| 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 | 49 | Very low | 50.6 | Low | 211 Ų | 211 | 116 Ų | 116 | 100% | 1.039 | 58% | 0.58 | S | S | * | * | 0 | -50.2 | 0 | -134.8 | 173.7 | -125.3 | 0 | 0 | 112.9 | F3 H4 V5 | M1-F3 PolarHBondContact O-N 3.18Å; M1-H4 PolarHBondContact O-N 3.33Å; M1-V5 PolarHBondContact O-N 3.49Å | |||
| 2 | L | 40.2 | Very low | 51.7 | Low | 143 Ų | 143 | 113.7 Ų | 113.7 | 75% | 0.749 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -56.1 | -38.8 | 178.3 | -87.3 | 143.8 | 0 | 0 | 0 | 115.6 | H4 V5 K6 | L2-H4 PolarHBondContact O-N 3.13Å; L2-V5 PolarHBondContact O-N 3.13Å; L2-K6 PolarHBondContact O-N 3.02Å; L2-K6 VanDerWaalsContact O-N 3.13Å |
| 3 | F | 43.2 | Very low | 52.9 | Low | 178 Ų | 178 | 114 Ų | 114 | 78% | 0.781 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -65.1 | -37.4 | 177.4 | -118.9 | -91.4 | 0 | 0 | 0 | 112.8 | M1 T7 | M1-F3 PolarHBondContact O-N 3.18Å; F3-T7 WeakPolarHBondContact O-CG2 3.47Å; F3-T7 PolarHBondContact O-N 3.43Å; F3-T7 VanDerWaalsContact O-N 3.1Å; F3-T7 PolarHBondContact O-OG1 3.48Å |
| 4 | H | 43.1 | Very low | 53.9 | Low | 141 Ų | 141 | 111.3 Ų | 111.3 | 65% | 0.653 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -72.2 | -35.8 | 179.9 | -121.2 | 73.7 | 0 | 0 | 0 | 112.2 | M1 L2 T7 L8 | M1-H4 PolarHBondContact O-N 3.33Å; L2-H4 PolarHBondContact O-N 3.13Å; H4-T7 WeakPolarHBondContact CA-OG1 3.42Å; H4-T7 PolarHBondContact O-OG1 3.25Å; H4-L8 WeakPolarHBondContact O-CD1 3.46Å; H4-L8 PolarHBondContact O-N 2.77Å |
| 5 | V | 49.3 | Very low | 55.4 | Low | 97 Ų | 97 | 107.3 Ų | 107.3 | 59% | 0.588 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -70 | -40.6 | 176.3 | 177.8 | 0 | 0 | 0 | 0 | 111 | M1 L2 S9 | M1-V5 PolarHBondContact O-N 3.49Å; L2-V5 PolarHBondContact O-N 3.13Å; V5-S9 PolarHBondContact O-N 3.01Å; V5-S9 VanDerWaalsContact O-N 3.13Å |
| 6 | K | 46.6 | Very low | 56.9 | Low | 141 Ų | 141 | 101.6 Ų | 101.6 | 61% | 0.613 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.3 | -43.7 | 175.6 | -78.4 | -172.1 | 175.4 | -176.1 | 0 | 112.2 | L2 L8 S9 F10 | L2-K6 PolarHBondContact O-N 3.02Å; L2-K6 VanDerWaalsContact O-N 3.13Å; K6-L8 PolarHBondContact O-N 3.09Å; K6-S9 PolarHBondContact O-N 3.2Å; K6-F10 WeakPolarHBondContact O-CD2 3.45Å; K6-F10 PolarHBondContact O-N 3.44Å; K6-F10 VanDerWaalsContact O-N 3.09Å |
| 7 | T | 50.6 | Low | 58.5 | Low | 57 Ų | 57 | 102.9 Ų | 102.9 | 35% | 0.35 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.7 | -36.2 | 178.3 | 47.2 | 0 | 0 | 0 | 0 | 113.1 | F3 H4 R11 | F3-T7 WeakPolarHBondContact O-CG2 3.47Å; F3-T7 PolarHBondContact O-N 3.43Å; F3-T7 VanDerWaalsContact O-N 3.1Å; F3-T7 PolarHBondContact O-OG1 3.48Å; H4-T7 WeakPolarHBondContact CA-OG1 3.42Å; H4-T7 PolarHBondContact O-OG1 3.25Å; T7-R11 WeakPolarHBondContact O-CB 3.36Å; T7-R11 PolarHBondContact O-N 3.39Å; T7-R11 VanDerWaalsContact O-N 3.08Å |
| 8 | L | 54.8 | Low | 60.2 | Low | 93 Ų | 93 | 100.5 Ų | 100.5 | 49% | 0.487 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.4 | -39.4 | 172.4 | -87.9 | 155.7 | 0 | 0 | 0 | 112.7 | H4 K6 R11 N12 | H4-L8 WeakPolarHBondContact O-CD1 3.46Å; H4-L8 PolarHBondContact O-N 2.77Å; K6-L8 PolarHBondContact O-N 3.09Å; L8-R11 PolarHBondContact O-N 2.91Å; L8-N12 PolarHBondContact O-N 3.27Å |
| 9 | S | 58.1 | Low | 62 | Low | 74 Ų | 74 | 96.4 Ų | 96.4 | 52% | 0.517 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64 | -46.2 | 176.9 | -176.6 | 0 | 0 | 0 | 0 | 112.2 | V5 K6 R11 N12 | V5-S9 PolarHBondContact O-N 3.01Å; V5-S9 VanDerWaalsContact O-N 3.13Å; K6-S9 PolarHBondContact O-N 3.2Å; S9-R11 PolarHBondContact O-N 3.1Å; S9-N12 WeakPolarHBondContact O-CB 3.5Å; S9-N12 PolarHBondContact O-N 3.21Å |
