 44 Ų | 44 | 36% | 0.355 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -58 | -32.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q119 I120 K121 | A117-Q119 VanDerWaalsContact C-N 3.35Å; A117-I120 PolarHBondContact O-N 2.93Å; A117-K121 WeakPolarHBondContact O-CB 3.3Å; A117-K121 VanDerWaalsContact O-CG 3.29Å; A117-K121 WeakPolarHBondContact O-CG 3.44Å; A117-K121 PolarHBondContact O-N 2.81Å |
| 118 | S | 97.6 | Very high | 96.7 | Very high | 74 Ų | 74 | 41.8 Ų | 41.8 | 52% | 0.517 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -62.4 | -38.9 | 173.2 | 54.2 | 0 | 0 | 0 | 0 | 112.7 | Q116 Y122 | Q116-S118 PolarHBondContact O-N 3.46Å; Q116-S118 VanDerWaalsContact O-N 3.14Å; S118-Y122 PolarHBondContact O-N 3.33Å |
| 119 | Q | 98.1 | Very high | 96.7 | Very high | 30 Ų | 30 | 44.4 Ų | 44.4 | 14% | 0.14 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -75 | -37.6 | 178.1 | -60.1 | -175.6 | 13.3 | 0 | 0 | 111.4 | K92 Y110 Q116 A117 Y122 A123 | K92-Q119 HydrophobicContact CB-CG 4.13Å; Y110-Q119 HydrophobicContact CE1-CB 4.44Å; Y110-Q119 WeakPolarHBondContact OH-CB 3.22Å; Y110-Q119 PolarHBondContact OH-OE1 3.34Å; Q116-Q119 HydrophobicContact CB-CG 4.11Å; Q116-Q119 WeakPolarHBondContact O-CA 3.37Å; Q116-Q119 WeakPolarHBondContact O-CB 3.37Å; Q116-Q119 PolarHBondContact O-N 2.97Å; A117-Q119 VanDerWaalsContact C-N 3.35Å; Q119-Y122 WeakPolarHBondContact O-CB 3.29Å; Q119-Y122 PolarHBondContact O-N 3.18Å; Q119-A123 PolarHBondContact O-N 2.83Å |
| 120 | I | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.5 | -46.1 | 172.6 | -59.2 | 169 | 0 | 0 | 0 | 110.6 | Y110 K115 Q116 A117 Y122 A123 A124 K141 I142 H146 | Y110-I120 HydrophobicContact CE1-CG1 4.48Å; K115-I120 HydrophobicContact CB-CD1 3.97Å; K115-I120 HydrophobicContact CB-CG1 3.72Å; K115-I120 HydrophobicContact CD-CG1 4.32Å; Q116-I120 PolarHBondContact O-N 3.14Å; A117-I120 PolarHBondContact O-N 2.93Å; I120-Y122 VanDerWaalsContact C-N 3.25Å; I120-Y122 PolarHBondContact O-N 3.46Å; I120-A123 PolarHBondContact O-N 3Å; I120-A124 PolarHBondContact O-N 3.21Å; I120-K141 HydrophobicContact CD1-CB 3.98Å; I120-I142 HydrophobicContact CD1-CG1 3.94Å; I120-H146 HydrophobicContact CG2-CB 3.74Å |
| 121 | K | 98.3 | Very high | 96.7 | Very high | 129 Ų | 129 | 45.3 Ų | 45.3 | 56% | 0.561 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -61.5 | -35.5 | 175.3 | -73.5 | 177.1 | -177.9 | -177.6 | 0 | 112.2 | A117 K125 | A117-K121 WeakPolarHBondContact O-CB 3.3Å; A117-K121 VanDerWaalsContact O-CG 3.29Å; A117-K121 WeakPolarHBondContact O-CG 3.44Å; A117-K121 PolarHBondContact O-N 2.81Å; K121-K125 WeakPolarHBondContact O-CB 3.25Å; K121-K125 PolarHBondContact O-N 3.08Å |
| 122 | Y | 98.3 | Very high | 96.8 | Very high | 41 Ų | 41 | 44.4 Ų | 44.4 | 16% | 0.161 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.5 | -51.3 | 174.2 | -179.5 | -97.2 | 0 | 0 | 0 | 111.1 | K92 M95 A96 S118 Q119 I120 A124 K125 I126 | K92-Y122 HydrophobicContact CB-CD1 4.47Å; K92-Y122 HydrophobicContact CD-CD1 4.41Å; K92-Y122 HydrophobicContact CD-CD2 4.2Å; K92-Y122 HydrophobicContact CD-CG 4.09Å; K92-Y122 HydrophobicContact CG-CD1 3.73Å; K92-Y122 HydrophobicContact CG-CD2 4.3Å; K92-Y122 HydrophobicContact CG-CE1 3.91Å; K92-Y122 HydrophobicContact CG-CE2 4.46Å; K92-Y122 HydrophobicContact CG-CG 3.92Å; M95-Y122 HydrophobicContact CB-CE1 4.08Å; M95-Y122 HydrophobicContact CE-CD1 4.11Å; A96-Y122 WeakPolarHBondContact CB-OH 3.34Å; S118-Y122 PolarHBondContact O-N 3.33Å; Q119-Y122 WeakPolarHBondContact O-CB 3.29Å; Q119-Y122 PolarHBondContact O-N 3.18Å; I120-Y122 VanDerWaalsContact C-N 3.25Å; I120-Y122 PolarHBondContact O-N 3.46Å; Y122-A124 VanDerWaalsContact C-N 3.26Å; Y122-A124 PolarHBondContact O-N 2.66Å; Y122-K125 WeakPolarHBondContact O-CA 3.35Å; Y122-K125 WeakPolarHBondContact O-CB 3.46Å; Y122-K125 PolarHBondContact O-N 2.89Å; Y122-I126 HydrophobicContact CD1-CD1 4.02Å; Y122-I126 HydrophobicContact CD1-CG1 4.34Å; Y122-I126 HydrophobicContact CE1-CD1 3.44Å; Y122-I126 VanDerWaalsContact CE1-CD1 3.44Å; Y122-I126 HydrophobicContact CE1-CG1 4.13Å; Y122-I126 HydrophobicContact CE1-CG2 4.2Å; Y122-I126 HydrophobicContact CE2-CG2 4.03Å; Y122-I126 WeakPolarHBondContact O-CG1 3.14Å; Y122-I126 PolarHBondContact O-N 2.96Å |
| 123 | A | 98.2 | Very high | 97 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -53.1 | -44.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | M95 Y110 Q119 I120 K125 I126 G127 I128 | M95-A123 HydrophobicContact CE-CB 4.33Å; M95-A123 HydrophobicContact SD-CB 3.91Å; Y110-A123 HydrophobicContact CD1-CB 4.33Å; Q119-A123 PolarHBondContact O-N 2.83Å; I120-A123 PolarHBondContact O-N 3Å; A123-K125 PolarHBondContact O-N 3.02Å; A123-I126 WeakPolarHBondContact O-CG1 3.41Å; A123-I126 PolarHBondContact O-N 3.19Å; A123-G127 PolarHBondContact O-N 2.83Å; A123-I128 HydrophobicContact CB-CB 4.24Å; A123-I128 PolarHBondContact O-N 3.14Å |
| 124 | A | 98.1 | Very high | 97.4 | Very high | 32 Ų | 32 | 42.1 Ų | 42.1 | 26% | 0.264 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -59.5 | -45.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113 | I120 Y122 I126 G127 H146 | I120-A124 PolarHBondContact O-N 3.21Å; Y122-A124 VanDerWaalsContact C-N 3.26Å; Y122-A124 PolarHBondContact O-N 2.66Å; A124-I126 VanDerWaalsContact C-N 3.28Å; A124-I126 PolarHBondContact O-N 3.18Å; A124-G127 PolarHBondContact O-N 3.04Å; A124-H146 WeakPolarHBondContact CA-NE2 3.33Å; A124-H146 HydrophobicContact CB-CB 3.82Å; A124-H146 VanDerWaalsContact CB-CG 3.44Å |
| 125 | K | 97.7 | Very high | 97.5 | Very high | 179 Ų | 179 | 40.2 Ų | 40.2 | 78% | 0.778 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -61 | -37.5 | 179.6 | -178.5 | -174.1 | 175.8 | -171.4 | 0 | 112.1 | K121 Y122 A123 | K121-K125 WeakPolarHBondContact O-CB 3.25Å; K121-K125 PolarHBondContact O-N 3.08Å; Y122-K125 WeakPolarHBondContact O-CA 3.35Å; Y122-K125 WeakPolarHBondContact O-CB 3.46Å; Y122-K125 PolarHBondContact O-N 2.89Å; A123-K125 PolarHBondContact O-N 3.02Å |
| 126 | I | 96.8 | Very high | 97.5 | Very high | 21 Ų | 21 | 42.6 Ų | 42.6 | 11% | 0.108 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -94.4 | 2.7 | -176.8 | 67.5 | 162.2 | 0 | 0 | 0 | 113.5 | M95 Q99 Y122 A123 A124 I128 | M95-I126 HydrophobicContact CB-CD1 4.15Å; Q99-I126 VanDerWaalsContact OE1-CG2 3.26Å; Y122-I126 HydrophobicContact CD1-CD1 4.02Å; Y122-I126 HydrophobicContact CD1-CG1 4.34Å; Y122-I126 HydrophobicContact CE1-CD1 3.44Å; Y122-I126 VanDerWaalsContact CE1-CD1 3.44Å; Y122-I126 HydrophobicContact CE1-CG1 4.13Å; Y122-I126 HydrophobicContact CE1-CG2 4.2Å; Y122-I126 HydrophobicContact CE2-CG2 4.03Å; Y122-I126 WeakPolarHBondContact O-CG1 3.14Å; Y122-I126 PolarHBondContact O-N 2.96Å; A123-I126 WeakPolarHBondContact O-CG1 3.41Å; A123-I126 PolarHBondContact O-N 3.19Å; A124-I126 VanDerWaalsContact C-N 3.28Å; A124-I126 PolarHBondContact O-N 3.18Å; I126-I128 HydrophobicContact CD1-CD1 3.37Å; I126-I128 HydrophobicContact CD1-CG1 3.93Å; I126-I128 HydrophobicContact CG1-CD1 3.97Å; I126-I128 HydrophobicContact CG1-CG1 4.01Å |
| 127 | G | 97.3 | Very high | 97.4 | Very high | 28 Ų | 28 | 40.6 Ų | 40.6 | 29% | 0.289 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83.1 | 10.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | P105 A123 A124 N129 | P105-G127 WeakPolarHBondContact CB-O 3.29Å; A123-G127 PolarHBondContact O-N 2.83Å; A124-G127 PolarHBondContact O-N 3.04Å; G127-N129 PolarHBondContact O-N 3.26Å; G127-N129 PolarHBondContact O-ND2 3.42Å; G127-N129 VanDerWaalsContact O-ND2 3.16Å |
| 128 | I | 98.1 | Very high | 97.4 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.208 | C | C | . | . | trans | -76.1 | 111 | 173.7 | -63.2 | 173.4 | 0 | 0 | 0 | 108.1 | M95 P105 I108 A123 I126 H146 | M95-I128 HydrophobicContact CB-CD1 3.95Å; M95-I128 HydrophobicContact CG-CD1 3.74Å; M95-I128 HydrophobicContact SD-CD1 3.67Å; P105-I128 HydrophobicContact CB-CG1 4.16Å; I108-I128 HydrophobicContact CB-CD1 4.08Å; I108-I128 HydrophobicContact CB-CG1 4.17Å; I108-I128 HydrophobicContact CB-CG2 4.44Å; I108-I128 HydrophobicContact CD1-CD1 3.98Å; I108-I128 HydrophobicContact CD1-CG1 4.29Å; I108-I128 HydrophobicContact CG2-CD1 3.67Å; I108-I128 HydrophobicContact CG2-CG1 4.27Å; I108-I128 HydrophobicContact CG2-CG2 4.31Å; A123-I128 HydrophobicContact CB-CB 4.24Å; A123-I128 PolarHBondContact O-N 3.14Å; I126-I128 HydrophobicContact CD1-CD1 3.37Å; I126-I128 HydrophobicContact CD1-CG1 3.93Å; I126-I128 HydrophobicContact CG1-CD1 3.97Å; I126-I128 HydrophobicContact CG1-CG1 4.01Å; I128-H146 PolarHBondContact O-CD2 3.11Å; I128-H146 PolarHBondContact O-NE2 2.74Å | ||
| 129 | N | 98.3 | Very high | 97.3 | Very high | 55 Ų | 55 | 35.3 Ų | 35.3 | 29% | 0.294 | 18% | 0.184 | S | C | . | . | trans | -102.8 | -30.6 | -173.1 | -61.3 | -47 | 0 | 0 | 0 | 113.1 | G127 H146 A149 K150 | G127-N129 PolarHBondContact O-N 3.26Å; G127-N129 PolarHBondContact O-ND2 3.42Å; G127-N129 VanDerWaalsContact O-ND2 3.16Å; N129-H146 PolarHBondContact OD1-CE1 3.18Å; N129-H146 PolarHBondContact OD1-NE2 2.79Å; N129-A149 CarbonylContact O-C 3.59Å; N129-A149 WeakPolarHBondContact O-CA 3.42Å; N129-K150 PolarHBondContact O-N 3.1Å | ||
| 130 | I | 98.4 | Very high | 97.3 | Very high | 20 Ų | 20 | 37.5 Ų | 37.5 | 10% | 0.103 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 124.1 | -175.6 | -50 | 174.7 | 0 | 0 | 0 | 109.1 | I109 Y110 K150 L152 M231 | I109-I130 HydrophobicContact CB-CG2 4.5Å; I109-I130 HydrophobicContact CD1-CG2 4.45Å; I109-I130 HydrophobicContact CG1-CB 4.21Å; I109-I130 HydrophobicContact CG1-CG2 3.99Å; I109-I130 HydrophobicContact CG2-CG2 4Å; Y110-I130 PolarHBondContact N-O 2.82Å; I130-K150 WeakPolarHBondContact CA-O 3.2Å; I130-L152 HydrophobicContact CG2-CD1 4.09Å; I130-L152 HydrophobicContact CG2-CG 4.12Å; I130-M231 HydrophobicContact CD1-CE 4.02Å; I130-M231 HydrophobicContact CD1-SD 4.31Å; I130-M231 HydrophobicContact CG2-SD 4.13Å |
| 131 | M | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 156.6 | 177.5 | 64.3 | -175.7 | 72 | 0 | 0 | 112.5 | Y110 I142 H146 A149 K150 L151 L152 | Y110-M131 VanDerWaalsContact O-CA 3.26Å; Y110-M131 WeakPolarHBondContact O-CA 3.36Å; Y110-M131 WeakPolarHBondContact O-CB 3.46Å; M131-I142 HydrophobicContact CG-CD1 4.29Å; M131-I142 HydrophobicContact SD-CB 4.37Å; M131-I142 HydrophobicContact SD-CD1 3.66Å; M131-I142 HydrophobicContact SD-CG1 3.73Å; M131-I142 HydrophobicContact SD-CG2 3.7Å; M131-H146 HydrophobicContact CE-CB 4.45Å; M131-H146 WeakPolarHBondContact CE-CD2 3.46Å; M131-A149 HydrophobicContact CE-CB 3.74Å; M131-A149 HydrophobicContact CG-CB 4.39Å; M131-A149 HydrophobicContact SD-CB 3.99Å; M131-K150 PolarHBondContact N-O 2.94Å; M131-L151 HydrophobicContact CG-CD2 3.42Å; M131-L151 VanDerWaalsContact CG-CD2 3.42Å; M131-L151 CarbonylContact O-C 3.56Å; M131-L151 WeakPolarHBondContact O-CA 3.47Å; M131-L151 HydrophobicContact SD-CD2 4.13Å; M131-L152 PolarHBondContact O-N 2.72Å |
| 132 | T | 97.9 | Very high | 97.2 | Very high | 2 Ų | 2 | 34.3 Ų | 34.3 | 1% | 0.012 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 156.8 | 179.3 | 58.7 | 0 | 0 | 0 | 0 | 112 | Y110 T111 K115 L152 K195 | Y110-T132 PolarHBondContact O-N 3.02Å; Y110-T132 VanDerWaalsContact O-N 3.08Å; T111-T132 VanDerWaalsContact C-OG1 3.22Å; T111-T132 WeakPolarHBondContact CA-OG1 3.32Å; T111-T132 HydrophobicContact CG2-CG2 4.33Å; T111-T132 PolarHBondContact O-OG1 2.69Å; K115-T132 WeakPolarHBondContact CE-O 3.4Å; K115-T132 PolarHBondContact NZ-O 2.83Å; K115-T132 PolarHBondContact NZ-OG1 3.47Å; T132-L152 CarbonylContact C-O 3.52Å; T132-L152 VanDerWaalsContact CA-O 3.32Å; T132-L152 WeakPolarHBondContact CA-O 3.44Å; T132-K195 HydrophobicContact CG2-CD 3.43Å; T132-K195 VanDerWaalsContact CG2-CD 3.43Å |
| 133 | C | 97.2 | Very high | 97.1 | Very high | 3 Ų | 3 | 33.3 Ų | 33.3 | 2% | 0.02 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 135.4 | 172.3 | -175.2 | 0 | 0 | 0 | 0 | 110.4 | N135 I142 L151 L152 L153 H154 | C133-N135 PolarHBondContact SG-O 3.05Å; C133-I142 HydrophobicContact CB-CD1 4.33Å; C133-L151 HydrophobicContact CB-CD1 4.15Å; C133-L151 HydrophobicContact CB-CD2 4.47Å; C133-L152 PolarHBondContact N-O 3.2Å; C133-L153 WeakPolarHBondContact O-CA 3.46Å; C133-H154 PolarHBondContact O-N 3.13Å |
| 134 | D | 96 | Very high | 97.1 | Very high | 20 Ų | 20 | 43.3 Ų | 43.3 | 11% | 0.107 | 22% | 0.217 | C | C | . | . | trans | -128.3 | -2.6 | 177.3 | 58.9 | 7.7 | 0 | 0 | 0 | 114.3 | H154 G171 T172 | D134-H154 HydrophobicContact CB-CB 4.18Å; D134-G171 PolarHBondContact OD2-N 3.27Å; D134-T172 HydrophobicContact CB-CG2 4.46Å; D134-T172 VanDerWaalsContact O-CB 3.32Å; D134-T172 WeakPolarHBondContact O-CB 3.44Å | ||
| 135 | N | 95.1 | Very high | 97.1 | Very high | 45 Ų | 45 | 42.8 Ų | 42.8 | 24% | 0.241 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -145.8 | 160.3 | -177.3 | 69 | 81.7 | 0 | 0 | 0 | 113.5 | C133 T137 E138 L139 L180 | C133-N135 PolarHBondContact SG-O 3.05Å; N135-T137 VanDerWaalsContact C-N 3.3Å; N135-T137 PolarHBondContact O-N 2.83Å; N135-T137 WeakPolarHBondContact OD1-CB 3.48Å; N135-T137 PolarHBondContact OD1-N 2.91Å; N135-E138 PolarHBondContact O-N 3.45Å; N135-E138 WeakPolarHBondContact OD1-CB 3.22Å; N135-E138 PolarHBondContact OD1-N 3.45Å; N135-L139 PolarHBondContact O-N 3.41Å; N135-L139 VanDerWaalsContact O-N 3.09Å; N135-L180 VanDerWaalsContact C-CD2 3.49Å |
| 136 | D | 94.8 | Very high | 97.1 | Very high | 52 Ų | 52 | 34.5 Ų | 34.5 | 28% | 0.278 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -66.7 | -33.7 | -174.5 | 76.3 | -66 | 0 | 0 | 0 | 112.1 | L139 K140 L180 | D136-L139 PolarHBondContact O-N 3.37Å; D136-K140 WeakPolarHBondContact O-CB 3.39Å; D136-K140 WeakPolarHBondContact O-CD 3.43Å; D136-K140 VanDerWaalsContact O-CG 3.26Å; D136-K140 WeakPolarHBondContact O-CG 3.47Å; D136-K140 PolarHBondContact O-N 3.11Å; D136-K140 IonicContact OD2-NZ 2.72Å; D136-K140 PolarHBondContact OD2-NZ 3.05Å; D136-L180 HydrophobicContact CB-CD2 4.3Å |
| 137 | T | 95.7 | Very high | 97 | Very high | 78 Ų | 78 | 37.6 Ų | 37.6 | 48% | 0.479 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -69.2 | -40.8 | -179.1 | -64.3 | 0 | 0 | 0 | 0 | 110.4 | N135 K140 K141 | N135-T137 VanDerWaalsContact C-N 3.3Å; N135-T137 PolarHBondContact O-N 2.83Å; N135-T137 WeakPolarHBondContact OD1-CB 3.48Å; N135-T137 PolarHBondContact OD1-N 2.91Å; T137-K140 PolarHBondContact O-N 3.23Å; T137-K141 WeakPolarHBondContact O-CG 3.46Å; T137-K141 PolarHBondContact O-N 2.75Å |
| 138 | E | 96.4 | Very high | 97 | Very high | 4 Ų | 4 | 42.1 Ų | 42.1 | 2% | 0.019 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63 | -48 | 173.6 | -157.1 | 64 | -145.7 | 0 | 0 | 111.1 | K115 N135 K140 K141 I142 | K115-E138 WeakPolarHBondContact CA-OE1 3.47Å; K115-E138 WeakPolarHBondContact CB-OE1 3.48Å; K115-E138 WeakPolarHBondContact CG-OE1 3.34Å; K115-E138 PolarHBondContact N-OE1 3.42Å; N135-E138 PolarHBondContact O-N 3.45Å; N135-E138 WeakPolarHBondContact OD1-CB 3.22Å; N135-E138 PolarHBondContact OD1-N 3.45Å; E138-K140 VanDerWaalsContact C-N 3.33Å; E138-K140 PolarHBondContact O-N 2.87Å; E138-K141 WeakPolarHBondContact O-CB 2.95Å; E138-K141 PolarHBondContact O-N 3Å; E138-K141 VanDerWaalsContact O-N 3.08Å; E138-K141 IonicContact OE1-NZ 2.89Å; E138-K141 PolarHBondContact OE1-NZ 3.16Å; E138-K141 WeakPolarHBondContact OE2-CE 3.46Å; E138-K141 IonicContact OE2-NZ 2.61Å; E138-K141 PolarHBondContact OE2-NZ 2.99Å; E138-I142 HydrophobicContact CG-CD1 4.09Å; E138-I142 WeakPolarHBondContact O-CG1 3.37Å; E138-I142 PolarHBondContact O-N 3.2Å |
| 139 | L | 96.8 | Very high | 96.9 | Very high | 2 Ų | 2 | 42.1 Ų | 42.1 | 1% | 0.01 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -56.2 | -45.6 | 176.5 | 179.2 | 61.5 | 0 | 0 | 0 | 112 | N135 D136 K141 I142 A143 L151 L180 C183 A184 F187 I189 | N135-L139 PolarHBondContact O-N 3.41Å; N135-L139 VanDerWaalsContact O-N 3.09Å; D136-L139 PolarHBondContact O-N 3.37Å; L139-K141 PolarHBondContact O-N 3.25Å; L139-I142 PolarHBondContact O-N 2.77Å; L139-A143 WeakPolarHBondContact O-CB 3.27Å; L139-A143 PolarHBondContact O-N 3.49Å; L139-L151 HydrophobicContact CD1-CD1 3.44Å; L139-L151 VanDerWaalsContact CD1-CD1 3.44Å; L139-L180 HydrophobicContact CD2-CD2 4.41Å; L139-L180 WeakPolarHBondContact CD2-O 3.41Å; L139-C183 HydrophobicContact CD2-CB 3.56Å; L139-A184 HydrophobicContact CD1-CB 4.17Å; L139-A184 HydrophobicContact CD2-CB 4.19Å; L139-F187 HydrophobicContact CD2-CD2 4.32Å; L139-F187 HydrophobicContact CD2-CE2 4.49Å; L139-F187 HydrophobicContact CG-CD2 4.11Å; L139-F187 HydrophobicContact CG-CE2 4.43Å; L139-I189 HydrophobicContact CD1-CB 4.5Å; L139-I189 HydrophobicContact CD1-CG2 4.34Å |
| 140 | K | 96.8 | Very high | 97 | Very high | 77 Ų | 77 | 43.6 Ų | 43.6 | 34% | 0.335 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -62.3 | -39.6 | 175.9 | -73.7 | 164.1 | -175.1 | 160.1 | 0 | 112.4 | D136 T137 E138 R144 F187 | D136-K140 WeakPolarHBondContact O-CB 3.39Å; D136-K140 WeakPolarHBondContact O-CD 3.43Å; D136-K140 VanDerWaalsContact O-CG 3.26Å; D136-K140 WeakPolarHBondContact O-CG 3.47Å; D136-K140 PolarHBondContact O-N 3.11Å; D136-K140 IonicContact OD2-NZ 2.72Å; D136-K140 PolarHBondContact OD2-NZ 3.05Å; T137-K140 PolarHBondContact O-N 3.23Å; E138-K140 VanDerWaalsContact C-N 3.33Å; E138-K140 PolarHBondContact O-N 2.87Å; K140-R144 VanDerWaalsContact O-CG 3.3Å; K140-R144 WeakPolarHBondContact O-CG 3.37Å; K140-R144 PolarHBondContact O-N 3.04Å; K140-F187 HydrophobicContact CG-CE2 3.72Å; K140-F187 HydrophobicContact CG-CZ 3.82Å |
| 141 | K | 97.1 | Very high | 96.9 | Very high | 61 Ų | 61 | 42.7 Ų | 42.7 | 27% | 0.265 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -64.8 | -43.7 | 176 | -75.8 | -176.8 | -62.4 | 175.4 | 0 | 111.3 | K115 I120 T137 E138 L139 S145 | K115-K141 PolarHBondContact O-NZ 3.25Å; I120-K141 HydrophobicContact CD1-CB 3.98Å; T137-K141 WeakPolarHBondContact O-CG 3.46Å; T137-K141 PolarHBondContact O-N 2.75Å; E138-K141 WeakPolarHBondContact O-CB 2.95Å; E138-K141 PolarHBondContact O-N 3Å; E138-K141 VanDerWaalsContact O-N 3.08Å; E138-K141 IonicContact OE1-NZ 2.89Å; E138-K141 PolarHBondContact OE1-NZ 3.16Å; E138-K141 WeakPolarHBondContact OE2-CE 3.46Å; E138-K141 IonicContact OE2-NZ 2.61Å; E138-K141 PolarHBondContact OE2-NZ 2.99Å; L139-K141 PolarHBondContact O-N 3.25Å; K141-S145 VanDerWaalsContact O-CB 3.27Å; K141-S145 WeakPolarHBondContact O-CB 3.3Å; K141-S145 PolarHBondContact O-N 3.28Å; K141-S145 PolarHBondContact O-OG 3.27Å |
| 142 | I | 97.7 | Very high | 97 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65.2 | -49.7 | 179.1 | -64.5 | 164 | 0 | 0 | 0 | 110.2 | I120 M131 C133 E138 L139 R144 S145 H146 A149 L151 | I120-I142 HydrophobicContact CD1-CG1 3.94Å; M131-I142 HydrophobicContact CG-CD1 4.29Å; M131-I142 HydrophobicContact SD-CB 4.37Å; M131-I142 HydrophobicContact SD-CD1 3.66Å; M131-I142 HydrophobicContact SD-CG1 3.73Å; M131-I142 HydrophobicContact SD-CG2 3.7Å; C133-I142 HydrophobicContact CB-CD1 4.33Å; E138-I142 HydrophobicContact CG-CD1 4.09Å; E138-I142 WeakPolarHBondContact O-CG1 3.37Å; E138-I142 PolarHBondContact O-N 3.2Å; L139-I142 PolarHBondContact O-N 2.77Å; I142-R144 PolarHBondContact O-N 2.73Å; I142-R144 VanDerWaalsContact O-N 3.12Å; I142-S145 PolarHBondContact O-N 3.16Å; I142-H146 CarbonylContact O-C 2.99Å; I142-H146 PolarHBondContact O-N 2.91Å; I142-A149 HydrophobicContact CG2-CB 3.53Å; I142-L151 HydrophobicContact CD1-CD2 3.89Å; I142-L151 HydrophobicContact CG2-CD2 4.16Å |
| 143 | A | 97.2 | Very high | 97 | Very high | 20 Ų | 20 | 42.7 Ų | 42.7 | 17% | 0.165 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -52.7 | -38.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | L139 F187 I189 | L139-A143 WeakPolarHBondContact O-CB 3.27Å; L139-A143 PolarHBondContact O-N 3.49Å; A143-F187 HydrophobicContact CB-CB 3.81Å; A143-F187 HydrophobicContact CB-CD2 4.2Å; A143-F187 HydrophobicContact CB-CG 4.03Å; A143-I189 HydrophobicContact CB-CD1 4.24Å; A143-I189 HydrophobicContact CB-CG1 3.84Å |
| 144 | R | 97 | Very high | 97 | Very high | 210 Ų | 210 | 43.6 Ų | 43.6 | 79% | 0.792 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -77.5 | -27.1 | 178.8 | -67.9 | 172 | -177.1 | 175.4 | 1.2 | 114 | K140 I142 | K140-R144 VanDerWaalsContact O-CG 3.3Å; K140-R144 WeakPolarHBondContact O-CG 3.37Å; K140-R144 PolarHBondContact O-N 3.04Å; I142-R144 PolarHBondContact O-N 2.73Å; I142-R144 VanDerWaalsContact O-N 3.12Å |
| 145 | S | 97.8 | Very high | 97 | Very high | 22 Ų | 22 | 42.7 Ų | 42.7 | 15% | 0.154 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -111 | -25.8 | -165.5 | -55.7 | 0 | 0 | 0 | 0 | 113.9 | K141 I142 | K141-S145 VanDerWaalsContact O-CB 3.27Å; K141-S145 WeakPolarHBondContact O-CB 3.3Å; K141-S145 PolarHBondContact O-N 3.28Å; K141-S145 PolarHBondContact O-OG 3.27Å; I142-S145 PolarHBondContact O-N 3.16Å |
| 146 | H | 98 | Very high | 97 | Very high | 4 Ų | 4 | 42.4 Ų | 42.4 | 2% | 0.019 | 22% | 0.217 | C | C | . | . | trans | -147.6 | 80.8 | -179.3 | -168.6 | -3.6 | 0 | 0 | 0 | 111 | I120 A124 I128 N129 M131 I142 N148 A149 | I120-H146 HydrophobicContact CG2-CB 3.74Å; A124-H146 WeakPolarHBondContact CA-NE2 3.33Å; A124-H146 HydrophobicContact CB-CB 3.82Å; A124-H146 VanDerWaalsContact CB-CG 3.44Å; I128-H146 PolarHBondContact O-CD2 3.11Å; I128-H146 PolarHBondContact O-NE2 2.74Å; N129-H146 PolarHBondContact OD1-CE1 3.18Å; N129-H146 PolarHBondContact OD1-NE2 2.79Å; M131-H146 HydrophobicContact CE-CB 4.45Å; M131-H146 WeakPolarHBondContact CE-CD2 3.46Å; I142-H146 CarbonylContact O-C 2.99Å; I142-H146 PolarHBondContact O-N 2.91Å; H146-N148 PolarHBondContact ND1-N 3.04Å; H146-N148 PolarHBondContact O-N 3.05Å; H146-A149 HydrophobicContact CB-CB 4.28Å; H146-A149 VanDerWaalsContact O-CB 3.24Å; H146-A149 WeakPolarHBondContact O-CB 3.28Å; H146-A149 PolarHBondContact O-N 3.03Å; H146-A149 VanDerWaalsContact O-N 3.13Å | ||
| 147 | P | 95.1 | Very high | 96.6 | Very high | 86 Ų | 86 | 41.3 Ų | 41.3 | 56% | 0.558 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -19.6 | -177.4 | -24 | 35.3 | 0 | 0 | 0 | 114.8 | A149 | P147-A149 VanDerWaalsContact C-N 3.33Š|
| 148 | N | 96.6 | Very high | 95.4 | Very high | 123 Ų | 123 | 44.3 Ų | 44.3 | 66% | 0.658 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.6 | 6.9 | 179.4 | -62.5 | -31.1 | 0 | 0 | 0 | 112.7 | H146 | H146-N148 PolarHBondContact ND1-N 3.04Å; H146-N148 PolarHBondContact O-N 3.05Å |
| 149 | A | 97.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.226 | C | C | . | . | trans | -60.9 | 142.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | N129 M131 I142 H146 P147 L151 | N129-A149 CarbonylContact O-C 3.59Å; N129-A149 WeakPolarHBondContact O-CA 3.42Å; M131-A149 HydrophobicContact CE-CB 3.74Å; M131-A149 HydrophobicContact CG-CB 4.39Å; M131-A149 HydrophobicContact SD-CB 3.99Å; I142-A149 HydrophobicContact CG2-CB 3.53Å; H146-A149 HydrophobicContact CB-CB 4.28Å; H146-A149 VanDerWaalsContact O-CB 3.24Å; H146-A149 WeakPolarHBondContact O-CB 3.28Å; H146-A149 PolarHBondContact O-N 3.03Å; H146-A149 VanDerWaalsContact O-N 3.13Å; P147-A149 VanDerWaalsContact C-N 3.33Å; A149-L151 HydrophobicContact CB-CD2 4.21Å | ||
| 150 | K | 98.4 | Very high | 91.6 | Very high | 87 Ų | 87 | 50.3 Ų | 50.3 | 38% | 0.378 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 112.6 | 173.5 | -68.5 | -179.6 | 178.8 | 179.8 | 0 | 107.7 | N129 I130 M131 V192 | N129-K150 PolarHBondContact O-N 3.1Å; I130-K150 WeakPolarHBondContact CA-O 3.2Å; M131-K150 PolarHBondContact N-O 2.94Å; K150-V192 HydrophobicContact CB-CB 4.47Å; K150-V192 HydrophobicContact CB-CG1 3.78Å; K150-V192 HydrophobicContact CB-CG2 3.82Å; K150-V192 HydrophobicContact CD-CG1 4.19Å; K150-V192 HydrophobicContact CG-CG1 3.94Å |
| 151 | L | 98.3 | Very high | 89.3 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 135.7 | -170 | -58.5 | -172.1 | 0 | 0 | 0 | 112.8 | M131 C133 L139 I142 A149 I189 Q190 I191 V192 G193 | M131-L151 HydrophobicContact CG-CD2 3.42Å; M131-L151 VanDerWaalsContact CG-CD2 3.42Å; M131-L151 CarbonylContact O-C 3.56Å; M131-L151 WeakPolarHBondContact O-CA 3.47Å; M131-L151 HydrophobicContact SD-CD2 4.13Å; C133-L151 HydrophobicContact CB-CD1 4.15Å; C133-L151 HydrophobicContact CB-CD2 4.47Å; L139-L151 HydrophobicContact CD1-CD1 3.44Å; L139-L151 VanDerWaalsContact CD1-CD1 3.44Å; I142-L151 HydrophobicContact CD1-CD2 3.89Å; I142-L151 HydrophobicContact CG2-CD2 4.16Å; A149-L151 HydrophobicContact CB-CD2 4.21Å; L151-I189 HydrophobicContact CD1-CG2 3.55Å; L151-I189 HydrophobicContact CG-CG2 3.74Å; L151-Q190 PolarHBondContact N-O 2.69Å; L151-I191 HydrophobicContact CB-CG1 4.38Å; L151-V192 PolarHBondContact O-N 2.6Å; L151-G193 PolarHBondContact O-N 3.3Å |
| 152 | L | 98.6 | Very high | 86.7 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 117.3 | 159.5 | -55.4 | -179 | 0 | 0 | 0 | 108.2 | I109 I130 M131 T132 C133 H154 V192 G193 K195 M231 D233 | I109-L152 HydrophobicContact CG2-CD1 4.46Å; I130-L152 HydrophobicContact CG2-CD1 4.09Å; I130-L152 HydrophobicContact CG2-CG 4.12Å; M131-L152 PolarHBondContact O-N 2.72Å; T132-L152 CarbonylContact C-O 3.52Å; T132-L152 VanDerWaalsContact CA-O 3.32Å; T132-L152 WeakPolarHBondContact CA-O 3.44Å; C133-L152 PolarHBondContact N-O 3.2Å; L152-H154 PolarHBondContact O-N 3.14Å; L152-V192 HydrophobicContact CD2-CG2 3.92Å; L152-G193 WeakPolarHBondContact CA-O 3.22Å; L152-K195 HydrophobicContact CB-CB 4.26Å; L152-M231 HydrophobicContact CD1-CG 4.44Å; L152-M231 HydrophobicContact CD1-SD 4.03Å; L152-M231 HydrophobicContact CD2-CB 3.91Å; L152-M231 HydrophobicContact CD2-CG 3.85Å; L152-M231 HydrophobicContact CD2-SD 3.92Å; L152-M231 HydrophobicContact CG-SD 4.49Å; L152-D233 HydrophobicContact CD1-CB 4.23Å |
| 153 | L | 98.2 | Very high | 84.2 | Confident | 2 Ų | 2 | 54.6 Ų | 54.6 | 1% | 0.01 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 119.4 | 173.8 | -67.1 | -174.7 | 0 | 0 | 0 | 109.2 | C133 I155 C177 L180 M181 I191 G193 V194 K195 V218 | C133-L153 WeakPolarHBondContact O-CA 3.46Å; L153-I155 PolarHBondContact O-N 3.06Å; L153-C177 HydrophobicContact CD1-CB 4.33Å; L153-L180 HydrophobicContact CD2-CB 4.26Å; L153-L180 HydrophobicContact CD2-CD1 4.15Å; L153-M181 HydrophobicContact CD1-CE 3.64Å; L153-M181 HydrophobicContact CD1-CG 4.1Å; L153-I191 HydrophobicContact CD1-CD1 4.18Å; L153-I191 HydrophobicContact CD1-CG2 4.22Å; L153-I191 HydrophobicContact CD2-CD1 4.24Å; L153-I191 HydrophobicContact CG-CD1 4.34Å; L153-I191 HydrophobicContact CG-CG2 3.9Å; L153-G193 PolarHBondContact N-O 2.87Å; L153-V194 CarbonylContact O-C 3.34Å; L153-V194 WeakPolarHBondContact O-CA 3.41Å; L153-K195 PolarHBondContact O-N 3.48Å; L153-V218 HydrophobicContact CD1-CG1 4.2Å |
| 154 | H | 97.7 | Very high | 81.6 | Confident | 22 Ų | 22 | 59.4 Ų | 59.4 | 10% | 0.102 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 108.5 | 179.5 | -179.7 | -159.6 | 0 | 0 | 0 | 109.6 | C133 D134 L152 G171 T172 K195 | C133-H154 PolarHBondContact O-N 3.13Å; D134-H154 HydrophobicContact CB-CB 4.18Å; L152-H154 PolarHBondContact O-N 3.14Å; H154-G171 CarbonylContact O-C 3.5Å; H154-G171 WeakPolarHBondContact O-CA 3.2Å; H154-T172 WeakPolarHBondContact O-CG2 3.41Å; H154-T172 PolarHBondContact O-N 3.04Å; H154-K195 CarbonylContact C-O 3.54Å; H154-K195 VanDerWaalsContact CA-O 3.29Å; H154-K195 WeakPolarHBondContact CA-O 3.37Å; H154-K195 HydrophobicContact CB-CB 4.37Å; H154-K195 PolarHBondContact CD2-O 2.75Å |
| 155 | I | 96.8 | Very high | 79 | Confident | 2 Ų | 2 | 58.8 Ų | 58.8 | 1% | 0.01 | 32% | 0.324 | C | S | . | . | B | Isolated β-bridge | trans | -88.5 | 146.7 | 178.9 | 61.9 | 172.7 | 0 | 0 | 0 | 111.1 | L153 T172 V194 K195 F196 D214 A215 V218 | L153-I155 PolarHBondContact O-N 3.06Å; I155-T172 WeakPolarHBondContact CA-O 3.27Å; I155-V194 HydrophobicContact CD1-CG1 3.89Å; I155-V194 HydrophobicContact CG1-CG1 3.91Å; I155-V194 HydrophobicContact CG2-CG1 3.97Å; I155-K195 WeakPolarHBondContact CG1-O 3.42Å; I155-K195 PolarHBondContact N-O 3.02Å; I155-F196 HydrophobicContact CD1-CB 4.32Å; I155-F196 HydrophobicContact CG1-CB 3.77Å; I155-D214 HydrophobicContact CD1-CB 3.81Å; I155-A215 HydrophobicContact CD1-CB 4.18Å; I155-V218 HydrophobicContact CG2-CG2 4.04Å |
| 156 | A | 93.4 | Very high | 76.3 | Confident | 39 Ų | 39 | 66.3 Ų | 66.3 | 32% | 0.322 | 36% | 0.359 | S | S | . | . | trans | -72.1 | 145.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | T172 | A156-T172 PolarHBondContact N-O 3.37Š| ||
| 157 | T | 86.7 | Confident | 74 | Confident | 29 Ų | 29 | 70.4 Ų | 70.4 | 18% | 0.178 | 38% | 0.381 | C | S | . | . | trans | -111.5 | 147.5 | 171.3 | 58 | 0 | 0 | 0 | 0 | 110.3 | D159 F196 H197 V198 A211 | T157-D159 WeakPolarHBondContact CB-OD1 3.25Å; T157-D159 PolarHBondContact O-N 3.01Å; T157-D159 VanDerWaalsContact O-N 3.08Å; T157-D159 PolarHBondContact OG1-OD1 3.13Å; T157-F196 HydrophobicContact CG2-CB 3.83Å; T157-F196 HydrophobicContact CG2-CD2 4.33Å; T157-F196 HydrophobicContact CG2-CG 4.45Å; T157-H197 PolarHBondContact OG1-O 2.9Å; T157-V198 HydrophobicContact CG2-CG2 4.26Å; T157-A211 HydrophobicContact CG2-CB 3.92Å | ||
| 158 | E | 71.9 | Confident | 72.3 | Confident | 141 Ų | 141 | 73.9 Ų | 73.9 | 66% | 0.659 | 39% | 0.392 | S | S | * | . | trans | -82.5 | 73.1 | 170 | -65.1 | -177.3 | 171.1 | 0 | 0 | 109 | I160 T207 | E158-I160 PolarHBondContact O-N 2.91Å; E158-I160 VanDerWaalsContact O-N 3.12Å; E158-T207 WeakPolarHBondContact O-CG2 3.24Å; E158-T207 PolarHBondContact O-OG1 2.68Å | ||
| 159 | D | 61.4 | Low | 71 | Confident | 25 Ų | 25 | 74.4 Ų | 74.4 | 13% | 0.134 | 39% | 0.388 | C | S | . | . | trans | -74.8 | 98.2 | 170.5 | -77.7 | 21.7 | 0 | 0 | 0 | 107.9 | T157 S161 S199 T207 | T157-D159 WeakPolarHBondContact CB-OD1 3.25Å; T157-D159 PolarHBondContact O-N 3.01Å; T157-D159 VanDerWaalsContact O-N 3.08Å; T157-D159 PolarHBondContact OG1-OD1 3.13Å; D159-S161 PolarHBondContact O-N 2.77Å; D159-S199 WeakPolarHBondContact OD2-CB 3.42Å; D159-S199 PolarHBondContact OD2-N 3.29Å; D159-T207 WeakPolarHBondContact OD1-CG2 3.17Å | ||
| 160 | I | 50.7 | Low | 70.4 | Confident | 107 Ų | 107 | 78.9 Ų | 78.9 | 55% | 0.549 | 41% | 0.408 | S | S | . | . | trans | -78.4 | 68.6 | 171.9 | -50.6 | 176 | 0 | 0 | 0 | 107.8 | E158 | E158-I160 PolarHBondContact O-N 2.91Å; E158-I160 VanDerWaalsContact O-N 3.12Å | ||
| 161 | S | 48.9 | Very low | 70 | Confident | 31 Ų | 31 | 75.9 Ų | 75.9 | 22% | 0.217 | 40% | 0.401 | C | S | . | . | trans | -87 | 131.3 | 167.9 | 66.7 | 0 | 0 | 0 | 0 | 109.1 | D159 D163 E164 | D159-S161 PolarHBondContact O-N 2.77Å; S161-D163 PolarHBondContact O-N 3Å; S161-E164 VanDerWaalsContact O-CG 3.3Å; S161-E164 WeakPolarHBondContact O-CG 3.44Å; S161-E164 PolarHBondContact O-N 2.85Å | ||
| 162 | A | 41.9 | Very low | 69.8 | Low | 109 Ų | 109 | 76.2 Ų | 76.2 | 90% | 0.901 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -60.2 | -6.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 163 | D | 46.2 | Very low | 69.6 | Low | 87 Ų | 87 | 80.5 Ų | 80.5 | 47% | 0.465 | 43% | 0.43 | S | S | . | . | trans | -109.5 | 59.8 | 175.1 | -71 | -42.2 | 0 | 0 | 0 | 110.5 | S161 E165 K332 | S161-D163 PolarHBondContact O-N 3Å; D163-E165 PolarHBondContact O-N 2.85Å; D163-E165 VanDerWaalsContact O-N 3.17Å; D163-K332 IonicContact OD1-NZ 3.14Å; D163-K332 PolarHBondContact OD1-NZ 3.45Å; D163-K332 IonicContact OD2-NZ 3.6Å; D163-K332 PolarHBondContact OD2-NZ 3.22Å | ||
| 164 | E | 43.3 | Very low | 69.4 | Low | 122 Ų | 122 | 83 Ų | 83 | 57% | 0.57 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -12.6 | -178 | -69.1 | -155.4 | 114.7 | 0 | 0 | 114.6 | S161 K169 | S161-E164 VanDerWaalsContact O-CG 3.3Å; S161-E164 WeakPolarHBondContact O-CG 3.44Å; S161-E164 PolarHBondContact O-N 2.85Å; E164-K169 IonicContact OE1-NZ 3.38Å; E164-K169 PolarHBondContact OE1-NZ 2.96Å |
| 165 | E | 41.8 | Very low | 69.2 | Low | 196 Ų | 196 | 90.8 Ų | 90.8 | 92% | 0.916 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | -13.7 | -170.8 | -73 | -174 | 158.1 | 0 | 0 | 115.2 | D163 | D163-E165 PolarHBondContact O-N 2.85Å; D163-E165 VanDerWaalsContact O-N 3.17Å |
| 166 | M | 40.6 | Very low | 69.2 | Low | 181 Ų | 181 | 93.3 Ų | 93.3 | 89% | 0.892 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.1 | -8.5 | -174.6 | -76.4 | -162 | 172.3 | 0 | 0 | 116.8 | ||
| 167 | N | 50.1 | Low | 69.3 | Low | 90 Ų | 90 | 91.5 Ų | 91.5 | 48% | 0.481 | 48% | 0.475 | S | S | . | . | trans | -91.3 | 118.4 | -177.8 | -73.5 | -31.7 | 0 | 0 | 0 | 112 | K169 | N167-K169 PolarHBondContact O-N 2.95Å; N167-K169 VanDerWaalsContact O-N 3.08Å | ||
| 168 | M | 59.7 | Low | 69.8 | Low | 159 Ų | 159 | 95.7 Ų | 95.7 | 78% | 0.783 | 49% | 0.487 | S | S | * | . | trans | -61.8 | 110.1 | 168 | -85.2 | -171.6 | 156.9 | 0 | 0 | 109.7 | F170 | M168-F170 HydrophobicContact CB-CE2 4.01Å; M168-F170 HydrophobicContact CB-CZ 3.99Å; M168-F170 HydrophobicContact SD-CZ 4.19Å | ||
| 169 | K | 69.3 | Low | 71 | Confident | 134 Ų | 134 | 92.7 Ų | 92.7 | 58% | 0.583 | 47% | 0.473 | S | S | * | . | trans | -79.6 | 124.4 | 173.3 | -62.6 | -173.3 | -178.7 | -177.1 | 0 | 109 | E164 N167 | E164-K169 IonicContact OE1-NZ 3.38Å; E164-K169 PolarHBondContact OE1-NZ 2.96Å; N167-K169 PolarHBondContact O-N 2.95Å; N167-K169 VanDerWaalsContact O-N 3.08Å | ||
| 170 | F | 84.5 | Confident | 72.7 | Confident | 93 Ų | 93 | 91.5 Ų | 91.5 | 41% | 0.408 | 47% | 0.467 | S | S | . | . | trans | -106.3 | 165.9 | 174.4 | -64.3 | -73 | 0 | 0 | 0 | 110.5 | P113 M168 | P113-F170 HydrophobicContact CB-CD1 3.55Å; P113-F170 HydrophobicContact CB-CE1 3.8Å; P113-F170 HydrophobicContact CB-CG 4.28Å; P113-F170 HydrophobicContact CG-CD1 3.59Å; P113-F170 HydrophobicContact CG-CE1 3.37Å; P113-F170 HydrophobicContact CG-CE2 4.47Å; P113-F170 HydrophobicContact CG-CG 4.25Å; P113-F170 HydrophobicContact CG-CZ 3.86Å; M168-F170 HydrophobicContact CB-CE2 4.01Å; M168-F170 HydrophobicContact CB-CZ 3.99Å; M168-F170 HydrophobicContact SD-CZ 4.19Å | ||
| 171 | G | 89.8 | Confident | 74.9 | Confident | 24 Ų | 24 | 86.4 Ų | 86.4 | 25% | 0.247 | 44% | 0.441 | C | S | . | . | trans | 101.4 | 165.4 | 176 | 0 | 0 | 0 | 0 | 0 | 114.1 | D134 H154 | D134-G171 PolarHBondContact OD2-N 3.27Å; H154-G171 CarbonylContact O-C 3.5Å; H154-G171 WeakPolarHBondContact O-CA 3.2Å | ||
| 172 | T | 93.8 | Very high | 77.2 | Confident | 8 Ų | 8 | 88.8 Ų | 88.8 | 5% | 0.049 | 45% | 0.448 | C | S | . | . | B | Isolated β-bridge | trans | -109.9 | 150.9 | -176.6 | 176.4 | 0 | 0 | 0 | 0 | 112.2 | D134 H154 I155 A156 N176 C177 L180 | D134-T172 HydrophobicContact CB-CG2 4.46Å; D134-T172 VanDerWaalsContact O-CB 3.32Å; D134-T172 WeakPolarHBondContact O-CB 3.44Å; H154-T172 WeakPolarHBondContact O-CG2 3.41Å; H154-T172 PolarHBondContact O-N 3.04Å; I155-T172 WeakPolarHBondContact CA-O 3.27Å; A156-T172 PolarHBondContact N-O 3.37Å; T172-N176 VanDerWaalsContact OG1-CB 3.26Å; T172-N176 WeakPolarHBondContact OG1-CB 3.34Å; T172-N176 PolarHBondContact OG1-ND2 3.4Å; T172-C177 WeakPolarHBondContact CG2-SG 3.36Å; T172-L180 HydrophobicContact CG2-CD1 3.92Å |
| 173 | T | 95.3 | Very high | 79.8 | Confident | 90 Ų | 90 | 84.1 Ų | 84.1 | 55% | 0.552 | 41% | 0.409 | S | S | * | . | trans | -69.6 | 156.8 | 170.5 | 64.7 | 0 | 0 | 0 | 0 | 111.3 | K175 N176 C177 | T173-K175 VanDerWaalsContact C-N 3.28Å; T173-K175 PolarHBondContact O-N 3.32Å; T173-N176 PolarHBondContact O-N 3.17Å; T173-N176 VanDerWaalsContact O-N 3.09Å; T173-N176 WeakPolarHBondContact OG1-CB 3.43Å; T173-N176 PolarHBondContact OG1-N 3.02Å; T173-C177 PolarHBondContact O-N 3.39Å; T173-C177 PolarHBondContact O-SG 2.98Å | ||
| 174 | L | 94.4 | Very high | 82.2 | Confident | 54 Ų | 54 | 80 Ų | 80 | 28% | 0.283 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -54.5 | -42.4 | 174.4 | -67.7 | -179.8 | 0 | 0 | 0 | 112.7 | N176 C177 R178 D214 V218 | L174-N176 VanDerWaalsContact C-N 3.31Å; L174-N176 PolarHBondContact O-N 2.98Å; L174-C177 WeakPolarHBondContact O-CB 3.23Å; L174-C177 PolarHBondContact O-N 3.32Å; L174-R178 PolarHBondContact O-N 2.81Å; L174-D214 HydrophobicContact CD1-CB 4.46Å; L174-D214 HydrophobicContact CD2-CB 3.96Å; L174-V218 HydrophobicContact CD2-CG2 3.47Å; L174-V218 VanDerWaalsContact CD2-CG2 3.47Å |
| 175 | K | 93.4 | Very high | 84.7 | Confident | 185 Ų | 185 | 80 Ų | 80 | 80% | 0.804 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -58.5 | -44.3 | 177 | -178.6 | -178.1 | 175.8 | -176 | 0 | 111.5 | T173 R178 | T173-K175 VanDerWaalsContact C-N 3.28Å; T173-K175 PolarHBondContact O-N 3.32Å; K175-R178 PolarHBondContact O-N 2.91Å |
| 176 | N | 95.3 | Very high | 87.3 | Confident | 56 Ų | 56 | 77.9 Ų | 77.9 | 30% | 0.299 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -76.9 | -24.7 | -179.2 | -173.6 | 66.8 | 0 | 0 | 0 | 112.3 | T172 T173 L174 R178 H179 L180 | T172-N176 VanDerWaalsContact OG1-CB 3.26Å; T172-N176 WeakPolarHBondContact OG1-CB 3.34Å; T172-N176 PolarHBondContact OG1-ND2 3.4Å; T173-N176 PolarHBondContact O-N 3.17Å; T173-N176 VanDerWaalsContact O-N 3.09Å; T173-N176 WeakPolarHBondContact OG1-CB 3.43Å; T173-N176 PolarHBondContact OG1-N 3.02Å; L174-N176 VanDerWaalsContact C-N 3.31Å; L174-N176 PolarHBondContact O-N 2.98Å; N176-R178 VanDerWaalsContact C-N 3.28Å; N176-R178 PolarHBondContact O-N 3.18Å; N176-H179 WeakPolarHBondContact O-CB 3.24Å; N176-H179 PolarHBondContact O-N 2.83Å; N176-H179 VanDerWaalsContact O-N 3.14Å; N176-L180 WeakPolarHBondContact O-CG 3.45Å; N176-L180 PolarHBondContact O-N 3.39Å |
| 177 | C | 96.9 | Very high | 89.9 | Confident | 0 Ų | 0 | 73.4 Ų | 73.4 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -55.7 | -42.9 | 170.1 | -66.8 | 0 | 0 | 0 | 0 | 112.1 | L153 T172 T173 L174 H179 L180 M181 V218 M221 | L153-C177 HydrophobicContact CD1-CB 4.33Å; T172-C177 WeakPolarHBondContact CG2-SG 3.36Å; T173-C177 PolarHBondContact O-N 3.39Å; T173-C177 PolarHBondContact O-SG 2.98Å; L174-C177 WeakPolarHBondContact O-CB 3.23Å; L174-C177 PolarHBondContact O-N 3.32Å; C177-H179 VanDerWaalsContact C-N 3.32Å; C177-H179 PolarHBondContact O-N 3.2Å; C177-L180 PolarHBondContact O-N 3.22Å; C177-M181 WeakPolarHBondContact O-CG 3.26Å; C177-M181 PolarHBondContact O-N 3.13Å; C177-V218 HydrophobicContact CB-CG1 4.46Å; C177-V218 HydrophobicContact CB-CG2 4.27Å; C177-M221 HydrophobicContact CB-CE 4.37Å |
| 178 | R | 96.2 | Very high | 92.1 | Very high | 118 Ų | 118 | 72 Ų | 72 | 45% | 0.445 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -58.8 | -45.3 | 176.3 | -166.4 | 177.3 | -142.7 | -160.6 | 6.5 | 111.8 | L174 K175 N176 L180 M181 E182 M221 E224 F225 | L174-R178 PolarHBondContact O-N 2.81Å; K175-R178 PolarHBondContact O-N 2.91Å; N176-R178 VanDerWaalsContact C-N 3.28Å; N176-R178 PolarHBondContact O-N 3.18Å; R178-L180 PolarHBondContact O-N 3.06Å; R178-M181 WeakPolarHBondContact O-CB 3.46Å; R178-M181 PolarHBondContact O-N 3.39Å; R178-E182 WeakPolarHBondContact O-CG 3.39Å; R178-E182 PolarHBondContact O-N 3.08Å; R178-E182 VanDerWaalsContact O-N 3.07Å; R178-M221 HydrophobicContact CB-SD 4.21Å; R178-E224 IonicContact NH2-OE2 3.85Å; R178-E224 PolarHBondContact NH2-OE2 2.96Å; R178-F225 HydrophobicContact CG-CE2 3.93Å; R178-F225 HydrophobicContact CG-CZ 4.01Å |
| 179 | H | 96.7 | Very high | 93.8 | Very high | 78 Ų | 78 | 64.7 Ų | 64.7 | 36% | 0.361 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62.2 | -41.7 | 176.5 | 179.4 | 55.4 | 0 | 0 | 0 | 112.2 | N176 C177 M181 E182 C183 | N176-H179 WeakPolarHBondContact O-CB 3.24Å; N176-H179 PolarHBondContact O-N 2.83Å; N176-H179 VanDerWaalsContact O-N 3.14Å; C177-H179 VanDerWaalsContact C-N 3.32Å; C177-H179 PolarHBondContact O-N 3.2Å; H179-M181 VanDerWaalsContact C-N 3.3Å; H179-M181 PolarHBondContact O-N 2.83Å; H179-E182 IonicContact ND1-OE2 3.84Å; H179-E182 WeakPolarHBondContact O-CB 3.34Å; H179-E182 PolarHBondContact O-N 2.88Å; H179-C183 VanDerWaalsContact CE1-SG 3.54Å; H179-C183 PolarHBondContact O-N 3.19Å |
| 180 | L | 97.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.8 | -37 | 176.2 | -66.3 | 176.4 | 0 | 0 | 0 | 112.3 | N135 D136 L139 L153 T172 N176 C177 R178 C183 A184 | N135-L180 VanDerWaalsContact C-CD2 3.49Å; D136-L180 HydrophobicContact CB-CD2 4.3Å; L139-L180 HydrophobicContact CD2-CD2 4.41Å; L139-L180 WeakPolarHBondContact CD2-O 3.41Å; L153-L180 HydrophobicContact CD2-CB 4.26Å; L153-L180 HydrophobicContact CD2-CD1 4.15Å; T172-L180 HydrophobicContact CG2-CD1 3.92Å; N176-L180 WeakPolarHBondContact O-CG 3.45Å; N176-L180 PolarHBondContact O-N 3.39Å; C177-L180 PolarHBondContact O-N 3.22Å; R178-L180 PolarHBondContact O-N 3.06Å; L180-C183 PolarHBondContact O-N 3.3Å; L180-A184 VanDerWaalsContact O-CB 3.27Å; L180-A184 WeakPolarHBondContact O-CB 3.42Å; L180-A184 PolarHBondContact O-N 3.38Å |
| 181 | M | 97.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -66 | -42.3 | 175.3 | -70.7 | 175 | -167.1 | 0 | 0 | 112.5 | L153 C177 R178 H179 A184 K185 I191 V218 M221 A222 F225 F227 | L153-M181 HydrophobicContact CD1-CE 3.64Å; L153-M181 HydrophobicContact CD1-CG 4.1Å; C177-M181 WeakPolarHBondContact O-CG 3.26Å; C177-M181 PolarHBondContact O-N 3.13Å; R178-M181 WeakPolarHBondContact O-CB 3.46Å; R178-M181 PolarHBondContact O-N 3.39Å; H179-M181 VanDerWaalsContact C-N 3.3Å; H179-M181 PolarHBondContact O-N 2.83Å; M181-A184 PolarHBondContact O-N 2.76Å; M181-K185 WeakPolarHBondContact O-CB 3.21Å; M181-K185 PolarHBondContact O-N 3.33Å; M181-I191 HydrophobicContact CB-CD1 4.24Å; M181-I191 HydrophobicContact CG-CD1 3.71Å; M181-V218 HydrophobicContact CE-CB 4.46Å; M181-V218 HydrophobicContact CE-CG1 3.39Å; M181-V218 WeakPolarHBondContact CE-O 3.41Å; M181-M221 HydrophobicContact CE-CB 4.26Å; M181-M221 HydrophobicContact SD-CB 4Å; M181-A222 HydrophobicContact CE-CB 3.81Å; M181-A222 HydrophobicContact SD-CB 3.99Å; M181-F225 HydrophobicContact CB-CD2 3.85Å; M181-F225 HydrophobicContact CB-CE2 4.07Å; M181-F225 HydrophobicContact CB-CG 4.15Å; M181-F225 HydrophobicContact SD-CD2 3.91Å; M181-F225 HydrophobicContact SD-CE2 4.3Å; M181-F227 HydrophobicContact CB-CE2 3.95Å; M181-F227 HydrophobicContact CG-CE2 4.24Å |
| 182 | E | 96.4 | Very high | 96.2 | Very high | 80 Ų | 80 | 58.5 Ų | 58.5 | 37% | 0.374 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -56.5 | -53 | 173.4 | -70.8 | 166.2 | 178.8 | 0 | 0 | 110.4 | R178 H179 A184 K185 E186 F225 | R178-E182 WeakPolarHBondContact O-CG 3.39Å; R178-E182 PolarHBondContact O-N 3.08Å; R178-E182 VanDerWaalsContact O-N 3.07Å; H179-E182 IonicContact ND1-OE2 3.84Å; H179-E182 WeakPolarHBondContact O-CB 3.34Å; H179-E182 PolarHBondContact O-N 2.88Å; E182-A184 VanDerWaalsContact C-N 3.35Å; E182-A184 PolarHBondContact O-N 3.05Å; E182-K185 WeakPolarHBondContact O-CB 3.35Å; E182-K185 PolarHBondContact O-N 2.85Å; E182-E186 WeakPolarHBondContact O-CG 3.39Å; E182-E186 PolarHBondContact O-N 3.35Å; E182-E186 VanDerWaalsContact O-N 3.08Å; E182-F225 HydrophobicContact CB-CE1 4.4Å; E182-F225 HydrophobicContact CG-CE1 3.47Å; E182-F225 VanDerWaalsContact CG-CE1 3.47Å; E182-F225 HydrophobicContact CG-CZ 3.56Å |
| 183 | C | 96.6 | Very high | 96.5 | Very high | 12 Ų | 12 | 58.1 Ų | 58.1 | 8% | 0.081 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.1 | -39.8 | 177.8 | -69.6 | 0 | 0 | 0 | 0 | 112.7 | L139 H179 L180 K185 E186 F187 | L139-C183 HydrophobicContact CD2-CB 3.56Å; H179-C183 VanDerWaalsContact CE1-SG 3.54Å; H179-C183 PolarHBondContact O-N 3.19Å; L180-C183 PolarHBondContact O-N 3.3Å; C183-K185 VanDerWaalsContact C-N 3.28Å; C183-K185 PolarHBondContact O-N 2.86Å; C183-E186 PolarHBondContact O-N 3.17Å; C183-F187 HydrophobicContact CB-CD2 4.38Å; C183-F187 HydrophobicContact CB-CE2 4.02Å; C183-F187 WeakPolarHBondContact O-CD2 3.24Å; C183-F187 VanDerWaalsContact O-CG 3.31Å; C183-F187 WeakPolarHBondContact O-CG 3.38Å; C183-F187 PolarHBondContact O-N 3.35Å |
| 184 | A | 96.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.7 | -37.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | L139 L180 M181 E182 F187 G188 I189 I191 F227 | L139-A184 HydrophobicContact CD1-CB 4.17Å; L139-A184 HydrophobicContact CD2-CB 4.19Å; L180-A184 VanDerWaalsContact O-CB 3.27Å; L180-A184 WeakPolarHBondContact O-CB 3.42Å; L180-A184 PolarHBondContact O-N 3.38Å; M181-A184 PolarHBondContact O-N 2.76Å; E182-A184 VanDerWaalsContact C-N 3.35Å; E182-A184 PolarHBondContact O-N 3.05Å; A184-F187 CarbonylContact O-C 3.59Å; A184-F187 PolarHBondContact O-N 2.95Å; A184-G188 PolarHBondContact O-N 3.38Å; A184-I189 PolarHBondContact O-N 3.33Å; A184-I191 HydrophobicContact CB-CD1 3.53Å; A184-I191 HydrophobicContact CB-CG1 3.89Å; A184-F227 HydrophobicContact CB-CZ 4.03Å |
| 185 | K | 96.1 | Very high | 96.8 | Very high | 122 Ų | 122 | 51.8 Ų | 51.8 | 53% | 0.53 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -66 | -42.7 | 175.1 | -169.9 | 167.3 | -176.4 | 164.9 | 0 | 111.9 | M181 E182 C183 F187 G188 F225 F227 | M181-K185 WeakPolarHBondContact O-CB 3.21Å; M181-K185 PolarHBondContact O-N 3.33Å; E182-K185 WeakPolarHBondContact O-CB 3.35Å; E182-K185 PolarHBondContact O-N 2.85Å; C183-K185 VanDerWaalsContact C-N 3.28Å; C183-K185 PolarHBondContact O-N 2.86Å; K185-F187 VanDerWaalsContact C-N 3.3Å; K185-F187 PolarHBondContact O-N 2.96Å; K185-G188 PolarHBondContact O-N 3.49Å; K185-F225 HydrophobicContact CD-CD1 4.2Å; K185-F225 PolarHBondContact NZ-O 3.06Å; K185-F227 HydrophobicContact CB-CZ 4.15Å |
| 186 | E | 95.8 | Very high | 96.9 | Very high | 152 Ų | 152 | 43 Ų | 43 | 71% | 0.71 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -61.2 | -38.7 | 174.2 | -70.3 | 178.7 | 174.4 | 0 | 0 | 112.5 | E182 C183 | E182-E186 WeakPolarHBondContact O-CG 3.39Å; E182-E186 PolarHBondContact O-N 3.35Å; E182-E186 VanDerWaalsContact O-N 3.08Å; C183-E186 PolarHBondContact O-N 3.17Å |
| 187 | F | 95.6 | Very high | 96.9 | Very high | 86 Ų | 86 | 44 Ų | 44 | 38% | 0.377 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -84.6 | -6.2 | 179 | -60.3 | -37.7 | 0 | 0 | 0 | 114.4 | L139 K140 A143 C183 A184 K185 I189 | L139-F187 HydrophobicContact CD2-CD2 4.32Å; L139-F187 HydrophobicContact CD2-CE2 4.49Å; L139-F187 HydrophobicContact CG-CD2 4.11Å; L139-F187 HydrophobicContact CG-CE2 4.43Å; K140-F187 HydrophobicContact CG-CE2 3.72Å; K140-F187 HydrophobicContact CG-CZ 3.82Å; A143-F187 HydrophobicContact CB-CB 3.81Å; A143-F187 HydrophobicContact CB-CD2 4.2Å; A143-F187 HydrophobicContact CB-CG 4.03Å; C183-F187 HydrophobicContact CB-CD2 4.38Å; C183-F187 HydrophobicContact CB-CE2 4.02Å; C183-F187 WeakPolarHBondContact O-CD2 3.24Å; C183-F187 VanDerWaalsContact O-CG 3.31Å; C183-F187 WeakPolarHBondContact O-CG 3.38Å; C183-F187 PolarHBondContact O-N 3.35Å; A184-F187 CarbonylContact O-C 3.59Å; A184-F187 PolarHBondContact O-N 2.95Å; K185-F187 VanDerWaalsContact C-N 3.3Å; K185-F187 PolarHBondContact O-N 2.96Å; F187-I189 VanDerWaalsContact C-N 3.31Å; F187-I189 HydrophobicContact CB-CG1 4.18Å; F187-I189 PolarHBondContact O-N 3.3Å |
| 188 | G | 95.6 | Very high | 96.6 | Very high | 61 Ų | 61 | 44 Ų | 44 | 63% | 0.629 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 68.9 | 25.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | A184 K185 | A184-G188 PolarHBondContact O-N 3.38Å; K185-G188 PolarHBondContact O-N 3.49Å |
| 189 | I | 96.8 | Very high | 96.1 | Very high | 5 Ų | 5 | 40 Ų | 40 | 3% | 0.026 | 21% | 0.206 | C | C | . | . | P | Polyproline II helix | trans | -93 | 139.4 | 179.7 | -64 | -67.4 | 0 | 0 | 0 | 110.5 | L139 A143 L151 A184 F187 F227 | L139-I189 HydrophobicContact CD1-CB 4.5Å; L139-I189 HydrophobicContact CD1-CG2 4.34Å; A143-I189 HydrophobicContact CB-CD1 4.24Å; A143-I189 HydrophobicContact CB-CG1 3.84Å; L151-I189 HydrophobicContact CD1-CG2 3.55Å; L151-I189 HydrophobicContact CG-CG2 3.74Å; A184-I189 PolarHBondContact O-N 3.33Å; F187-I189 VanDerWaalsContact C-N 3.31Å; F187-I189 HydrophobicContact CB-CG1 4.18Å; F187-I189 PolarHBondContact O-N 3.3Å; I189-F227 WeakPolarHBondContact O-CE1 3.32Å |
| 190 | Q | 97.5 | Very high | 95.3 | Very high | 111 Ų | 111 | 37.8 Ų | 37.8 | 52% | 0.519 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 127.2 | 179.3 | -63.7 | -176 | 16.5 | 0 | 0 | 110.8 | L151 V192 | L151-Q190 PolarHBondContact N-O 2.69Å; Q190-V192 HydrophobicContact CB-CG1 4.28Å |
| 191 | I | 98.3 | Very high | 94.4 | Very high | 2 Ų | 2 | 42.9 Ų | 42.9 | 1% | 0.01 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 127.1 | 161.6 | -58.9 | 171.9 | 0 | 0 | 0 | 106.7 | L151 L153 M181 A184 F227 M229 | L151-I191 HydrophobicContact CB-CG1 4.38Å; L153-I191 HydrophobicContact CD1-CD1 4.18Å; L153-I191 HydrophobicContact CD1-CG2 4.22Å; L153-I191 HydrophobicContact CD2-CD1 4.24Å; L153-I191 HydrophobicContact CG-CD1 4.34Å; L153-I191 HydrophobicContact CG-CG2 3.9Å; M181-I191 HydrophobicContact CB-CD1 4.24Å; M181-I191 HydrophobicContact CG-CD1 3.71Å; A184-I191 HydrophobicContact CB-CD1 3.53Å; A184-I191 HydrophobicContact CB-CG1 3.89Å; I191-F227 HydrophobicContact CB-CD1 4.14Å; I191-F227 HydrophobicContact CB-CD2 4.44Å; I191-F227 HydrophobicContact CB-CE1 4.36Å; I191-F227 HydrophobicContact CB-CG 4.19Å; I191-F227 HydrophobicContact CD1-CD2 4.44Å; I191-F227 HydrophobicContact CD1-CE2 3.99Å; I191-F227 HydrophobicContact CD1-CZ 4.05Å; I191-F227 HydrophobicContact CG1-CE1 4.36Å; I191-F227 HydrophobicContact CG1-CZ 4.33Å; I191-M229 HydrophobicContact CG2-CE 4.16Å; I191-M229 HydrophobicContact CG2-SD 3.79Å |
| 192 | V | 98.4 | Very high | 93.5 | Very high | 9 Ų | 9 | 44 Ų | 44 | 6% | 0.055 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | -7.3 | -174.6 | -57.9 | 0 | 0 | 0 | 0 | 112.9 | K150 L151 L152 Q190 M229 N230 M231 | K150-V192 HydrophobicContact CB-CB 4.47Å; K150-V192 HydrophobicContact CB-CG1 3.78Å; K150-V192 HydrophobicContact CB-CG2 3.82Å; K150-V192 HydrophobicContact CD-CG1 4.19Å; K150-V192 HydrophobicContact CG-CG1 3.94Å; L151-V192 PolarHBondContact O-N 2.6Å; L152-V192 HydrophobicContact CD2-CG2 3.92Å; Q190-V192 HydrophobicContact CB-CG1 4.28Å; V192-M229 CarbonylContact O-C 3.59Å; V192-M229 WeakPolarHBondContact O-CA 3.18Å; V192-N230 PolarHBondContact O-N 3.39Å; V192-N230 PolarHBondContact O-OD1 3.17Å; V192-M231 PolarHBondContact O-N 3.3Å; V192-M231 VanDerWaalsContact O-N 3.13Å |
| 193 | G | 98.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -177.6 | -175.4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | L151 L152 L153 M229 M231 | L151-G193 PolarHBondContact O-N 3.3Å; L152-G193 WeakPolarHBondContact CA-O 3.22Å; L153-G193 PolarHBondContact N-O 2.87Å; G193-M229 VanDerWaalsContact C-CE 3.48Å; G193-M229 VanDerWaalsContact CA-CE 3.45Å; G193-M229 PolarHBondContact N-SD 3.4Å; G193-M231 CarbonylContact C-O 3.6Å; G193-M231 WeakPolarHBondContact CA-O 3.49Å |
| 194 | V | 98.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 146.3 | 178.8 | 180 | 0 | 0 | 0 | 0 | 108.9 | L153 I155 A215 V218 F219 M229 M231 L232 D233 | L153-V194 CarbonylContact O-C 3.34Å; L153-V194 WeakPolarHBondContact O-CA 3.41Å; I155-V194 HydrophobicContact CD1-CG1 3.89Å; I155-V194 HydrophobicContact CG1-CG1 3.91Å; I155-V194 HydrophobicContact CG2-CG1 3.97Å; V194-A215 HydrophobicContact CB-CB 4.24Å; V194-A215 HydrophobicContact CG1-CB 3.83Å; V194-V218 HydrophobicContact CG2-CB 3.8Å; V194-V218 HydrophobicContact CG2-CG1 3.41Å; V194-V218 VanDerWaalsContact CG2-CG1 3.41Å; V194-F219 HydrophobicContact CB-CD2 4.3Å; V194-F219 HydrophobicContact CB-CE2 3.87Å; V194-F219 HydrophobicContact CG2-CD2 3.6Å; V194-F219 HydrophobicContact CG2-CE2 3.61Å; V194-M229 HydrophobicContact CG2-CE 3.81Å; V194-M231 PolarHBondContact N-O 3.48Å; V194-L232 HydrophobicContact CB-CD1 4.24Å; V194-D233 PolarHBondContact O-N 2.93Å |
| 195 | K | 98.3 | Very high | 91.7 | Very high | 11 Ų | 11 | 55.7 Ų | 55.7 | 5% | 0.048 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 144.3 | 170.3 | 173 | 175 | -174.3 | 158.2 | 0 | 109.6 | T132 L152 L153 H154 I155 D233 E271 | T132-K195 HydrophobicContact CG2-CD 3.43Å; T132-K195 VanDerWaalsContact CG2-CD 3.43Å; L152-K195 HydrophobicContact CB-CB 4.26Å; L153-K195 PolarHBondContact O-N 3.48Å; H154-K195 CarbonylContact C-O 3.54Å; H154-K195 VanDerWaalsContact CA-O 3.29Å; H154-K195 WeakPolarHBondContact CA-O 3.37Å; H154-K195 HydrophobicContact CB-CB 4.37Å; H154-K195 PolarHBondContact CD2-O 2.75Å; I155-K195 WeakPolarHBondContact CG1-O 3.42Å; I155-K195 PolarHBondContact N-O 3.02Å; K195-D233 CarbonylContact C-O 3.58Å; K195-D233 WeakPolarHBondContact CA-O 3.45Å; K195-D233 HydrophobicContact CB-CB 3.97Å; K195-D233 VanDerWaalsContact CD-OD2 3.22Å; K195-D233 WeakPolarHBondContact CD-OD2 3.49Å; K195-D233 WeakPolarHBondContact CE-OD2 3.38Å; K195-D233 HydrophobicContact CG-CB 4.06Å; K195-D233 WeakPolarHBondContact CG-OD2 3.43Å; K195-D233 IonicContact NZ-OD2 2.88Å; K195-E271 IonicContact NZ-OE1 2.68Å; K195-E271 PolarHBondContact NZ-OE1 3.34Å; K195-E271 IonicContact NZ-OE2 2.68Å; K195-E271 PolarHBondContact NZ-OE2 3.23Å |
| 196 | F | 96.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.284 | C | S | . | . | trans | -138.3 | 170.2 | 160 | 60.5 | -98.6 | 0 | 0 | 0 | 110.1 | I155 T157 V198 Y208 A211 I212 A215 L232 D233 I234 G235 | I155-F196 HydrophobicContact CD1-CB 4.32Å; I155-F196 HydrophobicContact CG1-CB 3.77Å; T157-F196 HydrophobicContact CG2-CB 3.83Å; T157-F196 HydrophobicContact CG2-CD2 4.33Å; T157-F196 HydrophobicContact CG2-CG 4.45Å; F196-V198 HydrophobicContact CD2-CG2 4.21Å; F196-V198 HydrophobicContact CE2-CG2 4.34Å; F196-Y208 HydrophobicContact CE2-CD1 4.05Å; F196-Y208 HydrophobicContact CE2-CE1 4.31Å; F196-A211 HydrophobicContact CB-CB 4.34Å; F196-A211 HydrophobicContact CD1-CB 4.04Å; F196-A211 HydrophobicContact CD2-CB 3.62Å; F196-A211 HydrophobicContact CE1-CB 4.2Å; F196-A211 HydrophobicContact CE2-CB 3.8Å; F196-A211 HydrophobicContact CG-CB 3.75Å; F196-A211 HydrophobicContact CZ-CB 4.08Å; F196-I212 HydrophobicContact CE1-CG1 4.04Å; F196-I212 HydrophobicContact CZ-CG1 3.69Å; F196-A215 HydrophobicContact CD1-CB 4.46Å; F196-L232 HydrophobicContact CE1-CD1 4.16Å; F196-D233 PolarHBondContact N-O 2.9Å; F196-I234 HydrophobicContact CE1-CB 4.37Å; F196-I234 HydrophobicContact CE1-CG2 4.1Å; F196-I234 HydrophobicContact CE2-CB 3.96Å; F196-I234 HydrophobicContact CE2-CG2 4.47Å; F196-I234 WeakPolarHBondContact CE2-O 3.09Å; F196-I234 HydrophobicContact CZ-CB 3.66Å; F196-I234 HydrophobicContact CZ-CG2 3.68Å; F196-I234 CarbonylContact O-C 3.56Å; F196-G235 WeakPolarHBondContact O-CA 3.37Å; F196-G235 PolarHBondContact O-N 2.89Å; F196-G235 VanDerWaalsContact O-N 3.17Å | ||
| 197 | H | 93.6 | Very high | 91.2 | Very high | 77 Ų | 77 | 48.1 Ų | 48.1 | 36% | 0.356 | 25% | 0.252 | S | S | . | . | trans | -141.1 | 122.4 | 174.2 | -178.7 | 88.7 | 0 | 0 | 0 | 109.7 | T157 G236 | T157-H197 PolarHBondContact OG1-O 2.9Å; H197-G236 PolarHBondContact ND1-N 2.8Å | ||
| 198 | V | 90.6 | Very high | 91.1 | Very high | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.006 | 24% | 0.235 | C | C | . | . | trans | -103.9 | 129.2 | 168.5 | -177.5 | 0 | 0 | 0 | 0 | 107.4 | T157 F196 C202 T207 Y208 G237 | T157-V198 HydrophobicContact CG2-CG2 4.26Å; F196-V198 HydrophobicContact CD2-CG2 4.21Å; F196-V198 HydrophobicContact CE2-CG2 4.34Å; V198-C202 HydrophobicContact CG1-CB 3.73Å; V198-T207 HydrophobicContact CG1-CG2 4.08Å; V198-T207 HydrophobicContact CG2-CG2 3.93Å; V198-Y208 HydrophobicContact CB-CD1 4.44Å; V198-Y208 HydrophobicContact CB-CD2 4.32Å; V198-Y208 HydrophobicContact CB-CE1 3.97Å; V198-Y208 HydrophobicContact CB-CE2 3.83Å; V198-Y208 HydrophobicContact CG1-CD2 4.1Å; V198-Y208 HydrophobicContact CG1-CE2 3.69Å; V198-Y208 HydrophobicContact CG2-CD1 3.96Å; V198-Y208 HydrophobicContact CG2-CD2 4.28Å; V198-Y208 HydrophobicContact CG2-CE1 3.93Å; V198-Y208 HydrophobicContact CG2-CE2 4.25Å; V198-Y208 HydrophobicContact CG2-CG 4.14Å; V198-G237 WeakPolarHBondContact O-CA 3.03Å; V198-G237 PolarHBondContact O-N 3.31Å | ||