| 10 | F | 57.8 | Low | 63.5 | Low | 118 Ų | 118 | 98 Ų | 98 | 52% | 0.518 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.2 | -37.9 | 176.1 | -86 | -82.6 | 0 | 0 | 0 | 112.8 | K6 N12 I13 F14 F253 | K6-F10 WeakPolarHBondContact O-CD2 3.45Å; K6-F10 PolarHBondContact O-N 3.44Å; K6-F10 VanDerWaalsContact O-N 3.09Å; F10-N12 PolarHBondContact O-N 3.3Å; F10-I13 HydrophobicContact CD1-CD1 4.12Å; F10-I13 WeakPolarHBondContact O-CB 3.47Å; F10-I13 PolarHBondContact O-N 3.19Å; F10-I13 VanDerWaalsContact O-N 3.1Å; F10-F14 VanDerWaalsContact O-CD2 3.29Å; F10-F14 WeakPolarHBondContact O-CD2 3.12Å; F10-F253 HydrophobicContact CB-CZ 4.2Å |
| 11 | R | 63.8 | Low | 64.9 | Low | 23 Ų | 23 | 94.2 Ų | 94.2 | 9% | 0.087 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -59.2 | -34.8 | 176.1 | -170.4 | -174.2 | 171 | 69.3 | 9.2 | 112.1 | T7 L8 S9 I13 F14 K15 W252 | T7-R11 WeakPolarHBondContact O-CB 3.36Å; T7-R11 PolarHBondContact O-N 3.39Å; T7-R11 VanDerWaalsContact O-N 3.08Å; L8-R11 PolarHBondContact O-N 2.91Å; S9-R11 PolarHBondContact O-N 3.1Å; R11-I13 VanDerWaalsContact C-N 3.28Å; R11-I13 PolarHBondContact O-N 3.08Å; R11-F14 PolarHBondContact O-N 3.5Å; R11-K15 WeakPolarHBondContact O-CG 3.42Å; R11-K15 PolarHBondContact O-N 3.15Å; R11-W252 VanDerWaalsContact CZ-CZ2 3.44Å; R11-W252 VanDerWaalsContact NH1-CE3 3.32Å; R11-W252 PolarHBondContact NH1-O 3.43Å |
| 12 | N | 63.9 | Low | 67 | Low | 88 Ų | 88 | 89.1 Ų | 89.1 | 47% | 0.471 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -66.9 | -29 | 178.9 | -70.2 | -19.6 | 0 | 0 | 0 | 112.8 | L8 S9 F10 F14 K15 G16 | L8-N12 PolarHBondContact O-N 3.27Å; S9-N12 WeakPolarHBondContact O-CB 3.5Å; S9-N12 PolarHBondContact O-N 3.21Å; F10-N12 PolarHBondContact O-N 3.3Å; N12-F14 VanDerWaalsContact C-N 3.35Å; N12-K15 PolarHBondContact OD1-NZ 3.4Å; N12-G16 PolarHBondContact O-N 3.13Å |
| 13 | I | 67 | Low | 69.7 | Low | 118 Ų | 118 | 84.2 Ų | 84.2 | 61% | 0.605 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -62.1 | -45.7 | 173 | -58.4 | 174.8 | 0 | 0 | 0 | 109.9 | F10 R11 G16 | F10-I13 HydrophobicContact CD1-CD1 4.12Å; F10-I13 WeakPolarHBondContact O-CB 3.47Å; F10-I13 PolarHBondContact O-N 3.19Å; F10-I13 VanDerWaalsContact O-N 3.1Å; R11-I13 VanDerWaalsContact C-N 3.28Å; R11-I13 PolarHBondContact O-N 3.08Å; I13-G16 PolarHBondContact O-N 3.17Å |
| 14 | F | 67.7 | Low | 72.3 | Confident | 76 Ų | 76 | 83.6 Ų | 83.6 | 33% | 0.333 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -71.5 | -37.3 | -179.6 | -66.6 | -72.9 | 0 | 0 | 0 | 113.3 | F10 R11 N12 G16 F253 F254 K256 | F10-F14 VanDerWaalsContact O-CD2 3.29Å; F10-F14 WeakPolarHBondContact O-CD2 3.12Å; R11-F14 PolarHBondContact O-N 3.5Å; N12-F14 VanDerWaalsContact C-N 3.35Å; F14-G16 PolarHBondContact O-N 3.16Å; F14-F253 HydrophobicContact CE2-CE1 4.23Å; F14-F254 HydrophobicContact CD1-CD1 4.3Å; F14-F254 HydrophobicContact CD2-CD1 4.48Å; F14-F254 AromaticContact CE1-CD1 3.78Å; F14-F254 HydrophobicContact CE1-CD1 3.78Å; F14-F254 HydrophobicContact CE1-CE1 4.32Å; F14-F254 AromaticContact CE2-CD1 3.97Å; F14-F254 HydrophobicContact CE2-CD1 3.97Å; F14-F254 HydrophobicContact CE2-CE1 4.04Å; F14-F254 AromaticContact CZ-CD1 3.61Å; F14-F254 HydrophobicContact CZ-CD1 3.61Å; F14-F254 AromaticContact CZ-CE1 3.71Å; F14-F254 HydrophobicContact CZ-CE1 3.71Å; F14-K256 WeakPolarHBondContact O-CE 3.48Å; F14-K256 WeakPolarHBondContact O-CG 3.22Å |
| 15 | K | 75.2 | Confident | 74.8 | Confident | 52 Ų | 52 | 76.9 Ų | 76.9 | 23% | 0.226 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -58 | -35.1 | 172.8 | -70.6 | 177.5 | -173.8 | 163 | 0 | 111.9 | R11 N12 K256 | R11-K15 WeakPolarHBondContact O-CG 3.42Å; R11-K15 PolarHBondContact O-N 3.15Å; N12-K15 PolarHBondContact OD1-NZ 3.4Å; K15-K256 WeakPolarHBondContact O-CD 3.23Å; K15-K256 WeakPolarHBondContact O-CE 3.4Å; K15-K256 PolarHBondContact O-NZ 3.23Å |
| 16 | G | 79.3 | Confident | 77.1 | Confident | 15 Ų | 15 | 80.9 Ų | 80.9 | 16% | 0.155 | 41% | 0.413 | C | S | . | . | trans | 72.3 | 178.1 | -172.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | N12 I13 F14 Q18 | N12-G16 PolarHBondContact O-N 3.13Å; I13-G16 PolarHBondContact O-N 3.17Å; F14-G16 PolarHBondContact O-N 3.16Å; G16-Q18 PolarHBondContact O-NE2 3.5Å | ||
| 17 | K | 84.4 | Confident | 79.5 | Confident | 124 Ų | 124 | 77.2 Ų | 77.2 | 54% | 0.539 | 41% | 0.414 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 141.2 | -177.1 | -165.8 | -176.4 | 173.1 | -171.5 | 0 | 110.2 | M285 | K17-M285 HydrophobicContact CB-CE 3.4Å; K17-M285 HydrophobicContact CD-CE 3.67Å; K17-M285 HydrophobicContact CG-CE 3.36Å; K17-M285 WeakPolarHBondContact O-CE 3.48Å |
| 18 | Q | 90.3 | Very high | 81.7 | Confident | 60 Ų | 60 | 78.1 Ų | 78.1 | 28% | 0.28 | 41% | 0.413 | S | S | . | . | P | Polyproline II helix | trans | -99.6 | 138.8 | 173.7 | -56.9 | -66.3 | -59.8 | 0 | 0 | 109.1 | G16 T20 D260 M285 | G16-Q18 PolarHBondContact O-NE2 3.5Å; Q18-T20 PolarHBondContact O-N 3.22Å; Q18-D260 PolarHBondContact NE2-OD1 3.34Å; Q18-M285 VanDerWaalsContact C-CE 3.48Å |
| 19 | Y | 93.5 | Very high | 83.8 | Confident | 23 Ų | 23 | 74.1 Ų | 74.1 | 9% | 0.09 | 39% | 0.393 | C | S | . | . | P | Polyproline II helix | trans | -76.5 | 116.1 | 175.3 | 175.5 | -128.4 | 0 | 0 | 0 | 109 | E23 L266 Y267 L270 S271 M285 | Y19-E23 PolarHBondContact OH-OE1 3.33Å; Y19-E23 PolarHBondContact OH-OE2 2.68Å; Y19-L266 HydrophobicContact CD1-CB 4.09Å; Y19-Y267 AromaticContact CD2-CD2 3.86Å; Y19-Y267 HydrophobicContact CD2-CD2 3.86Å; Y19-Y267 HydrophobicContact CD2-CG 4.49Å; Y19-Y267 HydrophobicContact CE2-CD2 4.06Å; Y19-L270 HydrophobicContact CE1-CB 3.82Å; Y19-L270 HydrophobicContact CE1-CD1 3.99Å; Y19-L270 WeakPolarHBondContact OH-CB 3.41Å; Y19-S271 WeakPolarHBondContact OH-CA 3.46Å; Y19-S271 PolarHBondContact OH-N 3.31Å; Y19-M285 HydrophobicContact CD2-SD 4.3Å; Y19-M285 HydrophobicContact CG-SD 4.37Å |
| 20 | T | 92.9 | Very high | 85.8 | Confident | 128 Ų | 128 | 70.6 Ų | 70.6 | 79% | 0.785 | 37% | 0.368 | S | S | * | . | trans | -107.2 | 8.4 | -175.5 | 55.7 | 0 | 0 | 0 | 0 | 113.1 | Q18 | Q18-T20 PolarHBondContact O-N 3.22Š| ||
| 21 | G | 92.3 | Very high | 87.7 | Confident | 18 Ų | 18 | 65 Ų | 65 | 19% | 0.186 | 34% | 0.344 | C | S | . | . | trans | -62.8 | 143.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | E23 R50 | G21-E23 WeakPolarHBondContact CA-OE2 3.47Å; G21-R50 VanDerWaalsContact O-CZ 3.23Å; G21-R50 PolarHBondContact O-NH1 3.33Å; G21-R50 PolarHBondContact O-NH2 3.1Å | ||
| 22 | S | 93.5 | Very high | 89.4 | Confident | 104 Ų | 104 | 63.9 Ų | 63.9 | 73% | 0.727 | 34% | 0.34 | S | S | * | . | trans | -98.2 | 7.2 | -175.9 | 60.3 | 0 | 0 | 0 | 0 | 114 | K24 | S22-K24 PolarHBondContact O-N 3.4Š| ||
| 23 | E | 96.9 | Very high | 91 | Very high | 41 Ų | 41 | 59.7 Ų | 59.7 | 19% | 0.192 | 32% | 0.317 | C | S | . | . | trans | -53.4 | 125.3 | -177.4 | -65.3 | 89.6 | 152.2 | 0 | 0 | 111 | Y19 G21 R50 L270 K272 | Y19-E23 PolarHBondContact OH-OE1 3.33Å; Y19-E23 PolarHBondContact OH-OE2 2.68Å; G21-E23 WeakPolarHBondContact CA-OE2 3.47Å; E23-R50 WeakPolarHBondContact O-CD 3.4Å; E23-R50 PolarHBondContact O-NH1 3.22Å; E23-L270 WeakPolarHBondContact CG-O 3.24Å; E23-K272 HydrophobicContact CG-CG 4.37Å; E23-K272 PolarHBondContact OE1-N 3.49Å | ||