| 199 | S | 85.9 | Confident | 91 | Very high | 34 Ų | 34 | 43.7 Ų | 43.7 | 24% | 0.238 | 22% | 0.217 | C | C | . | . | trans | -59.9 | 144.5 | 179.8 | -179 | 0 | 0 | 0 | 0 | 112 | D159 N201 C202 | D159-S199 WeakPolarHBondContact OD2-CB 3.42Å; D159-S199 PolarHBondContact OD2-N 3.29Å; S199-N201 PolarHBondContact O-N 3.42Å; S199-N201 VanDerWaalsContact O-N 3.16Å; S199-N201 PolarHBondContact OG-N 3.02Å; S199-C202 VanDerWaalsContact O-CB 3.22Å; S199-C202 WeakPolarHBondContact O-CB 3.47Å; S199-C202 PolarHBondContact O-N 2.57Å | ||
| 200 | S | 81.3 | Confident | 90.9 | Very high | 30 Ų | 30 | 48 Ų | 48 | 21% | 0.21 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -18.3 | 170.6 | 57.3 | 0 | 0 | 0 | 0 | 113.1 | ||
| 201 | N | 78.1 | Confident | 90.8 | Very high | 107 Ų | 107 | 42.9 Ų | 42.9 | 57% | 0.572 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | -7 | 176.3 | -62.7 | -26.4 | 0 | 0 | 0 | 112.5 | S199 K203 | S199-N201 PolarHBondContact O-N 3.42Å; S199-N201 VanDerWaalsContact O-N 3.16Å; S199-N201 PolarHBondContact OG-N 3.02Å; N201-K203 PolarHBondContact O-N 2.78Å |
| 202 | C | 79.2 | Confident | 90.8 | Very high | 24 Ų | 24 | 42.8 Ų | 42.8 | 16% | 0.162 | 21% | 0.213 | C | C | . | . | trans | -71.3 | 120.3 | 175.5 | -172 | 0 | 0 | 0 | 0 | 109.9 | V198 S199 | V198-C202 HydrophobicContact CG1-CB 3.73Å; S199-C202 VanDerWaalsContact O-CB 3.22Å; S199-C202 WeakPolarHBondContact O-CB 3.47Å; S199-C202 PolarHBondContact O-N 2.57Å | ||
| 203 | K | 79.2 | Confident | 90.7 | Very high | 201 Ų | 201 | 44.6 Ų | 44.6 | 87% | 0.874 | 23% | 0.226 | S | C | * | . | trans | -88.9 | -15.9 | 177.3 | -61.6 | -173.7 | -175.3 | -177.9 | 0 | 112.7 | N201 L205 | N201-K203 PolarHBondContact O-N 2.78Å; K203-L205 PolarHBondContact O-N 3.19Å | ||
| 204 | E | 85.9 | Confident | 90.6 | Very high | 93 Ų | 93 | 47.1 Ų | 47.1 | 44% | 0.435 | 24% | 0.239 | S | C | . | . | trans | -90.4 | 98.7 | -176.4 | -65.4 | -170.2 | -178.2 | 0 | 0 | 110.6 | Q206 T207 | E204-Q206 PolarHBondContact O-N 2.83Å; E204-T207 PolarHBondContact O-N 3.44Å; E204-T207 VanDerWaalsContact O-N 3.12Å; E204-T207 PolarHBondContact O-OG1 2.57Å | ||
| 205 | L | 87.2 | Confident | 90.6 | Very high | 43 Ų | 43 | 47.1 Ų | 47.1 | 23% | 0.225 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -15.8 | 177.1 | -61.3 | 175.7 | 0 | 0 | 0 | 113.2 | K203 T207 Y208 E247 V248 V251 | K203-L205 PolarHBondContact O-N 3.19Å; L205-T207 PolarHBondContact O-N 3.36Å; L205-Y208 PolarHBondContact O-N 3.27Å; L205-E247 HydrophobicContact CD1-CB 4.32Å; L205-V248 HydrophobicContact CD2-CG2 4.05Å; L205-V251 HydrophobicContact CB-CG1 4.43Å; L205-V251 HydrophobicContact CB-CG2 3.98Å; L205-V251 HydrophobicContact CD1-CG2 3.78Å; L205-V251 HydrophobicContact CG-CG2 4.43Å |
| 206 | Q | 89.8 | Confident | 90.6 | Very high | 109 Ų | 109 | 48.9 Ų | 48.9 | 51% | 0.509 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61.1 | -28.6 | 174.5 | -64.4 | -58.9 | -50.4 | 0 | 0 | 112.5 | E204 Y208 I209 H210 | E204-Q206 PolarHBondContact O-N 2.83Å; Q206-Y208 VanDerWaalsContact C-N 3.27Å; Q206-Y208 PolarHBondContact O-N 3.26Å; Q206-I209 WeakPolarHBondContact O-CA 3.48Å; Q206-I209 WeakPolarHBondContact O-CB 3.4Å; Q206-I209 PolarHBondContact O-N 2.88Å; Q206-H210 PolarHBondContact O-N 3.24Å; Q206-H210 VanDerWaalsContact O-N 3.08Å |
| 207 | T | 91.6 | Very high | 90.7 | Very high | 6 Ų | 6 | 51.3 Ų | 51.3 | 4% | 0.037 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.2 | -37.8 | 177.1 | -52.7 | 0 | 0 | 0 | 0 | 111.9 | E158 D159 V198 E204 L205 I209 H210 A211 | E158-T207 WeakPolarHBondContact O-CG2 3.24Å; E158-T207 PolarHBondContact O-OG1 2.68Å; D159-T207 WeakPolarHBondContact OD1-CG2 3.17Å; V198-T207 HydrophobicContact CG1-CG2 4.08Å; V198-T207 HydrophobicContact CG2-CG2 3.93Å; E204-T207 PolarHBondContact O-N 3.44Å; E204-T207 VanDerWaalsContact O-N 3.12Å; E204-T207 PolarHBondContact O-OG1 2.57Å; L205-T207 PolarHBondContact O-N 3.36Å; T207-I209 VanDerWaalsContact C-N 3.3Å; T207-I209 PolarHBondContact O-N 3.11Å; T207-H210 PolarHBondContact O-N 3.13Å; T207-A211 VanDerWaalsContact O-CB 3.31Å; T207-A211 WeakPolarHBondContact O-CB 3.28Å; T207-A211 PolarHBondContact O-N 2.96Å |
| 208 | Y | 92.8 | Very high | 90.9 | Very high | 7 Ų | 7 | 47.6 Ų | 47.6 | 3% | 0.027 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.4 | -35.6 | 173.3 | -80.3 | -80.4 | 0 | 0 | 0 | 112.2 | F196 V198 L205 Q206 A211 I212 V248 I252 | F196-Y208 HydrophobicContact CE2-CD1 4.05Å; F196-Y208 HydrophobicContact CE2-CE1 4.31Å; V198-Y208 HydrophobicContact CB-CD1 4.44Å; V198-Y208 HydrophobicContact CB-CD2 4.32Å; V198-Y208 HydrophobicContact CB-CE1 3.97Å; V198-Y208 HydrophobicContact CB-CE2 3.83Å; V198-Y208 HydrophobicContact CG1-CD2 4.1Å; V198-Y208 HydrophobicContact CG1-CE2 3.69Å; V198-Y208 HydrophobicContact CG2-CD1 3.96Å; V198-Y208 HydrophobicContact CG2-CD2 4.28Å; V198-Y208 HydrophobicContact CG2-CE1 3.93Å; V198-Y208 HydrophobicContact CG2-CE2 4.25Å; V198-Y208 HydrophobicContact CG2-CG 4.14Å; L205-Y208 PolarHBondContact O-N 3.27Å; Q206-Y208 VanDerWaalsContact C-N 3.27Å; Q206-Y208 PolarHBondContact O-N 3.26Å; Y208-A211 PolarHBondContact O-N 2.99Å; Y208-I212 WeakPolarHBondContact O-CB 3.27Å; Y208-I212 VanDerWaalsContact O-CG1 3.23Å; Y208-I212 WeakPolarHBondContact O-CG1 3.27Å; Y208-I212 PolarHBondContact O-N 3.34Å; Y208-V248 HydrophobicContact CE1-CG1 4.26Å; Y208-V248 HydrophobicContact CE2-CG1 4.14Å; Y208-V248 HydrophobicContact CE2-CG2 4.16Å; Y208-I252 HydrophobicContact CD1-CG2 3.81Å; Y208-I252 HydrophobicContact CG-CG2 3.99Å |
| 209 | I | 93.9 | Very high | 91.3 | Very high | 47 Ų | 47 | 47.9 Ų | 47.9 | 24% | 0.241 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.7 | -49.2 | 179.3 | -51.2 | -165.6 | 0 | 0 | 0 | 110.3 | Q206 T207 S213 V251 L255 | Q206-I209 WeakPolarHBondContact O-CA 3.48Å; Q206-I209 WeakPolarHBondContact O-CB 3.4Å; Q206-I209 PolarHBondContact O-N 2.88Å; T207-I209 VanDerWaalsContact C-N 3.3Å; T207-I209 PolarHBondContact O-N 3.11Å; I209-S213 WeakPolarHBondContact O-CB 3.42Å; I209-S213 PolarHBondContact O-N 3.43Å; I209-V251 HydrophobicContact CD1-CG1 3.91Å; I209-V251 HydrophobicContact CG1-CG1 3.61Å; I209-L255 HydrophobicContact CB-CD1 3.98Å; I209-L255 HydrophobicContact CG1-CD1 3.82Å; I209-L255 HydrophobicContact CG2-CD1 3.9Å; I209-L255 HydrophobicContact CG2-CD2 4.3Å |
| 210 | H | 94.3 | Very high | 91.9 | Very high | 95 Ų | 95 | 49.6 Ų | 49.6 | 44% | 0.44 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -61.8 | -46.5 | 177.2 | -63 | 170.4 | 0 | 0 | 0 | 111.1 | Q206 T207 I212 S213 D214 | Q206-H210 PolarHBondContact O-N 3.24Å; Q206-H210 VanDerWaalsContact O-N 3.08Å; T207-H210 PolarHBondContact O-N 3.13Å; H210-I212 PolarHBondContact O-N 3.27Å; H210-S213 PolarHBondContact O-N 3.3Å; H210-D214 WeakPolarHBondContact O-CB 3.49Å; H210-D214 PolarHBondContact O-N 3.31Å |
| 211 | A | 95.6 | Very high | 92.7 | Very high | 4 Ų | 4 | 49.4 Ų | 49.4 | 3% | 0.033 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.4 | -41.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | T157 F196 T207 Y208 A215 | T157-A211 HydrophobicContact CG2-CB 3.92Å; F196-A211 HydrophobicContact CB-CB 4.34Å; F196-A211 HydrophobicContact CD1-CB 4.04Å; F196-A211 HydrophobicContact CD2-CB 3.62Å; F196-A211 HydrophobicContact CE1-CB 4.2Å; F196-A211 HydrophobicContact CE2-CB 3.8Å; F196-A211 HydrophobicContact CG-CB 3.75Å; F196-A211 HydrophobicContact CZ-CB 4.08Å; T207-A211 VanDerWaalsContact O-CB 3.31Å; T207-A211 WeakPolarHBondContact O-CB 3.28Å; T207-A211 PolarHBondContact O-N 2.96Å; Y208-A211 PolarHBondContact O-N 2.99Å; A211-A215 WeakPolarHBondContact O-CB 3.33Å; A211-A215 PolarHBondContact O-N 2.75Å |
| 212 | I | 97.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -69.7 | -39.5 | 177.4 | -65.3 | 169.8 | 0 | 0 | 0 | 110.8 | F196 Y208 H210 A215 R216 I252 L255 L256 Y259 F260 | F196-I212 HydrophobicContact CE1-CG1 4.04Å; F196-I212 HydrophobicContact CZ-CG1 3.69Å; Y208-I212 WeakPolarHBondContact O-CB 3.27Å; Y208-I212 VanDerWaalsContact O-CG1 3.23Å; Y208-I212 WeakPolarHBondContact O-CG1 3.27Å; Y208-I212 PolarHBondContact O-N 3.34Å; H210-I212 PolarHBondContact O-N 3.27Å; I212-A215 PolarHBondContact O-N 2.93Å; I212-R216 PolarHBondContact O-N 3.35Å; I212-I252 HydrophobicContact CD1-CB 3.8Å; I212-I252 HydrophobicContact CD1-CG2 3.8Å; I212-L255 HydrophobicContact CD1-CB 4.23Å; I212-L255 HydrophobicContact CD1-CD1 4.13Å; I212-L255 HydrophobicContact CG2-CB 4.06Å; I212-L256 HydrophobicContact CD1-CD2 4.43Å; I212-L256 HydrophobicContact CG2-CD2 4.42Å; I212-Y259 HydrophobicContact CG2-CD2 3.83Å; I212-F260 HydrophobicContact CG2-CD2 4.29Å; I212-F260 HydrophobicContact CG2-CE2 3.9Å |
| 213 | S | 96.7 | Very high | 94.4 | Very high | 47 Ų | 47 | 50 Ų | 50 | 33% | 0.329 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -63.1 | -43.9 | 175 | 178 | 0 | 0 | 0 | 0 | 111.7 | I209 H210 R216 C217 | I209-S213 WeakPolarHBondContact O-CB 3.42Å; I209-S213 PolarHBondContact O-N 3.43Å; H210-S213 PolarHBondContact O-N 3.3Å; S213-R216 WeakPolarHBondContact O-CB 3.32Å; S213-R216 PolarHBondContact O-N 3.4Å; S213-C217 PolarHBondContact O-N 2.76Å |
| 214 | D | 97.6 | Very high | 95.2 | Very high | 53 Ų | 53 | 46.7 Ų | 46.7 | 28% | 0.283 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -64.1 | -41.6 | 176.4 | -78.6 | 2.1 | 0 | 0 | 0 | 111.2 | I155 L174 H210 R216 C217 V218 | I155-D214 HydrophobicContact CD1-CB 3.81Å; L174-D214 HydrophobicContact CD1-CB 4.46Å; L174-D214 HydrophobicContact CD2-CB 3.96Å; H210-D214 WeakPolarHBondContact O-CB 3.49Å; H210-D214 PolarHBondContact O-N 3.31Å; D214-R216 VanDerWaalsContact C-N 3.3Å; D214-R216 PolarHBondContact O-N 2.94Å; D214-C217 WeakPolarHBondContact O-CB 3.49Å; D214-C217 PolarHBondContact O-N 3.15Å; D214-V218 VanDerWaalsContact O-CG2 3.29Å; D214-V218 WeakPolarHBondContact O-CG2 3.31Å; D214-V218 PolarHBondContact O-N 3.26Å |
| 215 | A | 98.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59 | -42.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | I155 V194 F196 A211 I212 C217 V218 F219 L232 F260 | I155-A215 HydrophobicContact CD1-CB 4.18Å; V194-A215 HydrophobicContact CB-CB 4.24Å; V194-A215 HydrophobicContact CG1-CB 3.83Å; F196-A215 HydrophobicContact CD1-CB 4.46Å; A211-A215 WeakPolarHBondContact O-CB 3.33Å; A211-A215 PolarHBondContact O-N 2.75Å; I212-A215 PolarHBondContact O-N 2.93Å; A215-C217 PolarHBondContact O-N 3.46Å; A215-V218 PolarHBondContact O-N 2.83Å; A215-F219 VanDerWaalsContact O-CD2 3.25Å; A215-F219 WeakPolarHBondContact O-CD2 3.21Å; A215-F219 PolarHBondContact O-N 3.07Å; A215-L232 HydrophobicContact CB-CD1 3.71Å; A215-F260 HydrophobicContact CB-CZ 4.24Å |
| 216 | R | 98.3 | Very high | 96.2 | Very high | 48 Ų | 48 | 44.8 Ų | 44.8 | 18% | 0.181 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59.7 | -45.5 | 175.3 | -178.4 | 64.6 | -97.2 | 175.9 | -7.2 | 111.7 | I212 S213 D214 V218 F219 D220 Y259 F260 | I212-R216 PolarHBondContact O-N 3.35Å; S213-R216 WeakPolarHBondContact O-CB 3.32Å; S213-R216 PolarHBondContact O-N 3.4Å; D214-R216 VanDerWaalsContact C-N 3.3Å; D214-R216 PolarHBondContact O-N 2.94Å; R216-V218 VanDerWaalsContact C-N 3.27Å; R216-V218 PolarHBondContact O-N 2.55Å; R216-F219 VanDerWaalsContact NH2-CB 3.3Å; R216-F219 WeakPolarHBondContact O-CB 3.4Å; R216-F219 PolarHBondContact O-N 3.32Å; R216-F219 VanDerWaalsContact O-N 3.14Å; R216-D220 IonicContact CZ-OD1 3.98Å; R216-D220 IonicContact NE-OD1 3.3Å; R216-D220 PolarHBondContact NE-OD1 3.2Å; R216-D220 IonicContact NE-OD2 3.43Å; R216-D220 IonicContact NH2-OD1 3.02Å; R216-D220 PolarHBondContact NH2-OD1 3.22Å; R216-D220 VanDerWaalsContact O-CG 3.27Å; R216-D220 PolarHBondContact O-N 2.94Å; R216-Y259 HydrophobicContact CB-CD1 4.2Å; R216-Y259 HydrophobicContact CB-CG 4.15Å; R216-Y259 WeakPolarHBondContact CD-O 3.42Å; R216-Y259 HydrophobicContact CG-CD1 3.74Å; R216-Y259 HydrophobicContact CG-CE1 4.4Å; R216-Y259 HydrophobicContact CG-CG 4.1Å; R216-Y259 PolarHBondContact NH1-O 3.5Å; R216-F260 HydrophobicContact CB-CE2 4.38Å; R216-F260 HydrophobicContact CB-CZ 4.07Å |
| 217 | C | 98.1 | Very high | 96.5 | Very high | 51 Ų | 51 | 41.1 Ų | 41.1 | 35% | 0.345 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -57.6 | -41 | 175.8 | -178.1 | 0 | 0 | 0 | 0 | 111.9 | S213 D214 A215 D220 M221 | S213-C217 PolarHBondContact O-N 2.76Å; D214-C217 WeakPolarHBondContact O-CB 3.49Å; D214-C217 PolarHBondContact O-N 3.15Å; A215-C217 PolarHBondContact O-N 3.46Å; C217-D220 PolarHBondContact O-N 2.84Å; C217-M221 WeakPolarHBondContact O-CG 3.35Å; C217-M221 PolarHBondContact O-N 3.17Å |
| 218 | V | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -68 | -38.2 | 177.2 | 177.8 | 0 | 0 | 0 | 0 | 111.8 | L153 I155 L174 C177 M181 V194 D214 A215 R216 M221 A222 | L153-V218 HydrophobicContact CD1-CG1 4.2Å; I155-V218 HydrophobicContact CG2-CG2 4.04Å; L174-V218 HydrophobicContact CD2-CG2 3.47Å; L174-V218 VanDerWaalsContact CD2-CG2 3.47Å; C177-V218 HydrophobicContact CB-CG1 4.46Å; C177-V218 HydrophobicContact CB-CG2 4.27Å; M181-V218 HydrophobicContact CE-CB 4.46Å; M181-V218 HydrophobicContact CE-CG1 3.39Å; M181-V218 WeakPolarHBondContact CE-O 3.41Å; V194-V218 HydrophobicContact CG2-CB 3.8Å; V194-V218 HydrophobicContact CG2-CG1 3.41Å; V194-V218 VanDerWaalsContact CG2-CG1 3.41Å; D214-V218 VanDerWaalsContact O-CG2 3.29Å; D214-V218 WeakPolarHBondContact O-CG2 3.31Å; D214-V218 PolarHBondContact O-N 3.26Å; A215-V218 PolarHBondContact O-N 2.83Å; R216-V218 VanDerWaalsContact C-N 3.27Å; R216-V218 PolarHBondContact O-N 2.55Å; V218-M221 HydrophobicContact CB-CE 4.3Å; V218-M221 HydrophobicContact CG2-CE 3.87Å; V218-M221 PolarHBondContact O-N 3.25Å; V218-A222 WeakPolarHBondContact O-CB 3.19Å; V218-A222 PolarHBondContact O-N 2.94Å |
| 219 | F | 98.5 | Very high | 97 | Very high | 6 Ų | 6 | 50.5 Ų | 50.5 | 3% | 0.026 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.1 | -42.9 | 172.7 | -89.3 | -117.4 | 0 | 0 | 0 | 111.9 | V194 A215 R216 A222 E223 M229 M231 L232 F260 V266 | V194-F219 HydrophobicContact CB-CD2 4.3Å; V194-F219 HydrophobicContact CB-CE2 3.87Å; V194-F219 HydrophobicContact CG2-CD2 3.6Å; V194-F219 HydrophobicContact CG2-CE2 3.61Å; A215-F219 VanDerWaalsContact O-CD2 3.25Å; A215-F219 WeakPolarHBondContact O-CD2 3.21Å; A215-F219 PolarHBondContact O-N 3.07Å; R216-F219 VanDerWaalsContact NH2-CB 3.3Å; R216-F219 WeakPolarHBondContact O-CB 3.4Å; R216-F219 PolarHBondContact O-N 3.32Å; R216-F219 VanDerWaalsContact O-N 3.14Å; F219-A222 PolarHBondContact O-N 3.24Å; F219-E223 PolarHBondContact O-N 3.1Å; F219-E223 VanDerWaalsContact O-N 3.07Å; F219-M229 HydrophobicContact CD1-CB 3.34Å; F219-M229 HydrophobicContact CD1-CG 4.09Å; F219-M229 HydrophobicContact CD2-CE 3.94Å; F219-M229 HydrophobicContact CE1-CB 3.43Å; F219-M229 VanDerWaalsContact CE1-CB 3.43Å; F219-M229 HydrophobicContact CE1-CG 4.48Å; F219-M229 HydrophobicContact CE2-CE 4.12Å; F219-M229 HydrophobicContact CG-CB 4.06Å; F219-M229 HydrophobicContact CG-CE 4.19Å; F219-M229 HydrophobicContact CG-CG 4.35Å; F219-M229 HydrophobicContact CZ-CB 4.22Å; F219-M229 HydrophobicContact CZ-CE 4.5Å; F219-M231 VanDerWaalsContact CZ-O 3.3Å; F219-M231 WeakPolarHBondContact CZ-O 3.5Å; F219-L232 HydrophobicContact CE2-CD1 4.34Å; F219-L232 HydrophobicContact CZ-CB 4.28Å; F219-F260 HydrophobicContact CB-CE1 4.42Å; F219-F260 HydrophobicContact CD1-CD1 4.45Å; F219-F260 AromaticContact CD1-CE1 3.84Å; F219-F260 HydrophobicContact CD1-CE1 3.84Å; F219-F260 AromaticContact CD2-CE1 3.76Å; F219-F260 HydrophobicContact CD2-CE1 3.76Å; F219-F260 HydrophobicContact CD2-CZ 4.16Å; F219-F260 HydrophobicContact CE1-CD1 4.28Å; F219-F260 AromaticContact CE1-CE1 3.9Å; F219-F260 HydrophobicContact CE1-CE1 3.9Å; F219-F260 AromaticContact CE2-CE1 3.79Å; F219-F260 HydrophobicContact CE2-CE1 3.79Å; F219-F260 HydrophobicContact CE2-CZ 4.25Å; F219-F260 AromaticContact CG-CE1 3.76Å; F219-F260 HydrophobicContact CG-CE1 3.76Å; F219-F260 HydrophobicContact CG-CZ 4.48Å; F219-F260 HydrophobicContact CZ-CD1 4.41Å; F219-F260 AromaticContact CZ-CE1 3.86Å; F219-F260 HydrophobicContact CZ-CE1 3.86Å; F219-V266 HydrophobicContact CD1-CG2 4.39Å; F219-V266 HydrophobicContact CE1-CG1 3.97Å; F219-V266 HydrophobicContact CE1-CG2 3.67Å; F219-V266 HydrophobicContact CZ-CG1 3.98Å; F219-V266 HydrophobicContact CZ-CG2 4.5Å |
| 220 | D | 98 | Very high | 97.2 | Very high | 71 Ų | 71 | 51.6 Ų | 51.6 | 38% | 0.38 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62.6 | -46.4 | 177.9 | -60.9 | -20.4 | 0 | 0 | 0 | 110.9 | R216 C217 A222 E223 E224 | R216-D220 IonicContact CZ-OD1 3.98Å; R216-D220 IonicContact NE-OD1 3.3Å; R216-D220 PolarHBondContact NE-OD1 3.2Å; R216-D220 IonicContact NE-OD2 3.43Å; R216-D220 IonicContact NH2-OD1 3.02Å; R216-D220 PolarHBondContact NH2-OD1 3.22Å; R216-D220 VanDerWaalsContact O-CG 3.27Å; R216-D220 PolarHBondContact O-N 2.94Å; C217-D220 PolarHBondContact O-N 2.84Å; D220-A222 VanDerWaalsContact C-N 3.31Å; D220-A222 PolarHBondContact O-N 3.32Å; D220-E223 PolarHBondContact O-N 3.44Å; D220-E224 PolarHBondContact O-N 3.49Å |
| 221 | M | 97.9 | Very high | 97.4 | Very high | 26 Ų | 26 | 48 Ų | 48 | 13% | 0.128 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -57.7 | -44.7 | 174.1 | -72.6 | -171.3 | -71.8 | 0 | 0 | 111.5 | C177 R178 M181 C217 V218 E223 E224 F225 | C177-M221 HydrophobicContact CB-CE 4.37Å; R178-M221 HydrophobicContact CB-SD 4.21Å; M181-M221 HydrophobicContact CE-CB 4.26Å; M181-M221 HydrophobicContact SD-CB 4Å; C217-M221 WeakPolarHBondContact O-CG 3.35Å; C217-M221 PolarHBondContact O-N 3.17Å; V218-M221 HydrophobicContact CB-CE 4.3Å; V218-M221 HydrophobicContact CG2-CE 3.87Å; V218-M221 PolarHBondContact O-N 3.25Å; M221-E223 VanDerWaalsContact C-N 3.28Å; M221-E223 PolarHBondContact O-N 3Å; M221-E224 WeakPolarHBondContact O-CB 3.44Å; M221-E224 PolarHBondContact O-N 3.08Å; M221-E224 VanDerWaalsContact O-N 3.15Å; M221-F225 VanDerWaalsContact O-CD2 3.23Å; M221-F225 WeakPolarHBondContact O-CD2 3.42Å; M221-F225 PolarHBondContact O-N 3.15Å |
| 222 | A | 97.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.2 | -34.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | M181 V218 F219 D220 F225 G226 F227 M229 | M181-A222 HydrophobicContact CE-CB 3.81Å; M181-A222 HydrophobicContact SD-CB 3.99Å; V218-A222 WeakPolarHBondContact O-CB 3.19Å; V218-A222 PolarHBondContact O-N 2.94Å; F219-A222 PolarHBondContact O-N 3.24Å; D220-A222 VanDerWaalsContact C-N 3.31Å; D220-A222 PolarHBondContact O-N 3.32Å; A222-F225 PolarHBondContact O-N 2.96Å; A222-G226 PolarHBondContact O-N 3.48Å; A222-F227 HydrophobicContact CB-CB 4.15Å; A222-F227 HydrophobicContact CB-CD2 4.37Å; A222-F227 WeakPolarHBondContact O-CB 3.45Å; A222-F227 PolarHBondContact O-N 2.95Å; A222-M229 HydrophobicContact CB-CE 3.97Å; A222-M229 HydrophobicContact CB-CG 3.5Å; A222-M229 VanDerWaalsContact CB-CG 3.5Å; A222-M229 HydrophobicContact CB-SD 3.6Å |
| 223 | E | 95.6 | Very high | 97.6 | Very high | 143 Ų | 143 | 47.9 Ų | 47.9 | 67% | 0.668 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -63.8 | -40.2 | 174 | -172 | 172.1 | -171.1 | 0 | 0 | 111.7 | F219 D220 M221 F225 G226 | F219-E223 PolarHBondContact O-N 3.1Å; F219-E223 VanDerWaalsContact O-N 3.07Å; D220-E223 PolarHBondContact O-N 3.44Å; M221-E223 VanDerWaalsContact C-N 3.28Å; M221-E223 PolarHBondContact O-N 3Å; E223-F225 PolarHBondContact O-N 3.35Å; E223-G226 WeakPolarHBondContact O-CA 3.41Å; E223-G226 PolarHBondContact O-N 3.12Å |
| 224 | E | 96.7 | Very high | 97.7 | Very high | 132 Ų | 132 | 45.6 Ų | 45.6 | 62% | 0.617 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -58.2 | -34.7 | 173.3 | -60.8 | 178.4 | 177.3 | 0 | 0 | 112.2 | R178 D220 M221 G226 | R178-E224 IonicContact NH2-OE2 3.85Å; R178-E224 PolarHBondContact NH2-OE2 2.96Å; D220-E224 PolarHBondContact O-N 3.49Å; M221-E224 WeakPolarHBondContact O-CB 3.44Å; M221-E224 PolarHBondContact O-N 3.08Å; M221-E224 VanDerWaalsContact O-N 3.15Å; E224-G226 VanDerWaalsContact C-N 3.29Å |
| 225 | F | 96.2 | Very high | 97.5 | Very high | 34 Ų | 34 | 43.1 Ų | 43.1 | 15% | 0.149 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -79.1 | -11.5 | 175.6 | -75.9 | -82.3 | 0 | 0 | 0 | 113.5 | R178 M181 E182 K185 M221 A222 E223 F227 | R178-F225 HydrophobicContact CG-CE2 3.93Å; R178-F225 HydrophobicContact CG-CZ 4.01Å; M181-F225 HydrophobicContact CB-CD2 3.85Å; M181-F225 HydrophobicContact CB-CE2 4.07Å; M181-F225 HydrophobicContact CB-CG 4.15Å; M181-F225 HydrophobicContact SD-CD2 3.91Å; M181-F225 HydrophobicContact SD-CE2 4.3Å; E182-F225 HydrophobicContact CB-CE1 4.4Å; E182-F225 HydrophobicContact CG-CE1 3.47Å; E182-F225 VanDerWaalsContact CG-CE1 3.47Å; E182-F225 HydrophobicContact CG-CZ 3.56Å; K185-F225 HydrophobicContact CD-CD1 4.2Å; K185-F225 PolarHBondContact NZ-O 3.06Å; M221-F225 VanDerWaalsContact O-CD2 3.23Å; M221-F225 WeakPolarHBondContact O-CD2 3.42Å; M221-F225 PolarHBondContact O-N 3.15Å; A222-F225 PolarHBondContact O-N 2.96Å; E223-F225 PolarHBondContact O-N 3.35Å; F225-F227 HydrophobicContact CB-CD2 3.62Å; F225-F227 HydrophobicContact CB-CE2 3.65Å; F225-F227 HydrophobicContact CG-CE2 4.35Å |
| 226 | G | 96.7 | Very high | 97.2 | Very high | 62 Ų | 62 | 43.6 Ų | 43.6 | 64% | 0.639 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 85.7 | 17.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | A222 E223 E224 | A222-G226 PolarHBondContact O-N 3.48Å; E223-G226 WeakPolarHBondContact O-CA 3.41Å; E223-G226 PolarHBondContact O-N 3.12Å; E224-G226 VanDerWaalsContact C-N 3.29Å |
| 227 | F | 97.9 | Very high | 96.6 | Very high | 31 Ų | 31 | 41.3 Ų | 41.3 | 14% | 0.136 | 22% | 0.219 | C | C | . | . | trans | -76.3 | 145.3 | 172.7 | -67.1 | -66.3 | 0 | 0 | 0 | 110.9 | M181 A184 K185 I189 I191 A222 F225 M229 | M181-F227 HydrophobicContact CB-CE2 3.95Å; M181-F227 HydrophobicContact CG-CE2 4.24Å; A184-F227 HydrophobicContact CB-CZ 4.03Å; K185-F227 HydrophobicContact CB-CZ 4.15Å; I189-F227 WeakPolarHBondContact O-CE1 3.32Å; I191-F227 HydrophobicContact CB-CD1 4.14Å; I191-F227 HydrophobicContact CB-CD2 4.44Å; I191-F227 HydrophobicContact CB-CE1 4.36Å; I191-F227 HydrophobicContact CB-CG 4.19Å; I191-F227 HydrophobicContact CD1-CD2 4.44Å; I191-F227 HydrophobicContact CD1-CE2 3.99Å; I191-F227 HydrophobicContact CD1-CZ 4.05Å; I191-F227 HydrophobicContact CG1-CE1 4.36Å; I191-F227 HydrophobicContact CG1-CZ 4.33Å; A222-F227 HydrophobicContact CB-CB 4.15Å; A222-F227 HydrophobicContact CB-CD2 4.37Å; A222-F227 WeakPolarHBondContact O-CB 3.45Å; A222-F227 PolarHBondContact O-N 2.95Å; F225-F227 HydrophobicContact CB-CD2 3.62Å; F225-F227 HydrophobicContact CB-CE2 3.65Å; F225-F227 HydrophobicContact CG-CE2 4.35Å; F227-M229 HydrophobicContact CB-SD 4.45Å | ||
| 228 | K | 96.7 | Very high | 96.4 | Very high | 186 Ų | 186 | 38.9 Ų | 38.9 | 81% | 0.809 | 20% | 0.203 | S | C | * | . | trans | -98.7 | 91.9 | 175.4 | -67.3 | -174.6 | 178.6 | -175.6 | 0 | 109.1 | ||||
| 229 | M | 97.9 | Very high | 96 | Very high | 25 Ų | 25 | 41.5 Ų | 41.5 | 12% | 0.123 | 22% | 0.219 | C | C | . | . | trans | -80 | 130.3 | 179.2 | -56.2 | -68.7 | -84.4 | 0 | 0 | 110.4 | I191 V192 G193 V194 F219 A222 F227 | I191-M229 HydrophobicContact CG2-CE 4.16Å; I191-M229 HydrophobicContact CG2-SD 3.79Å; V192-M229 CarbonylContact O-C 3.59Å; V192-M229 WeakPolarHBondContact O-CA 3.18Å; G193-M229 VanDerWaalsContact C-CE 3.48Å; G193-M229 VanDerWaalsContact CA-CE 3.45Å; G193-M229 PolarHBondContact N-SD 3.4Å; V194-M229 HydrophobicContact CG2-CE 3.81Å; F219-M229 HydrophobicContact CD1-CB 3.34Å; F219-M229 HydrophobicContact CD1-CG 4.09Å; F219-M229 HydrophobicContact CD2-CE 3.94Å; F219-M229 HydrophobicContact CE1-CB 3.43Å; F219-M229 VanDerWaalsContact CE1-CB 3.43Å; F219-M229 HydrophobicContact CE1-CG 4.48Å; F219-M229 HydrophobicContact CE2-CE 4.12Å; F219-M229 HydrophobicContact CG-CB 4.06Å; F219-M229 HydrophobicContact CG-CE 4.19Å; F219-M229 HydrophobicContact CG-CG 4.35Å; F219-M229 HydrophobicContact CZ-CB 4.22Å; F219-M229 HydrophobicContact CZ-CE 4.5Å; A222-M229 HydrophobicContact CB-CE 3.97Å; A222-M229 HydrophobicContact CB-CG 3.5Å; A222-M229 VanDerWaalsContact CB-CG 3.5Å; A222-M229 HydrophobicContact CB-SD 3.6Å; F227-M229 HydrophobicContact CB-SD 4.45Å | ||
| 230 | N | 97.8 | Very high | 95.5 | Very high | 70 Ų | 70 | 41.7 Ų | 41.7 | 37% | 0.374 | 22% | 0.223 | S | C | . | . | trans | -147.4 | 10.1 | -177 | 68.9 | 2.2 | 0 | 0 | 0 | 114.2 | V192 N267 | V192-N230 PolarHBondContact O-N 3.39Å; V192-N230 PolarHBondContact O-OD1 3.17Å; N230-N267 PolarHBondContact O-N 3.08Å | ||
| 231 | M | 98.4 | Very high | 95.2 | Very high | 20 Ų | 20 | 40.8 Ų | 40.8 | 10% | 0.099 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 130 | -178.1 | -173.8 | 167.7 | -78.1 | 0 | 0 | 111.7 | I130 L152 V192 G193 V194 F219 N267 I269 | I130-M231 HydrophobicContact CD1-CE 4.02Å; I130-M231 HydrophobicContact CD1-SD 4.31Å; I130-M231 HydrophobicContact CG2-SD 4.13Å; L152-M231 HydrophobicContact CD1-CG 4.44Å; L152-M231 HydrophobicContact CD1-SD 4.03Å; L152-M231 HydrophobicContact CD2-CB 3.91Å; L152-M231 HydrophobicContact CD2-CG 3.85Å; L152-M231 HydrophobicContact CD2-SD 3.92Å; L152-M231 HydrophobicContact CG-SD 4.49Å; V192-M231 PolarHBondContact O-N 3.3Å; V192-M231 VanDerWaalsContact O-N 3.13Å; G193-M231 CarbonylContact C-O 3.6Å; G193-M231 WeakPolarHBondContact CA-O 3.49Å; V194-M231 PolarHBondContact N-O 3.48Å; F219-M231 VanDerWaalsContact CZ-O 3.3Å; F219-M231 WeakPolarHBondContact CZ-O 3.5Å; M231-N267 WeakPolarHBondContact CA-O 3.15Å; M231-I269 HydrophobicContact CG-CD1 4.25Å; M231-I269 HydrophobicContact CG-CG1 4.5Å; M231-I269 HydrophobicContact SD-CD1 3.97Å |
| 232 | L | 98.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 121.5 | 172.2 | 176 | 65 | 0 | 0 | 0 | 108.8 | V194 F196 A215 F219 I234 L256 F260 V266 N267 V268 I269 | V194-L232 HydrophobicContact CB-CD1 4.24Å; F196-L232 HydrophobicContact CE1-CD1 4.16Å; A215-L232 HydrophobicContact CB-CD1 3.71Å; F219-L232 HydrophobicContact CE2-CD1 4.34Å; F219-L232 HydrophobicContact CZ-CB 4.28Å; L232-I234 HydrophobicContact CD2-CG2 4.31Å; L232-I234 HydrophobicContact CG-CG2 4.22Å; L232-L256 HydrophobicContact CD2-CD2 3.74Å; L232-F260 HydrophobicContact CD2-CD1 4.49Å; L232-F260 HydrophobicContact CD2-CD2 3.62Å; L232-F260 HydrophobicContact CD2-CE1 4.46Å; L232-F260 HydrophobicContact CD2-CE2 3.58Å; L232-F260 HydrophobicContact CD2-CG 4.09Å; L232-F260 HydrophobicContact CD2-CZ 4.01Å; L232-V266 HydrophobicContact CB-CG1 4.05Å; L232-N267 PolarHBondContact N-O 3.14Å; L232-V268 HydrophobicContact CD2-CG1 4.46Å; L232-V268 CarbonylContact O-C 3.55Å; L232-V268 WeakPolarHBondContact O-CA 3.07Å; L232-I269 PolarHBondContact O-N 3.08Å |
| 233 | D | 98.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 115.9 | 174.4 | 178.3 | 6.2 | 0 | 0 | 0 | 110.2 | L152 V194 K195 F196 G235 I269 | L152-D233 HydrophobicContact CD1-CB 4.23Å; V194-D233 PolarHBondContact O-N 2.93Å; K195-D233 CarbonylContact C-O 3.58Å; K195-D233 WeakPolarHBondContact CA-O 3.45Å; K195-D233 HydrophobicContact CB-CB 3.97Å; K195-D233 VanDerWaalsContact CD-OD2 3.22Å; K195-D233 WeakPolarHBondContact CD-OD2 3.49Å; K195-D233 WeakPolarHBondContact CE-OD2 3.38Å; K195-D233 HydrophobicContact CG-CB 4.06Å; K195-D233 WeakPolarHBondContact CG-OD2 3.43Å; K195-D233 IonicContact NZ-OD2 2.88Å; F196-D233 PolarHBondContact N-O 2.9Å; D233-G235 VanDerWaalsContact C-N 3.32Å; D233-G235 PolarHBondContact OD1-N 3.43Å; D233-I269 WeakPolarHBondContact CA-O 3.45Å; D233-I269 HydrophobicContact CB-CD1 3.91Å; D233-I269 HydrophobicContact CB-CG1 3.62Å |