| 24 | K | 96.7 | Very high | 92.4 | Very high | 165 Ų | 165 | 54.8 Ų | 54.8 | 72% | 0.717 | 30% | 0.296 | S | S | * | . | trans | -80.4 | 153.2 | 173.9 | -57.3 | -60.2 | -175.5 | -179.8 | 0 | 109.7 | S22 | S22-K24 PolarHBondContact O-N 3.4Š| ||
| 25 | A | 97.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 28% | 0.28 | C | S | . | . | trans | -126.3 | 20 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | G27 K28 F30 R50 G51 A52 L270 | A25-G27 PolarHBondContact O-N 3.2Å; A25-K28 HydrophobicContact CB-CB 4.42Å; A25-K28 HydrophobicContact CB-CD 4.46Å; A25-K28 VanDerWaalsContact O-CB 3.32Å; A25-K28 WeakPolarHBondContact O-CB 3.35Å; A25-K28 PolarHBondContact O-N 3.29Å; A25-F30 HydrophobicContact CB-CE2 4.21Å; A25-R50 CarbonylContact C-O 3.55Å; A25-R50 HydrophobicContact CB-CB 3.89Å; A25-R50 PolarHBondContact N-O 3.27Å; A25-G51 CarbonylContact O-C 3.58Å; A25-A52 HydrophobicContact CB-CB 3.77Å; A25-A52 WeakPolarHBondContact O-CA 3.23Å; A25-A52 PolarHBondContact O-N 2.89Å; A25-L270 HydrophobicContact CB-CD2 4.24Å | ||
| 26 | K | 97.1 | Very high | 94.7 | Very high | 181 Ų | 181 | 50.2 Ų | 50.2 | 79% | 0.787 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | 132 | 175.2 | -171.8 | 177.7 | -179.7 | -177.6 | 0 | 109.9 | K28 R50 G51 | K26-K28 PolarHBondContact O-N 3.01Å; K26-R50 PolarHBondContact N-O 3.02Å; K26-G51 WeakPolarHBondContact CA-O 3.1Å |
| 27 | G | 96 | Very high | 95.3 | Very high | 63 Ų | 63 | 51.3 Ų | 51.3 | 65% | 0.649 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.5 | 0.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | A25 | A25-G27 PolarHBondContact O-N 3.2Š|
| 28 | K | 98 | Very high | 95.6 | Very high | 76 Ų | 76 | 46.4 Ų | 46.4 | 33% | 0.33 | 27% | 0.266 | S | S | . | . | trans | -93.3 | 148.1 | 175.8 | -60.4 | -161.2 | 170.6 | -160.3 | 0 | 111.9 | A25 K26 F30 A52 K53 D109 | A25-K28 HydrophobicContact CB-CB 4.42Å; A25-K28 HydrophobicContact CB-CD 4.46Å; A25-K28 VanDerWaalsContact O-CB 3.32Å; A25-K28 WeakPolarHBondContact O-CB 3.35Å; A25-K28 PolarHBondContact O-N 3.29Å; K26-K28 PolarHBondContact O-N 3.01Å; K28-F30 HydrophobicContact CB-CD2 4.29Å; K28-F30 HydrophobicContact CB-CE2 3.56Å; K28-F30 HydrophobicContact CB-CZ 4.28Å; K28-F30 HydrophobicContact CD-CE2 4.22Å; K28-F30 HydrophobicContact CD-CZ 4.17Å; K28-A52 WeakPolarHBondContact O-CA 3.36Å; K28-K53 PolarHBondContact O-N 3.2Å; K28-D109 WeakPolarHBondContact CA-OD2 3.29Å; K28-D109 HydrophobicContact CB-CB 3.92Å; K28-D109 HydrophobicContact CD-CB 4.15Å; K28-D109 WeakPolarHBondContact CD-OD1 3.39Å; K28-D109 HydrophobicContact CG-CB 4.32Å; K28-D109 WeakPolarHBondContact CG-OD1 3.43Å | ||
| 29 | V | 98.6 | Very high | 95.8 | Very high | 9 Ų | 9 | 44.2 Ų | 44.2 | 6% | 0.055 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 124.7 | -179.2 | -170.7 | 0 | 0 | 0 | 0 | 110.4 | K53 Y55 E105 L108 D109 G110 | V29-K53 WeakPolarHBondContact CA-O 3.49Å; V29-K53 HydrophobicContact CG2-CB 4.35Å; V29-Y55 HydrophobicContact CG1-CD2 3.81Å; V29-Y55 HydrophobicContact CG1-CE2 3.73Å; V29-E105 HydrophobicContact CG1-CG 4.12Å; V29-L108 HydrophobicContact CB-CD2 4.15Å; V29-L108 HydrophobicContact CG1-CD2 3.58Å; V29-D109 PolarHBondContact N-OD2 3.41Å; V29-D109 PolarHBondContact O-N 3.33Å; V29-G110 PolarHBondContact O-N 2.91Å |
| 30 | F | 98.9 | Very high | 96 | Very high | 1 Ų | 1 | 43.1 Ų | 43.1 | 0% | 0.004 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 144.1 | 179.3 | -66 | -94.6 | 0 | 0 | 0 | 112.1 | A25 K28 L47 A52 K53 V54 Y55 D109 G110 L269 L270 | A25-F30 HydrophobicContact CB-CE2 4.21Å; K28-F30 HydrophobicContact CB-CD2 4.29Å; K28-F30 HydrophobicContact CB-CE2 3.56Å; K28-F30 HydrophobicContact CB-CZ 4.28Å; K28-F30 HydrophobicContact CD-CE2 4.22Å; K28-F30 HydrophobicContact CD-CZ 4.17Å; F30-L47 HydrophobicContact CB-CD1 3.84Å; F30-L47 HydrophobicContact CD1-CD1 4.14Å; F30-L47 HydrophobicContact CD1-CD2 4.28Å; F30-L47 HydrophobicContact CD2-CD1 4.28Å; F30-L47 HydrophobicContact CD2-CD2 4.11Å; F30-L47 HydrophobicContact CE1-CD2 4.2Å; F30-L47 HydrophobicContact CE2-CD2 4Å; F30-L47 HydrophobicContact CG-CD1 3.83Å; F30-L47 HydrophobicContact CG-CD2 4.24Å; F30-L47 HydrophobicContact CZ-CD2 4.06Å; F30-A52 HydrophobicContact CD2-CB 3.67Å; F30-A52 HydrophobicContact CE2-CB 3.88Å; F30-K53 PolarHBondContact N-O 3.23Å; F30-V54 CarbonylContact O-C 3.54Å; F30-V54 WeakPolarHBondContact O-CA 3.33Å; F30-Y55 PolarHBondContact O-N 2.82Å; F30-D109 HydrophobicContact CE1-CB 4.42Å; F30-D109 HydrophobicContact CE2-CB 4.38Å; F30-D109 HydrophobicContact CZ-CB 4.16Å; F30-G110 WeakPolarHBondContact CA-O 3.3Å; F30-L269 HydrophobicContact CD1-CD2 4.14Å; F30-L269 HydrophobicContact CE1-CB 4.23Å; F30-L269 HydrophobicContact CE1-CD2 4.06Å; F30-L270 HydrophobicContact CZ-CD2 4.25Å |
| 31 | V | 98.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 130.4 | 167.4 | 174.9 | 0 | 0 | 0 | 0 | 109.4 | F97 L101 L108 G110 L111 V112 | V31-F97 HydrophobicContact CG1-CE1 3.94Å; V31-F97 HydrophobicContact CG1-CZ 3.76Å; V31-L101 HydrophobicContact CG2-CD1 3.69Å; V31-L101 HydrophobicContact CG2-CD2 4.16Å; V31-L108 HydrophobicContact CG2-CD1 3.89Å; V31-L108 HydrophobicContact CG2-CD2 4.02Å; V31-G110 PolarHBondContact N-O 2.9Å; V31-L111 HydrophobicContact CB-CD1 3.79Å; V31-L111 HydrophobicContact CG1-CD1 3.61Å; V31-V112 PolarHBondContact O-N 2.75Å |
| 32 | V | 98.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 114.8 | 174.8 | -174.8 | 0 | 0 | 0 | 0 | 109.5 | A35 I43 L47 V54 Y55 G57 V112 | V32-A35 HydrophobicContact CB-CB 4.03Å; V32-A35 HydrophobicContact CG1-CB 3.93Å; V32-A35 WeakPolarHBondContact O-CB 3.43Å; V32-I43 HydrophobicContact CG1-CB 4.43Å; V32-I43 HydrophobicContact CG1-CG2 4.37Å; V32-I43 HydrophobicContact CG2-CG2 3.96Å; V32-L47 HydrophobicContact CG2-CD1 4.07Å; V32-V54 HydrophobicContact CG2-CG1 3.98Å; V32-Y55 PolarHBondContact N-O 3.38Å; V32-G57 PolarHBondContact O-N 3.12Å; V32-G57 VanDerWaalsContact O-N 3.1Å; V32-V112 HydrophobicContact CB-CB 4.5Å; V32-V112 HydrophobicContact CG1-CB 4.28Å; V32-V112 HydrophobicContact CG2-CB 4.28Å; V32-V112 HydrophobicContact CG2-CG2 4.04Å |
| 33 | T | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 138.3 | 176.5 | 68.1 | 0 | 0 | 0 | 0 | 111 | L86 V112 N114 A115 L144 | T33-L86 HydrophobicContact CG2-CD2 3.74Å; T33-V112 PolarHBondContact N-O 3.5Å; T33-V112 PolarHBondContact OG1-O 3.36Å; T33-N114 WeakPolarHBondContact O-CB 3.35Å; T33-N114 PolarHBondContact O-ND2 3.16Å; T33-N114 PolarHBondContact OG1-N 3.43Å; T33-A115 PolarHBondContact O-N 2.92Å; T33-A115 WeakPolarHBondContact OG1-CB 3.31Å; T33-A115 PolarHBondContact OG1-N 3.41Å; T33-L144 HydrophobicContact CG2-CD2 3.49Å; T33-L144 VanDerWaalsContact CG2-CD2 3.49Å |
| 34 | G | 96 | Very high | 96.8 | Very high | 15 Ų | 15 | 32.6 Ų | 32.6 | 16% | 0.155 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.3 | 33.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | N36 G57 | G34-N36 PolarHBondContact O-N 2.82Å; G34-G57 PolarHBondContact N-O 3.5Å |