| 234 | I | 97.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 24% | 0.244 | C | C | . | . | trans | -89.2 | 3.6 | -177.9 | 69 | 169 | 0 | 0 | 0 | 113.6 | I62 F196 L232 F238 I252 V268 I269 A270 | I62-I234 HydrophobicContact CD1-CD1 3.91Å; I62-I234 HydrophobicContact CG2-CD1 4.34Å; F196-I234 HydrophobicContact CE1-CB 4.37Å; F196-I234 HydrophobicContact CE1-CG2 4.1Å; F196-I234 HydrophobicContact CE2-CB 3.96Å; F196-I234 HydrophobicContact CE2-CG2 4.47Å; F196-I234 WeakPolarHBondContact CE2-O 3.09Å; F196-I234 HydrophobicContact CZ-CB 3.66Å; F196-I234 HydrophobicContact CZ-CG2 3.68Å; F196-I234 CarbonylContact O-C 3.56Å; L232-I234 HydrophobicContact CD2-CG2 4.31Å; L232-I234 HydrophobicContact CG-CG2 4.22Å; I234-F238 HydrophobicContact CD1-CZ 3.98Å; I234-I252 HydrophobicContact CD1-CD1 3.65Å; I234-V268 HydrophobicContact CG2-CG1 3.94Å; I234-I269 WeakPolarHBondContact CG1-O 3.31Å; I234-I269 PolarHBondContact N-O 3.33Å; I234-A270 HydrophobicContact CD1-CB 4.1Å; I234-A270 HydrophobicContact CG1-CB 3.68Å | ||
| 235 | G | 95.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | trans | 76.2 | -159.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | F196 D233 F238 E271 | F196-G235 WeakPolarHBondContact O-CA 3.37Å; F196-G235 PolarHBondContact O-N 2.89Å; F196-G235 VanDerWaalsContact O-N 3.17Å; D233-G235 VanDerWaalsContact C-N 3.32Å; D233-G235 PolarHBondContact OD1-N 3.43Å; G235-F238 WeakPolarHBondContact O-CE2 3.17Å; G235-E271 PolarHBondContact O-N 2.92Å | ||
| 236 | G | 90.4 | Very high | 94.6 | Very high | 10 Ų | 10 | 41.4 Ų | 41.4 | 10% | 0.103 | 23% | 0.228 | C | C | . | . | trans | -129.7 | 13.4 | -157.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | H197 F238 E271 | H197-G236 PolarHBondContact ND1-N 2.8Å; G236-F238 PolarHBondContact O-N 3.38Å; G236-E271 WeakPolarHBondContact CA-O 3.47Å | ||
| 237 | G | 87.3 | Confident | 94.5 | Very high | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.01 | 22% | 0.22 | C | C | . | . | trans | -69.7 | 50.1 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | V198 Q244 | V198-G237 WeakPolarHBondContact O-CA 3.03Å; V198-G237 PolarHBondContact O-N 3.31Å; G237-Q244 PolarHBondContact O-NE2 2.97Å | ||
| 238 | F | 92.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | trans | -117.1 | 117 | -176.1 | -55 | -75.5 | 0 | 0 | 0 | 109.9 | W55 M59 I234 G235 G236 G240 L245 V248 A270 P272 C274 Y275 | W55-F238 HydrophobicContact CH2-CD2 4.07Å; W55-F238 HydrophobicContact CH2-CE1 4.3Å; W55-F238 AromaticContact CH2-CE2 3.75Å; W55-F238 HydrophobicContact CH2-CE2 3.75Å; W55-F238 HydrophobicContact CH2-CG 4.49Å; W55-F238 AromaticContact CH2-CZ 3.86Å; W55-F238 HydrophobicContact CH2-CZ 3.86Å; W55-F238 HydrophobicContact CZ3-CD1 4.18Å; W55-F238 AromaticContact CZ3-CD2 3.95Å; W55-F238 HydrophobicContact CZ3-CD2 3.95Å; W55-F238 HydrophobicContact CZ3-CE1 4.29Å; W55-F238 HydrophobicContact CZ3-CE2 4.08Å; W55-F238 HydrophobicContact CZ3-CG 4Å; W55-F238 HydrophobicContact CZ3-CZ 4.24Å; M59-F238 HydrophobicContact CE-CD1 4.33Å; M59-F238 HydrophobicContact CE-CE1 3.41Å; M59-F238 VanDerWaalsContact CE-CE1 3.41Å; M59-F238 HydrophobicContact CE-CZ 3.87Å; I234-F238 HydrophobicContact CD1-CZ 3.98Å; G235-F238 WeakPolarHBondContact O-CE2 3.17Å; G236-F238 PolarHBondContact O-N 3.38Å; F238-G240 VanDerWaalsContact C-N 3.32Å; F238-G240 PolarHBondContact O-N 3.36Å; F238-L245 HydrophobicContact CD1-CD1 3.74Å; F238-L245 HydrophobicContact CE1-CD1 4.17Å; F238-L245 HydrophobicContact CG-CD1 4.47Å; F238-V248 HydrophobicContact CE1-CB 4.46Å; F238-V248 HydrophobicContact CE1-CG1 3.88Å; F238-A270 HydrophobicContact CE2-CB 3.99Å; F238-A270 HydrophobicContact CZ-CB 4.45Å; F238-P272 HydrophobicContact CD2-CB 3.97Å; F238-C274 PolarHBondContact O-SG 2.88Å; F238-Y275 HydrophobicContact CB-CD2 4.02Å; F238-Y275 HydrophobicContact CB-CG 4.23Å; F238-Y275 PolarHBondContact O-N 3.47Å | ||
| 239 | T | 90.2 | Very high | 94.3 | Very high | 54 Ų | 54 | 34.4 Ų | 34.4 | 33% | 0.331 | 18% | 0.183 | S | C | . | . | trans | -75.9 | -20 | -171.3 | 58.4 | 0 | 0 | 0 | 0 | 113.8 | S241 Q244 | T239-S241 WeakPolarHBondContact OG1-CB 3.36Å; T239-S241 PolarHBondContact OG1-N 3.03Å; T239-Q244 HydrophobicContact CG2-CG 4.3Å; T239-Q244 PolarHBondContact OG1-OE1 2.98Å | ||
| 240 | G | 88.9 | Confident | 94.2 | Very high | 11 Ų | 11 | 41.8 Ų | 41.8 | 11% | 0.113 | 21% | 0.21 | C | C | . | . | S | Bend | trans | 99.8 | -11.1 | -167.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | K51 F238 | K51-G240 PolarHBondContact NZ-O 3.32Å; F238-G240 VanDerWaalsContact C-N 3.32Å; F238-G240 PolarHBondContact O-N 3.36Å |
| 241 | S | 91.1 | Very high | 94 | Very high | 51 Ų | 51 | 39.7 Ų | 39.7 | 36% | 0.357 | 20% | 0.199 | S | C | . | . | trans | -73.5 | 137.2 | 173.5 | 174.8 | 0 | 0 | 0 | 0 | 111.5 | T239 L243 Q244 L245 | T239-S241 WeakPolarHBondContact OG1-CB 3.36Å; T239-S241 PolarHBondContact OG1-N 3.03Å; S241-L243 PolarHBondContact OG-N 2.96Å; S241-Q244 PolarHBondContact O-N 2.9Å; S241-L245 PolarHBondContact O-N 3.04Å; S241-L245 VanDerWaalsContact O-N 3.09Å | ||
| 242 | E | 91.9 | Very high | 93.9 | Very high | 107 Ų | 107 | 38.7 Ų | 38.7 | 50% | 0.5 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -64.1 | -46.9 | 174.2 | -174.8 | 161.3 | -150.2 | 0 | 0 | 112.7 | Q244 L245 E246 | E242-Q244 VanDerWaalsContact C-N 3.25Å; E242-Q244 PolarHBondContact O-N 3.38Å; E242-L245 WeakPolarHBondContact O-CB 3.37Å; E242-L245 PolarHBondContact O-N 3.45Å; E242-L245 VanDerWaalsContact O-N 3.11Å; E242-E246 HydrophobicContact CG-CG 4.5Å; E242-E246 WeakPolarHBondContact O-CG 3.42Å; E242-E246 PolarHBondContact O-N 2.96Å |
| 243 | L | 93.4 | Very high | 93.7 | Very high | 120 Ų | 120 | 42.4 Ų | 42.4 | 63% | 0.628 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -56 | -44.3 | 177.3 | -64.6 | 173.3 | 0 | 0 | 0 | 111.1 | S241 E246 E247 | S241-L243 PolarHBondContact OG-N 2.96Å; L243-E246 PolarHBondContact O-N 3.41Å; L243-E247 WeakPolarHBondContact O-CB 3.22Å; L243-E247 VanDerWaalsContact O-CG 3.26Å; L243-E247 WeakPolarHBondContact O-CG 3.27Å; L243-E247 PolarHBondContact O-N 3.34Å |
| 244 | Q | 93.9 | Very high | 93.6 | Very high | 29 Ų | 29 | 45.9 Ų | 45.9 | 14% | 0.136 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -66.6 | -40.1 | 179.8 | -170.2 | -106.8 | -0.5 | 0 | 0 | 111.9 | G237 T239 S241 E242 E247 V248 | G237-Q244 PolarHBondContact O-NE2 2.97Å; T239-Q244 HydrophobicContact CG2-CG 4.3Å; T239-Q244 PolarHBondContact OG1-OE1 2.98Å; S241-Q244 PolarHBondContact O-N 2.9Å; E242-Q244 VanDerWaalsContact C-N 3.25Å; E242-Q244 PolarHBondContact O-N 3.38Å; Q244-E247 PolarHBondContact O-N 3.03Å; Q244-V248 VanDerWaalsContact O-CG2 3.29Å; Q244-V248 WeakPolarHBondContact O-CG2 3.3Å; Q244-V248 PolarHBondContact O-N 2.91Å |
| 245 | L | 95.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63 | -44.3 | 176.5 | -170.3 | 72 | 0 | 0 | 0 | 111.5 | Q54 W55 V58 M59 F238 S241 E242 N249 Y275 | Q54-L245 HydrophobicContact CG-CD2 4.34Å; W55-L245 HydrophobicContact CE3-CD1 3.88Å; W55-L245 HydrophobicContact CZ3-CD1 3.75Å; V58-L245 HydrophobicContact CB-CD2 3.78Å; V58-L245 HydrophobicContact CB-CG 4.21Å; V58-L245 HydrophobicContact CG1-CD2 4.05Å; V58-L245 HydrophobicContact CG1-CG 3.9Å; V58-L245 HydrophobicContact CG2-CD2 4.05Å; M59-L245 HydrophobicContact CE-CD1 3.87Å; M59-L245 HydrophobicContact CG-CD1 3.85Å; M59-L245 HydrophobicContact CG-CD2 4.47Å; M59-L245 HydrophobicContact CG-CG 4.2Å; F238-L245 HydrophobicContact CD1-CD1 3.74Å; F238-L245 HydrophobicContact CE1-CD1 4.17Å; F238-L245 HydrophobicContact CG-CD1 4.47Å; S241-L245 PolarHBondContact O-N 3.04Å; S241-L245 VanDerWaalsContact O-N 3.09Å; E242-L245 WeakPolarHBondContact O-CB 3.37Å; E242-L245 PolarHBondContact O-N 3.45Å; E242-L245 VanDerWaalsContact O-N 3.11Å; L245-N249 VanDerWaalsContact O-CB 3.28Å; L245-N249 WeakPolarHBondContact O-CB 3.42Å; L245-N249 PolarHBondContact O-N 3.26Å; L245-Y275 HydrophobicContact CD1-CE2 4.14Å; L245-Y275 HydrophobicContact CD2-CE2 3.93Å; L245-Y275 HydrophobicContact CG-CE2 4.47Å |
| 246 | E | 95.6 | Very high | 93.6 | Very high | 93 Ų | 93 | 47.8 Ų | 47.8 | 44% | 0.435 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -65.2 | -43.3 | 177.4 | -70.4 | -178.6 | 162.5 | 0 | 0 | 112.4 | V58 E242 L243 N249 R250 | V58-E246 HydrophobicContact CG1-CG 4.4Å; V58-E246 HydrophobicContact CG2-CG 4.37Å; E242-E246 HydrophobicContact CG-CG 4.5Å; E242-E246 WeakPolarHBondContact O-CG 3.42Å; E242-E246 PolarHBondContact O-N 2.96Å; L243-E246 PolarHBondContact O-N 3.41Å; E246-N249 PolarHBondContact O-N 2.87Å; E246-R250 WeakPolarHBondContact O-CB 3.2Å; E246-R250 PolarHBondContact O-N 3.14Å |
| 247 | E | 94.9 | Very high | 93.9 | Very high | 100 Ų | 100 | 51.2 Ų | 51.2 | 47% | 0.467 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -60.8 | -45.7 | 177 | -78.3 | 179.2 | 156.4 | 0 | 0 | 111.9 | L205 L243 Q244 R250 V251 | L205-E247 HydrophobicContact CD1-CB 4.32Å; L243-E247 WeakPolarHBondContact O-CB 3.22Å; L243-E247 VanDerWaalsContact O-CG 3.26Å; L243-E247 WeakPolarHBondContact O-CG 3.27Å; L243-E247 PolarHBondContact O-N 3.34Å; Q244-E247 PolarHBondContact O-N 3.03Å; E247-R250 PolarHBondContact O-N 2.87Å; E247-V251 PolarHBondContact O-N 2.91Å |
| 248 | V | 94.8 | Very high | 94.3 | Very high | 2 Ų | 2 | 56.2 Ų | 56.2 | 1% | 0.012 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.6 | -48.8 | 175.5 | 173.8 | 0 | 0 | 0 | 0 | 110 | M59 L205 Y208 F238 Q244 R250 V251 I252 | M59-V248 HydrophobicContact CE-CG1 4.34Å; L205-V248 HydrophobicContact CD2-CG2 4.05Å; Y208-V248 HydrophobicContact CE1-CG1 4.26Å; Y208-V248 HydrophobicContact CE2-CG1 4.14Å; Y208-V248 HydrophobicContact CE2-CG2 4.16Å; F238-V248 HydrophobicContact CE1-CB 4.46Å; F238-V248 HydrophobicContact CE1-CG1 3.88Å; Q244-V248 VanDerWaalsContact O-CG2 3.29Å; Q244-V248 WeakPolarHBondContact O-CG2 3.3Å; Q244-V248 PolarHBondContact O-N 2.91Å; V248-R250 VanDerWaalsContact C-N 3.3Å; V248-R250 PolarHBondContact O-N 2.91Å; V248-V251 PolarHBondContact O-N 3.11Å; V248-I252 HydrophobicContact CG1-CD1 4.25Å; V248-I252 HydrophobicContact CG1-CG2 4.04Å; V248-I252 WeakPolarHBondContact O-CG1 3.06Å; V248-I252 PolarHBondContact O-N 3.18Å |
| 249 | N | 95.6 | Very high | 94.6 | Very high | 30 Ų | 30 | 59.8 Ų | 59.8 | 16% | 0.16 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -57 | -42.3 | 179.3 | -173.3 | 42.2 | 0 | 0 | 0 | 112.4 | V58 M59 L245 E246 V251 I252 R253 | V58-N249 HydrophobicContact CG1-CB 3.7Å; V58-N249 PolarHBondContact O-ND2 3.34Å; V58-N249 PolarHBondContact O-OD1 3.45Å; M59-N249 HydrophobicContact CE-CB 4.47Å; M59-N249 HydrophobicContact SD-CB 3.74Å; L245-N249 VanDerWaalsContact O-CB 3.28Å; L245-N249 WeakPolarHBondContact O-CB 3.42Å; L245-N249 PolarHBondContact O-N 3.26Å; E246-N249 PolarHBondContact O-N 2.87Å; N249-V251 PolarHBondContact O-N 2.85Å; N249-I252 PolarHBondContact O-N 3.16Å; N249-R253 WeakPolarHBondContact O-CB 3.46Å; N249-R253 PolarHBondContact O-N 2.99Å |
| 250 | R | 95.8 | Very high | 94.9 | Very high | 179 Ų | 179 | 57.7 Ų | 57.7 | 68% | 0.675 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -57.7 | -31.8 | 177.6 | -171.9 | 179.9 | 70.4 | 174.6 | -1.5 | 112.6 | E246 E247 V248 P254 | E246-R250 WeakPolarHBondContact O-CB 3.2Å; E246-R250 PolarHBondContact O-N 3.14Å; E247-R250 PolarHBondContact O-N 2.87Å; V248-R250 VanDerWaalsContact C-N 3.3Å; V248-R250 PolarHBondContact O-N 2.91Å; R250-P254 WeakPolarHBondContact O-CD 3.4Å |
| 251 | V | 94.9 | Very high | 95.2 | Very high | 26 Ų | 26 | 59.1 Ų | 59.1 | 16% | 0.158 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -87.3 | -46.9 | 179.4 | 174.3 | 0 | 0 | 0 | 0 | 111.8 | L205 I209 E247 V248 N249 L255 | L205-V251 HydrophobicContact CB-CG1 4.43Å; L205-V251 HydrophobicContact CB-CG2 3.98Å; L205-V251 HydrophobicContact CD1-CG2 3.78Å; L205-V251 HydrophobicContact CG-CG2 4.43Å; I209-V251 HydrophobicContact CD1-CG1 3.91Å; I209-V251 HydrophobicContact CG1-CG1 3.61Å; E247-V251 PolarHBondContact O-N 2.91Å; V248-V251 PolarHBondContact O-N 3.11Å; N249-V251 PolarHBondContact O-N 2.85Å; V251-L255 WeakPolarHBondContact O-CD1 3.36Å |
| 252 | I | 95.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -75.7 | -34.2 | -174.4 | 68.7 | 172.8 | 0 | 0 | 0 | 112.5 | M59 I62 Y208 I212 I234 V248 N249 L255 L256 | M59-I252 HydrophobicContact CE-CD1 3.73Å; M59-I252 HydrophobicContact SD-CD1 4.18Å; I62-I252 HydrophobicContact CD1-CD1 3.74Å; Y208-I252 HydrophobicContact CD1-CG2 3.81Å; Y208-I252 HydrophobicContact CG-CG2 3.99Å; I212-I252 HydrophobicContact CD1-CB 3.8Å; I212-I252 HydrophobicContact CD1-CG2 3.8Å; I234-I252 HydrophobicContact CD1-CD1 3.65Å; V248-I252 HydrophobicContact CG1-CD1 4.25Å; V248-I252 HydrophobicContact CG1-CG2 4.04Å; V248-I252 WeakPolarHBondContact O-CG1 3.06Å; V248-I252 PolarHBondContact O-N 3.18Å; N249-I252 PolarHBondContact O-N 3.16Å; I252-L255 WeakPolarHBondContact O-CB 3.48Å; I252-L255 PolarHBondContact O-N 2.82Å; I252-L255 VanDerWaalsContact O-N 3.14Å; I252-L256 HydrophobicContact CD1-CD1 4.33Å; I252-L256 HydrophobicContact CG1-CD1 4.38Å; I252-L256 WeakPolarHBondContact O-CG 3.42Å; I252-L256 PolarHBondContact O-N 3.03Å |
| 253 | R | 95.3 | Very high | 95.3 | Very high | 77 Ų | 77 | 67.4 Ų | 67.4 | 29% | 0.291 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62.6 | -48.6 | -170.4 | -179.9 | 57.6 | 178.5 | -88.2 | -5.6 | 113.3 | N249 L255 L256 D257 | N249-R253 WeakPolarHBondContact O-CB 3.46Å; N249-R253 PolarHBondContact O-N 2.99Å; R253-L255 PolarHBondContact O-N 2.8Å; R253-L256 PolarHBondContact O-N 3.49Å; R253-D257 IonicContact CZ-OD1 3.38Å; R253-D257 IonicContact NE-OD1 2.8Å; R253-D257 PolarHBondContact NE-OD1 2.87Å; R253-D257 IonicContact NE-OD2 2.66Å; R253-D257 PolarHBondContact NE-OD2 3.48Å; R253-D257 PolarHBondContact O-N 2.93Å |
| 254 | P | 96.1 | Very high | 95.3 | Very high | 74 Ų | 74 | 64.1 Ų | 64.1 | 48% | 0.481 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -59.5 | -34.1 | 175.9 | -23.5 | 34.8 | 0 | 0 | 0 | 113 | R250 V258 | R250-P254 WeakPolarHBondContact O-CD 3.4Å; P254-V258 VanDerWaalsContact O-CG2 3.31Å; P254-V258 WeakPolarHBondContact O-CG2 3.34Å; P254-V258 PolarHBondContact O-N 3.38Å |
| 255 | L | 96.1 | Very high | 95.3 | Very high | 30 Ų | 30 | 65 Ų | 65 | 16% | 0.157 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -72.7 | -41.8 | 179.2 | -60.8 | 171.6 | 0 | 0 | 0 | 111.8 | I209 I212 V251 I252 R253 D257 V258 Y259 | I209-L255 HydrophobicContact CB-CD1 3.98Å; I209-L255 HydrophobicContact CG1-CD1 3.82Å; I209-L255 HydrophobicContact CG2-CD1 3.9Å; I209-L255 HydrophobicContact CG2-CD2 4.3Å; I212-L255 HydrophobicContact CD1-CB 4.23Å; I212-L255 HydrophobicContact CD1-CD1 4.13Å; I212-L255 HydrophobicContact CG2-CB 4.06Å; V251-L255 WeakPolarHBondContact O-CD1 3.36Å; I252-L255 WeakPolarHBondContact O-CB 3.48Å; I252-L255 PolarHBondContact O-N 2.82Å; I252-L255 VanDerWaalsContact O-N 3.14Å; R253-L255 PolarHBondContact O-N 2.8Å; L255-D257 VanDerWaalsContact C-N 3.35Å; L255-V258 PolarHBondContact O-N 2.86Å; L255-Y259 HydrophobicContact CB-CD2 4.27Å; L255-Y259 HydrophobicContact CD2-CE2 4.08Å; L255-Y259 WeakPolarHBondContact O-CB 3.48Å; L255-Y259 WeakPolarHBondContact O-CD2 3.07Å; L255-Y259 PolarHBondContact O-N 3.5Å |
| 256 | L | 96.6 | Very high | 95.4 | Very high | 9 Ų | 9 | 65.9 Ų | 65.9 | 5% | 0.047 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.8 | -42.9 | 174.7 | -67.6 | 177.6 | 0 | 0 | 0 | 110.9 | I62 I212 L232 I252 R253 V258 F260 V268 | I62-L256 HydrophobicContact CD1-CD1 3.93Å; I62-L256 HydrophobicContact CG1-CD1 4.45Å; I212-L256 HydrophobicContact CD1-CD2 4.43Å; I212-L256 HydrophobicContact CG2-CD2 4.42Å; L232-L256 HydrophobicContact CD2-CD2 3.74Å; I252-L256 HydrophobicContact CD1-CD1 4.33Å; I252-L256 HydrophobicContact CG1-CD1 4.38Å; I252-L256 WeakPolarHBondContact O-CG 3.42Å; I252-L256 PolarHBondContact O-N 3.03Å; R253-L256 PolarHBondContact O-N 3.49Å; L256-V258 PolarHBondContact O-N 3.43Å; L256-F260 HydrophobicContact CD2-CD2 4.08Å; L256-F260 CarbonylContact O-C 3.55Å; L256-F260 VanDerWaalsContact O-CA 3.26Å; L256-F260 WeakPolarHBondContact O-CA 3.13Å; L256-F260 PolarHBondContact O-N 3.24Å; L256-F260 VanDerWaalsContact O-O 3.13Å; L256-V268 HydrophobicContact CD1-CG1 4.13Å; L256-V268 HydrophobicContact CD2-CG1 4.28Å; L256-V268 HydrophobicContact CD2-CG2 4.28Å |
| 257 | D | 95.4 | Very high | 95.5 | Very high | 82 Ų | 82 | 66 Ų | 66 | 44% | 0.439 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -62.8 | -29.2 | 178 | -69.3 | -21 | 0 | 0 | 0 | 112.1 | R253 L255 P261 | R253-D257 IonicContact CZ-OD1 3.38Å; R253-D257 IonicContact NE-OD1 2.8Å; R253-D257 PolarHBondContact NE-OD1 2.87Å; R253-D257 IonicContact NE-OD2 2.66Å; R253-D257 PolarHBondContact NE-OD2 3.48Å; R253-D257 PolarHBondContact O-N 2.93Å; L255-D257 VanDerWaalsContact C-N 3.35Å; D257-P261 WeakPolarHBondContact O-CB 3.4Å |
| 258 | V | 96.9 | Very high | 95.6 | Very high | 106 Ų | 106 | 62 Ų | 62 | 64% | 0.642 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -86.5 | -49.5 | 178.2 | 171.6 | 0 | 0 | 0 | 0 | 112.6 | P254 L255 L256 | P254-V258 VanDerWaalsContact O-CG2 3.31Å; P254-V258 WeakPolarHBondContact O-CG2 3.34Å; P254-V258 PolarHBondContact O-N 3.38Å; L255-V258 PolarHBondContact O-N 2.86Å; L256-V258 PolarHBondContact O-N 3.43Å |
| 259 | Y | 97.5 | Very high | 95.8 | Very high | 76 Ų | 76 | 62 Ų | 62 | 30% | 0.298 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -88.4 | -26.1 | -172 | -67.2 | -46.2 | 0 | 0 | 0 | 114 | I212 R216 L255 | I212-Y259 HydrophobicContact CG2-CD2 3.83Å; R216-Y259 HydrophobicContact CB-CD1 4.2Å; R216-Y259 HydrophobicContact CB-CG 4.15Å; R216-Y259 WeakPolarHBondContact CD-O 3.42Å; R216-Y259 HydrophobicContact CG-CD1 3.74Å; R216-Y259 HydrophobicContact CG-CE1 4.4Å; R216-Y259 HydrophobicContact CG-CG 4.1Å; R216-Y259 PolarHBondContact NH1-O 3.5Å; L255-Y259 HydrophobicContact CB-CD2 4.27Å; L255-Y259 HydrophobicContact CD2-CE2 4.08Å; L255-Y259 WeakPolarHBondContact O-CB 3.48Å; L255-Y259 WeakPolarHBondContact O-CD2 3.07Å; L255-Y259 PolarHBondContact O-N 3.5Å |
| 260 | F | 96.8 | Very high | 95.9 | Very high | 9 Ų | 9 | 60.6 Ų | 60.6 | 4% | 0.039 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -137.5 | 55.8 | -176.2 | -56.6 | -76.6 | 0 | 0 | 0 | 110.9 | I212 A215 R216 F219 L232 L256 V266 | I212-F260 HydrophobicContact CG2-CD2 4.29Å; I212-F260 HydrophobicContact CG2-CE2 3.9Å; A215-F260 HydrophobicContact CB-CZ 4.24Å; R216-F260 HydrophobicContact CB-CE2 4.38Å; R216-F260 HydrophobicContact CB-CZ 4.07Å; F219-F260 HydrophobicContact CB-CE1 4.42Å; F219-F260 HydrophobicContact CD1-CD1 4.45Å; F219-F260 AromaticContact CD1-CE1 3.84Å; F219-F260 HydrophobicContact CD1-CE1 3.84Å; F219-F260 AromaticContact CD2-CE1 3.76Å; F219-F260 HydrophobicContact CD2-CE1 3.76Å; F219-F260 HydrophobicContact CD2-CZ 4.16Å; F219-F260 HydrophobicContact CE1-CD1 4.28Å; F219-F260 AromaticContact CE1-CE1 3.9Å; F219-F260 HydrophobicContact CE1-CE1 3.9Å; F219-F260 AromaticContact CE2-CE1 3.79Å; F219-F260 HydrophobicContact CE2-CE1 3.79Å; F219-F260 HydrophobicContact CE2-CZ 4.25Å; F219-F260 AromaticContact CG-CE1 3.76Å; F219-F260 HydrophobicContact CG-CE1 3.76Å; F219-F260 HydrophobicContact CG-CZ 4.48Å; F219-F260 HydrophobicContact CZ-CD1 4.41Å; F219-F260 AromaticContact CZ-CE1 3.86Å; F219-F260 HydrophobicContact CZ-CE1 3.86Å; L232-F260 HydrophobicContact CD2-CD1 4.49Å; L232-F260 HydrophobicContact CD2-CD2 3.62Å; L232-F260 HydrophobicContact CD2-CE1 4.46Å; L232-F260 HydrophobicContact CD2-CE2 3.58Å; L232-F260 HydrophobicContact CD2-CG 4.09Å; L232-F260 HydrophobicContact CD2-CZ 4.01Å; L256-F260 HydrophobicContact CD2-CD2 4.08Å; L256-F260 CarbonylContact O-C 3.55Å; L256-F260 VanDerWaalsContact O-CA 3.26Å; L256-F260 WeakPolarHBondContact O-CA 3.13Å; L256-F260 PolarHBondContact O-N 3.24Å; L256-F260 VanDerWaalsContact O-O 3.13Å; F260-V266 HydrophobicContact CD1-CB 4.38Å; F260-V266 HydrophobicContact CD1-CG1 4.07Å; F260-V266 HydrophobicContact CD1-CG2 4.24Å |
| 261 | P | 95.6 | Very high | 96 | Very high | 42 Ų | 42 | 52.8 Ų | 52.8 | 27% | 0.273 | 28% | 0.284 | S | S | . | . | trans | -61.6 | 155.9 | -177.9 | 29.6 | -37.5 | 0 | 0 | 0 | 110.8 | D257 E263 S264 | D257-P261 WeakPolarHBondContact O-CB 3.4Å; P261-E263 WeakPolarHBondContact CB-OE2 3.23Å; P261-E263 PolarHBondContact O-N 3.21Å; P261-S264 VanDerWaalsContact O-CB 3.23Å; P261-S264 WeakPolarHBondContact O-CB 3.47Å; P261-S264 PolarHBondContact O-N 3.47Å; P261-S264 PolarHBondContact O-OG 3.35Å | ||
| 262 | K | 91.6 | Very high | 96.1 | Very high | 162 Ų | 162 | 51.6 Ų | 51.6 | 70% | 0.704 | 28% | 0.277 | S | S | * | . | G | 310 helix | trans | -55.3 | -32.9 | -175.3 | -71.1 | -175 | 177.3 | -177.4 | 0 | 113.1 | S264 G265 | K262-S264 PolarHBondContact O-N 3.28Å; K262-G265 PolarHBondContact O-N 3.45Å |
| 263 | E | 93.2 | Very high | 96 | Very high | 169 Ų | 169 | 51.7 Ų | 51.7 | 79% | 0.79 | 28% | 0.278 | S | S | * | . | G | 310 helix | trans | -66.6 | -20.5 | 179 | -59.4 | 73.8 | -161.1 | 0 | 0 | 112.8 | P261 G265 | P261-E263 WeakPolarHBondContact CB-OE2 3.23Å; P261-E263 PolarHBondContact O-N 3.21Å; E263-G265 PolarHBondContact O-N 3.33Å |
| 264 | S | 93.4 | Very high | 95.9 | Very high | 52 Ų | 52 | 49.4 Ų | 49.4 | 36% | 0.364 | 27% | 0.273 | S | S | . | . | G | 310 helix | trans | -69.4 | -17.1 | 175.2 | 70.9 | 0 | 0 | 0 | 0 | 113.1 | P261 K262 V266 | P261-S264 VanDerWaalsContact O-CB 3.23Å; P261-S264 WeakPolarHBondContact O-CB 3.47Å; P261-S264 PolarHBondContact O-N 3.47Å; P261-S264 PolarHBondContact O-OG 3.35Å; K262-S264 PolarHBondContact O-N 3.28Å; S264-V266 PolarHBondContact O-N 3.25Å; S264-V266 WeakPolarHBondContact OG-CG2 3.44Å; S264-V266 PolarHBondContact OG-N 2.84Å |
| 265 | G | 94.8 | Very high | 95.9 | Very high | 46 Ų | 46 | 45.9 Ų | 45.9 | 47% | 0.474 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.5 | 13.8 | -177 | 0 | 0 | 0 | 0 | 0 | 114.3 | K262 E263 | K262-G265 PolarHBondContact O-N 3.45Å; E263-G265 PolarHBondContact O-N 3.33Å |
| 266 | V | 97.6 | Very high | 95.9 | Very high | 19 Ų | 19 | 44.4 Ų | 44.4 | 12% | 0.115 | 24% | 0.243 | C | C | . | . | P | Polyproline II helix | trans | -79.6 | 123.2 | 176.4 | 179.3 | 0 | 0 | 0 | 0 | 110.1 | F219 L232 F260 S264 | F219-V266 HydrophobicContact CD1-CG2 4.39Å; F219-V266 HydrophobicContact CE1-CG1 3.97Å; F219-V266 HydrophobicContact CE1-CG2 3.67Å; F219-V266 HydrophobicContact CZ-CG1 3.98Å; F219-V266 HydrophobicContact CZ-CG2 4.5Å; L232-V266 HydrophobicContact CB-CG1 4.05Å; F260-V266 HydrophobicContact CD1-CB 4.38Å; F260-V266 HydrophobicContact CD1-CG1 4.07Å; F260-V266 HydrophobicContact CD1-CG2 4.24Å; S264-V266 PolarHBondContact O-N 3.25Å; S264-V266 WeakPolarHBondContact OG-CG2 3.44Å; S264-V266 PolarHBondContact OG-N 2.84Å |
| 267 | N | 96.9 | Very high | 95.9 | Very high | 96 Ų | 96 | 44 Ų | 44 | 51% | 0.513 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 117.3 | 172 | -62.8 | -56.8 | 0 | 0 | 0 | 109.3 | N230 M231 L232 | N230-N267 PolarHBondContact O-N 3.08Å; M231-N267 WeakPolarHBondContact CA-O 3.15Å; L232-N267 PolarHBondContact N-O 3.14Å |
| 268 | V | 98.1 | Very high | 95.7 | Very high | 15 Ų | 15 | 41.4 Ų | 41.4 | 9% | 0.091 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 128.4 | 174 | -168.9 | 0 | 0 | 0 | 0 | 108.7 | I62 K63 L232 I234 L256 | I62-V268 WeakPolarHBondContact CA-O 3.48Å; I62-V268 HydrophobicContact CD1-CG1 4.42Å; I62-V268 HydrophobicContact CG1-CB 4.36Å; I62-V268 HydrophobicContact CG1-CG1 4.08Å; I62-V268 HydrophobicContact CG2-CG1 4.19Å; K63-V268 PolarHBondContact N-O 2.86Å; L232-V268 HydrophobicContact CD2-CG1 4.46Å; L232-V268 CarbonylContact O-C 3.55Å; L232-V268 WeakPolarHBondContact O-CA 3.07Å; I234-V268 HydrophobicContact CG2-CG1 3.94Å; L256-V268 HydrophobicContact CD1-CG1 4.13Å; L256-V268 HydrophobicContact CD2-CG1 4.28Å; L256-V268 HydrophobicContact CD2-CG2 4.28Å |
| 269 | I | 98.5 | Very high | 95.6 | Very high | 4 Ų | 4 | 37.9 Ų | 37.9 | 2% | 0.021 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 161.6 | 177.2 | 71.7 | 171.9 | 0 | 0 | 0 | 109.8 | K63 F65 I109 M231 L232 D233 I234 | K63-I269 HydrophobicContact CB-CG2 4.33Å; K63-I269 CarbonylContact O-C 3.6Å; K63-I269 WeakPolarHBondContact O-CA 3.41Å; K63-I269 WeakPolarHBondContact O-CB 3.14Å; F65-I269 HydrophobicContact CD2-CB 3.97Å; F65-I269 HydrophobicContact CD2-CD1 4.14Å; F65-I269 HydrophobicContact CD2-CG2 4.13Å; F65-I269 HydrophobicContact CE2-CB 4.13Å; F65-I269 HydrophobicContact CE2-CD1 4.3Å; F65-I269 HydrophobicContact CE2-CG2 3.76Å; I109-I269 HydrophobicContact CD1-CD1 3.15Å; M231-I269 HydrophobicContact CG-CD1 4.25Å; M231-I269 HydrophobicContact CG-CG1 4.5Å; M231-I269 HydrophobicContact SD-CD1 3.97Å; L232-I269 PolarHBondContact O-N 3.08Å; D233-I269 WeakPolarHBondContact CA-O 3.45Å; D233-I269 HydrophobicContact CB-CD1 3.91Å; D233-I269 HydrophobicContact CB-CG1 3.62Å; I234-I269 WeakPolarHBondContact CG1-O 3.31Å; I234-I269 PolarHBondContact N-O 3.33Å |
| 270 | A | 98.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 163.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | W55 I62 K63 P64 F65 I234 F238 P272 | W55-A270 HydrophobicContact CH2-CB 3.59Å; W55-A270 HydrophobicContact CZ2-CB 3.65Å; I62-A270 HydrophobicContact CG2-CB 3.72Å; K63-A270 PolarHBondContact O-N 3.4Å; P64-A270 CarbonylContact C-O 3.5Å; F65-A270 PolarHBondContact N-O 3.38Å; I234-A270 HydrophobicContact CD1-CB 4.1Å; I234-A270 HydrophobicContact CG1-CB 3.68Å; F238-A270 HydrophobicContact CE2-CB 3.99Å; F238-A270 HydrophobicContact CZ-CB 4.45Å; A270-P272 WeakPolarHBondContact O-CD 3.4Å |
| 271 | E | 97.8 | Very high | 95.5 | Very high | 15 Ų | 15 | 34 Ų | 34 | 7% | 0.07 | 19% | 0.194 | C | C | . | . | trans | -115 | 54.5 | -179.8 | -67.8 | -175.3 | 172.8 | 0 | 0 | 113.6 | F65 P67 A88 T111 K195 G235 G236 G273 | F65-E271 VanDerWaalsContact O-CA 3.25Å; F65-E271 WeakPolarHBondContact O-CA 3.39Å; P67-E271 HydrophobicContact CG-CB 3.99Å; P67-E271 VanDerWaalsContact CG-O 3.24Å; P67-E271 WeakPolarHBondContact CG-O 3.47Å; A88-E271 HydrophobicContact CB-CG 4.18Å; T111-E271 WeakPolarHBondContact CG2-OE1 3.43Å; K195-E271 IonicContact NZ-OE1 2.68Å; K195-E271 PolarHBondContact NZ-OE1 3.34Å; K195-E271 IonicContact NZ-OE2 2.68Å; K195-E271 PolarHBondContact NZ-OE2 3.23Å; G235-E271 PolarHBondContact O-N 2.92Å; G236-E271 WeakPolarHBondContact CA-O 3.47Å; E271-G273 PolarHBondContact O-N 3.06Å; E271-G273 VanDerWaalsContact O-N 3.13Å | ||
| 272 | P | 96.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | trans | -68.2 | 110.9 | -177.9 | 29.5 | -35.6 | 0 | 0 | 0 | 111.4 | W55 P64 P67 F238 A270 Y275 Y276 | W55-P272 HydrophobicContact CE3-CB 4.33Å; W55-P272 HydrophobicContact CE3-CG 4.27Å; W55-P272 HydrophobicContact CH2-CB 4.24Å; W55-P272 HydrophobicContact CH2-CG 4Å; W55-P272 HydrophobicContact CZ2-CG 4.39Å; W55-P272 HydrophobicContact CZ3-CB 3.83Å; W55-P272 HydrophobicContact CZ3-CG 3.93Å; P64-P272 HydrophobicContact CB-CG 3.66Å; P67-P272 WeakPolarHBondContact CD-O 3.5Å; F238-P272 HydrophobicContact CD2-CB 3.97Å; A270-P272 WeakPolarHBondContact O-CD 3.4Å; P272-Y275 HydrophobicContact CB-CD1 4.09Å; P272-Y275 HydrophobicContact CB-CG 4.15Å; P272-Y276 HydrophobicContact CB-CD2 4.34Å; P272-Y276 HydrophobicContact CB-CE2 4.21Å; P272-Y276 HydrophobicContact CG-CD2 4.22Å; P272-Y276 HydrophobicContact CG-CE2 3.7Å; P272-Y276 WeakPolarHBondContact O-CD2 3.42Å | ||
| 273 | G | 93.8 | Very high | 95.8 | Very high | 3 Ų | 3 | 24.4 Ų | 24.4 | 3% | 0.031 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -100.3 | -80.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | E271 Y275 Y276 | E271-G273 PolarHBondContact O-N 3.06Å; E271-G273 VanDerWaalsContact O-N 3.13Å; G273-Y275 PolarHBondContact O-N 2.74Å; G273-Y275 VanDerWaalsContact O-N 3.11Å; G273-Y276 PolarHBondContact O-N 3.37Å |
| 274 | C | 91.6 | Very high | 95.9 | Very high | 28 Ų | 28 | 16.5 Ų | 16.5 | 19% | 0.189 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -55.1 | -30.5 | 179.3 | 56.6 | 0 | 0 | 0 | 0 | 112.6 | F238 Y276 V277 S278 S387 | F238-C274 PolarHBondContact O-SG 2.88Å; C274-Y276 VanDerWaalsContact C-N 3.28Å; C274-Y276 PolarHBondContact O-N 3.02Å; C274-V277 PolarHBondContact O-N 2.91Å; C274-S278 WeakPolarHBondContact O-CB 3.4Å; C274-S278 PolarHBondContact O-N 3.39Å; C274-S387 WeakPolarHBondContact CB-OG 3.47Å |