| 35 | A | 97.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -2.7 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | V32 C37 K41 A44 M56 | V32-A35 HydrophobicContact CB-CB 4.03Å; V32-A35 HydrophobicContact CG1-CB 3.93Å; V32-A35 WeakPolarHBondContact O-CB 3.43Å; A35-C37 VanDerWaalsContact C-N 3.3Å; A35-C37 PolarHBondContact O-N 2.85Å; A35-K41 WeakPolarHBondContact O-CA 3.33Å; A35-K41 VanDerWaalsContact O-CB 3.24Å; A35-K41 WeakPolarHBondContact O-CB 3.28Å; A35-K41 PolarHBondContact O-N 3.31Å; A35-A44 HydrophobicContact CB-CB 4.17Å; A35-M56 HydrophobicContact CB-CB 3.77Å; A35-M56 HydrophobicContact CB-CE 3.76Å; A35-M56 HydrophobicContact CB-CG 3.75Å; A35-M56 WeakPolarHBondContact O-CE 3.45Å |
| 36 | N | 93.5 | Very high | 96.9 | Very high | 32 Ų | 32 | 29.7 Ų | 29.7 | 17% | 0.171 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76 | -13.3 | 178.7 | 69.7 | -40.2 | 0 | 0 | 0 | 114.1 | G34 C58 K63 A64 A67 | G34-N36 PolarHBondContact O-N 2.82Å; N36-C58 HydrophobicContact CB-CB 4.38Å; N36-C58 PolarHBondContact N-SG 3.07Å; N36-K63 VanDerWaalsContact ND2-CB 3.35Å; N36-K63 WeakPolarHBondContact ND2-CB 3.14Å; N36-A64 HydrophobicContact CB-CB 4.18Å; N36-A67 HydrophobicContact CB-CB 4.22Å; N36-A67 WeakPolarHBondContact O-CB 3.44Å |
| 37 | C | 91.5 | Very high | 97 | Very high | 38 Ų | 38 | 21 Ų | 21 | 26% | 0.257 | 13% | 0.126 | S | C | . | . | S | Bend | trans | -153.3 | 171.2 | -179.9 | 68.8 | 0 | 0 | 0 | 0 | 113 | A35 I39 K41 | A35-C37 VanDerWaalsContact C-N 3.3Å; A35-C37 PolarHBondContact O-N 2.85Å; C37-I39 PolarHBondContact O-N 2.89Å; C37-K41 PolarHBondContact O-N 3.31Å; C37-K41 VanDerWaalsContact O-N 3.16Å |
| 38 | G | 92 | Very high | 97.1 | Very high | 20 Ų | 20 | 18.1 Ų | 18.1 | 21% | 0.206 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | 55.3 | -138.3 | 169.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | K41 Q42 | G38-K41 PolarHBondContact O-N 2.68Å; G38-Q42 PolarHBondContact O-N 3.44Å |
| 39 | I | 94.6 | Very high | 97.1 | Very high | 15 Ų | 15 | 18.7 Ų | 18.7 | 8% | 0.077 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -62.8 | -47.6 | -175.4 | -66.6 | 164.5 | 0 | 0 | 0 | 110.5 | C37 K41 Q42 I43 N114 P224 C227 T229 A262 | C37-I39 PolarHBondContact O-N 2.89Å; I39-K41 VanDerWaalsContact C-N 3.27Å; I39-K41 PolarHBondContact O-N 3.18Å; I39-Q42 WeakPolarHBondContact O-CA 3.36Å; I39-Q42 PolarHBondContact O-N 3.07Å; I39-I43 HydrophobicContact CG2-CD1 3.68Å; I39-I43 HydrophobicContact CG2-CG1 4.15Å; I39-I43 WeakPolarHBondContact O-CG1 3.46Å; I39-I43 PolarHBondContact O-N 3.3Å; I39-N114 WeakPolarHBondContact CG2-OD1 3.46Å; I39-P224 HydrophobicContact CD1-CB 3.64Å; I39-P224 HydrophobicContact CD1-CG 3.77Å; I39-C227 HydrophobicContact CD1-CB 4.09Å; I39-T229 HydrophobicContact CD1-CG2 4.49Å; I39-T229 HydrophobicContact CG1-CG2 4.23Å; I39-A262 HydrophobicContact CG2-CB 4.24Å |
| 40 | G | 96.8 | Very high | 97 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -54.6 | -41.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q42 I43 A44 N114 | G40-Q42 VanDerWaalsContact C-N 3.33Å; G40-Q42 PolarHBondContact O-N 2.5Å; G40-I43 PolarHBondContact O-N 3.07Å; G40-A44 WeakPolarHBondContact O-CB 3.48Å; G40-A44 PolarHBondContact O-N 3.13Å; G40-N114 VanDerWaalsContact CA-ND2 3.3Å; G40-N114 WeakPolarHBondContact CA-ND2 3.27Å; G40-N114 PolarHBondContact N-ND2 2.92Å; G40-N114 PolarHBondContact N-OD1 3.32Å |
| 41 | K | 97.7 | Very high | 97 | Very high | 26 Ų | 26 | 20.1 Ų | 20.1 | 11% | 0.113 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -62.1 | -39.9 | 175.2 | -170.1 | -177.6 | 176.9 | -161.5 | 0 | 112.6 | A35 C37 G38 I39 R45 A67 E70 L71 | A35-K41 WeakPolarHBondContact O-CA 3.33Å; A35-K41 VanDerWaalsContact O-CB 3.24Å; A35-K41 WeakPolarHBondContact O-CB 3.28Å; A35-K41 PolarHBondContact O-N 3.31Å; C37-K41 PolarHBondContact O-N 3.31Å; C37-K41 VanDerWaalsContact O-N 3.16Å; G38-K41 PolarHBondContact O-N 2.68Å; I39-K41 VanDerWaalsContact C-N 3.27Å; I39-K41 PolarHBondContact O-N 3.18Å; K41-R45 VanDerWaalsContact O-CB 3.3Å; K41-R45 WeakPolarHBondContact O-CB 3.36Å; K41-R45 PolarHBondContact O-N 2.66Å; K41-A67 HydrophobicContact CD-CB 4.15Å; K41-E70 IonicContact NZ-OE2 2.82Å; K41-E70 PolarHBondContact NZ-OE2 3.3Å; K41-L71 HydrophobicContact CG-CD1 4.27Å; K41-L71 HydrophobicContact CG-CD2 4.1Å; K41-L71 HydrophobicContact CG-CG 4.31Å |
| 42 | Q | 97.6 | Very high | 97 | Very high | 44 Ų | 44 | 20.1 Ų | 20.1 | 21% | 0.206 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -73 | -33.1 | 178.9 | -66.2 | -61.6 | -40.2 | 0 | 0 | 112.5 | G38 I39 G40 R45 E46 P258 K259 A262 | G38-Q42 PolarHBondContact O-N 3.44Å; I39-Q42 WeakPolarHBondContact O-CA 3.36Å; I39-Q42 PolarHBondContact O-N 3.07Å; G40-Q42 VanDerWaalsContact C-N 3.33Å; G40-Q42 PolarHBondContact O-N 2.5Å; Q42-R45 WeakPolarHBondContact O-CB 3.43Å; Q42-E46 PolarHBondContact O-N 3.26Å; Q42-E46 VanDerWaalsContact O-N 3.09Å; Q42-P258 HydrophobicContact CG-CB 3.94Å; Q42-K259 HydrophobicContact CG-CB 4.39Å; Q42-A262 HydrophobicContact CB-CB 3.78Å |
| 43 | I | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -63.7 | -51.4 | 171.2 | -64.2 | 171.1 | 0 | 0 | 0 | 109.6 | V32 I39 G40 R45 E46 L47 V112 A262 P265 L266 L269 | V32-I43 HydrophobicContact CG1-CB 4.43Å; V32-I43 HydrophobicContact CG1-CG2 4.37Å; V32-I43 HydrophobicContact CG2-CG2 3.96Å; I39-I43 HydrophobicContact CG2-CD1 3.68Å; I39-I43 HydrophobicContact CG2-CG1 4.15Å; I39-I43 WeakPolarHBondContact O-CG1 3.46Å; I39-I43 PolarHBondContact O-N 3.3Å; G40-I43 PolarHBondContact O-N 3.07Å; I43-R45 VanDerWaalsContact C-N 3.3Å; I43-R45 PolarHBondContact O-N 2.86Å; I43-E46 PolarHBondContact O-N 3.25Å; I43-L47 HydrophobicContact CG2-CD1 3.69Å; I43-L47 HydrophobicContact CG2-CG 4.29Å; I43-L47 VanDerWaalsContact O-CG 3.32Å; I43-L47 WeakPolarHBondContact O-CG 3.41Å; I43-L47 PolarHBondContact O-N 3.31Å; I43-V112 HydrophobicContact CD1-CG1 3.97Å; I43-V112 HydrophobicContact CG2-CG2 4.26Å; I43-A262 HydrophobicContact CG1-CB 3.67Å; I43-P265 HydrophobicContact CD1-CB 3.51Å; I43-P265 HydrophobicContact CD1-CG 3.92Å; I43-P265 HydrophobicContact CG1-CB 4.21Å; I43-L266 HydrophobicContact CG1-CG 4.47Å; I43-L266 HydrophobicContact CG2-CD2 4.26Å; I43-L269 HydrophobicContact CG2-CD1 4.09Å |
| 44 | A | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -57.9 | -43 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | A35 G40 N48 V54 M56 | A35-A44 HydrophobicContact CB-CB 4.17Å; G40-A44 WeakPolarHBondContact O-CB 3.48Å; G40-A44 PolarHBondContact O-N 3.13Å; A44-N48 VanDerWaalsContact O-CB 3.28Å; A44-N48 WeakPolarHBondContact O-CB 3.08Å; A44-N48 PolarHBondContact O-N 2.85Å; A44-V54 HydrophobicContact CB-CG1 3.85Å; A44-M56 HydrophobicContact CB-CG 4.36Å |
| 45 | R | 98.5 | Very high | 97.1 | Very high | 55 Ų | 55 | 22.6 Ų | 22.6 | 21% | 0.208 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -51.6 | -60.3 | 173.4 | -175.3 | 179 | 164.4 | -75.1 | -13.6 | 111.4 | K41 Q42 I43 L47 N48 Y49 L71 | K41-R45 VanDerWaalsContact O-CB 3.3Å; K41-R45 WeakPolarHBondContact O-CB 3.36Å; K41-R45 PolarHBondContact O-N 2.66Å; Q42-R45 WeakPolarHBondContact O-CB 3.43Å; I43-R45 VanDerWaalsContact C-N 3.3Å; I43-R45 PolarHBondContact O-N 2.86Å; R45-L47 PolarHBondContact O-N 3.2Å; R45-N48 PolarHBondContact O-N 3.47Å; R45-Y49 HydrophobicContact CG-CD2 3.7Å; R45-Y49 HydrophobicContact CG-CE2 3.41Å; R45-Y49 VanDerWaalsContact CG-CE2 3.41Å; R45-Y49 VanDerWaalsContact NH2-CE2 3.26Å; R45-Y49 PolarHBondContact NH2-OH 3.44Å; R45-Y49 WeakPolarHBondContact O-CD2 3.1Å; R45-Y49 PolarHBondContact O-N 2.74Å; R45-L71 HydrophobicContact CB-CD2 3.43Å; R45-L71 VanDerWaalsContact CB-CD2 3.43Å; R45-L71 HydrophobicContact CG-CD2 3.71Å |