| 275 | Y | 96.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -44.6 | -47.8 | 171.3 | 176.6 | -95.9 | 0 | 0 | 0 | 114.3 | K51 W55 F238 L245 P272 G273 | K51-Y275 HydrophobicContact CB-CD1 4.49Å; K51-Y275 HydrophobicContact CB-CE1 3.89Å; K51-Y275 HydrophobicContact CD-CE1 4.14Å; K51-Y275 HydrophobicContact CD-CE2 4.24Å; K51-Y275 WeakPolarHBondContact CD-O 3.37Å; K51-Y275 WeakPolarHBondContact O-CE1 3.37Å; K51-Y275 PolarHBondContact O-OH 3.26Å; W55-Y275 HydrophobicContact CB-CE1 4.11Å; W55-Y275 HydrophobicContact CE3-CD1 4.24Å; W55-Y275 AromaticContact CE3-CE1 3.91Å; W55-Y275 HydrophobicContact CE3-CE1 3.91Å; W55-Y275 PolarHBondContact N-OH 3.2Å; F238-Y275 HydrophobicContact CB-CD2 4.02Å; F238-Y275 HydrophobicContact CB-CG 4.23Å; F238-Y275 PolarHBondContact O-N 3.47Å; L245-Y275 HydrophobicContact CD1-CE2 4.14Å; L245-Y275 HydrophobicContact CD2-CE2 3.93Å; L245-Y275 HydrophobicContact CG-CE2 4.47Å; P272-Y275 HydrophobicContact CB-CD1 4.09Å; P272-Y275 HydrophobicContact CB-CG 4.15Å; G273-Y275 PolarHBondContact O-N 2.74Å; G273-Y275 VanDerWaalsContact O-N 3.11Å |
| 276 | Y | 96.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -78 | -46.6 | -176.4 | -83.9 | -69 | 0 | 0 | 0 | 112.1 | L48 K51 N52 P64 Y66 L80 I85 P272 G273 C274 | L48-Y276 VanDerWaalsContact CD2-O 3.23Å; L48-Y276 WeakPolarHBondContact CD2-O 3.39Å; K51-Y276 HydrophobicContact CB-CD1 3.74Å; K51-Y276 HydrophobicContact CB-CE1 4.02Å; N52-Y276 HydrophobicContact CB-CE1 3.88Å; N52-Y276 PolarHBondContact OD1-OH 3.3Å; P64-Y276 HydrophobicContact CB-CE2 4.24Å; Y66-Y276 HydrophobicContact CD2-CD2 4.1Å; L80-Y276 HydrophobicContact CD2-CD1 3.78Å; L80-Y276 HydrophobicContact CD2-CE1 4.15Å; L80-Y276 HydrophobicContact CD2-CG 4.05Å; I85-Y276 HydrophobicContact CD1-CE1 3.84Å; I85-Y276 HydrophobicContact CD1-CE2 4.12Å; I85-Y276 WeakPolarHBondContact CD1-OH 3.3Å; P272-Y276 HydrophobicContact CB-CD2 4.34Å; P272-Y276 HydrophobicContact CB-CE2 4.21Å; P272-Y276 HydrophobicContact CG-CD2 4.22Å; P272-Y276 HydrophobicContact CG-CE2 3.7Å; P272-Y276 WeakPolarHBondContact O-CD2 3.42Å; G273-Y276 PolarHBondContact O-N 3.37Å; C274-Y276 VanDerWaalsContact C-N 3.28Å; C274-Y276 PolarHBondContact O-N 3.02Å |
| 277 | V | 95.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -105.2 | -22.8 | -160.6 | -64.5 | 0 | 0 | 0 | 0 | 114.2 | L48 Y66 C70 N71 V76 C274 S279 A280 G386 | L48-V277 HydrophobicContact CD2-CG1 3.96Å; Y66-V277 HydrophobicContact CE2-CG1 3.97Å; Y66-V277 HydrophobicContact CE2-CG2 4.39Å; Y66-V277 WeakPolarHBondContact OH-CG1 3.43Å; C70-V277 HydrophobicContact CB-CG2 4.32Å; N71-V277 HydrophobicContact CB-CB 4.24Å; N71-V277 HydrophobicContact CB-CG1 4.14Å; N71-V277 HydrophobicContact CB-CG2 4.02Å; V76-V277 HydrophobicContact CG1-CG1 3.69Å; V76-V277 HydrophobicContact CG2-CG1 4.48Å; C274-V277 PolarHBondContact O-N 2.91Å; V277-S279 PolarHBondContact O-N 3.45Å; V277-A280 WeakPolarHBondContact O-CB 3.45Å; V277-A280 PolarHBondContact O-N 3.48Å; V277-A280 VanDerWaalsContact O-N 3.08Å; V277-G386 WeakPolarHBondContact CG2-O 3.4Å; V277-G386 WeakPolarHBondContact O-CA 3.42Å |
| 278 | S | 93.1 | Very high | 96.1 | Very high | 28 Ų | 28 | 10.3 Ų | 10.3 | 20% | 0.196 | 6% | 0.062 | C | C | . | . | G | 310 helix | trans | -52.4 | -60.4 | -169.6 | -176.2 | 0 | 0 | 0 | 0 | 111.8 | C274 A280 N384 M385 G386 | C274-S278 WeakPolarHBondContact O-CB 3.4Å; C274-S278 PolarHBondContact O-N 3.39Å; S278-A280 VanDerWaalsContact C-N 3.27Å; S278-A280 PolarHBondContact O-N 3.09Å; S278-N384 CarbonylContact O-C 3.6Å; S278-N384 WeakPolarHBondContact O-CA 3.32Å; S278-N384 PolarHBondContact OG-O 3.29Å; S278-M385 PolarHBondContact O-N 2.94Å; S278-G386 PolarHBondContact O-N 2.92Å; S278-G386 VanDerWaalsContact O-N 3.09Å |
| 279 | S | 94.4 | Very high | 96 | Very high | 31 Ų | 31 | 11.5 Ų | 11.5 | 22% | 0.217 | 7% | 0.073 | C | C | . | . | G | 310 helix | trans | -80.7 | 0.1 | -178.7 | 64.1 | 0 | 0 | 0 | 0 | 115.1 | K47 V277 N384 | K47-S279 VanDerWaalsContact CD-O 3.29Å; K47-S279 WeakPolarHBondContact CD-O 3.39Å; K47-S279 PolarHBondContact NZ-O 3.37Å; V277-S279 PolarHBondContact O-N 3.45Å; S279-N384 VanDerWaalsContact CA-OD1 3.3Å; S279-N384 WeakPolarHBondContact CA-OD1 3.29Å; S279-N384 WeakPolarHBondContact CB-OD1 3.34Å |
| 280 | A | 95.7 | Very high | 95.9 | Very high | 2 Ų | 2 | 13.9 Ų | 13.9 | 2% | 0.017 | 8% | 0.084 | C | C | . | . | G | 310 helix | trans | -82.6 | -16.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | G43 D44 K47 L48 V277 S278 | G43-A280 CarbonylContact C-O 3.55Å; G43-A280 WeakPolarHBondContact CA-O 3.03Å; D44-A280 PolarHBondContact N-O 3.44Å; K47-A280 HydrophobicContact CB-CB 4.18Å; L48-A280 HydrophobicContact CD2-CB 3.86Å; V277-A280 WeakPolarHBondContact O-CB 3.45Å; V277-A280 PolarHBondContact O-N 3.48Å; V277-A280 VanDerWaalsContact O-N 3.08Å; S278-A280 VanDerWaalsContact C-N 3.27Å; S278-A280 PolarHBondContact O-N 3.09Å |
| 281 | F | 95.8 | Very high | 95.6 | Very high | 1 Ų | 1 | 19.3 Ų | 19.3 | 0% | 0.004 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 136.1 | -178 | -67.6 | -101.3 | 0 | 0 | 0 | 112 | Y41 V42 N71 V76 N384 M385 L390 I404 Y406 | Y41-F281 HydrophobicContact CD1-CB 4.03Å; Y41-F281 HydrophobicContact CD1-CD1 4.23Å; Y41-F281 HydrophobicContact CE1-CB 4.37Å; V42-F281 WeakPolarHBondContact O-CA 3.49Å; N71-F281 WeakPolarHBondContact ND2-CE2 3.44Å; V76-F281 HydrophobicContact CG2-CE2 3.82Å; V76-F281 HydrophobicContact CG2-CZ 3.61Å; F281-N384 PolarHBondContact O-N 3.08Å; F281-M385 PolarHBondContact O-N 3.29Å; F281-L390 HydrophobicContact CD1-CD1 4.13Å; F281-L390 HydrophobicContact CE1-CD1 4.11Å; F281-I404 HydrophobicContact CE1-CG2 4.01Å; F281-Y406 AromaticContact CE1-CE1 3.93Å; F281-Y406 HydrophobicContact CE1-CE1 3.93Å; F281-Y406 HydrophobicContact CZ-CE1 4.02Å |
| 282 | T | 96.4 | Very high | 95.2 | Very high | 4 Ų | 4 | 22.5 Ų | 22.5 | 3% | 0.025 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 134.3 | 171.8 | -62.9 | 0 | 0 | 0 | 0 | 108.6 | I25 Y41 V42 I381 F382 D383 | I25-T282 HydrophobicContact CD1-CG2 3.68Å; Y41-T282 CarbonylContact C-O 3.57Å; Y41-T282 VanDerWaalsContact CA-O 3.32Å; Y41-T282 WeakPolarHBondContact CA-O 3.39Å; V42-T282 PolarHBondContact N-O 3.29Å; V42-T282 PolarHBondContact O-N 3.22Å; T282-I381 HydrophobicContact CG2-CG2 3.29Å; T282-F382 WeakPolarHBondContact CA-O 3.4Å; T282-D383 WeakPolarHBondContact CG2-OD1 3.46Å; T282-D383 PolarHBondContact OG1-OD1 3.41Å |
| 283 | L | 96.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 128.4 | 179.3 | 174.7 | 65.3 | 0 | 0 | 0 | 109.9 | Y41 V285 F325 I381 F382 M385 P402 | Y41-L283 HydrophobicContact CD1-CB 4.04Å; Y41-L283 HydrophobicContact CD1-CD1 4.36Å; Y41-L283 HydrophobicContact CD2-CD1 4.02Å; Y41-L283 HydrophobicContact CE1-CB 3.63Å; Y41-L283 HydrophobicContact CE1-CD1 4.1Å; Y41-L283 HydrophobicContact CE1-CG 4.32Å; Y41-L283 HydrophobicContact CE2-CD1 3.72Å; Y41-L283 HydrophobicContact CG-CD1 4.33Å; L283-V285 HydrophobicContact CD1-CG1 4.17Å; L283-V285 HydrophobicContact CD2-CG1 3.79Å; L283-V285 HydrophobicContact CG-CG1 3.74Å; L283-F325 HydrophobicContact CD2-CE2 3.72Å; L283-F325 HydrophobicContact CD2-CZ 3.69Å; L283-I381 CarbonylContact O-C 3.54Å; L283-I381 WeakPolarHBondContact O-CA 2.91Å; L283-F382 HydrophobicContact CB-CB 4.32Å; L283-F382 PolarHBondContact N-O 2.9Å; L283-F382 PolarHBondContact O-N 3.11Å; L283-M385 HydrophobicContact CB-CB 3.92Å; L283-M385 HydrophobicContact CB-CG 3.98Å; L283-M385 HydrophobicContact CD2-CE 3.73Å; L283-P402 HydrophobicContact CD1-CB 4.38Å; L283-P402 HydrophobicContact CD1-CG 4.31Å |
| 284 | A | 97 | Very high | 92.9 | Very high | 2 Ų | 2 | 30.4 Ų | 30.4 | 2% | 0.017 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 127.1 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | A39 F40 W379 I381 | A39-A284 VanDerWaalsContact CA-O 3.26Å; A39-A284 WeakPolarHBondContact CA-O 3.5Å; F40-A284 HydrophobicContact CD1-CB 4.13Å; F40-A284 HydrophobicContact CD2-CB 4.33Å; F40-A284 HydrophobicContact CE1-CB 3.65Å; F40-A284 HydrophobicContact CE2-CB 3.88Å; F40-A284 HydrophobicContact CG-CB 4.44Å; F40-A284 HydrophobicContact CZ-CB 3.52Å; F40-A284 PolarHBondContact N-O 3.14Å; F40-A284 VanDerWaalsContact N-O 3.08Å; F40-A284 PolarHBondContact O-N 3.07Å; A284-W379 HydrophobicContact CB-CE3 4.11Å; A284-W379 HydrophobicContact CB-CZ3 4.29Å; A284-I381 HydrophobicContact CB-CD1 3.71Å |
| 285 | V | 96.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 154.3 | 179 | -57.1 | 0 | 0 | 0 | 0 | 111 | A39 L283 I317 D319 F325 W379 L380 F382 | A39-V285 HydrophobicContact CB-CG1 4.27Å; L283-V285 HydrophobicContact CD1-CG1 4.17Å; L283-V285 HydrophobicContact CD2-CG1 3.79Å; L283-V285 HydrophobicContact CG-CG1 3.74Å; V285-I317 HydrophobicContact CB-CB 4.35Å; V285-I317 HydrophobicContact CB-CD1 4.04Å; V285-I317 HydrophobicContact CG1-CD1 4.17Å; V285-I317 HydrophobicContact CG2-CB 4.1Å; V285-I317 HydrophobicContact CG2-CD1 3.62Å; V285-I317 HydrophobicContact CG2-CG2 3.99Å; V285-D319 HydrophobicContact CG1-CB 3.91Å; V285-F325 HydrophobicContact CG1-CE2 4.4Å; V285-W379 VanDerWaalsContact C-CE3 3.49Å; V285-W379 WeakPolarHBondContact O-CA 3.37Å; V285-W379 VanDerWaalsContact O-CE3 3.3Å; V285-L380 HydrophobicContact CG2-CB 3.87Å; V285-L380 PolarHBondContact N-O 3.09Å; V285-L380 PolarHBondContact O-N 3.19Å; V285-F382 HydrophobicContact CG2-CD2 3.99Å; V285-F382 HydrophobicContact CG2-CE2 3.55Å |
| 286 | N | 96.8 | Very high | 88.9 | Confident | 7 Ų | 7 | 41 Ų | 41 | 4% | 0.037 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 139.1 | -178.8 | -164.8 | -108.9 | 0 | 0 | 0 | 111.3 | K37 I288 I317 N318 G377 D378 W379 | K37-N286 HydrophobicContact CB-CB 4.28Å; N286-I288 PolarHBondContact O-N 3.4Å; N286-I317 VanDerWaalsContact O-CA 3.25Å; N286-I317 WeakPolarHBondContact O-CA 3.34Å; N286-N318 PolarHBondContact N-OD1 3.32Å; N286-N318 PolarHBondContact O-N 3.27Å; N286-N318 PolarHBondContact O-OD1 3.08Å; N286-G377 VanDerWaalsContact ND2-C 3.25Å; N286-G377 PolarHBondContact ND2-O 3.32Å; N286-G377 WeakPolarHBondContact OD1-CA 3.39Å; N286-D378 PolarHBondContact ND2-O 2.88Å; N286-W379 HydrophobicContact CB-CD2 4.31Å; N286-W379 HydrophobicContact CB-CE3 4.16Å; N286-W379 HydrophobicContact CB-CH2 4.29Å; N286-W379 HydrophobicContact CB-CZ2 4.43Å; N286-W379 HydrophobicContact CB-CZ3 4.15Å; N286-W379 PolarHBondContact ND2-NE1 2.8Å |
| 287 | I | 96.6 | Very high | 86.6 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 117 | 171.7 | -62.2 | 179 | 0 | 0 | 0 | 109 | Y315 Y316 I317 L374 G377 D378 L380 | I287-Y315 HydrophobicContact CD1-CD1 4.01Å; I287-Y315 HydrophobicContact CD1-CG 4.2Å; I287-Y315 HydrophobicContact CG2-CD1 4.06Å; I287-Y316 CarbonylContact C-O 3.28Å; I287-I317 HydrophobicContact CG1-CG2 4.14Å; I287-L374 HydrophobicContact CD1-CB 3.64Å; I287-L374 HydrophobicContact CD1-CD1 3.56Å; I287-L374 HydrophobicContact CD1-CG 4.23Å; I287-G377 PolarHBondContact O-N 2.69Å; I287-D378 HydrophobicContact CD1-CB 4.28Å; I287-D378 PolarHBondContact N-O 3.18Å; I287-L380 HydrophobicContact CD1-CD1 4.35Å; I287-L380 HydrophobicContact CD1-CG 4.42Å; I287-L380 HydrophobicContact CG1-CD1 4.34Å; I287-L380 HydrophobicContact CG1-CG 4.48Å |
| 288 | I | 95.9 | Very high | 84.3 | Confident | 77 Ų | 77 | 54.8 Ų | 54.8 | 40% | 0.395 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | -23.5 | -178.8 | 57.5 | 169.5 | 0 | 0 | 0 | 113.2 | N286 Y316 N318 P357 | N286-I288 PolarHBondContact O-N 3.4Å; I288-Y316 VanDerWaalsContact CG1-O 3.24Å; I288-Y316 WeakPolarHBondContact CG1-O 3.38Å; I288-Y316 PolarHBondContact N-O 3.3Å; I288-N318 HydrophobicContact CG2-CB 3.77Å; I288-P357 HydrophobicContact CD1-CB 3.97Å |
| 289 | A | 95.8 | Very high | 82 | Confident | 39 Ų | 39 | 58.2 Ų | 58.2 | 32% | 0.322 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 155.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y316 | A289-Y316 HydrophobicContact CB-CD2 3.97Å; A289-Y316 HydrophobicContact CB-CG 4.31Å; A289-Y316 PolarHBondContact N-O 2.87Å; A289-Y316 PolarHBondContact O-N 2.9Å |
| 290 | K | 95.9 | Very high | 79.5 | Confident | 54 Ų | 54 | 61.7 Ų | 61.7 | 24% | 0.235 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 137.2 | 176.6 | 176.6 | -174.8 | -176.8 | 175.5 | 0 | 108.9 | F313 T314 Y315 E373 L374 V376 | K290-F313 VanDerWaalsContact CE-CE1 3.43Å; K290-T314 CarbonylContact C-O 3.57Å; K290-T314 WeakPolarHBondContact CA-O 3.39Å; K290-Y315 HydrophobicContact CB-CD1 4.05Å; K290-Y315 HydrophobicContact CB-CE1 4.25Å; K290-Y315 HydrophobicContact CD-CD1 4.39Å; K290-Y315 HydrophobicContact CD-CE1 3.75Å; K290-Y315 HydrophobicContact CG-CD1 3.89Å; K290-Y315 HydrophobicContact CG-CE1 3.66Å; K290-E373 VanDerWaalsContact NZ-CD 3.33Å; K290-E373 IonicContact NZ-OE1 2.66Å; K290-E373 PolarHBondContact NZ-OE1 3.31Å; K290-L374 WeakPolarHBondContact CD-O 3.42Å; K290-L374 WeakPolarHBondContact CE-O 3.37Å; K290-L374 PolarHBondContact NZ-O 2.88Å; K290-V376 HydrophobicContact CB-CG2 4.33Å |
| 291 | K | 92.6 | Very high | 76.9 | Confident | 115 Ų | 115 | 68.1 Ų | 68.1 | 50% | 0.5 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 137.6 | 167 | -64.6 | 178.3 | -176.1 | 165.9 | 0 | 108.8 | T314 Y316 | K291-T314 PolarHBondContact N-O 2.79Å; K291-T314 PolarHBondContact O-N 3.03Å; K291-Y316 HydrophobicContact CD-CE2 3.82Å; K291-Y316 HydrophobicContact CG-CE2 4.08Å; K291-Y316 PolarHBondContact NZ-OH 2.92Å |
| 292 | T | 90.5 | Very high | 74.6 | Confident | 81 Ų | 81 | 71.9 Ų | 71.9 | 50% | 0.497 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 122.5 | 170.4 | -51.1 | 0 | 0 | 0 | 0 | 107.2 | P311 F313 | T292-P311 HydrophobicContact CG2-CB 4.02Å; T292-F313 HydrophobicContact CG2-CD1 4.1Å; T292-F313 HydrophobicContact CG2-CE1 3.73Å; T292-F313 WeakPolarHBondContact OG1-CE1 3.23Å |
| 293 | V | 77.5 | Confident | 72.1 | Confident | 44 Ų | 44 | 76.5 Ų | 76.5 | 27% | 0.267 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 113.2 | 173.6 | -174.4 | 0 | 0 | 0 | 0 | 107.6 | Y295 L298 V312 | V293-Y295 PolarHBondContact O-N 2.8Å; V293-L298 HydrophobicContact CG1-CD1 3.7Å; V293-L298 HydrophobicContact CG1-CG 4.05Å; V293-V312 PolarHBondContact N-O 3.12Å; V293-V312 PolarHBondContact O-N 2.91Å |
| 294 | E | 64.1 | Low | 69.6 | Low | 125 Ų | 125 | 84.9 Ų | 84.9 | 58% | 0.584 | 47% | 0.467 | S | S | * | . | trans | -70.1 | 123.6 | 166.8 | -68.5 | 172.1 | 162.5 | 0 | 0 | 108 | D296 K297 | E294-D296 PolarHBondContact O-N 3.17Å; E294-K297 PolarHBondContact O-N 2.77Å; E294-K297 IonicContact OE2-NZ 3.41Å; E294-K297 PolarHBondContact OE2-NZ 2.9Å | ||
| 295 | Y | 53.2 | Low | 67.2 | Low | 124 Ų | 124 | 92.8 Ų | 92.8 | 49% | 0.486 | 50% | 0.503 | S | S | . | . | G | 310 helix | trans | -53.8 | -28 | -173.8 | -124.8 | -83.8 | 0 | 0 | 0 | 113.4 | V293 K297 L298 V312 | V293-Y295 PolarHBondContact O-N 2.8Å; Y295-K297 PolarHBondContact O-N 3.11Å; Y295-L298 PolarHBondContact O-N 3Å; Y295-V312 HydrophobicContact CD2-CG2 3.66Å; Y295-V312 HydrophobicContact CE2-CG2 3.36Å |
| 296 | D | 49.8 | Very low | 64.9 | Low | 127 Ų | 127 | 98.4 Ų | 98.4 | 68% | 0.679 | 54% | 0.538 | S | S | * | . | G | 310 helix | trans | -62.1 | -12.7 | -177.4 | -95.5 | -16.2 | 0 | 0 | 0 | 115.6 | E294 | E294-D296 PolarHBondContact O-N 3.17Š|
| 297 | K | 48.5 | Very low | 62.6 | Low | 162 Ų | 162 | 109.1 Ų | 109.1 | 70% | 0.704 | 58% | 0.578 | S | S | * | * | G | 310 helix | trans | -103.8 | -2.5 | -176 | -70.7 | 175.4 | -175.5 | 149.4 | 0 | 115.3 | E294 Y295 | E294-K297 PolarHBondContact O-N 2.77Å; E294-K297 IonicContact OE2-NZ 3.41Å; E294-K297 PolarHBondContact OE2-NZ 2.9Å; Y295-K297 PolarHBondContact O-N 3.11Å |
| 298 | L | 49 | Very low | 60.4 | Low | 128 Ų | 128 | 114.3 Ų | 114.3 | 67% | 0.67 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -101.8 | -7.1 | -176.2 | -70.6 | 173.7 | 0 | 0 | 0 | 114.6 | V293 Y295 | V293-L298 HydrophobicContact CG1-CD1 3.7Å; V293-L298 HydrophobicContact CG1-CG 4.05Å; Y295-L298 PolarHBondContact O-N 3Å |
| 299 | L | 43.2 | Very low | 58.9 | Low | 99 Ų | 99 | 118.3 Ų | 118.3 | 52% | 0.518 | 63% | 0.628 | S | S | . | * | S | Bend | trans | -96.3 | 133.4 | 179.4 | -70.4 | 168.5 | 0 | 0 | 0 | 111.5 | S301 | L299-S301 PolarHBondContact O-N 3.36Š|
| 300 | P | 43 | Very low | 57.9 | Low | 105 Ų | 105 | 121.4 Ų | 121.4 | 68% | 0.682 | 64% | 0.636 | S | S | * | * | trans | -55.8 | 133.2 | 162.5 | -17.9 | 29.1 | 0 | 0 | 0 | 109.3 | G302 | P300-G302 PolarHBondContact O-N 3.16Š| ||
| 301 | S | 40.3 | Very low | 57.3 | Low | 136 Ų | 136 | 120.9 Ų | 120.9 | 95% | 0.951 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -49.4 | 110.1 | -177.4 | -48.8 | 0 | 0 | 0 | 0 | 111.9 | L299 | L299-S301 PolarHBondContact O-N 3.36Š|
| 302 | G | 48 | Very low | 57.1 | Low | 80 Ų | 80 | 117.1 Ų | 117.1 | 83% | 0.825 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 131 | 11.2 | 167.4 | 0 | 0 | 0 | 0 | 0 | 118.8 | P300 | P300-G302 PolarHBondContact O-N 3.16Š|
| 303 | V | 44.6 | Very low | 57.3 | Low | 101 Ų | 101 | 113.4 Ų | 113.4 | 61% | 0.612 | 60% | 0.601 | S | S | * | * | trans | -99.1 | 127 | 173.5 | -170 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 304 | E | 42.8 | Very low | 58.1 | Low | 177 Ų | 177 | 112.1 Ų | 112.1 | 83% | 0.827 | 59% | 0.593 | S | S | * | * | trans | -57 | 134.9 | -177.9 | -73.9 | -177.2 | 155 | 0 | 0 | 113.2 | T306 | E304-T306 PolarHBondContact O-N 3.06Š| ||
| 305 | Q | 46 | Very low | 59.6 | Low | 167 Ų | 167 | 106.1 Ų | 106.1 | 78% | 0.78 | 57% | 0.566 | S | S | * | * | trans | -64.9 | 95.1 | 179.9 | -74.6 | 159.2 | -12 | 0 | 0 | 111.4 | ||||
| 306 | T | 49 | Very low | 61.7 | Low | 118 Ų | 118 | 102.1 Ų | 102.1 | 72% | 0.724 | 55% | 0.55 | S | S | * | . | trans | -140 | 82.7 | 166 | 52.4 | 0 | 0 | 0 | 0 | 110.9 | E304 | E304-T306 PolarHBondContact O-N 3.06Š| ||
| 307 | R | 48.3 | Very low | 63.8 | Low | 233 Ų | 233 | 96 Ų | 96 | 88% | 0.879 | 52% | 0.517 | S | S | * | . | S | Bend | trans | 158.7 | 118.7 | 143.8 | -86.5 | 162.9 | -177.1 | -158.4 | 0.2 | 111.7 | ||
| 308 | N | 51.3 | Low | 66 | Low | 108 Ų | 108 | 89.9 Ų | 89.9 | 58% | 0.578 | 49% | 0.492 | S | S | * | . | trans | 40.8 | 111.8 | 169.2 | -71.5 | 15.1 | 0 | 0 | 0 | 120.2 | E310 | N308-E310 HydrophobicContact CB-CB 4.43Å; N308-E310 HydrophobicContact CB-CG 4.33Å; N308-E310 PolarHBondContact ND2-OE2 3.26Å; N308-E310 PolarHBondContact O-N 3.31Å | ||
| 309 | D | 63.6 | Low | 68.1 | Low | 161 Ų | 161 | 83.8 Ų | 83.8 | 86% | 0.861 | 46% | 0.46 | S | S | * | . | trans | -69.4 | 20.3 | 166.4 | -63.8 | -35.4 | 0 | 0 | 0 | 113.9 | ||||
| 310 | E | 74.5 | Confident | 70.4 | Confident | 104 Ų | 104 | 79.1 Ų | 79.1 | 49% | 0.486 | 44% | 0.436 | S | S | . | . | P | Polyproline II helix | trans | -79.8 | 137.3 | -175.9 | -70.9 | 174.6 | 155.1 | 0 | 0 | 110.7 | N308 | N308-E310 HydrophobicContact CB-CB 4.43Å; N308-E310 HydrophobicContact CB-CG 4.33Å; N308-E310 PolarHBondContact ND2-OE2 3.26Å; N308-E310 PolarHBondContact O-N 3.31Å |
| 311 | P | 83.3 | Confident | 72.6 | Confident | 44 Ų | 44 | 74.2 Ų | 74.2 | 29% | 0.286 | 40% | 0.404 | S | S | . | . | P | Polyproline II helix | trans | -64.8 | 140.9 | -179.5 | 26.8 | -33.9 | 0 | 0 | 0 | 111.3 | T292 F313 F350 | T292-P311 HydrophobicContact CG2-CB 4.02Å; P311-F313 HydrophobicContact CB-CE1 4.39Å; P311-F313 HydrophobicContact CB-CE2 4.42Å; P311-F313 HydrophobicContact CB-CZ 4.04Å; P311-F313 HydrophobicContact CG-CE2 4.17Å; P311-F313 HydrophobicContact CG-CZ 3.96Å; P311-F350 HydrophobicContact CG-CD1 3.72Å; P311-F350 HydrophobicContact CG-CE1 3.65Å |
| 312 | V | 89 | Confident | 74.9 | Confident | 35 Ų | 35 | 70.8 Ų | 70.8 | 21% | 0.212 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 133 | 170.6 | 179.2 | 0 | 0 | 0 | 0 | 108.9 | V293 Y295 A351 | V293-V312 PolarHBondContact N-O 3.12Å; V293-V312 PolarHBondContact O-N 2.91Å; Y295-V312 HydrophobicContact CD2-CG2 3.66Å; Y295-V312 HydrophobicContact CE2-CG2 3.36Å; V312-A351 WeakPolarHBondContact CA-O 3.48Å; V312-A351 WeakPolarHBondContact CG1-O 3.22Å; V312-A351 HydrophobicContact CG2-CB 4.4Å |
| 313 | F | 93.7 | Very high | 76.9 | Confident | 3 Ų | 3 | 67.5 Ų | 67.5 | 1% | 0.013 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 140 | -179.7 | -61.9 | -65.9 | 0 | 0 | 0 | 112.4 | K290 T292 P311 Y315 F350 A351 S352 S353 E373 | K290-F313 VanDerWaalsContact CE-CE1 3.43Å; T292-F313 HydrophobicContact CG2-CD1 4.1Å; T292-F313 HydrophobicContact CG2-CE1 3.73Å; T292-F313 WeakPolarHBondContact OG1-CE1 3.23Å; P311-F313 HydrophobicContact CB-CE1 4.39Å; P311-F313 HydrophobicContact CB-CE2 4.42Å; P311-F313 HydrophobicContact CB-CZ 4.04Å; P311-F313 HydrophobicContact CG-CE2 4.17Å; P311-F313 HydrophobicContact CG-CZ 3.96Å; F313-Y315 HydrophobicContact CB-CD2 4.38Å; F313-Y315 HydrophobicContact CB-CE1 4.31Å; F313-Y315 HydrophobicContact CB-CE2 3.64Å; F313-Y315 HydrophobicContact CG-CE2 4.48Å; F313-F350 HydrophobicContact CD2-CB 3.68Å; F313-F350 HydrophobicContact CD2-CD2 4.27Å; F313-F350 HydrophobicContact CD2-CG 4Å; F313-F350 HydrophobicContact CE2-CB 3.79Å; F313-F350 HydrophobicContact CE2-CD1 4.05Å; F313-F350 AromaticContact CE2-CD2 3.67Å; F313-F350 HydrophobicContact CE2-CD2 3.67Å; F313-F350 HydrophobicContact CE2-CE2 4.22Å; F313-F350 AromaticContact CE2-CG 3.56Å; F313-F350 HydrophobicContact CE2-CG 3.56Å; F313-A351 PolarHBondContact N-O 2.93Å; F313-A351 VanDerWaalsContact N-O 3.1Å; F313-S352 CarbonylContact O-C 3.56Å; F313-S352 WeakPolarHBondContact O-CA 3.42Å; F313-S353 PolarHBondContact O-N 3.41Å; F313-E373 HydrophobicContact CE1-CG 4.28Å; F313-E373 HydrophobicContact CE2-CB 4.09Å; F313-E373 HydrophobicContact CE2-CG 3.92Å; F313-E373 HydrophobicContact CZ-CB 4.29Å; F313-E373 HydrophobicContact CZ-CG 3.69Å |
| 314 | T | 94.7 | Very high | 79.1 | Confident | 17 Ų | 17 | 62.8 Ų | 62.8 | 10% | 0.104 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 117.8 | 168.4 | -58.7 | 0 | 0 | 0 | 0 | 108.1 | K290 K291 Y316 S353 W355 | K290-T314 CarbonylContact C-O 3.57Å; K290-T314 WeakPolarHBondContact CA-O 3.39Å; K291-T314 PolarHBondContact N-O 2.79Å; K291-T314 PolarHBondContact O-N 3.03Å; T314-Y316 HydrophobicContact CG2-CD2 4.48Å; T314-Y316 HydrophobicContact CG2-CE2 3.82Å; T314-S353 PolarHBondContact OG1-OG 2.68Å; T314-W355 HydrophobicContact CG2-CG 4.24Å |
| 315 | Y | 96.3 | Very high | 81.4 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 134.9 | 176.4 | -55.6 | -74.7 | 0 | 0 | 0 | 110.2 | I287 K290 F313 S353 L354 W355 L371 L374 | I287-Y315 HydrophobicContact CD1-CD1 4.01Å; I287-Y315 HydrophobicContact CD1-CG 4.2Å; I287-Y315 HydrophobicContact CG2-CD1 4.06Å; K290-Y315 HydrophobicContact CB-CD1 4.05Å; K290-Y315 HydrophobicContact CB-CE1 4.25Å; K290-Y315 HydrophobicContact CD-CD1 4.39Å; K290-Y315 HydrophobicContact CD-CE1 3.75Å; K290-Y315 HydrophobicContact CG-CD1 3.89Å; K290-Y315 HydrophobicContact CG-CE1 3.66Å; F313-Y315 HydrophobicContact CB-CD2 4.38Å; F313-Y315 HydrophobicContact CB-CE1 4.31Å; F313-Y315 HydrophobicContact CB-CE2 3.64Å; F313-Y315 HydrophobicContact CG-CE2 4.48Å; Y315-S353 PolarHBondContact N-O 3.38Å; Y315-L354 HydrophobicContact CD2-CD2 4Å; Y315-L354 HydrophobicContact CG-CD2 4.34Å; Y315-L354 WeakPolarHBondContact O-CA 3.45Å; Y315-W355 PolarHBondContact O-N 3.44Å; Y315-L371 HydrophobicContact CD2-CD1 4.36Å; Y315-L371 HydrophobicContact CE2-CD1 4.34Å; Y315-L374 HydrophobicContact CD1-CB 4.42Å; Y315-L374 HydrophobicContact CE1-CB 3.74Å; Y315-L374 HydrophobicContact CE2-CD1 4.46Å; Y315-L374 PolarHBondContact OH-N 2.92Å |
| 316 | Y | 95.9 | Very high | 83.3 | Confident | 39 Ų | 39 | 48.3 Ų | 48.3 | 15% | 0.153 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 129 | 171.3 | -62.2 | -95.9 | 0 | 0 | 0 | 108.2 | I287 I288 A289 K291 T314 W355 | I287-Y316 CarbonylContact C-O 3.28Å; I288-Y316 VanDerWaalsContact CG1-O 3.24Å; I288-Y316 WeakPolarHBondContact CG1-O 3.38Å; I288-Y316 PolarHBondContact N-O 3.3Å; A289-Y316 HydrophobicContact CB-CD2 3.97Å; A289-Y316 HydrophobicContact CB-CG 4.31Å; A289-Y316 PolarHBondContact N-O 2.87Å; A289-Y316 PolarHBondContact O-N 2.9Å; K291-Y316 HydrophobicContact CD-CE2 3.82Å; K291-Y316 HydrophobicContact CG-CE2 4.08Å; K291-Y316 PolarHBondContact NZ-OH 2.92Å; T314-Y316 HydrophobicContact CG2-CD2 4.48Å; T314-Y316 HydrophobicContact CG2-CE2 3.82Å; Y316-W355 CarbonylContact C-O 3.6Å; Y316-W355 WeakPolarHBondContact CA-O 3.34Å; Y316-W355 HydrophobicContact CD1-CB 3.63Å; Y316-W355 HydrophobicContact CD1-CG 4.48Å; Y316-W355 HydrophobicContact CE1-CB 3.77Å; Y316-W355 HydrophobicContact CE1-CG 4.18Å; Y316-W355 HydrophobicContact CG-CB 4.34Å |
| 317 | I | 95.4 | Very high | 84.9 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 164.3 | 178.4 | 55.8 | 155.9 | 0 | 0 | 0 | 111.3 | V285 N286 I287 D319 F325 W355 P357 I365 L380 | V285-I317 HydrophobicContact CB-CB 4.35Å; V285-I317 HydrophobicContact CB-CD1 4.04Å; V285-I317 HydrophobicContact CG1-CD1 4.17Å; V285-I317 HydrophobicContact CG2-CB 4.1Å; V285-I317 HydrophobicContact CG2-CD1 3.62Å; V285-I317 HydrophobicContact CG2-CG2 3.99Å; N286-I317 VanDerWaalsContact O-CA 3.25Å; N286-I317 WeakPolarHBondContact O-CA 3.34Å; I287-I317 HydrophobicContact CG1-CG2 4.14Å; I317-D319 VanDerWaalsContact CD1-O 3.25Å; I317-D319 WeakPolarHBondContact CD1-O 3.19Å; I317-D319 WeakPolarHBondContact CG1-O 3.27Å; I317-D319 PolarHBondContact O-N 3.19Å; I317-F325 HydrophobicContact CD1-CE2 3.97Å; I317-F325 HydrophobicContact CD1-CZ 4.33Å; I317-W355 VanDerWaalsContact CG1-O 3.3Å; I317-W355 WeakPolarHBondContact CG1-O 3.43Å; I317-W355 PolarHBondContact N-O 2.89Å; I317-P357 WeakPolarHBondContact O-CD 3.44Å; I317-I365 HydrophobicContact CD1-CD1 3.47Å; I317-I365 VanDerWaalsContact CD1-CD1 3.47Å; I317-I365 HydrophobicContact CG1-CD1 3.8Å; I317-L380 HydrophobicContact CG2-CD1 4.2Å |
| 318 | N | 93.3 | Very high | 86.6 | Confident | 32 Ų | 32 | 35.7 Ų | 35.7 | 17% | 0.171 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -81.3 | 10.7 | -177 | 63.1 | -11.1 | 0 | 0 | 0 | 115.2 | K37 A39 N286 I288 | K37-N318 PolarHBondContact O-ND2 2.85Å; A39-N318 PolarHBondContact N-ND2 3.04Å; A39-N318 VanDerWaalsContact N-ND2 3.14Å; N286-N318 PolarHBondContact N-OD1 3.32Å; N286-N318 PolarHBondContact O-N 3.27Å; N286-N318 PolarHBondContact O-OD1 3.08Å; I288-N318 HydrophobicContact CG2-CB 3.77Å |
| 319 | D | 93.1 | Very high | 87.9 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.192 | C | C | . | . | trans | -143.1 | 155.2 | 175 | -164.1 | -17 | 0 | 0 | 0 | 108.7 | A39 V285 I317 S324 F325 G356 I365 Y399 P402 | A39-D319 HydrophobicContact CB-CB 4.34Å; V285-D319 HydrophobicContact CG1-CB 3.91Å; I317-D319 VanDerWaalsContact CD1-O 3.25Å; I317-D319 WeakPolarHBondContact CD1-O 3.19Å; I317-D319 WeakPolarHBondContact CG1-O 3.27Å; I317-D319 PolarHBondContact O-N 3.19Å; D319-S324 PolarHBondContact OD1-N 2.99Å; D319-S324 WeakPolarHBondContact OD2-CB 3.3Å; D319-S324 PolarHBondContact OD2-OG 3.26Å; D319-F325 HydrophobicContact CB-CE2 4.24Å; D319-G356 WeakPolarHBondContact O-CA 3.26Å; D319-I365 WeakPolarHBondContact O-CD1 3.33Å; D319-Y399 HydrophobicContact CB-CE2 4.42Å; D319-Y399 WeakPolarHBondContact OD1-CE2 3.21Å; D319-Y399 PolarHBondContact OD1-OH 3.38Å; D319-Y399 PolarHBondContact OD2-OH 3.19Å; D319-P402 WeakPolarHBondContact OD2-CG 3.33Å | ||
| 320 | G | 91.4 | Very high | 87.9 | Confident | 2 Ų | 2 | 32.2 Ų | 32.2 | 2% | 0.021 | 18% | 0.178 | C | C | . | . | trans | -159.3 | -168.1 | -169.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y322 G323 S324 F325 D363 | G320-Y322 PolarHBondContact O-N 2.91Å; G320-G323 CarbonylContact O-C 3.09Å; G320-G323 WeakPolarHBondContact O-CA 3.41Å; G320-G323 PolarHBondContact O-N 2.92Å; G320-S324 PolarHBondContact O-N 3.34Å; G320-F325 WeakPolarHBondContact O-CB 3.23Å; G320-F325 PolarHBondContact O-N 3.4Å; G320-D363 WeakPolarHBondContact CA-OD1 3.32Å | ||
| 321 | V | 90.4 | Very high | 87.6 | Confident | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.006 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -29.5 | -177.2 | 178 | 0 | 0 | 0 | 0 | 111.6 | G323 A326 K328 L329 D363 I365 | V321-G323 PolarHBondContact O-N 2.9Å; V321-A326 WeakPolarHBondContact O-CA 3.33Å; V321-A326 WeakPolarHBondContact O-CB 3.3Å; V321-A326 PolarHBondContact O-N 3.01Å; V321-K328 HydrophobicContact CG2-CB 4.49Å; V321-L329 HydrophobicContact CG1-CD1 3.68Å; V321-L329 HydrophobicContact CG1-CD2 3.66Å; V321-L329 HydrophobicContact CG1-CG 3.39Å; V321-D363 PolarHBondContact N-OD1 3.36Å; V321-I365 HydrophobicContact CG2-CG1 4.24Å |
| 322 | Y | 88.7 | Confident | 86.6 | Confident | 64 Ų | 64 | 37.7 Ų | 37.7 | 25% | 0.251 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82 | 1.8 | 174.6 | -57.7 | -77 | 0 | 0 | 0 | 114.2 | G320 D360 D363 S394 F396 | G320-Y322 PolarHBondContact O-N 2.91Å; Y322-D360 HydrophobicContact CE2-CB 3.9Å; Y322-D360 PolarHBondContact OH-OD1 3.45Å; Y322-D360 PolarHBondContact OH-OD2 3.29Å; Y322-D360 VanDerWaalsContact OH-OD2 3.13Å; Y322-D363 HydrophobicContact CD2-CB 4.4Å; Y322-D363 HydrophobicContact CE2-CB 4.03Å; Y322-S394 PolarHBondContact O-OG 3.45Å; Y322-S394 VanDerWaalsContact O-OG 3.06Å; Y322-F396 AromaticContact CD1-CD1 3.75Å; Y322-F396 HydrophobicContact CD1-CD1 3.75Å; Y322-F396 AromaticContact CD1-CE1 3.88Å; Y322-F396 HydrophobicContact CD1-CE1 3.88Å; Y322-F396 HydrophobicContact CD1-CG 4.26Å; Y322-F396 AromaticContact CD2-CD1 3.65Å; Y322-F396 HydrophobicContact CD2-CD1 3.65Å; Y322-F396 AromaticContact CD2-CE1 3.4Å; Y322-F396 HydrophobicContact CD2-CE1 3.4Å; Y322-F396 VanDerWaalsContact CD2-CE1 3.4Å; Y322-F396 HydrophobicContact CD2-CZ 4.44Å; Y322-F396 HydrophobicContact CE1-CD1 4.22Å; Y322-F396 AromaticContact CE1-CE1 3.91Å; Y322-F396 HydrophobicContact CE1-CE1 3.91Å; Y322-F396 HydrophobicContact CE1-CZ 4.17Å; Y322-F396 HydrophobicContact CE2-CD1 4.14Å; Y322-F396 AromaticContact CE2-CE1 3.43Å; Y322-F396 HydrophobicContact CE2-CE1 3.43Å; Y322-F396 VanDerWaalsContact CE2-CE1 3.43Å; Y322-F396 HydrophobicContact CE2-CZ 4.11Å; Y322-F396 AromaticContact CG-CD1 3.42Å; Y322-F396 HydrophobicContact CG-CD1 3.42Å; Y322-F396 VanDerWaalsContact CG-CD1 3.42Å; Y322-F396 AromaticContact CG-CE1 3.62Å; Y322-F396 HydrophobicContact CG-CE1 3.62Å; Y322-F396 HydrophobicContact CG-CG 4.29Å; Y322-F396 AromaticContact CZ-CE1 3.69Å; Y322-F396 AromaticContact CZ-CZ 3.95Å |
| 323 | G | 89.3 | Confident | 85.4 | Confident | 11 Ų | 11 | 37.6 Ų | 37.6 | 11% | 0.113 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -126.8 | -119.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | G320 V321 F325 A326 Y399 | G320-G323 CarbonylContact O-C 3.09Å; G320-G323 WeakPolarHBondContact O-CA 3.41Å; G320-G323 PolarHBondContact O-N 2.92Å; V321-G323 PolarHBondContact O-N 2.9Å; G323-F325 VanDerWaalsContact C-N 3.25Å; G323-F325 PolarHBondContact O-N 3.32Å; G323-A326 PolarHBondContact O-N 3.2Å; G323-Y399 VanDerWaalsContact CA-CZ 3.47Å |
| 324 | S | 91.3 | Very high | 84 | Confident | 2 Ų | 2 | 44.6 Ų | 44.6 | 1% | 0.014 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -17 | -172.8 | -59.7 | 0 | 0 | 0 | 0 | 114.8 | Y41 D319 G320 M385 T389 Y399 | Y41-S324 WeakPolarHBondContact OH-CB 3.42Å; Y41-S324 PolarHBondContact OH-OG 2.98Å; D319-S324 PolarHBondContact OD1-N 2.99Å; D319-S324 WeakPolarHBondContact OD2-CB 3.3Å; D319-S324 PolarHBondContact OD2-OG 3.26Å; G320-S324 PolarHBondContact O-N 3.34Å; S324-M385 WeakPolarHBondContact O-CE 3.49Å; S324-T389 WeakPolarHBondContact CA-O 3.32Å; S324-T389 VanDerWaalsContact O-CA 3.3Å; S324-T389 WeakPolarHBondContact O-CA 3.35Å; S324-T389 WeakPolarHBondContact O-CB 3.29Å; S324-T389 VanDerWaalsContact O-CG2 3.22Å; S324-T389 WeakPolarHBondContact O-CG2 3.26Å; S324-Y399 PolarHBondContact N-OH 2.9Å; S324-Y399 PolarHBondContact OG-OH 2.82Å |
| 325 | F | 91 | Very high | 83 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | 19.6 | -179.3 | -60 | -89.1 | 0 | 0 | 0 | 113 | L283 V285 I317 D319 G320 G323 S327 K328 L333 I365 F382 M385 | L283-F325 HydrophobicContact CD2-CE2 3.72Å; L283-F325 HydrophobicContact CD2-CZ 3.69Å; V285-F325 HydrophobicContact CG1-CE2 4.4Å; I317-F325 HydrophobicContact CD1-CE2 3.97Å; I317-F325 HydrophobicContact CD1-CZ 4.33Å; D319-F325 HydrophobicContact CB-CE2 4.24Å; G320-F325 WeakPolarHBondContact O-CB 3.23Å; G320-F325 PolarHBondContact O-N 3.4Å; G323-F325 VanDerWaalsContact C-N 3.25Å; G323-F325 PolarHBondContact O-N 3.32Å; F325-S327 PolarHBondContact O-N 3.16Å; F325-S327 VanDerWaalsContact O-N 3.15Å; F325-K328 WeakPolarHBondContact O-CB 3.24Å; F325-K328 PolarHBondContact O-N 3Å; F325-L333 HydrophobicContact CD1-CD2 4.25Å; F325-I365 HydrophobicContact CB-CG1 4.45Å; F325-I365 HydrophobicContact CB-CG2 4.21Å; F325-I365 HydrophobicContact CD1-CG2 3.41Å; F325-I365 VanDerWaalsContact CD1-CG2 3.41Å; F325-I365 HydrophobicContact CD2-CD1 3.87Å; F325-I365 HydrophobicContact CD2-CG1 4.45Å; F325-I365 HydrophobicContact CD2-CG2 4.34Å; F325-I365 HydrophobicContact CE1-CG2 3.73Å; F325-I365 HydrophobicContact CE2-CD1 4.09Å; F325-I365 HydrophobicContact CG-CD1 4.22Å; F325-I365 HydrophobicContact CG-CG1 4.34Å; F325-I365 HydrophobicContact CG-CG2 3.73Å; F325-I365 HydrophobicContact CZ-CG2 4.32Å; F325-F382 AromaticContact CE1-CD1 3.92Å; F325-F382 HydrophobicContact CE1-CD1 3.92Å; F325-F382 HydrophobicContact CE1-CD2 4.41Å; F325-F382 HydrophobicContact CE1-CE1 4Å; F325-F382 HydrophobicContact CE1-CG 4.09Å; F325-F382 HydrophobicContact CE1-CZ 4.28Å; F325-F382 HydrophobicContact CZ-CD1 4.22Å; F325-F382 AromaticContact CZ-CD2 3.88Å; F325-F382 HydrophobicContact CZ-CD2 3.88Å; F325-F382 HydrophobicContact CZ-CE1 4.24Å; F325-F382 AromaticContact CZ-CE2 3.94Å; F325-F382 HydrophobicContact CZ-CE2 3.94Å; F325-F382 HydrophobicContact CZ-CG 4Å; F325-F382 HydrophobicContact CZ-CZ 4.08Å; F325-M385 HydrophobicContact CD1-CE 3.65Å; F325-M385 HydrophobicContact CE1-CE 3.49Å; F325-M385 VanDerWaalsContact CE1-CE 3.49Å; F325-M385 HydrophobicContact CE1-SD 4.25Å; F325-M385 HydrophobicContact CE2-CE 4.44Å; F325-M385 HydrophobicContact CG-CE 4.22Å; F325-M385 HydrophobicContact CZ-CE 3.93Å |
| 326 | A | 86.9 | Confident | 82.4 | Confident | 41 Ų | 41 | 49.6 Ų | 49.6 | 34% | 0.339 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -30.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | V321 G323 K328 L329 | V321-A326 WeakPolarHBondContact O-CA 3.33Å; V321-A326 WeakPolarHBondContact O-CB 3.3Å; V321-A326 PolarHBondContact O-N 3.01Å; G323-A326 PolarHBondContact O-N 3.2Å; A326-K328 PolarHBondContact O-N 3.26Å; A326-K328 VanDerWaalsContact O-N 3.1Å; A326-L329 WeakPolarHBondContact O-CB 3.12Å; A326-L329 PolarHBondContact O-N 3.45Å |
| 327 | S | 81.6 | Confident | 82.2 | Confident | 8 Ų | 8 | 48.4 Ų | 48.4 | 6% | 0.056 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58.4 | -21.2 | 174.4 | 55.8 | 0 | 0 | 0 | 0 | 113.4 | F325 L329 S330 E331 L333 | F325-S327 PolarHBondContact O-N 3.16Å; F325-S327 VanDerWaalsContact O-N 3.15Å; S327-L329 PolarHBondContact O-N 3.21Å; S327-S330 PolarHBondContact O-N 3Å; S327-S330 PolarHBondContact O-OG 2.8Å; S327-E331 PolarHBondContact O-N 2.9Å; S327-L333 WeakPolarHBondContact OG-CD2 3.45Å |
| 328 | K | 83.4 | Confident | 82.1 | Confident | 77 Ų | 77 | 53.7 Ų | 53.7 | 34% | 0.335 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -62.8 | -28.1 | 174.6 | -172.8 | 59.3 | 174.8 | -176.8 | 0 | 113.4 | V321 F325 A326 L333 I365 | V321-K328 HydrophobicContact CG2-CB 4.49Å; F325-K328 WeakPolarHBondContact O-CB 3.24Å; F325-K328 PolarHBondContact O-N 3Å; A326-K328 PolarHBondContact O-N 3.26Å; A326-K328 VanDerWaalsContact O-N 3.1Å; K328-L333 HydrophobicContact CD-CB 4.15Å; K328-I365 WeakPolarHBondContact CE-O 3.43Å |
| 329 | L | 78.4 | Confident | 82.1 | Confident | 116 Ų | 116 | 53.4 Ų | 53.4 | 61% | 0.607 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -74.8 | -28.4 | 177.9 | -65.9 | 174 | 0 | 0 | 0 | 112.7 | V321 A326 S327 | V321-L329 HydrophobicContact CG1-CD1 3.68Å; V321-L329 HydrophobicContact CG1-CD2 3.66Å; V321-L329 HydrophobicContact CG1-CG 3.39Å; A326-L329 WeakPolarHBondContact O-CB 3.12Å; A326-L329 PolarHBondContact O-N 3.45Å; S327-L329 PolarHBondContact O-N 3.21Å |
| 330 | S | 65.3 | Low | 82 | Confident | 81 Ų | 81 | 56 Ų | 56 | 57% | 0.566 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -104.5 | -27.9 | -174.5 | 55.4 | 0 | 0 | 0 | 0 | 113.5 | S327 | S327-S330 PolarHBondContact O-N 3Å; S327-S330 PolarHBondContact O-OG 2.8Å |
| 331 | E | 66.6 | Low | 81.8 | Confident | 109 Ų | 109 | 61.1 Ų | 61.1 | 51% | 0.509 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -134.3 | 151.3 | -172 | -62.4 | -179.5 | -173.4 | 0 | 0 | 110.6 | S327 L333 | S327-E331 PolarHBondContact O-N 2.9Å; E331-L333 PolarHBondContact O-N 3.34Å |
| 332 | K | 63 | Low | 81.2 | Confident | 154 Ų | 154 | 71.2 Ų | 71.2 | 67% | 0.67 | 36% | 0.362 | S | S | * | . | trans | -69.8 | 79.6 | 165.6 | -77.3 | 176.6 | 179.6 | 161.5 | 0 | 108.4 | D163 N334 | D163-K332 IonicContact OD1-NZ 3.14Å; D163-K332 PolarHBondContact OD1-NZ 3.45Å; D163-K332 IonicContact OD2-NZ 3.6Å; D163-K332 PolarHBondContact OD2-NZ 3.22Å; K332-N334 PolarHBondContact O-N 2.62Å; K332-N334 VanDerWaalsContact O-N 3.11Å | ||
| 333 | L | 64.1 | Low | 80.5 | Confident | 32 Ų | 32 | 73.6 Ų | 73.6 | 17% | 0.168 | 37% | 0.371 | C | S | . | . | trans | -68 | 108.4 | 173.6 | -166.9 | 72.5 | 0 | 0 | 0 | 108.1 | F325 S327 K328 E331 T335 | F325-L333 HydrophobicContact CD1-CD2 4.25Å; S327-L333 WeakPolarHBondContact OG-CD2 3.45Å; K328-L333 HydrophobicContact CD-CB 4.15Å; E331-L333 PolarHBondContact O-N 3.34Å; L333-T335 VanDerWaalsContact C-N 3.25Å; L333-T335 HydrophobicContact CD1-CG2 3.87Å; L333-T335 HydrophobicContact CD2-CG2 3.57Å; L333-T335 WeakPolarHBondContact CD2-OG1 3.07Å; L333-T335 HydrophobicContact CG-CG2 3.51Å; L333-T335 PolarHBondContact O-N 3.01Å | ||
| 334 | N | 65 | Low | 79.8 | Confident | 150 Ų | 150 | 80.8 Ų | 80.8 | 80% | 0.802 | 40% | 0.399 | S | S | * | . | trans | -91.9 | 61.1 | 170.5 | -71.4 | -16.7 | 0 | 0 | 0 | 108.8 | K332 | K332-N334 PolarHBondContact O-N 2.62Å; K332-N334 VanDerWaalsContact O-N 3.11Å | ||
| 335 | T | 72.2 | Confident | 78.8 | Confident | 17 Ų | 17 | 89.9 Ų | 89.9 | 10% | 0.104 | 44% | 0.442 | C | S | . | . | trans | -84.1 | 115 | 171.4 | 41.2 | 0 | 0 | 0 | 0 | 109.2 | L333 M385 | L333-T335 VanDerWaalsContact C-N 3.25Å; L333-T335 HydrophobicContact CD1-CG2 3.87Å; L333-T335 HydrophobicContact CD2-CG2 3.57Å; L333-T335 WeakPolarHBondContact CD2-OG1 3.07Å; L333-T335 HydrophobicContact CG-CG2 3.51Å; L333-T335 PolarHBondContact O-N 3.01Å; T335-M385 HydrophobicContact CG2-SD 3.62Å | ||
| 336 | T | 84.9 | Confident | 78.2 | Confident | 106 Ų | 106 | 97.3 Ų | 97.3 | 65% | 0.65 | 48% | 0.482 | S | S | * | . | trans | -89.1 | 123.1 | 175.1 | -54.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 337 | P | 91.9 | Very high | 78.1 | Confident | 14 Ų | 14 | 99 Ų | 99 | 9% | 0.091 | 48% | 0.483 | C | S | . | . | trans | -70.7 | 132.9 | 173.5 | 28.7 | -33.3 | 0 | 0 | 0 | 110.2 | L354 L371 L380 F382 | P337-L354 HydrophobicContact CB-CD1 3.76Å; P337-L354 HydrophobicContact CG-CD1 3.77Å; P337-L371 HydrophobicContact CG-CD2 4.34Å; P337-L380 HydrophobicContact CB-CD1 4.47Å; P337-F382 HydrophobicContact CB-CD1 4.5Å; P337-F382 HydrophobicContact CB-CE1 3.72Å; P337-F382 HydrophobicContact CB-CE2 4.39Å; P337-F382 HydrophobicContact CB-CZ 3.68Å | ||
| 338 | E | 93.1 | Very high | 78.4 | Confident | 111 Ų | 111 | 102.6 Ų | 102.6 | 52% | 0.519 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 134.1 | 169.4 | -64.2 | -169.6 | 176.9 | 0 | 0 | 110.2 | L380 I381 | E338-L380 CarbonylContact O-C 3.54Å; E338-L380 WeakPolarHBondContact O-CA 3.49Å; E338-I381 HydrophobicContact CB-CB 4.37Å; E338-I381 PolarHBondContact N-O 3.21Å; E338-I381 PolarHBondContact O-N 3.47Å |
| 339 | V | 92.9 | Very high | 78.7 | Confident | 25 Ų | 25 | 102.9 Ų | 102.9 | 15% | 0.152 | 51% | 0.51 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 121.9 | 177.9 | -178.8 | 0 | 0 | 0 | 0 | 108.7 | K341 Y343 L371 P372 L374 L380 | V339-K341 HydrophobicContact CG1-CB 4.32Å; V339-K341 PolarHBondContact O-N 3.18Å; V339-Y343 HydrophobicContact CB-CD1 4.38Å; V339-Y343 HydrophobicContact CB-CE1 4.11Å; V339-Y343 HydrophobicContact CG1-CD1 4.42Å; V339-L371 HydrophobicContact CG2-CD2 3.79Å; V339-P372 HydrophobicContact CG2-CG 4.21Å; V339-L374 HydrophobicContact CG1-CD2 3.73Å; V339-L374 HydrophobicContact CG2-CD1 4.23Å; V339-L374 HydrophobicContact CG2-CD2 4.13Å; V339-L380 HydrophobicContact CG2-CD2 3.94Å |
| 340 | H | 91.6 | Very high | 79.4 | Confident | 55 Ų | 55 | 98.5 Ų | 98.5 | 26% | 0.255 | 49% | 0.486 | S | S | . | . | S | Bend | trans | -63.8 | -40.5 | 179.4 | 166 | -81.3 | 0 | 0 | 0 | 112.6 | D26 I29 K342 W379 I381 | D26-H340 IonicContact OD1-CD2 3.45Å; D26-H340 PolarHBondContact OD1-CD2 3.13Å; D26-H340 IonicContact OD1-NE2 3.43Å; D26-H340 PolarHBondContact OD1-NE2 3.18Å; I29-H340 HydrophobicContact CD1-CB 4.21Å; I29-H340 WeakPolarHBondContact CD1-CD2 3.12Å; H340-K342 PolarHBondContact O-N 2.76Å; H340-W379 HydrophobicContact CB-CB 4.01Å; H340-W379 PolarHBondContact N-O 2.9Å; H340-I381 HydrophobicContact CB-CD1 4.31Å; H340-I381 HydrophobicContact CB-CG1 4.09Å |
| 341 | K | 85.4 | Confident | 80.7 | Confident | 110 Ų | 110 | 96.9 Ų | 96.9 | 48% | 0.478 | 48% | 0.478 | S | S | . | . | S | Bend | trans | -66.9 | 134.9 | -179.8 | -72.5 | -174.1 | -177.7 | 172.3 | 0 | 110.3 | V339 Y343 D378 | V339-K341 HydrophobicContact CG1-CB 4.32Å; V339-K341 PolarHBondContact O-N 3.18Å; K341-Y343 WeakPolarHBondContact O-CD1 3.48Å; K341-Y343 PolarHBondContact O-N 3.13Å; K341-D378 WeakPolarHBondContact CE-OD1 3.42Å; K341-D378 VanDerWaalsContact NZ-CG 3.29Å; K341-D378 IonicContact NZ-OD1 2.64Å; K341-D378 PolarHBondContact NZ-OD1 2.89Å; K341-D378 IonicContact NZ-OD2 2.57Å; K341-D378 PolarHBondContact NZ-OD2 3.39Å |
| 342 | K | 78.3 | Confident | 82 | Confident | 212 Ų | 212 | 91.8 Ų | 91.8 | 92% | 0.922 | 45% | 0.454 | S | S | * | . | trans | -68.9 | 111.1 | 169.1 | -64.2 | -175.4 | -179.3 | 177.7 | 0 | 109.3 | H340 | H340-K342 PolarHBondContact O-N 2.76Š| ||
| 343 | Y | 74.9 | Confident | 83.4 | Confident | 115 Ų | 115 | 85 Ų | 85 | 45% | 0.451 | 43% | 0.427 | S | S | . | . | trans | -96.6 | 156.8 | 170.1 | 53.8 | -85.9 | 0 | 0 | 0 | 110.1 | V339 K341 E347 P372 | V339-Y343 HydrophobicContact CB-CD1 4.38Å; V339-Y343 HydrophobicContact CB-CE1 4.11Å; V339-Y343 HydrophobicContact CG1-CD1 4.42Å; K341-Y343 WeakPolarHBondContact O-CD1 3.48Å; K341-Y343 PolarHBondContact O-N 3.13Å; Y343-E347 VanDerWaalsContact CB-OE2 3.29Å; Y343-E347 WeakPolarHBondContact CB-OE2 3.34Å; Y343-E347 HydrophobicContact CD2-CB 4.5Å; Y343-P372 HydrophobicContact CD1-CG 4.17Å; Y343-P372 HydrophobicContact CE1-CG 4.45Å; Y343-P372 HydrophobicContact CG-CG 4.28Å | ||
| 344 | K | 74.6 | Confident | 84.8 | Confident | 161 Ų | 161 | 83.5 Ų | 83.5 | 70% | 0.7 | 42% | 0.419 | S | S | * | . | trans | -70.2 | 143.6 | 174 | -64 | 176.5 | -178.4 | 173.5 | 0 | 109.2 | D346 E347 | K344-D346 PolarHBondContact O-N 3.38Å; K344-E347 HydrophobicContact CB-CG 4.26Å; K344-E347 PolarHBondContact N-OE1 3.41Å; K344-E347 WeakPolarHBondContact O-CB 3.46Å; K344-E347 PolarHBondContact O-N 2.89Å | ||
| 345 | E | 70.6 | Confident | 86.3 | Confident | 194 Ų | 194 | 78.9 Ų | 78.9 | 91% | 0.907 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | -25.3 | 179 | -72.1 | -175.4 | 165.5 | 0 | 0 | 113.2 | ||
| 346 | D | 78.5 | Confident | 87.3 | Confident | 156 Ų | 156 | 78.1 Ų | 78.1 | 83% | 0.834 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | 5.9 | -179.6 | -55.5 | -40.4 | 0 | 0 | 0 | 114.3 | K344 | K344-D346 PolarHBondContact O-N 3.38Š|
| 347 | E | 83.1 | Confident | 87.6 | Confident | 77 Ų | 77 | 75.6 Ų | 75.6 | 36% | 0.36 | 37% | 0.371 | S | S | . | . | P | Polyproline II helix | trans | -69 | 136 | 178 | -83.4 | 177.8 | -140.3 | 0 | 0 | 111.8 | Y343 K344 L349 | Y343-E347 VanDerWaalsContact CB-OE2 3.29Å; Y343-E347 WeakPolarHBondContact CB-OE2 3.34Å; Y343-E347 HydrophobicContact CD2-CB 4.5Å; K344-E347 HydrophobicContact CB-CG 4.26Å; K344-E347 PolarHBondContact N-OE1 3.41Å; K344-E347 WeakPolarHBondContact O-CB 3.46Å; K344-E347 PolarHBondContact O-N 2.89Å; E347-L349 PolarHBondContact O-N 2.76Å |
| 348 | P | 88.2 | Confident | 87.4 | Confident | 83 Ų | 83 | 75.7 Ų | 75.7 | 54% | 0.539 | 37% | 0.372 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 135.2 | -178.7 | 27.1 | -33.5 | 0 | 0 | 0 | 110.8 | F350 | P348-F350 HydrophobicContact CB-CE2 3.96Å; P348-F350 HydrophobicContact CB-CZ 3.83Å; P348-F350 HydrophobicContact CG-CE2 3.82Å; P348-F350 HydrophobicContact CG-CZ 3.8Å; P348-F350 WeakPolarHBondContact O-CD2 3.24Å; P348-F350 WeakPolarHBondContact O-CE2 3.25Å |
| 349 | L | 91 | Very high | 86.6 | Confident | 82 Ų | 82 | 75.9 Ų | 75.9 | 43% | 0.429 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 138.9 | 174.4 | -60.4 | 178.9 | 0 | 0 | 0 | 110.2 | E347 L370 P372 | E347-L349 PolarHBondContact O-N 2.76Å; L349-L370 HydrophobicContact CB-CB 4.29Å; L349-L370 HydrophobicContact CD1-CB 4.37Å; L349-P372 HydrophobicContact CD2-CB 4.4Å |
| 350 | F | 91.8 | Very high | 86.4 | Confident | 24 Ų | 24 | 77.2 Ų | 77.2 | 11% | 0.105 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 145.3 | -177.1 | -58.3 | -85 | 0 | 0 | 0 | 111 | P311 F313 P348 S352 L371 E373 | P311-F350 HydrophobicContact CG-CD1 3.72Å; P311-F350 HydrophobicContact CG-CE1 3.65Å; F313-F350 HydrophobicContact CD2-CB 3.68Å; F313-F350 HydrophobicContact CD2-CD2 4.27Å; F313-F350 HydrophobicContact CD2-CG 4Å; F313-F350 HydrophobicContact CE2-CB 3.79Å; F313-F350 HydrophobicContact CE2-CD1 4.05Å; F313-F350 AromaticContact CE2-CD2 3.67Å; F313-F350 HydrophobicContact CE2-CD2 3.67Å; F313-F350 HydrophobicContact CE2-CE2 4.22Å; F313-F350 AromaticContact CE2-CG 3.56Å; F313-F350 HydrophobicContact CE2-CG 3.56Å; P348-F350 HydrophobicContact CB-CE2 3.96Å; P348-F350 HydrophobicContact CB-CZ 3.83Å; P348-F350 HydrophobicContact CG-CE2 3.82Å; P348-F350 HydrophobicContact CG-CZ 3.8Å; P348-F350 WeakPolarHBondContact O-CD2 3.24Å; P348-F350 WeakPolarHBondContact O-CE2 3.25Å; F350-S352 PolarHBondContact O-N 3.5Å; F350-S352 PolarHBondContact O-OG 2.68Å; F350-L371 PolarHBondContact N-O 2.73Å; F350-L371 PolarHBondContact O-N 2.86Å; F350-E373 HydrophobicContact CD2-CB 4.25Å; F350-E373 HydrophobicContact CE2-CB 4Å |
| 351 | A | 92.9 | Very high | 86.2 | Confident | 47 Ų | 47 | 82.4 Ų | 82.4 | 39% | 0.388 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.5 | 123.7 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | V312 F313 | V312-A351 WeakPolarHBondContact CA-O 3.48Å; V312-A351 WeakPolarHBondContact CG1-O 3.22Å; V312-A351 HydrophobicContact CG2-CB 4.4Å; F313-A351 PolarHBondContact N-O 2.93Å; F313-A351 VanDerWaalsContact N-O 3.1Å |
| 352 | S | 93.3 | Very high | 86.4 | Confident | 2 Ų | 2 | 82 Ų | 82 | 1% | 0.014 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 149.5 | -171.3 | -61.1 | 0 | 0 | 0 | 0 | 111.9 | F313 F350 N368 C369 | F313-S352 CarbonylContact O-C 3.56Å; F313-S352 WeakPolarHBondContact O-CA 3.42Å; F350-S352 PolarHBondContact O-N 3.5Å; F350-S352 PolarHBondContact O-OG 2.68Å; S352-N368 CarbonylContact O-C 3.55Å; S352-N368 WeakPolarHBondContact O-CA 3.48Å; S352-C369 PolarHBondContact N-O 2.85Å; S352-C369 PolarHBondContact O-N 3.31Å; S352-C369 PolarHBondContact O-SG 3.46Å |
| 353 | S | 93.4 | Very high | 87 | Confident | 13 Ų | 13 | 72 Ų | 72 | 9% | 0.091 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 144.8 | 172 | 54.9 | 0 | 0 | 0 | 0 | 110.8 | F313 T314 Y315 W355 V366 E367 | F313-S353 PolarHBondContact O-N 3.41Å; T314-S353 PolarHBondContact OG1-OG 2.68Å; Y315-S353 PolarHBondContact N-O 3.38Å; S353-W355 PolarHBondContact OG-NE1 3.3Å; S353-V366 WeakPolarHBondContact CA-O 3.41Å; S353-E367 VanDerWaalsContact CB-O 3.29Å; S353-E367 WeakPolarHBondContact CB-O 3.3Å |
| 354 | L | 94.3 | Very high | 87.8 | Confident | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 130.7 | 177.9 | -58.3 | -175.7 | 0 | 0 | 0 | 111 | Y315 P337 I365 V366 L371 L380 F382 | Y315-L354 HydrophobicContact CD2-CD2 4Å; Y315-L354 HydrophobicContact CG-CD2 4.34Å; Y315-L354 WeakPolarHBondContact O-CA 3.45Å; P337-L354 HydrophobicContact CB-CD1 3.76Å; P337-L354 HydrophobicContact CG-CD1 3.77Å; L354-I365 PolarHBondContact O-N 2.82Å; L354-V366 HydrophobicContact CB-CB 3.95Å; L354-V366 HydrophobicContact CB-CG2 4.24Å; L354-V366 HydrophobicContact CD1-CB 4.26Å; L354-V366 HydrophobicContact CD1-CG2 3.97Å; L354-V366 HydrophobicContact CG-CB 4.12Å; L354-V366 HydrophobicContact CG-CG2 4.36Å; L354-V366 PolarHBondContact N-O 3.33Å; L354-V366 PolarHBondContact O-N 3.35Å; L354-L371 HydrophobicContact CD2-CD1 4.15Å; L354-L380 HydrophobicContact CD1-CD1 3.82Å; L354-L380 HydrophobicContact CD2-CD1 3.85Å; L354-F382 HydrophobicContact CD1-CZ 3.81Å |
| 355 | W | 94.5 | Very high | 88.6 | Confident | 52 Ų | 52 | 61.8 Ų | 61.8 | 20% | 0.197 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 148.4 | -177.2 | -66.5 | 73.5 | 0 | 0 | 0 | 110.6 | T314 Y315 Y316 I317 S353 E361 D363 Q364 | T314-W355 HydrophobicContact CG2-CG 4.24Å; Y315-W355 PolarHBondContact O-N 3.44Å; Y316-W355 CarbonylContact C-O 3.6Å; Y316-W355 WeakPolarHBondContact CA-O 3.34Å; Y316-W355 HydrophobicContact CD1-CB 3.63Å; Y316-W355 HydrophobicContact CD1-CG 4.48Å; Y316-W355 HydrophobicContact CE1-CB 3.77Å; Y316-W355 HydrophobicContact CE1-CG 4.18Å; Y316-W355 HydrophobicContact CG-CB 4.34Å; I317-W355 VanDerWaalsContact CG1-O 3.3Å; I317-W355 WeakPolarHBondContact CG1-O 3.43Å; I317-W355 PolarHBondContact N-O 2.89Å; S353-W355 PolarHBondContact OG-NE1 3.3Å; W355-E361 WeakPolarHBondContact CZ3-O 3.33Å; W355-D363 CarbonylContact C-O 3.4Å; W355-D363 WeakPolarHBondContact CA-O 3.22Å; W355-Q364 HydrophobicContact CD2-CB 4.09Å; W355-Q364 HydrophobicContact CD2-CG 4.07Å; W355-Q364 HydrophobicContact CE3-CB 3.87Å; W355-Q364 HydrophobicContact CE3-CG 4.35Å; W355-Q364 HydrophobicContact CH2-CB 3.87Å; W355-Q364 HydrophobicContact CH2-CG 4.09Å; W355-Q364 HydrophobicContact CZ2-CB 4.09Å; W355-Q364 HydrophobicContact CZ2-CG 3.79Å; W355-Q364 HydrophobicContact CZ3-CB 3.76Å; W355-Q364 HydrophobicContact CZ3-CG 4.36Å |
| 356 | G | 93.6 | Very high | 89.5 | Confident | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.01 | 30% | 0.295 | C | S | . | . | trans | -77.1 | 178.9 | 171 | 0 | 0 | 0 | 0 | 0 | 113 | D319 S358 D363 | D319-G356 WeakPolarHBondContact O-CA 3.26Å; G356-S358 VanDerWaalsContact C-N 3.32Å; G356-S358 PolarHBondContact O-N 2.92Å; G356-D363 VanDerWaalsContact CA-CG 3.42Å; G356-D363 WeakPolarHBondContact CA-OD2 3.34Å; G356-D363 PolarHBondContact N-O 3.37Å | ||
| 357 | P | 92.1 | Very high | 90 | Very high | 53 Ų | 53 | 52 Ų | 52 | 34% | 0.344 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -9.3 | -169.9 | 31.3 | -35.5 | 0 | 0 | 0 | 114.1 | I288 I317 C359 | I288-P357 HydrophobicContact CD1-CB 3.97Å; I317-P357 WeakPolarHBondContact O-CD 3.44Å; P357-C359 VanDerWaalsContact C-N 3.33Å; P357-C359 PolarHBondContact O-N 2.91Å |
| 358 | S | 87.4 | Confident | 90.2 | Very high | 17 Ų | 17 | 54 Ų | 54 | 12% | 0.119 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -12.5 | -164.6 | 69.5 | 0 | 0 | 0 | 0 | 115.6 | G356 D360 D363 N397 | G356-S358 VanDerWaalsContact C-N 3.32Å; G356-S358 PolarHBondContact O-N 2.92Å; S358-D360 PolarHBondContact O-N 3.5Å; S358-D360 WeakPolarHBondContact OG-CB 3.48Å; S358-D360 PolarHBondContact OG-N 3.26Å; S358-D363 WeakPolarHBondContact CB-OD2 3.29Å; S358-D363 PolarHBondContact N-OD2 3.35Å; S358-D363 WeakPolarHBondContact OG-CB 3.35Å; S358-D363 PolarHBondContact OG-OD2 3.44Å; S358-N397 VanDerWaalsContact CA-ND2 3.32Å; S358-N397 WeakPolarHBondContact CA-ND2 3.47Å; S358-N397 WeakPolarHBondContact CB-ND2 3.3Å; S358-N397 PolarHBondContact O-ND2 2.85Å |
| 359 | C | 76.6 | Confident | 90.4 | Very high | 114 Ų | 114 | 51.1 Ų | 51.1 | 77% | 0.77 | 28% | 0.278 | S | S | * | . | trans | 58.3 | 16.2 | -170.2 | -55.5 | 0 | 0 | 0 | 0 | 114.7 | P357 | P357-C359 VanDerWaalsContact C-N 3.33Å; P357-C359 PolarHBondContact O-N 2.91Å | ||
| 360 | D | 87.6 | Confident | 90.4 | Very high | 53 Ų | 53 | 52.9 Ų | 52.9 | 28% | 0.283 | 29% | 0.287 | S | S | . | . | trans | -81.1 | 146.8 | 170.7 | -164.6 | -60.9 | 0 | 0 | 0 | 110.4 | Y322 S358 L362 D363 | Y322-D360 HydrophobicContact CE2-CB 3.9Å; Y322-D360 PolarHBondContact OH-OD1 3.45Å; Y322-D360 PolarHBondContact OH-OD2 3.29Å; Y322-D360 VanDerWaalsContact OH-OD2 3.13Å; S358-D360 PolarHBondContact O-N 3.5Å; S358-D360 WeakPolarHBondContact OG-CB 3.48Å; S358-D360 PolarHBondContact OG-N 3.26Å; D360-L362 PolarHBondContact O-N 3.05Å; D360-L362 WeakPolarHBondContact OD1-CB 3.31Å; D360-L362 PolarHBondContact OD1-N 2.9Å; D360-D363 HydrophobicContact CB-CB 4.26Å; D360-D363 WeakPolarHBondContact O-CB 3.38Å; D360-D363 PolarHBondContact O-N 2.93Å; D360-D363 VanDerWaalsContact O-N 3.15Å | ||
| 361 | E | 87.5 | Confident | 90.4 | Very high | 164 Ų | 164 | 52 Ų | 52 | 77% | 0.766 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -24.7 | 177.3 | 63.4 | -176.1 | 179.9 | 0 | 0 | 113 | W355 D363 | W355-E361 WeakPolarHBondContact CZ3-O 3.33Å; E361-D363 VanDerWaalsContact C-N 3.34Å |
| 362 | L | 89.5 | Confident | 90.4 | Very high | 103 Ų | 103 | 50 Ų | 50 | 54% | 0.539 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -9.6 | 176 | -59.4 | -179.4 | 0 | 0 | 0 | 113.1 | D360 Q364 | D360-L362 PolarHBondContact O-N 3.05Å; D360-L362 WeakPolarHBondContact OD1-CB 3.31Å; D360-L362 PolarHBondContact OD1-N 2.9Å; L362-Q364 PolarHBondContact O-N 3.27Å |
| 363 | D | 91.3 | Very high | 90.4 | Very high | 2 Ų | 2 | 55.2 Ų | 55.2 | 1% | 0.011 | 29% | 0.291 | C | S | . | . | trans | -83.9 | 34 | 179.5 | -156.2 | 14.7 | 0 | 0 | 0 | 112.7 | G320 V321 Y322 W355 G356 S358 D360 E361 | G320-D363 WeakPolarHBondContact CA-OD1 3.32Å; V321-D363 PolarHBondContact N-OD1 3.36Å; Y322-D363 HydrophobicContact CD2-CB 4.4Å; Y322-D363 HydrophobicContact CE2-CB 4.03Å; W355-D363 CarbonylContact C-O 3.4Å; W355-D363 WeakPolarHBondContact CA-O 3.22Å; G356-D363 VanDerWaalsContact CA-CG 3.42Å; G356-D363 WeakPolarHBondContact CA-OD2 3.34Å; G356-D363 PolarHBondContact N-O 3.37Å; S358-D363 WeakPolarHBondContact CB-OD2 3.29Å; S358-D363 PolarHBondContact N-OD2 3.35Å; S358-D363 WeakPolarHBondContact OG-CB 3.35Å; S358-D363 PolarHBondContact OG-OD2 3.44Å; D360-D363 HydrophobicContact CB-CB 4.26Å; D360-D363 WeakPolarHBondContact O-CB 3.38Å; D360-D363 PolarHBondContact O-N 2.93Å; D360-D363 VanDerWaalsContact O-N 3.15Å; E361-D363 VanDerWaalsContact C-N 3.34Å | ||
| 364 | Q | 91.2 | Very high | 90.5 | Very high | 58 Ų | 58 | 55 Ų | 55 | 27% | 0.271 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 119.4 | 173.5 | -167.5 | 178.6 | 35.5 | 0 | 0 | 109.4 | W355 L362 | W355-Q364 HydrophobicContact CD2-CB 4.09Å; W355-Q364 HydrophobicContact CD2-CG 4.07Å; W355-Q364 HydrophobicContact CE3-CB 3.87Å; W355-Q364 HydrophobicContact CE3-CG 4.35Å; W355-Q364 HydrophobicContact CH2-CB 3.87Å; W355-Q364 HydrophobicContact CH2-CG 4.09Å; W355-Q364 HydrophobicContact CZ2-CB 4.09Å; W355-Q364 HydrophobicContact CZ2-CG 3.79Å; W355-Q364 HydrophobicContact CZ3-CB 3.76Å; W355-Q364 HydrophobicContact CZ3-CG 4.36Å; L362-Q364 PolarHBondContact O-N 3.27Å |
| 365 | I | 91.5 | Very high | 90.5 | Very high | 2 Ų | 2 | 58.1 Ų | 58.1 | 1% | 0.01 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | -51.6 | -174.2 | -54.4 | 169.3 | 0 | 0 | 0 | 109.6 | I317 D319 V321 F325 K328 L354 | I317-I365 HydrophobicContact CD1-CD1 3.47Å; I317-I365 VanDerWaalsContact CD1-CD1 3.47Å; I317-I365 HydrophobicContact CG1-CD1 3.8Å; D319-I365 WeakPolarHBondContact O-CD1 3.33Å; V321-I365 HydrophobicContact CG2-CG1 4.24Å; F325-I365 HydrophobicContact CB-CG1 4.45Å; F325-I365 HydrophobicContact CB-CG2 4.21Å; F325-I365 HydrophobicContact CD1-CG2 3.41Å; F325-I365 VanDerWaalsContact CD1-CG2 3.41Å; F325-I365 HydrophobicContact CD2-CD1 3.87Å; F325-I365 HydrophobicContact CD2-CG1 4.45Å; F325-I365 HydrophobicContact CD2-CG2 4.34Å; F325-I365 HydrophobicContact CE1-CG2 3.73Å; F325-I365 HydrophobicContact CE2-CD1 4.09Å; F325-I365 HydrophobicContact CG-CD1 4.22Å; F325-I365 HydrophobicContact CG-CG1 4.34Å; F325-I365 HydrophobicContact CG-CG2 3.73Å; F325-I365 HydrophobicContact CZ-CG2 4.32Å; K328-I365 WeakPolarHBondContact CE-O 3.43Å; L354-I365 PolarHBondContact O-N 2.82Å |
| 366 | V | 90.8 | Very high | 90.6 | Very high | 17 Ų | 17 | 59.9 Ų | 59.9 | 10% | 0.103 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 114.4 | 178.2 | -175.8 | 0 | 0 | 0 | 0 | 108.3 | S353 L354 C369 | S353-V366 WeakPolarHBondContact CA-O 3.41Å; L354-V366 HydrophobicContact CB-CB 3.95Å; L354-V366 HydrophobicContact CB-CG2 4.24Å; L354-V366 HydrophobicContact CD1-CB 4.26Å; L354-V366 HydrophobicContact CD1-CG2 3.97Å; L354-V366 HydrophobicContact CG-CB 4.12Å; L354-V366 HydrophobicContact CG-CG2 4.36Å; L354-V366 PolarHBondContact N-O 3.33Å; L354-V366 PolarHBondContact O-N 3.35Å; V366-C369 HydrophobicContact CG1-CB 3.76Å |
| 367 | E | 89 | Confident | 90.7 | Very high | 127 Ų | 127 | 60.3 Ų | 60.3 | 59% | 0.593 | 33% | 0.331 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.8 | -48.9 | -178.4 | -167.3 | -173.4 | 169.1 | 0 | 0 | 111.3 | S353 | S353-E367 VanDerWaalsContact CB-O 3.29Å; S353-E367 WeakPolarHBondContact CB-O 3.3Å |
| 368 | N | 87.4 | Confident | 90.9 | Very high | 120 Ų | 120 | 58.5 Ų | 58.5 | 64% | 0.642 | 32% | 0.319 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 125.6 | -178.4 | -63.8 | -66.8 | 0 | 0 | 0 | 110.4 | S352 | S352-N368 CarbonylContact O-C 3.55Å; S352-N368 WeakPolarHBondContact O-CA 3.48Å |
| 369 | C | 91.3 | Very high | 91.4 | Very high | 23 Ų | 23 | 58.2 Ų | 58.2 | 16% | 0.155 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 164.8 | 170.9 | 59.6 | 0 | 0 | 0 | 0 | 110.6 | S352 V366 | S352-C369 PolarHBondContact N-O 2.85Å; S352-C369 PolarHBondContact O-N 3.31Å; S352-C369 PolarHBondContact O-SG 3.46Å; V366-C369 HydrophobicContact CG1-CB 3.76Å |
| 370 | L | 91.7 | Very high | 92.3 | Very high | 118 Ų | 118 | 52.8 Ų | 52.8 | 62% | 0.618 | 28% | 0.278 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 119.5 | 173.6 | -68.3 | 175.3 | 0 | 0 | 0 | 108.4 | L349 | L349-L370 HydrophobicContact CB-CB 4.29Å; L349-L370 HydrophobicContact CD1-CB 4.37Å |
| 371 | L | 91.9 | Very high | 92.8 | Very high | 6 Ų | 6 | 50.9 Ų | 50.9 | 3% | 0.031 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 149.4 | 179.1 | -67.5 | 173.4 | 0 | 0 | 0 | 109.5 | Y315 P337 V339 F350 L354 L374 | Y315-L371 HydrophobicContact CD2-CD1 4.36Å; Y315-L371 HydrophobicContact CE2-CD1 4.34Å; P337-L371 HydrophobicContact CG-CD2 4.34Å; V339-L371 HydrophobicContact CG2-CD2 3.79Å; F350-L371 PolarHBondContact N-O 2.73Å; F350-L371 PolarHBondContact O-N 2.86Å; L354-L371 HydrophobicContact CD2-CD1 4.15Å; L371-L374 HydrophobicContact CD1-CD1 4.18Å |
| 372 | P | 93.1 | Very high | 93.2 | Very high | 5 Ų | 5 | 43.1 Ų | 43.1 | 3% | 0.032 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.6 | 167.8 | 163.9 | 29.4 | -34.6 | 0 | 0 | 0 | 110 | V339 Y343 L349 L374 | V339-P372 HydrophobicContact CG2-CG 4.21Å; Y343-P372 HydrophobicContact CD1-CG 4.17Å; Y343-P372 HydrophobicContact CE1-CG 4.45Å; Y343-P372 HydrophobicContact CG-CG 4.28Å; L349-P372 HydrophobicContact CD2-CB 4.4Å; P372-L374 HydrophobicContact CG-CD2 4.08Å; P372-L374 WeakPolarHBondContact O-CG 3.3Å; P372-L374 PolarHBondContact O-N 3.46Å; P372-L374 VanDerWaalsContact O-N 3.13Å |
| 373 | E | 93.5 | Very high | 93.4 | Very high | 112 Ų | 112 | 41.3 Ų | 41.3 | 52% | 0.523 | 22% | 0.222 | S | C | . | . | trans | -67.8 | 114.4 | 174.2 | -174.6 | 174.1 | -175.9 | 0 | 0 | 110.5 | K290 F313 F350 | K290-E373 VanDerWaalsContact NZ-CD 3.33Å; K290-E373 IonicContact NZ-OE1 2.66Å; K290-E373 PolarHBondContact NZ-OE1 3.31Å; F313-E373 HydrophobicContact CE1-CG 4.28Å; F313-E373 HydrophobicContact CE2-CB 4.09Å; F313-E373 HydrophobicContact CE2-CG 3.92Å; F313-E373 HydrophobicContact CZ-CB 4.29Å; F313-E373 HydrophobicContact CZ-CG 3.69Å; F350-E373 HydrophobicContact CD2-CB 4.25Å; F350-E373 HydrophobicContact CE2-CB 4Å | ||
| 374 | L | 94.6 | Very high | 93.5 | Very high | 7 Ų | 7 | 45.5 Ų | 45.5 | 4% | 0.037 | 25% | 0.245 | C | C | . | . | trans | -100 | 162 | -179.7 | -56.1 | 175.9 | 0 | 0 | 0 | 111.5 | I287 K290 Y315 V339 L371 P372 L380 | I287-L374 HydrophobicContact CD1-CB 3.64Å; I287-L374 HydrophobicContact CD1-CD1 3.56Å; I287-L374 HydrophobicContact CD1-CG 4.23Å; K290-L374 WeakPolarHBondContact CD-O 3.42Å; K290-L374 WeakPolarHBondContact CE-O 3.37Å; K290-L374 PolarHBondContact NZ-O 2.88Å; Y315-L374 HydrophobicContact CD1-CB 4.42Å; Y315-L374 HydrophobicContact CE1-CB 3.74Å; Y315-L374 HydrophobicContact CE2-CD1 4.46Å; Y315-L374 PolarHBondContact OH-N 2.92Å; V339-L374 HydrophobicContact CG1-CD2 3.73Å; V339-L374 HydrophobicContact CG2-CD1 4.23Å; V339-L374 HydrophobicContact CG2-CD2 4.13Å; L371-L374 HydrophobicContact CD1-CD1 4.18Å; P372-L374 HydrophobicContact CG-CD2 4.08Å; P372-L374 WeakPolarHBondContact O-CG 3.3Å; P372-L374 PolarHBondContact O-N 3.46Å; P372-L374 VanDerWaalsContact O-N 3.13Å; L374-L380 HydrophobicContact CD1-CD2 3.76Å | ||
| 375 | S | 95.4 | Very high | 93.6 | Very high | 66 Ų | 66 | 42.8 Ų | 42.8 | 46% | 0.462 | 23% | 0.232 | S | C | . | . | trans | -116.7 | 157.7 | 177.6 | -67.6 | 0 | 0 | 0 | 0 | 112.4 | G377 D378 | S375-G377 PolarHBondContact O-N 3.33Å; S375-D378 PolarHBondContact N-OD2 3.07Å; S375-D378 VanDerWaalsContact O-CB 3.27Å; S375-D378 WeakPolarHBondContact O-CB 3.44Å; S375-D378 VanDerWaalsContact O-CG 3.26Å; S375-D378 PolarHBondContact O-N 2.79Å; S375-D378 VanDerWaalsContact O-N 3.09Å | ||
| 376 | V | 96.6 | Very high | 93.6 | Very high | 90 Ų | 90 | 42.7 Ų | 42.7 | 55% | 0.545 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | 130.8 | 169.9 | 176 | 0 | 0 | 0 | 0 | 109.1 | K290 | K290-V376 HydrophobicContact CB-CG2 4.33Š|
| 377 | G | 94.9 | Very high | 93.6 | Very high | 9 Ų | 9 | 43.2 Ų | 43.2 | 9% | 0.093 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 96.9 | -5.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | K37 N286 I287 S375 | K37-G377 VanDerWaalsContact NZ-CA 3.34Å; K37-G377 PolarHBondContact NZ-O 3.5Å; N286-G377 VanDerWaalsContact ND2-C 3.25Å; N286-G377 PolarHBondContact ND2-O 3.32Å; N286-G377 WeakPolarHBondContact OD1-CA 3.39Å; I287-G377 PolarHBondContact O-N 2.69Å; S375-G377 PolarHBondContact O-N 3.33Å |
| 378 | D | 96.2 | Very high | 93.4 | Very high | 16 Ų | 16 | 38.9 Ų | 38.9 | 9% | 0.086 | 23% | 0.225 | C | C | . | . | trans | -76.8 | 155.3 | 173.7 | -65.9 | -9.5 | 0 | 0 | 0 | 111.5 | N286 I287 K341 S375 | N286-D378 PolarHBondContact ND2-O 2.88Å; I287-D378 HydrophobicContact CD1-CB 4.28Å; I287-D378 PolarHBondContact N-O 3.18Å; K341-D378 WeakPolarHBondContact CE-OD1 3.42Å; K341-D378 VanDerWaalsContact NZ-CG 3.29Å; K341-D378 IonicContact NZ-OD1 2.64Å; K341-D378 PolarHBondContact NZ-OD1 2.89Å; K341-D378 IonicContact NZ-OD2 2.57Å; K341-D378 PolarHBondContact NZ-OD2 3.39Å; S375-D378 PolarHBondContact N-OD2 3.07Å; S375-D378 VanDerWaalsContact O-CB 3.27Å; S375-D378 WeakPolarHBondContact O-CB 3.44Å; S375-D378 VanDerWaalsContact O-CG 3.26Å; S375-D378 PolarHBondContact O-N 2.79Å; S375-D378 VanDerWaalsContact O-N 3.09Å | ||
| 379 | W | 97.2 | Very high | 93.1 | Very high | 10 Ų | 10 | 33.4 Ų | 33.4 | 4% | 0.038 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 138.1 | -175.5 | -67.6 | 89.8 | 0 | 0 | 0 | 111.6 | I29 H32 T33 K37 R38 F40 A284 V285 N286 H340 | I29-W379 HydrophobicContact CD1-CB 3.81Å; I29-W379 HydrophobicContact CD1-CD2 4.13Å; I29-W379 HydrophobicContact CD1-CE3 4.44Å; I29-W379 HydrophobicContact CD1-CG 3.86Å; I29-W379 HydrophobicContact CG1-CB 4.43Å; I29-W379 HydrophobicContact CG1-CD2 3.78Å; I29-W379 HydrophobicContact CG1-CE3 4.1Å; I29-W379 HydrophobicContact CG1-CG 3.93Å; I29-W379 HydrophobicContact CG2-CD2 4.48Å; I29-W379 HydrophobicContact CG2-CG 4.15Å; H32-W379 HydrophobicContact CB-CH2 3.82Å; H32-W379 HydrophobicContact CB-CZ2 3.84Å; T33-W379 PolarHBondContact OG1-NE1 2.92Å; K37-W379 HydrophobicContact CB-CH2 4.4Å; K37-W379 HydrophobicContact CB-CZ2 4Å; K37-W379 HydrophobicContact CG-CZ2 4.15Å; R38-W379 WeakPolarHBondContact O-CH2 3.27Å; F40-W379 HydrophobicContact CD1-CH2 4.2Å; F40-W379 HydrophobicContact CD1-CZ3 4.04Å; F40-W379 HydrophobicContact CE1-CE3 4.42Å; F40-W379 AromaticContact CE1-CH2 3.99Å; F40-W379 HydrophobicContact CE1-CH2 3.99Å; F40-W379 AromaticContact CE1-CZ3 3.79Å; F40-W379 HydrophobicContact CE1-CZ3 3.79Å; A284-W379 HydrophobicContact CB-CE3 4.11Å; A284-W379 HydrophobicContact CB-CZ3 4.29Å; V285-W379 VanDerWaalsContact C-CE3 3.49Å; V285-W379 WeakPolarHBondContact O-CA 3.37Å; V285-W379 VanDerWaalsContact O-CE3 3.3Å; N286-W379 HydrophobicContact CB-CD2 4.31Å; N286-W379 HydrophobicContact CB-CE3 4.16Å; N286-W379 HydrophobicContact CB-CH2 4.29Å; N286-W379 HydrophobicContact CB-CZ2 4.43Å; N286-W379 HydrophobicContact CB-CZ3 4.15Å; N286-W379 PolarHBondContact ND2-NE1 2.8Å; H340-W379 HydrophobicContact CB-CB 4.01Å; H340-W379 PolarHBondContact N-O 2.9Å |
| 380 | L | 96.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 139.6 | 170 | -64.3 | 175.7 | 0 | 0 | 0 | 108.9 | V285 I287 I317 P337 E338 V339 L354 L374 F382 | V285-L380 HydrophobicContact CG2-CB 3.87Å; V285-L380 PolarHBondContact N-O 3.09Å; V285-L380 PolarHBondContact O-N 3.19Å; I287-L380 HydrophobicContact CD1-CD1 4.35Å; I287-L380 HydrophobicContact CD1-CG 4.42Å; I287-L380 HydrophobicContact CG1-CD1 4.34Å; I287-L380 HydrophobicContact CG1-CG 4.48Å; I317-L380 HydrophobicContact CG2-CD1 4.2Å; P337-L380 HydrophobicContact CB-CD1 4.47Å; E338-L380 CarbonylContact O-C 3.54Å; E338-L380 WeakPolarHBondContact O-CA 3.49Å; V339-L380 HydrophobicContact CG2-CD2 3.94Å; L354-L380 HydrophobicContact CD1-CD1 3.82Å; L354-L380 HydrophobicContact CD2-CD1 3.85Å; L374-L380 HydrophobicContact CD1-CD2 3.76Å; L380-F382 HydrophobicContact CB-CE2 3.92Å |
| 381 | I | 96.8 | Very high | 91.2 | Very high | 14 Ų | 14 | 29 Ų | 29 | 7% | 0.072 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 135.7 | -179.7 | -50.5 | -56.5 | 0 | 0 | 0 | 108.6 | I25 I29 T282 L283 A284 E338 H340 | I25-I381 HydrophobicContact CD1-CG2 4.49Å; I25-I381 HydrophobicContact CG2-CD1 3.71Å; I29-I381 HydrophobicContact CD1-CD1 3.89Å; T282-I381 HydrophobicContact CG2-CG2 3.29Å; L283-I381 CarbonylContact O-C 3.54Å; L283-I381 WeakPolarHBondContact O-CA 2.91Å; A284-I381 HydrophobicContact CB-CD1 3.71Å; E338-I381 HydrophobicContact CB-CB 4.37Å; E338-I381 PolarHBondContact N-O 3.21Å; E338-I381 PolarHBondContact O-N 3.47Å; H340-I381 HydrophobicContact CB-CD1 4.31Å; H340-I381 HydrophobicContact CB-CG1 4.09Å |
| 382 | F | 95.7 | Very high | 89.7 | Confident | 1 Ų | 1 | 36.2 Ų | 36.2 | 0% | 0.004 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 109.5 | 177.9 | -69.1 | -90.7 | 0 | 0 | 0 | 109.4 | T282 L283 V285 F325 P337 L354 L380 M385 | T282-F382 WeakPolarHBondContact CA-O 3.4Å; L283-F382 HydrophobicContact CB-CB 4.32Å; L283-F382 PolarHBondContact N-O 2.9Å; L283-F382 PolarHBondContact O-N 3.11Å; V285-F382 HydrophobicContact CG2-CD2 3.99Å; V285-F382 HydrophobicContact CG2-CE2 3.55Å; F325-F382 AromaticContact CE1-CD1 3.92Å; F325-F382 HydrophobicContact CE1-CD1 3.92Å; F325-F382 HydrophobicContact CE1-CD2 4.41Å; F325-F382 HydrophobicContact CE1-CE1 4Å; F325-F382 HydrophobicContact CE1-CG 4.09Å; F325-F382 HydrophobicContact CE1-CZ 4.28Å; F325-F382 HydrophobicContact CZ-CD1 4.22Å; F325-F382 AromaticContact CZ-CD2 3.88Å; F325-F382 HydrophobicContact CZ-CD2 3.88Å; F325-F382 HydrophobicContact CZ-CE1 4.24Å; F325-F382 AromaticContact CZ-CE2 3.94Å; F325-F382 HydrophobicContact CZ-CE2 3.94Å; F325-F382 HydrophobicContact CZ-CG 4Å; F325-F382 HydrophobicContact CZ-CZ 4.08Å; P337-F382 HydrophobicContact CB-CD1 4.5Å; P337-F382 HydrophobicContact CB-CE1 3.72Å; P337-F382 HydrophobicContact CB-CE2 4.39Å; P337-F382 HydrophobicContact CB-CZ 3.68Å; L354-F382 HydrophobicContact CD1-CZ 3.81Å; L380-F382 HydrophobicContact CB-CE2 3.92Å; F382-M385 HydrophobicContact CB-CG 3.65Å; F382-M385 HydrophobicContact CB-SD 4.38Å; F382-M385 VanDerWaalsContact O-CG 3.24Å; F382-M385 WeakPolarHBondContact O-CG 3.36Å |
| 383 | D | 93.9 | Very high | 88.1 | Confident | 64 Ų | 64 | 42.4 Ų | 42.4 | 34% | 0.342 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -78 | 165 | 173.4 | -80.5 | -21.2 | 0 | 0 | 0 | 112.4 | T282 M385 | T282-D383 WeakPolarHBondContact CG2-OD1 3.46Å; T282-D383 PolarHBondContact OG1-OD1 3.41Å; D383-M385 VanDerWaalsContact C-N 3.28Å; D383-M385 PolarHBondContact O-N 3.34Å |
| 384 | N | 92.9 | Very high | 86.6 | Confident | 91 Ų | 91 | 39 Ų | 39 | 49% | 0.487 | 23% | 0.233 | S | C | . | . | S | Bend | trans | 61 | 34 | 178.3 | -53.7 | -60.8 | 0 | 0 | 0 | 113.8 | S278 S279 F281 G386 | S278-N384 CarbonylContact O-C 3.6Å; S278-N384 WeakPolarHBondContact O-CA 3.32Å; S278-N384 PolarHBondContact OG-O 3.29Å; S279-N384 VanDerWaalsContact CA-OD1 3.3Å; S279-N384 WeakPolarHBondContact CA-OD1 3.29Å; S279-N384 WeakPolarHBondContact CB-OD1 3.34Å; F281-N384 PolarHBondContact O-N 3.08Å; N384-G386 PolarHBondContact O-N 2.91Å |
| 385 | M | 93.7 | Very high | 85 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 27% | 0.274 | C | S | . | . | trans | -98.6 | 30 | -173.9 | -71.8 | -64.3 | -73.8 | 0 | 0 | 112.8 | Y41 S278 F281 L283 S324 F325 T335 F382 D383 T389 | Y41-M385 HydrophobicContact CE1-CB 3.78Å; Y41-M385 VanDerWaalsContact CE1-O 3.23Å; Y41-M385 WeakPolarHBondContact CE1-O 3.49Å; S278-M385 PolarHBondContact O-N 2.94Å; F281-M385 PolarHBondContact O-N 3.29Å; L283-M385 HydrophobicContact CB-CB 3.92Å; L283-M385 HydrophobicContact CB-CG 3.98Å; L283-M385 HydrophobicContact CD2-CE 3.73Å; S324-M385 WeakPolarHBondContact O-CE 3.49Å; F325-M385 HydrophobicContact CD1-CE 3.65Å; F325-M385 HydrophobicContact CE1-CE 3.49Å; F325-M385 VanDerWaalsContact CE1-CE 3.49Å; F325-M385 HydrophobicContact CE1-SD 4.25Å; F325-M385 HydrophobicContact CE2-CE 4.44Å; F325-M385 HydrophobicContact CG-CE 4.22Å; F325-M385 HydrophobicContact CZ-CE 3.93Å; T335-M385 HydrophobicContact CG2-SD 3.62Å; F382-M385 HydrophobicContact CB-CG 3.65Å; F382-M385 HydrophobicContact CB-SD 4.38Å; F382-M385 VanDerWaalsContact O-CG 3.24Å; F382-M385 WeakPolarHBondContact O-CG 3.36Å; D383-M385 VanDerWaalsContact C-N 3.28Å; D383-M385 PolarHBondContact O-N 3.34Å; M385-T389 HydrophobicContact CB-CG2 4.34Å; M385-T389 HydrophobicContact CE-CG2 3.7Å; M385-T389 WeakPolarHBondContact O-CB 3.39Å; M385-T389 WeakPolarHBondContact O-CG2 3.31Å; M385-T389 PolarHBondContact O-OG1 3.32Å; M385-T389 HydrophobicContact SD-CG2 4.04Å | ||
| 386 | G | 92.5 | Very high | 83.5 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 27% | 0.268 | C | S | . | . | trans | -99.1 | -8.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 117 | N71 V277 S278 N384 | N71-G386 WeakPolarHBondContact CB-O 3.24Å; N71-G386 PolarHBondContact ND2-O 3.47Å; V277-G386 WeakPolarHBondContact CG2-O 3.4Å; V277-G386 WeakPolarHBondContact O-CA 3.42Å; S278-G386 PolarHBondContact O-N 2.92Å; S278-G386 VanDerWaalsContact O-N 3.09Å; N384-G386 PolarHBondContact O-N 2.91Å | ||
| 387 | S | 90.4 | Very high | 81.5 | Confident | 28 Ų | 28 | 46.7 Ų | 46.7 | 20% | 0.196 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -120.3 | 124.6 | -178.3 | -176.8 | 0 | 0 | 0 | 0 | 111.8 | C70 C274 T389 | C70-S387 CarbonylContact O-C 3.51Å; C70-S387 WeakPolarHBondContact O-CA 3.33Å; C274-S387 WeakPolarHBondContact CB-OG 3.47Å; S387-T389 PolarHBondContact O-N 3.39Å |
| 388 | G | 84.2 | Confident | 80.1 | Confident | 36 Ų | 36 | 53.5 Ų | 53.5 | 37% | 0.371 | 30% | 0.302 | S | S | . | . | S | Bend | trans | 73.1 | 13 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | C70 | C70-G388 PolarHBondContact O-N 2.87Š|
| 389 | T | 81.5 | Confident | 78.5 | Confident | 5 Ų | 5 | 54.3 Ų | 54.3 | 3% | 0.031 | 30% | 0.304 | C | S | . | . | trans | -109 | -36.3 | -175.3 | 57.2 | 0 | 0 | 0 | 0 | 111.7 | Y41 S324 M385 S387 G391 | Y41-T389 VanDerWaalsContact OH-CB 3.27Å; Y41-T389 WeakPolarHBondContact OH-CB 3.46Å; Y41-T389 PolarHBondContact OH-OG1 3.49Å; S324-T389 WeakPolarHBondContact CA-O 3.32Å; S324-T389 VanDerWaalsContact O-CA 3.3Å; S324-T389 WeakPolarHBondContact O-CA 3.35Å; S324-T389 WeakPolarHBondContact O-CB 3.29Å; S324-T389 VanDerWaalsContact O-CG2 3.22Å; S324-T389 WeakPolarHBondContact O-CG2 3.26Å; M385-T389 HydrophobicContact CB-CG2 4.34Å; M385-T389 HydrophobicContact CE-CG2 3.7Å; M385-T389 WeakPolarHBondContact O-CB 3.39Å; M385-T389 WeakPolarHBondContact O-CG2 3.31Å; M385-T389 PolarHBondContact O-OG1 3.32Å; M385-T389 HydrophobicContact SD-CG2 4.04Å; S387-T389 PolarHBondContact O-N 3.39Å; T389-G391 VanDerWaalsContact C-N 3.27Å; T389-G391 PolarHBondContact O-N 3.24Å | ||
| 390 | L | 77.1 | Confident | 77.3 | Confident | 6 Ų | 6 | 59.4 Ų | 59.4 | 3% | 0.031 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -89.4 | 57 | -178.3 | -72 | 161.2 | 0 | 0 | 0 | 111.4 | Y41 N71 T73 F281 R401 I404 | Y41-L390 HydrophobicContact CD2-CD2 3.62Å; Y41-L390 HydrophobicContact CD2-CG 4.44Å; Y41-L390 HydrophobicContact CE2-CD2 3.41Å; Y41-L390 VanDerWaalsContact CE2-CD2 3.41Å; Y41-L390 HydrophobicContact CE2-CG 4.03Å; Y41-L390 HydrophobicContact CG-CD2 4.41Å; N71-L390 VanDerWaalsContact ND2-CD1 3.31Å; N71-L390 WeakPolarHBondContact ND2-CD1 3.19Å; T73-L390 HydrophobicContact CG2-CB 4.34Å; T73-L390 HydrophobicContact CG2-CD1 3.99Å; F281-L390 HydrophobicContact CD1-CD1 4.13Å; F281-L390 HydrophobicContact CE1-CD1 4.11Å; L390-R401 VanDerWaalsContact C-NH2 3.35Å; L390-R401 PolarHBondContact O-NH2 3.08Å; L390-I404 HydrophobicContact CD1-CD1 4.23Å; L390-I404 HydrophobicContact CD2-CD1 3.74Å; L390-I404 HydrophobicContact CD2-CG1 4.31Å |
| 391 | G | 65.5 | Low | 76.6 | Confident | 44 Ų | 44 | 62.5 Ų | 62.5 | 45% | 0.454 | 34% | 0.34 | S | S | . | . | P | Polyproline II helix | trans | -68.8 | 166.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | T389 R401 | T389-G391 VanDerWaalsContact C-N 3.27Å; T389-G391 PolarHBondContact O-N 3.24Å; G391-R401 PolarHBondContact O-NE 2.78Å; G391-R401 PolarHBondContact O-NH2 2.9Å |
| 392 | E | 61.8 | Low | 76.2 | Confident | 156 Ų | 156 | 62.2 Ų | 62.2 | 73% | 0.729 | 34% | 0.339 | S | S | * | . | P | Polyproline II helix | trans | -59.8 | 148.9 | 171.1 | -68.4 | -176.2 | 174.7 | 0 | 0 | 110.4 | S394 | E392-S394 PolarHBondContact O-N 2.8Å; E392-S394 VanDerWaalsContact O-N 3.08Å |
| 393 | Q | 59.1 | Low | 76 | Confident | 136 Ų | 136 | 65.4 Ų | 65.4 | 64% | 0.636 | 36% | 0.356 | S | S | * | . | P | Polyproline II helix | trans | -56 | 118.8 | 177.7 | -87.2 | 178.5 | -7.7 | 0 | 0 | 110.1 | R401 | Q393-R401 HydrophobicContact CG-CB 3.94Š|
| 394 | S | 61.6 | Low | 75.9 | Confident | 40 Ų | 40 | 64.4 Ų | 64.4 | 28% | 0.28 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -79.5 | 141.4 | 167.3 | 74.6 | 0 | 0 | 0 | 0 | 108.5 | Y322 E392 F396 | Y322-S394 PolarHBondContact O-OG 3.45Å; Y322-S394 VanDerWaalsContact O-OG 3.06Å; E392-S394 PolarHBondContact O-N 2.8Å; E392-S394 VanDerWaalsContact O-N 3.08Å; S394-F396 PolarHBondContact O-N 3.02Å |
| 395 | T | 61.2 | Low | 75.9 | Confident | 145 Ų | 145 | 63.5 Ų | 63.5 | 89% | 0.89 | 34% | 0.34 | S | S | * | . | trans | -77.3 | 3 | 172 | 48 | 0 | 0 | 0 | 0 | 112.2 | N397 | T395-N397 PolarHBondContact O-N 2.81Š| ||
| 396 | F | 63.2 | Low | 75.8 | Confident | 79 Ų | 79 | 64.5 Ų | 64.5 | 35% | 0.346 | 34% | 0.344 | S | S | . | . | G | 310 helix | trans | -71.1 | 115.2 | -179.2 | -165.1 | -101.9 | 0 | 0 | 0 | 109.1 | Y322 S394 D398 | Y322-F396 AromaticContact CD1-CD1 3.75Å; Y322-F396 HydrophobicContact CD1-CD1 3.75Å; Y322-F396 AromaticContact CD1-CE1 3.88Å; Y322-F396 HydrophobicContact CD1-CE1 3.88Å; Y322-F396 HydrophobicContact CD1-CG 4.26Å; Y322-F396 AromaticContact CD2-CD1 3.65Å; Y322-F396 HydrophobicContact CD2-CD1 3.65Å; Y322-F396 AromaticContact CD2-CE1 3.4Å; Y322-F396 HydrophobicContact CD2-CE1 3.4Å; Y322-F396 VanDerWaalsContact CD2-CE1 3.4Å; Y322-F396 HydrophobicContact CD2-CZ 4.44Å; Y322-F396 HydrophobicContact CE1-CD1 4.22Å; Y322-F396 AromaticContact CE1-CE1 3.91Å; Y322-F396 HydrophobicContact CE1-CE1 3.91Å; Y322-F396 HydrophobicContact CE1-CZ 4.17Å; Y322-F396 HydrophobicContact CE2-CD1 4.14Å; Y322-F396 AromaticContact CE2-CE1 3.43Å; Y322-F396 HydrophobicContact CE2-CE1 3.43Å; Y322-F396 VanDerWaalsContact CE2-CE1 3.43Å; Y322-F396 HydrophobicContact CE2-CZ 4.11Å; Y322-F396 AromaticContact CG-CD1 3.42Å; Y322-F396 HydrophobicContact CG-CD1 3.42Å; Y322-F396 VanDerWaalsContact CG-CD1 3.42Å; Y322-F396 AromaticContact CG-CE1 3.62Å; Y322-F396 HydrophobicContact CG-CE1 3.62Å; Y322-F396 HydrophobicContact CG-CG 4.29Å; Y322-F396 AromaticContact CZ-CE1 3.69Å; Y322-F396 AromaticContact CZ-CZ 3.95Å; S394-F396 PolarHBondContact O-N 3.02Å; F396-D398 PolarHBondContact O-N 2.92Å |
| 397 | N | 55.5 | Low | 75.8 | Confident | 101 Ų | 101 | 64.9 Ų | 64.9 | 54% | 0.54 | 35% | 0.346 | S | S | . | . | G | 310 helix | trans | 57.6 | 34.7 | 177.8 | -70.1 | -18.5 | 0 | 0 | 0 | 117.1 | S358 T395 Y399 | S358-N397 VanDerWaalsContact CA-ND2 3.32Å; S358-N397 WeakPolarHBondContact CA-ND2 3.47Å; S358-N397 WeakPolarHBondContact CB-ND2 3.3Å; S358-N397 PolarHBondContact O-ND2 2.85Å; T395-N397 PolarHBondContact O-N 2.81Å; N397-Y399 PolarHBondContact O-N 3.34Å; N397-Y399 VanDerWaalsContact O-N 3.13Å |
| 398 | D | 64.5 | Low | 75.8 | Confident | 151 Ų | 151 | 63.6 Ų | 63.6 | 81% | 0.807 | 34% | 0.337 | S | S | * | . | G | 310 helix | trans | 57 | 30.4 | 175 | -143.8 | 14.6 | 0 | 0 | 0 | 112.6 | F396 Q400 | F396-D398 PolarHBondContact O-N 2.92Å; D398-Q400 PolarHBondContact O-N 2.88Å; D398-Q400 VanDerWaalsContact O-N 3.14Å |
| 399 | Y | 63.9 | Low | 76.1 | Confident | 34 Ų | 34 | 63.5 Ų | 63.5 | 13% | 0.133 | 33% | 0.331 | C | S | . | . | trans | -61.4 | 115 | -178.3 | 177.8 | -100.3 | 0 | 0 | 0 | 110.8 | D319 G323 S324 N397 P402 | D319-Y399 HydrophobicContact CB-CE2 4.42Å; D319-Y399 WeakPolarHBondContact OD1-CE2 3.21Å; D319-Y399 PolarHBondContact OD1-OH 3.38Å; D319-Y399 PolarHBondContact OD2-OH 3.19Å; G323-Y399 VanDerWaalsContact CA-CZ 3.47Å; S324-Y399 PolarHBondContact N-OH 2.9Å; S324-Y399 PolarHBondContact OG-OH 2.82Å; N397-Y399 PolarHBondContact O-N 3.34Å; N397-Y399 VanDerWaalsContact O-N 3.13Å; Y399-P402 WeakPolarHBondContact OH-CD 3.49Å | ||
| 400 | Q | 71.4 | Confident | 76.3 | Confident | 116 Ų | 116 | 67.5 Ų | 67.5 | 54% | 0.542 | 35% | 0.348 | S | S | . | . | P | Polyproline II helix | trans | -88.5 | 122 | 171.5 | -67.3 | -168.1 | -8.8 | 0 | 0 | 109.6 | D398 | D398-Q400 PolarHBondContact O-N 2.88Å; D398-Q400 VanDerWaalsContact O-N 3.14Å |
| 401 | R | 81.6 | Confident | 76.8 | Confident | 66 Ų | 66 | 69 Ų | 69 | 25% | 0.249 | 36% | 0.364 | C | S | . | . | P | Polyproline II helix | trans | -49.4 | 132.7 | 172.8 | -167.5 | -172.8 | -121.9 | -164.1 | -1.3 | 110.5 | L390 G391 Q393 | L390-R401 VanDerWaalsContact C-NH2 3.35Å; L390-R401 PolarHBondContact O-NH2 3.08Å; G391-R401 PolarHBondContact O-NE 2.78Å; G391-R401 PolarHBondContact O-NH2 2.9Å; Q393-R401 HydrophobicContact CG-CB 3.94Å |
| 402 | P | 89.6 | Confident | 77.9 | Confident | 7 Ų | 7 | 67.3 Ų | 67.3 | 5% | 0.045 | 35% | 0.345 | C | S | . | . | P | Polyproline II helix | trans | -53.3 | 143.3 | 171.8 | -29.8 | 35.7 | 0 | 0 | 0 | 111.3 | A39 Y41 L283 D319 Y399 | A39-P402 HydrophobicContact CB-CB 4.25Å; A39-P402 HydrophobicContact CB-CG 4.02Å; A39-P402 WeakPolarHBondContact O-CA 3.47Å; A39-P402 WeakPolarHBondContact O-CB 3.25Å; Y41-P402 HydrophobicContact CD2-CB 3.82Å; Y41-P402 HydrophobicContact CD2-CG 4.47Å; Y41-P402 HydrophobicContact CE2-CB 4.03Å; Y41-P402 HydrophobicContact CE2-CG 4.18Å; L283-P402 HydrophobicContact CD1-CB 4.38Å; L283-P402 HydrophobicContact CD1-CG 4.31Å; D319-P402 WeakPolarHBondContact OD2-CG 3.33Å; Y399-P402 WeakPolarHBondContact OH-CD 3.49Å |
| 403 | L | 90.6 | Very high | 79.1 | Confident | 69 Ų | 69 | 61.4 Ų | 61.4 | 36% | 0.361 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 153.4 | 172.4 | -67.2 | 170.3 | 0 | 0 | 0 | 109.6 | A39 F40 Y41 Y405 | A39-L403 PolarHBondContact O-N 2.98Å; F40-L403 CarbonylContact C-O 3.46Å; F40-L403 WeakPolarHBondContact CA-O 3.44Å; F40-L403 HydrophobicContact CB-CB 4.37Å; Y41-L403 PolarHBondContact N-O 3.34Å; L403-Y405 HydrophobicContact CB-CE2 4.09Å |
| 404 | I | 92.1 | Very high | 80.3 | Confident | 43 Ų | 43 | 58.1 Ų | 58.1 | 22% | 0.221 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 119.7 | 178.5 | -50.3 | 179.1 | 0 | 0 | 0 | 108.2 | Y41 T73 F281 L390 Y406 | Y41-I404 HydrophobicContact CD2-CG1 4.48Å; T73-I404 HydrophobicContact CG2-CD1 3.57Å; F281-I404 HydrophobicContact CE1-CG2 4.01Å; L390-I404 HydrophobicContact CD1-CD1 4.23Å; L390-I404 HydrophobicContact CD2-CD1 3.74Å; L390-I404 HydrophobicContact CD2-CG1 4.31Å; I404-Y406 HydrophobicContact CG2-CD1 4.13Å; I404-Y406 HydrophobicContact CG2-CE1 3.65Å; I404-Y406 HydrophobicContact CG2-CE2 4.08Å |
| 405 | Y | 92.4 | Very high | 81.5 | Confident | 72 Ų | 72 | 60.5 Ų | 60.5 | 28% | 0.282 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 122.1 | 171.8 | -62.9 | -85 | 0 | 0 | 0 | 108.5 | H32 F40 Y41 V42 G43 L403 | H32-Y405 AromaticContact NE2-CE2 3.56Å; H32-Y405 AromaticContact NE2-CZ 3.6Å; H32-Y405 PolarHBondContact NE2-OH 3.02Å; F40-Y405 HydrophobicContact CB-CD2 4.13Å; F40-Y405 HydrophobicContact CB-CE2 3.83Å; F40-Y405 AromaticContact CD2-CD2 3.89Å; F40-Y405 HydrophobicContact CD2-CD2 3.89Å; F40-Y405 HydrophobicContact CD2-CE2 4.12Å; F40-Y405 HydrophobicContact CG-CD2 4.27Å; F40-Y405 HydrophobicContact CG-CE2 4.07Å; Y41-Y405 PolarHBondContact O-N 3.3Å; V42-Y405 CarbonylContact C-O 3.6Å; V42-Y405 WeakPolarHBondContact CA-O 3.49Å; G43-Y405 PolarHBondContact N-O 3.26Å; L403-Y405 HydrophobicContact CB-CE2 4.09Å |
| 406 | Y | 92.4 | Very high | 82.6 | Confident | 21 Ų | 21 | 53.7 Ų | 53.7 | 8% | 0.082 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 139.3 | 176.7 | -65.9 | -65.1 | 0 | 0 | 0 | 110.8 | Y10 G13 G43 L45 T73 F281 I404 | Y10-Y406 HydrophobicContact CD1-CE2 4.3Å; G13-Y406 PolarHBondContact N-O 3.08Å; G43-Y406 WeakPolarHBondContact O-CA 3.42Å; L45-Y406 HydrophobicContact CD1-CD1 3.95Å; L45-Y406 HydrophobicContact CD1-CG 3.98Å; L45-Y406 HydrophobicContact CD2-CD1 3.62Å; L45-Y406 HydrophobicContact CD2-CE1 3.94Å; L45-Y406 HydrophobicContact CD2-CG 4.48Å; L45-Y406 HydrophobicContact CG-CD1 3.87Å; L45-Y406 HydrophobicContact CG-CG 4.35Å; T73-Y406 WeakPolarHBondContact CB-OH 3.45Å; T73-Y406 PolarHBondContact OG1-OH 3.27Å; F281-Y406 AromaticContact CE1-CE1 3.93Å; F281-Y406 HydrophobicContact CE1-CE1 3.93Å; F281-Y406 HydrophobicContact CZ-CE1 4.02Å; I404-Y406 HydrophobicContact CG2-CD1 4.13Å; I404-Y406 HydrophobicContact CG2-CE1 3.65Å; I404-Y406 HydrophobicContact CG2-CE2 4.08Å |
| 407 | M | 92.1 | Very high | 83.7 | Confident | 7 Ų | 7 | 54 Ų | 54 | 3% | 0.034 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 157.1 | 173.7 | 60.3 | 124.6 | -65.3 | 0 | 0 | 111.1 | G13 L15 L21 V42 G43 D44 L45 | G13-M407 VanDerWaalsContact O-CA 3.3Å; G13-M407 WeakPolarHBondContact O-CA 3.26Å; L15-M407 HydrophobicContact CD1-CB 4.42Å; L15-M407 HydrophobicContact CD1-CE 3.66Å; L15-M407 HydrophobicContact CD1-SD 3.53Å; L15-M407 VanDerWaalsContact CD1-SD 3.53Å; L15-M407 HydrophobicContact CG-CB 4.36Å; L15-M407 HydrophobicContact CG-CE 4.29Å; L15-M407 HydrophobicContact CG-SD 4.43Å; L21-M407 HydrophobicContact CD1-SD 4.06Å; V42-M407 HydrophobicContact CG1-CG 3.9Å; G43-M407 PolarHBondContact O-N 3.09Å; D44-M407 HydrophobicContact CB-CE 4Å; D44-M407 HydrophobicContact CB-CG 4.37Å; D44-M407 HydrophobicContact CB-SD 4.04Å; D44-M407 WeakPolarHBondContact OD1-CE 3.28Å; L45-M407 PolarHBondContact N-O 2.92Å |
| 408 | I | 90.7 | Very high | 85.1 | Confident | 2 Ų | 2 | 55.6 Ų | 55.6 | 1% | 0.01 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 142.7 | 167.3 | -167.3 | 166.3 | 0 | 0 | 0 | 109 | I12 G13 L14 L15 D412 W413 M416 F432 | I12-I408 HydrophobicContact CG2-CB 4.15Å; I12-I408 HydrophobicContact CG2-CG2 3.69Å; G13-I408 PolarHBondContact O-N 2.72Å; L14-I408 HydrophobicContact CD1-CG2 3.74Å; L15-I408 PolarHBondContact N-O 3.38Å; I408-D412 HydrophobicContact CD1-CB 4.24Å; I408-D412 HydrophobicContact CG1-CB 3.9Å; I408-W413 HydrophobicContact CD1-CB 4.13Å; I408-W413 HydrophobicContact CD1-CE3 4.38Å; I408-W413 HydrophobicContact CG1-CB 4.32Å; I408-W413 HydrophobicContact CG2-CB 4.16Å; I408-M416 HydrophobicContact CD1-SD 3.32Å; I408-M416 WeakPolarHBondContact CD1-SD 3.37Å; I408-F432 HydrophobicContact CG2-CD1 4.02Å; I408-F432 HydrophobicContact CG2-CE1 3.91Å |
| 409 | S | 90.1 | Very high | 85.8 | Confident | 34 Ų | 34 | 51.5 Ų | 51.5 | 24% | 0.238 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 151.2 | 173 | 73 | 0 | 0 | 0 | 0 | 110.9 | G411 D412 W413 | S409-G411 VanDerWaalsContact C-N 3.26Å; S409-G411 PolarHBondContact O-N 3.49Å; S409-D412 PolarHBondContact O-N 3.03Å; S409-D412 WeakPolarHBondContact OG-CB 3.46Å; S409-D412 PolarHBondContact OG-N 3.17Å; S409-D412 VanDerWaalsContact OG-N 3.16Å; S409-D412 PolarHBondContact OG-OD1 3.43Å; S409-D412 PolarHBondContact OG-OD2 2.87Å; S409-W413 WeakPolarHBondContact O-CB 3.41Å; S409-W413 PolarHBondContact O-N 3.43Å |
| 410 | F | 86.7 | Confident | 86.7 | Confident | 88 Ų | 88 | 51.4 Ų | 51.4 | 39% | 0.386 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -55.5 | -42.5 | 175.2 | -173.1 | -90 | 0 | 0 | 0 | 112.3 | L14 L15 W413 D414 | L14-F410 HydrophobicContact CD1-CD2 4.48Å; L14-F410 HydrophobicContact CD2-CD2 3.94Å; L14-F410 HydrophobicContact CD2-CE2 4.43Å; L14-F410 HydrophobicContact CG-CD2 4.3Å; L15-F410 WeakPolarHBondContact O-CB 3.48Å; L15-F410 PolarHBondContact O-N 3.32Å; F410-W413 PolarHBondContact O-N 2.57Å; F410-D414 WeakPolarHBondContact O-CB 3.37Å; F410-D414 PolarHBondContact O-N 2.86Å |
| 411 | G | 86.6 | Confident | 87.2 | Confident | 37 Ų | 37 | 47 Ų | 47 | 38% | 0.381 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -61 | -46.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | S409 W413 D414 E415 | S409-G411 VanDerWaalsContact C-N 3.26Å; S409-G411 PolarHBondContact O-N 3.49Å; G411-W413 VanDerWaalsContact C-N 3.29Å; G411-W413 PolarHBondContact O-N 3.09Å; G411-D414 PolarHBondContact O-N 2.8Å; G411-E415 WeakPolarHBondContact O-CG 3.4Å; G411-E415 PolarHBondContact O-N 2.84Å |
| 412 | D | 88.6 | Confident | 87.1 | Confident | 10 Ų | 10 | 45.8 Ų | 45.8 | 5% | 0.053 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -67.1 | -34.5 | 179.3 | -62.3 | -18.8 | 0 | 0 | 0 | 111.8 | K50 I408 S409 M416 | K50-D412 WeakPolarHBondContact CE-OD1 3.29Å; K50-D412 IonicContact NZ-OD1 3.03Å; K50-D412 PolarHBondContact NZ-OD1 3.35Å; K50-D412 IonicContact NZ-OD2 2.62Å; K50-D412 PolarHBondContact NZ-OD2 3.45Å; I408-D412 HydrophobicContact CD1-CB 4.24Å; I408-D412 HydrophobicContact CG1-CB 3.9Å; S409-D412 PolarHBondContact O-N 3.03Å; S409-D412 WeakPolarHBondContact OG-CB 3.46Å; S409-D412 PolarHBondContact OG-N 3.17Å; S409-D412 VanDerWaalsContact OG-N 3.16Å; S409-D412 PolarHBondContact OG-OD1 3.43Å; S409-D412 PolarHBondContact OG-OD2 2.87Å; D412-M416 VanDerWaalsContact O-CG 3.29Å; D412-M416 WeakPolarHBondContact O-CG 3.5Å; D412-M416 PolarHBondContact O-N 3.01Å |
| 413 | W | 86.8 | Confident | 86.6 | Confident | 31 Ų | 31 | 50.2 Ų | 50.2 | 12% | 0.117 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -66.7 | -43.6 | 175.2 | 173.3 | -113.6 | 0 | 0 | 0 | 112.2 | L14 I408 S409 F410 G411 M416 Q417 T422 F432 | L14-W413 HydrophobicContact CD1-CB 3.59Å; L14-W413 HydrophobicContact CD1-CG 3.69Å; I408-W413 HydrophobicContact CD1-CB 4.13Å; I408-W413 HydrophobicContact CD1-CE3 4.38Å; I408-W413 HydrophobicContact CG1-CB 4.32Å; I408-W413 HydrophobicContact CG2-CB 4.16Å; S409-W413 WeakPolarHBondContact O-CB 3.41Å; S409-W413 PolarHBondContact O-N 3.43Å; F410-W413 PolarHBondContact O-N 2.57Å; G411-W413 VanDerWaalsContact C-N 3.29Å; G411-W413 PolarHBondContact O-N 3.09Å; W413-M416 HydrophobicContact CE3-SD 4.44Å; W413-M416 WeakPolarHBondContact O-CB 3.48Å; W413-M416 PolarHBondContact O-N 3.24Å; W413-Q417 HydrophobicContact CD2-CG 4.44Å; W413-Q417 HydrophobicContact CZ2-CG 4.22Å; W413-Q417 WeakPolarHBondContact O-CG 3.44Å; W413-Q417 PolarHBondContact O-N 2.89Å; W413-T422 HydrophobicContact CE3-CG2 3.88Å; W413-T422 HydrophobicContact CH2-CG2 3.36Å; W413-T422 HydrophobicContact CZ2-CG2 4.13Å; W413-T422 HydrophobicContact CZ3-CG2 3.2Å; W413-F432 HydrophobicContact CD2-CD1 4.12Å; W413-F432 HydrophobicContact CD2-CE1 4.11Å; W413-F432 AromaticContact CE3-CD1 3.92Å; W413-F432 HydrophobicContact CE3-CD1 3.92Å; W413-F432 AromaticContact CE3-CE1 3.44Å; W413-F432 HydrophobicContact CE3-CE1 3.44Å; W413-F432 VanDerWaalsContact CE3-CE1 3.44Å; W413-F432 HydrophobicContact CE3-CE2 4.15Å; W413-F432 HydrophobicContact CE3-CG 4.45Å; W413-F432 AromaticContact CE3-CZ 3.6Å; W413-F432 HydrophobicContact CE3-CZ 3.6Å; W413-F432 HydrophobicContact CH2-CD1 4.18Å; W413-F432 AromaticContact CH2-CD2 3.35Å; W413-F432 HydrophobicContact CH2-CD2 3.35Å; W413-F432 AromaticContact CH2-CE1 3.96Å; W413-F432 HydrophobicContact CH2-CE1 3.96Å; W413-F432 AromaticContact CH2-CE2 3.11Å; W413-F432 HydrophobicContact CH2-CE2 3.11Å; W413-F432 AromaticContact CH2-CG 3.91Å; W413-F432 HydrophobicContact CH2-CG 3.91Å; W413-F432 AromaticContact CH2-CZ 3.46Å; W413-F432 HydrophobicContact CH2-CZ 3.46Å; W413-F432 VanDerWaalsContact CH2-CZ 3.46Å; W413-F432 HydrophobicContact CZ2-CD1 4.36Å; W413-F432 AromaticContact CZ2-CD2 3.73Å; W413-F432 HydrophobicContact CZ2-CD2 3.73Å; W413-F432 AromaticContact CZ2-CE2 3.98Å; W413-F432 HydrophobicContact CZ2-CE2 3.98Å; W413-F432 AromaticContact CZ2-CG 3.96Å; W413-F432 HydrophobicContact CZ2-CG 3.96Å; W413-F432 HydrophobicContact CZ2-CZ 4.39Å; W413-F432 AromaticContact CZ3-CD1 3.96Å; W413-F432 HydrophobicContact CZ3-CD1 3.96Å; W413-F432 AromaticContact CZ3-CD2 3.82Å; W413-F432 HydrophobicContact CZ3-CD2 3.82Å; W413-F432 AromaticContact CZ3-CE1 3.36Å; W413-F432 HydrophobicContact CZ3-CE1 3.36Å; W413-F432 AromaticContact CZ3-CE2 3.23Å; W413-F432 HydrophobicContact CZ3-CE2 3.23Å; W413-F432 HydrophobicContact CZ3-CG 4.16Å; W413-F432 AromaticContact CZ3-CZ 2.97Å; W413-F432 HydrophobicContact CZ3-CZ 2.97Å |
| 414 | D | 85.9 | Confident | 86.3 | Confident | 68 Ų | 68 | 49.9 Ų | 49.9 | 36% | 0.364 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -60.5 | -45.7 | 175.3 | -164.7 | 59.5 | 0 | 0 | 0 | 110.7 | F410 G411 M416 Q417 D418 | F410-D414 WeakPolarHBondContact O-CB 3.37Å; F410-D414 PolarHBondContact O-N 2.86Å; G411-D414 PolarHBondContact O-N 2.8Å; D414-M416 VanDerWaalsContact C-N 3.3Å; D414-M416 PolarHBondContact O-N 3.45Å; D414-Q417 WeakPolarHBondContact O-CB 3.44Å; D414-Q417 PolarHBondContact O-N 2.64Å; D414-D418 PolarHBondContact O-N 3.04Å |
| 415 | E | 85.7 | Confident | 85.7 | Confident | 90 Ų | 90 | 53.3 Ų | 53.3 | 42% | 0.421 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -58.9 | -39.6 | 173.7 | -72.9 | -177.8 | -168.1 | 0 | 0 | 112.6 | G411 Q417 A419 | G411-E415 WeakPolarHBondContact O-CG 3.4Å; G411-E415 PolarHBondContact O-N 2.84Å; E415-Q417 VanDerWaalsContact C-N 3.35Å; E415-A419 WeakPolarHBondContact O-CB 3.14Å; E415-A419 PolarHBondContact O-N 3.3Å |
| 416 | M | 85.3 | Confident | 85.1 | Confident | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.005 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65 | -37.8 | 174.3 | -74.5 | 177.6 | 76.7 | 0 | 0 | 112.4 | V49 I408 D412 W413 D414 G420 I421 T422 M427 | V49-M416 HydrophobicContact CG1-CG 4.16Å; V49-M416 HydrophobicContact CG2-CE 4.07Å; V49-M416 HydrophobicContact CG2-CG 3.88Å; V49-M416 HydrophobicContact CG2-SD 3.72Å; I408-M416 HydrophobicContact CD1-SD 3.32Å; I408-M416 WeakPolarHBondContact CD1-SD 3.37Å; D412-M416 VanDerWaalsContact O-CG 3.29Å; D412-M416 WeakPolarHBondContact O-CG 3.5Å; D412-M416 PolarHBondContact O-N 3.01Å; W413-M416 HydrophobicContact CE3-SD 4.44Å; W413-M416 WeakPolarHBondContact O-CB 3.48Å; W413-M416 PolarHBondContact O-N 3.24Å; D414-M416 VanDerWaalsContact C-N 3.3Å; D414-M416 PolarHBondContact O-N 3.45Å; M416-G420 PolarHBondContact O-N 2.94Å; M416-I421 HydrophobicContact CB-CB 4.41Å; M416-I421 HydrophobicContact CE-CG2 3.69Å; M416-I421 HydrophobicContact CG-CD1 4.4Å; M416-I421 WeakPolarHBondContact O-CB 3.46Å; M416-I421 PolarHBondContact O-N 2.84Å; M416-T422 HydrophobicContact CB-CG2 3.92Å; M416-M427 HydrophobicContact CE-CE 3.89Å |
| 417 | Q | 85.4 | Confident | 84.6 | Confident | 86 Ų | 86 | 50.8 Ų | 50.8 | 40% | 0.402 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -66.7 | -46.3 | 176.9 | -70.6 | -169.7 | 0.6 | 0 | 0 | 111.3 | W413 D414 E415 A419 G420 T422 | W413-Q417 HydrophobicContact CD2-CG 4.44Å; W413-Q417 HydrophobicContact CZ2-CG 4.22Å; W413-Q417 WeakPolarHBondContact O-CG 3.44Å; W413-Q417 PolarHBondContact O-N 2.89Å; D414-Q417 WeakPolarHBondContact O-CB 3.44Å; D414-Q417 PolarHBondContact O-N 2.64Å; E415-Q417 VanDerWaalsContact C-N 3.35Å; Q417-A419 VanDerWaalsContact C-N 3.26Å; Q417-A419 PolarHBondContact O-N 2.87Å; Q417-G420 WeakPolarHBondContact O-CA 3.12Å; Q417-G420 PolarHBondContact O-N 3.1Å; Q417-T422 HydrophobicContact CB-CG2 4.41Å; Q417-T422 HydrophobicContact CG-CG2 3.68Å |
| 418 | D | 84.2 | Confident | 84 | Confident | 135 Ų | 135 | 57.8 Ų | 57.8 | 72% | 0.722 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -62.2 | -35.3 | 178.6 | -84.4 | -4.7 | 0 | 0 | 0 | 112.2 | D414 G420 | D414-D418 PolarHBondContact O-N 3.04Å; D418-G420 PolarHBondContact O-N 2.92Å |
| 419 | A | 80.8 | Confident | 83.6 | Confident | 64 Ų | 64 | 59.1 Ų | 59.1 | 53% | 0.529 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -4 | 173 | 0 | 0 | 0 | 0 | 0 | 113.8 | E415 Q417 I421 | E415-A419 WeakPolarHBondContact O-CB 3.14Å; E415-A419 PolarHBondContact O-N 3.3Å; Q417-A419 VanDerWaalsContact C-N 3.26Å; Q417-A419 PolarHBondContact O-N 2.87Å; A419-I421 HydrophobicContact CB-CD1 3.75Å; A419-I421 HydrophobicContact CB-CG1 3.88Å; A419-I421 PolarHBondContact O-N 3.23Å |
| 420 | G | 81.3 | Confident | 83.1 | Confident | 33 Ų | 33 | 58.2 Ų | 58.2 | 34% | 0.34 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.7 | 5.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | M416 Q417 D418 T422 S423 | M416-G420 PolarHBondContact O-N 2.94Å; Q417-G420 WeakPolarHBondContact O-CA 3.12Å; Q417-G420 PolarHBondContact O-N 3.1Å; D418-G420 PolarHBondContact O-N 2.92Å; G420-T422 VanDerWaalsContact C-N 3.31Å; G420-T422 PolarHBondContact O-N 2.81Å; G420-S423 PolarHBondContact O-N 3.41Å; G420-S423 PolarHBondContact O-OG 3.42Å |
| 421 | I | 82.8 | Confident | 82.7 | Confident | 22 Ų | 22 | 58.9 Ų | 58.9 | 11% | 0.113 | 33% | 0.333 | C | S | . | . | G | 310 helix | trans | -62.6 | -39.5 | -175 | -64.9 | 168.9 | 0 | 0 | 0 | 110.6 | T82 L83 M416 A419 S423 D424 M427 | T82-I421 HydrophobicContact CG2-CB 4.36Å; T82-I421 HydrophobicContact CG2-CG2 3.49Å; T82-I421 VanDerWaalsContact CG2-CG2 3.49Å; T82-I421 WeakPolarHBondContact CG2-O 3.27Å; L83-I421 HydrophobicContact CD2-CD1 3.57Å; L83-I421 HydrophobicContact CD2-CG1 4.4Å; M416-I421 HydrophobicContact CB-CB 4.41Å; M416-I421 HydrophobicContact CE-CG2 3.69Å; M416-I421 HydrophobicContact CG-CD1 4.4Å; M416-I421 WeakPolarHBondContact O-CB 3.46Å; M416-I421 PolarHBondContact O-N 2.84Å; A419-I421 HydrophobicContact CB-CD1 3.75Å; A419-I421 HydrophobicContact CB-CG1 3.88Å; A419-I421 PolarHBondContact O-N 3.23Å; I421-S423 PolarHBondContact O-N 3.47Å; I421-D424 WeakPolarHBondContact O-CB 3.39Å; I421-D424 PolarHBondContact O-N 3.41Å; I421-M427 WeakPolarHBondContact O-CG 3.42Å |
| 422 | T | 80.2 | Confident | 82.3 | Confident | 41 Ų | 41 | 59.6 Ų | 59.6 | 25% | 0.252 | 33% | 0.325 | S | S | . | . | G | 310 helix | trans | -69.1 | -16 | -175.5 | 63.1 | 0 | 0 | 0 | 0 | 114 | W413 M416 Q417 G420 | W413-T422 HydrophobicContact CE3-CG2 3.88Å; W413-T422 HydrophobicContact CH2-CG2 3.36Å; W413-T422 HydrophobicContact CZ2-CG2 4.13Å; W413-T422 HydrophobicContact CZ3-CG2 3.2Å; M416-T422 HydrophobicContact CB-CG2 3.92Å; Q417-T422 HydrophobicContact CB-CG2 4.41Å; Q417-T422 HydrophobicContact CG-CG2 3.68Å; G420-T422 VanDerWaalsContact C-N 3.31Å; G420-T422 PolarHBondContact O-N 2.81Å |
| 423 | S | 78.2 | Confident | 81.7 | Confident | 101 Ų | 101 | 62.5 Ų | 62.5 | 71% | 0.706 | 34% | 0.343 | S | S | * | . | G | 310 helix | trans | -87.9 | -5.7 | 178.1 | 71.6 | 0 | 0 | 0 | 0 | 113.7 | G420 I421 | G420-S423 PolarHBondContact O-N 3.41Å; G420-S423 PolarHBondContact O-OG 3.42Å; I421-S423 PolarHBondContact O-N 3.47Å |
| 424 | D | 83.7 | Confident | 81 | Confident | 62 Ų | 62 | 65 Ų | 65 | 33% | 0.332 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -68.6 | 142.2 | 178.7 | -162.1 | -61.5 | 0 | 0 | 0 | 111.6 | T82 I421 L426 M427 | T82-D424 HydrophobicContact CG2-CB 3.49Å; T82-D424 VanDerWaalsContact CG2-CB 3.49Å; I421-D424 WeakPolarHBondContact O-CB 3.39Å; I421-D424 PolarHBondContact O-N 3.41Å; D424-L426 PolarHBondContact O-N 3.29Å; D424-L426 WeakPolarHBondContact OD1-CB 3.45Å; D424-L426 WeakPolarHBondContact OD1-CG 3.36Å; D424-L426 PolarHBondContact OD1-N 2.98Å; D424-M427 HydrophobicContact CB-CG 4.43Å; D424-M427 WeakPolarHBondContact O-CB 3.26Å; D424-M427 PolarHBondContact O-N 3.06Å |
| 425 | T | 80.9 | Confident | 80 | Confident | 115 Ų | 115 | 62.7 Ų | 62.7 | 71% | 0.706 | 35% | 0.353 | S | S | * | . | G | 310 helix | trans | -59.7 | -24.8 | 175.9 | 55.6 | 0 | 0 | 0 | 0 | 114.2 | M427 K428 | T425-M427 PolarHBondContact O-N 3.02Å; T425-K428 WeakPolarHBondContact O-CB 3.21Å; T425-K428 WeakPolarHBondContact O-CD 3.47Å; T425-K428 VanDerWaalsContact O-CG 3.29Å; T425-K428 WeakPolarHBondContact O-CG 3.45Å; T425-K428 PolarHBondContact O-N 3.39Å |
| 426 | L | 79.8 | Confident | 78.2 | Confident | 29 Ų | 29 | 64.2 Ų | 64.2 | 15% | 0.152 | 37% | 0.372 | C | S | . | . | G | 310 helix | trans | -68.2 | -22.7 | 174 | -68.3 | 178.7 | 0 | 0 | 0 | 112.3 | T82 L101 I103 D424 K428 | T82-L426 WeakPolarHBondContact OG1-CB 3.38Å; L101-L426 WeakPolarHBondContact O-CD2 3.5Å; I103-L426 HydrophobicContact CD1-CD1 4.01Å; D424-L426 PolarHBondContact O-N 3.29Å; D424-L426 WeakPolarHBondContact OD1-CB 3.45Å; D424-L426 WeakPolarHBondContact OD1-CG 3.36Å; D424-L426 PolarHBondContact OD1-N 2.98Å; L426-K428 VanDerWaalsContact C-N 3.29Å; L426-K428 PolarHBondContact O-N 3Å |
| 427 | M | 81.1 | Confident | 76.7 | Confident | 11 Ų | 11 | 66 Ų | 66 | 5% | 0.054 | 38% | 0.381 | C | S | . | . | G | 310 helix | trans | -84.9 | 2.6 | -179.4 | -65.9 | -65.7 | -67.4 | 0 | 0 | 114 | I79 T82 M416 I421 D424 T425 N429 F430 F432 | I79-M427 HydrophobicContact CG1-CE 4.42Å; I79-M427 HydrophobicContact CG1-SD 4.17Å; T82-M427 HydrophobicContact CG2-CG 3.93Å; T82-M427 HydrophobicContact CG2-SD 4.35Å; M416-M427 HydrophobicContact CE-CE 3.89Å; I421-M427 WeakPolarHBondContact O-CG 3.42Å; D424-M427 HydrophobicContact CB-CG 4.43Å; D424-M427 WeakPolarHBondContact O-CB 3.26Å; D424-M427 PolarHBondContact O-N 3.06Å; T425-M427 PolarHBondContact O-N 3.02Å; M427-N429 PolarHBondContact O-N 2.65Å; M427-N429 VanDerWaalsContact O-N 3.1Å; M427-F430 HydrophobicContact CB-CD2 4.18Å; M427-F430 HydrophobicContact CE-CB 4.48Å; M427-F430 HydrophobicContact CE-CD2 3.45Å; M427-F430 VanDerWaalsContact CE-CD2 3.45Å; M427-F430 HydrophobicContact CE-CE2 3.82Å; M427-F430 HydrophobicContact CE-CG 4.08Å; M427-F430 PolarHBondContact O-N 2.67Å; M427-F430 VanDerWaalsContact O-N 3.14Å; M427-F430 HydrophobicContact SD-CD2 3.58Å; M427-F430 VanDerWaalsContact SD-CD2 3.58Å; M427-F430 HydrophobicContact SD-CE2 3.48Å; M427-F430 WeakPolarHBondContact SD-CE2 3.39Å; M427-F432 HydrophobicContact CE-CZ 4.27Å |
| 428 | K | 80.4 | Confident | 74.3 | Confident | 153 Ų | 153 | 70.4 Ų | 70.4 | 67% | 0.665 | 40% | 0.402 | S | S | * | . | G | 310 helix | trans | -61.6 | -21.3 | -173.5 | 69.6 | -177.2 | 179.2 | 179.3 | 0 | 115.1 | T425 L426 | T425-K428 WeakPolarHBondContact O-CB 3.21Å; T425-K428 WeakPolarHBondContact O-CD 3.47Å; T425-K428 VanDerWaalsContact O-CG 3.29Å; T425-K428 WeakPolarHBondContact O-CG 3.45Å; T425-K428 PolarHBondContact O-N 3.39Å; L426-K428 VanDerWaalsContact C-N 3.29Å; L426-K428 PolarHBondContact O-N 3Å |
| 429 | N | 80.7 | Confident | 72.1 | Confident | 31 Ų | 31 | 69.6 Ų | 69.6 | 17% | 0.166 | 40% | 0.397 | C | S | . | . | G | 310 helix | trans | -90 | -3.7 | -177.1 | -65 | -25.8 | 0 | 0 | 0 | 112.4 | N9 Y10 E78 M427 F431 | N9-N429 CarbonylContact C-O 3.49Å; N9-N429 WeakPolarHBondContact CA-O 3.47Å; Y10-N429 HydrophobicContact CD2-CB 3.94Å; Y10-N429 HydrophobicContact CE2-CB 3.82Å; Y10-N429 PolarHBondContact N-O 2.78Å; E78-N429 PolarHBondContact OE1-ND2 3.14Å; M427-N429 PolarHBondContact O-N 2.65Å; M427-N429 VanDerWaalsContact O-N 3.1Å; N429-F431 WeakPolarHBondContact O-CD2 3.48Å |
| 430 | F | 79.2 | Confident | 69.8 | Low | 15 Ų | 15 | 68.8 Ų | 68.8 | 7% | 0.066 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 125.2 | -179.4 | -65.9 | -71.7 | 0 | 0 | 0 | 112.3 | Y10 I12 L45 E78 I79 M427 F432 | Y10-F430 HydrophobicContact CD2-CD1 4.02Å; Y10-F430 AromaticContact CD2-CE1 3.89Å; Y10-F430 HydrophobicContact CD2-CE1 3.89Å; Y10-F430 HydrophobicContact CD2-CZ 4.39Å; Y10-F430 HydrophobicContact CG-CD1 4.39Å; Y10-F430 HydrophobicContact CG-CE1 4.35Å; I12-F430 HydrophobicContact CD1-CB 4Å; I12-F430 HydrophobicContact CD1-CD1 3.14Å; I12-F430 HydrophobicContact CD1-CE1 3.78Å; I12-F430 HydrophobicContact CD1-CG 3.83Å; I12-F430 HydrophobicContact CG1-CD1 3.93Å; L45-F430 HydrophobicContact CD1-CE1 4.24Å; E78-F430 HydrophobicContact CB-CE2 3.68Å; E78-F430 HydrophobicContact CB-CZ 3.81Å; E78-F430 VanDerWaalsContact OE2-CE2 3.24Å; E78-F430 WeakPolarHBondContact OE2-CE2 3.48Å; I79-F430 HydrophobicContact CD1-CE1 4.38Å; I79-F430 HydrophobicContact CD1-CZ 4.1Å; I79-F430 HydrophobicContact CG1-CE2 4.11Å; I79-F430 HydrophobicContact CG1-CZ 3.76Å; M427-F430 HydrophobicContact CB-CD2 4.18Å; M427-F430 HydrophobicContact CE-CB 4.48Å; M427-F430 HydrophobicContact CE-CD2 3.45Å; M427-F430 VanDerWaalsContact CE-CD2 3.45Å; M427-F430 HydrophobicContact CE-CE2 3.82Å; M427-F430 HydrophobicContact CE-CG 4.08Å; M427-F430 PolarHBondContact O-N 2.67Å; M427-F430 VanDerWaalsContact O-N 3.14Å; M427-F430 HydrophobicContact SD-CD2 3.58Å; M427-F430 VanDerWaalsContact SD-CD2 3.58Å; M427-F430 HydrophobicContact SD-CE2 3.48Å; M427-F430 WeakPolarHBondContact SD-CE2 3.39Å; F430-F432 HydrophobicContact CB-CD2 4.42Å; F430-F432 HydrophobicContact CB-CE2 3.55Å; F430-F432 HydrophobicContact CB-CZ 3.87Å; F430-F432 HydrophobicContact CG-CZ 4.46Å |
| 431 | F | 79.9 | Confident | 67.6 | Low | 101 Ų | 101 | 71.8 Ų | 71.8 | 44% | 0.443 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 107 | 175.6 | -66.9 | -93.9 | 0 | 0 | 0 | 108.9 | N9 Y10 S11 I12 N429 V433 | N9-F431 HydrophobicContact CB-CD2 3.58Å; N9-F431 HydrophobicContact CB-CE2 3.41Å; N9-F431 VanDerWaalsContact CB-CE2 3.41Å; N9-F431 HydrophobicContact CB-CZ 4.35Å; N9-F431 WeakPolarHBondContact OD1-CE2 3.49Å; Y10-F431 PolarHBondContact O-N 2.75Å; S11-F431 WeakPolarHBondContact CA-O 3.48Å; I12-F431 PolarHBondContact N-O 3.46Å; N429-F431 WeakPolarHBondContact O-CD2 3.48Å; F431-V433 PolarHBondContact O-N 3.48Å |
| 432 | F | 77.4 | Confident | 65.4 | Low | 52 Ų | 52 | 78.1 Ų | 78.1 | 23% | 0.228 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 115.6 | 178.1 | -62.2 | -89.4 | 0 | 0 | 0 | 109 | I12 I408 W413 M427 F430 | I12-F432 HydrophobicContact CB-CD1 3.86Å; I12-F432 HydrophobicContact CB-CE1 3.91Å; I12-F432 HydrophobicContact CD1-CD1 4.21Å; I12-F432 HydrophobicContact CD1-CE1 3.41Å; I12-F432 VanDerWaalsContact CD1-CE1 3.41Å; I12-F432 HydrophobicContact CD1-CE2 4.38Å; I12-F432 HydrophobicContact CD1-CZ 3.49Å; I12-F432 VanDerWaalsContact CD1-CZ 3.49Å; I12-F432 HydrophobicContact CG1-CE1 4.24Å; I12-F432 HydrophobicContact CG2-CD1 3.9Å; I12-F432 HydrophobicContact CG2-CE1 3.84Å; I408-F432 HydrophobicContact CG2-CD1 4.02Å; I408-F432 HydrophobicContact CG2-CE1 3.91Å; W413-F432 HydrophobicContact CD2-CD1 4.12Å; W413-F432 HydrophobicContact CD2-CE1 4.11Å; W413-F432 AromaticContact CE3-CD1 3.92Å; W413-F432 HydrophobicContact CE3-CD1 3.92Å; W413-F432 AromaticContact CE3-CE1 3.44Å; W413-F432 HydrophobicContact CE3-CE1 3.44Å; W413-F432 VanDerWaalsContact CE3-CE1 3.44Å; W413-F432 HydrophobicContact CE3-CE2 4.15Å; W413-F432 HydrophobicContact CE3-CG 4.45Å; W413-F432 AromaticContact CE3-CZ 3.6Å; W413-F432 HydrophobicContact CE3-CZ 3.6Å; W413-F432 HydrophobicContact CH2-CD1 4.18Å; W413-F432 AromaticContact CH2-CD2 3.35Å; W413-F432 HydrophobicContact CH2-CD2 3.35Å; W413-F432 AromaticContact CH2-CE1 3.96Å; W413-F432 HydrophobicContact CH2-CE1 3.96Å; W413-F432 AromaticContact CH2-CE2 3.11Å; W413-F432 HydrophobicContact CH2-CE2 3.11Å; W413-F432 AromaticContact CH2-CG 3.91Å; W413-F432 HydrophobicContact CH2-CG 3.91Å; W413-F432 AromaticContact CH2-CZ 3.46Å; W413-F432 HydrophobicContact CH2-CZ 3.46Å; W413-F432 VanDerWaalsContact CH2-CZ 3.46Å; W413-F432 HydrophobicContact CZ2-CD1 4.36Å; W413-F432 AromaticContact CZ2-CD2 3.73Å; W413-F432 HydrophobicContact CZ2-CD2 3.73Å; W413-F432 AromaticContact CZ2-CE2 3.98Å; W413-F432 HydrophobicContact CZ2-CE2 3.98Å; W413-F432 AromaticContact CZ2-CG 3.96Å; W413-F432 HydrophobicContact CZ2-CG 3.96Å; W413-F432 HydrophobicContact CZ2-CZ 4.39Å; W413-F432 AromaticContact CZ3-CD1 3.96Å; W413-F432 HydrophobicContact CZ3-CD1 3.96Å; W413-F432 AromaticContact CZ3-CD2 3.82Å; W413-F432 HydrophobicContact CZ3-CD2 3.82Å; W413-F432 AromaticContact CZ3-CE1 3.36Å; W413-F432 HydrophobicContact CZ3-CE1 3.36Å; W413-F432 AromaticContact CZ3-CE2 3.23Å; W413-F432 HydrophobicContact CZ3-CE2 3.23Å; W413-F432 HydrophobicContact CZ3-CG 4.16Å; W413-F432 AromaticContact CZ3-CZ 2.97Å; W413-F432 HydrophobicContact CZ3-CZ 2.97Å; M427-F432 HydrophobicContact CE-CZ 4.27Å; F430-F432 HydrophobicContact CB-CD2 4.42Å; F430-F432 HydrophobicContact CB-CE2 3.55Å; F430-F432 HydrophobicContact CB-CZ 3.87Å; F430-F432 HydrophobicContact CG-CZ 4.46Å |
| 433 | V | 76.8 | Confident | 63.3 | Low | 71 Ų | 71 | 82.9 Ų | 82.9 | 43% | 0.43 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 124.7 | 176.6 | -171.9 | 0 | 0 | 0 | 0 | 106.7 | I12 L14 F431 S435 | I12-V433 PolarHBondContact O-N 3.19Å; L14-V433 PolarHBondContact N-O 3.13Å; F431-V433 PolarHBondContact O-N 3.48Å; V433-S435 PolarHBondContact O-N 3.17Å; V433-S435 VanDerWaalsContact O-N 3.08Å |
| 434 | P | 72 | Confident | 61.2 | Low | 85 Ų | 85 | 88.4 Ų | 88.4 | 55% | 0.552 | 46% | 0.462 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -51.5 | 121.7 | 169.7 | -23.9 | 33.5 | 0 | 0 | 0 | 108.3 | C436 | P434-C436 PolarHBondContact O-N 2.93Å |
| 435 | S | 64 | Low | 58.8 | Low | 19 Ų | 19 | 93.6 Ų | 93.6 | 13% | 0.133 | 48% | 0.481 | C | S | . | . | trans | -70 | 101.6 | 178.2 | 80.6 | 0 | 0 | 0 | 0 | 106.7 | L14 L15 V433 I437 | L14-S435 WeakPolarHBondContact O-CB 3.5Å; L14-S435 PolarHBondContact O-N 2.82Å; L14-S435 PolarHBondContact O-OG 3.28Å; L15-S435 WeakPolarHBondContact CD2-OG 3.29Å; V433-S435 PolarHBondContact O-N 3.17Å; V433-S435 VanDerWaalsContact O-N 3.08Å; S435-I437 PolarHBondContact O-N 3Å | ||
| 436 | C | 49.3 | Very low | 56.3 | Low | 121 Ų | 121 | 92.6 Ų | 92.6 | 82% | 0.818 | 48% | 0.479 | S | S | * | . | trans | -71.9 | 62.5 | 167.2 | -71.3 | 0 | 0 | 0 | 0 | 108.8 | P434 Q438 | P434-C436 PolarHBondContact O-N 2.93Å; C436-Q438 PolarHBondContact O-N 3.14Å | ||
| 437 | I | 52.3 | Low | 54 | Low | 38 Ų | 38 | 98.7 Ų | 98.7 | 20% | 0.195 | 52% | 0.518 | C | S | . | . | trans | -72.8 | 85.6 | 163.3 | -56.5 | 173.9 | 0 | 0 | 0 | 104.1 | L15 A19 V24 S435 L439 | L15-I437 HydrophobicContact CD2-CD1 3.94Å; A19-I437 HydrophobicContact CB-CD1 4.32Å; V24-I437 HydrophobicContact CG2-CD1 4.01Å; S435-I437 PolarHBondContact O-N 3Å; I437-L439 HydrophobicContact CG2-CD2 4.26Å; I437-L439 HydrophobicContact CG2-CG 4.18Å; I437-L439 PolarHBondContact O-N 3.43Å | ||
| 438 | Q | 36.2 | Very low | 51.7 | Low | 180 Ų | 180 | 102.1 Ų | 102.1 | 84% | 0.841 | 55% | 0.548 | S | S | * | . | trans | -65.1 | 90.6 | 167.3 | -79.3 | -171.9 | -24.7 | 0 | 0 | 106.5 | C436 S440 | C436-Q438 PolarHBondContact O-N 3.14Å; Q438-S440 PolarHBondContact O-N 3.46Å | ||
| 439 | L | 38.3 | Very low | 49.5 | Very low | 118 Ų | 118 | 103.5 Ų | 103.5 | 62% | 0.618 | 59% | 0.588 | S | S | * | * | trans | -64.7 | 84.4 | 161.1 | -70.8 | 170.5 | 0 | 0 | 0 | 106.4 | I437 S441 | I437-L439 HydrophobicContact CG2-CD2 4.26Å; I437-L439 HydrophobicContact CG2-CG 4.18Å; I437-L439 PolarHBondContact O-N 3.43Å; L439-S441 PolarHBondContact O-N 3.35Å; L439-S441 VanDerWaalsContact O-N 3.14Å | ||
| 440 | S | 32 | Very low | 47.9 | Very low | 47 Ų | 47 | 107.1 Ų | 107.1 | 33% | 0.329 | 61% | 0.609 | S | S | . | * | trans | -64.6 | 116.1 | 163.7 | 102.2 | 0 | 0 | 0 | 0 | 105.1 | Q438 E442 D443 | Q438-S440 PolarHBondContact O-N 3.46Å; S440-E442 PolarHBondContact O-N 3.02Å; S440-D443 PolarHBondContact O-N 2.99Å; S440-D443 WeakPolarHBondContact OG-CB 3.45Å; S440-D443 PolarHBondContact OG-N 2.94Å; S440-D443 PolarHBondContact OG-OD2 3.03Å | ||
| 441 | S | 35.3 | Very low | 46.2 | Very low | 96 Ų | 96 | 111.9 Ų | 111.9 | 67% | 0.671 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.7 | -2 | 169.8 | 48.3 | 0 | 0 | 0 | 0 | 112.3 | L439 | L439-S441 PolarHBondContact O-N 3.35Å; L439-S441 VanDerWaalsContact O-N 3.14Å |
| 442 | E | 35.1 | Very low | 44.4 | Very low | 154 Ų | 154 | 112.6 Ų | 112.6 | 72% | 0.72 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.8 | -15.6 | -175.2 | -66.5 | -170.8 | 156.3 | 0 | 0 | 113.6 | S440 R444 F445 | S440-E442 PolarHBondContact O-N 3.02Å; E442-R444 PolarHBondContact O-N 2.96Å; E442-F445 WeakPolarHBondContact O-CD2 3.33Å |
| 443 | D | 36.6 | Very low | 42.4 | Very low | 142 Ų | 142 | 116.1 Ų | 116.1 | 76% | 0.759 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -79.5 | -1.6 | 171.2 | -71.3 | -48.3 | 0 | 0 | 0 | 113.1 | S440 F445 | S440-D443 PolarHBondContact O-N 2.99Å; S440-D443 WeakPolarHBondContact OG-CB 3.45Å; S440-D443 PolarHBondContact OG-N 2.94Å; S440-D443 PolarHBondContact OG-OD2 3.03Å; D443-F445 PolarHBondContact O-N 3Å; D443-F445 VanDerWaalsContact O-N 3.14Å |
| 444 | R | 34.6 | Very low | 40.3 | Very low | 217 Ų | 217 | 118.9 Ų | 118.9 | 82% | 0.819 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -80.9 | 56.6 | 160.4 | -66.2 | -168.6 | -136.8 | -160.9 | 1.1 | 111.2 | E442 | E442-R444 PolarHBondContact O-N 2.96Š|
| 445 | F | 32.6 | Very low | 38.2 | Very low | 170 Ų | 170 | 121.2 Ų | 121.2 | 75% | 0.746 | 70% | 0.697 | S | S | * | * | trans | -139.2 | 125.2 | 170.2 | -82 | -74.4 | 0 | 0 | 0 | 115.4 | E442 D443 | E442-F445 WeakPolarHBondContact O-CD2 3.33Å; D443-F445 PolarHBondContact O-N 3Å; D443-F445 VanDerWaalsContact O-N 3.14Å | ||
| 446 | S | 28.7 | Very low | 36.3 | Very low | 95 Ų | 95 | 128.5 Ų | 128.5 | 66% | 0.664 | 74% | 0.738 | S | S | * | * | trans | 83.4 | 80.4 | 136.1 | -171.9 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 447 | T | 31.2 | Very low | 35.3 | Very low | 156 Ų | 156 | 129.1 Ų | 129.1 | 96% | 0.957 | 73% | 0.731 | S | S | * | * | trans | -88.4 | 83.2 | 138.2 | 52.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 448 | A | 33.6 | Very low | 33.9 | Very low | 83 Ų | 83 | 136.7 Ų | 136.7 | 69% | 0.686 | 78% | 0.776 | S | S | * | * | trans | -139 | 89.3 | 162.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 449 | A | 32.9 | Very low | 33.7 | Very low | 182 Ų | 182 | 132.7 Ų | 132.7 | 100% | 1.504 | 77% | 0.77 | S | S | * | * | trans | -169.4 | 0 | 143.3 | 0 | 0 | 0 | 0 | 0 | 108.5 |
Retrieved 449 of 449 residues in 319.9 ms
(Link to these results)