| 46 | E | 98.2 | Very high | 97.2 | Very high | 48 Ų | 48 | 22.6 Ų | 22.6 | 22% | 0.224 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -65.9 | -40.7 | -172.4 | -174.6 | 67 | -163.9 | 0 | 0 | 112.4 | Q42 I43 N48 Y49 R50 L266 | Q42-E46 PolarHBondContact O-N 3.26Å; Q42-E46 VanDerWaalsContact O-N 3.09Å; I43-E46 PolarHBondContact O-N 3.25Å; E46-N48 VanDerWaalsContact C-N 3.34Å; E46-N48 PolarHBondContact O-N 3.13Å; E46-Y49 PolarHBondContact O-N 2.89Å; E46-R50 WeakPolarHBondContact O-CG 3.43Å; E46-R50 PolarHBondContact O-N 3.48Å; E46-R50 VanDerWaalsContact O-N 3.07Å; E46-R50 IonicContact OE1-CZ 3.46Å; E46-R50 IonicContact OE1-NE 3.53Å; E46-R50 PolarHBondContact OE1-NE 3.04Å; E46-R50 IonicContact OE1-NH2 3.12Å; E46-R50 PolarHBondContact OE1-NH2 3.47Å; E46-R50 VanDerWaalsContact OE1-NH2 3.12Å; E46-L266 HydrophobicContact CB-CD1 3.76Å; E46-L266 HydrophobicContact CB-CD2 3.78Å; E46-L266 HydrophobicContact CB-CG 4.43Å; E46-L266 HydrophobicContact CG-CD1 3.77Å; E46-L266 HydrophobicContact CG-CD2 3.86Å; E46-L266 HydrophobicContact CG-CG 4.43Å |
| 47 | L | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -59.6 | -45.7 | 174.8 | -68.6 | 171.8 | 0 | 0 | 0 | 111.2 | F30 V32 I43 R45 R50 G51 A52 V54 L266 L269 L270 | F30-L47 HydrophobicContact CB-CD1 3.84Å; F30-L47 HydrophobicContact CD1-CD1 4.14Å; F30-L47 HydrophobicContact CD1-CD2 4.28Å; F30-L47 HydrophobicContact CD2-CD1 4.28Å; F30-L47 HydrophobicContact CD2-CD2 4.11Å; F30-L47 HydrophobicContact CE1-CD2 4.2Å; F30-L47 HydrophobicContact CE2-CD2 4Å; F30-L47 HydrophobicContact CG-CD1 3.83Å; F30-L47 HydrophobicContact CG-CD2 4.24Å; F30-L47 HydrophobicContact CZ-CD2 4.06Å; V32-L47 HydrophobicContact CG2-CD1 4.07Å; I43-L47 HydrophobicContact CG2-CD1 3.69Å; I43-L47 HydrophobicContact CG2-CG 4.29Å; I43-L47 VanDerWaalsContact O-CG 3.32Å; I43-L47 WeakPolarHBondContact O-CG 3.41Å; I43-L47 PolarHBondContact O-N 3.31Å; R45-L47 PolarHBondContact O-N 3.2Å; L47-R50 PolarHBondContact O-N 3.37Å; L47-G51 PolarHBondContact O-N 3.42Å; L47-A52 HydrophobicContact CB-CB 4.17Å; L47-A52 VanDerWaalsContact O-CB 3.26Å; L47-A52 WeakPolarHBondContact O-CB 3.41Å; L47-A52 PolarHBondContact O-N 3.3Å; L47-V54 HydrophobicContact CB-CG2 3.74Å; L47-L266 HydrophobicContact CD2-CD2 4.25Å; L47-L266 HydrophobicContact CG-CD2 4.15Å; L47-L269 HydrophobicContact CD1-CD1 4.31Å; L47-L270 HydrophobicContact CD2-CD1 4.08Å; L47-L270 HydrophobicContact CD2-CD2 3.89Å; L47-L270 HydrophobicContact CD2-CG 4.15Å |
| 48 | N | 98.6 | Very high | 97.8 | Very high | 1 Ų | 1 | 19.4 Ų | 19.4 | 1% | 0.005 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -65 | -42.2 | 179.1 | -178.3 | -80.6 | 0 | 0 | 0 | 112.5 | A44 R45 E46 R50 G51 V54 C76 S77 R80 L81 | A44-N48 VanDerWaalsContact O-CB 3.28Å; A44-N48 WeakPolarHBondContact O-CB 3.08Å; A44-N48 PolarHBondContact O-N 2.85Å; R45-N48 PolarHBondContact O-N 3.47Å; E46-N48 VanDerWaalsContact C-N 3.34Å; E46-N48 PolarHBondContact O-N 3.13Å; N48-R50 PolarHBondContact O-N 3.44Å; N48-G51 WeakPolarHBondContact O-CA 3.34Å; N48-G51 PolarHBondContact O-N 2.93Å; N48-V54 HydrophobicContact CB-CG2 4.24Å; N48-C76 HydrophobicContact CB-CB 4.46Å; N48-C76 VanDerWaalsContact OD1-CA 3.23Å; N48-C76 WeakPolarHBondContact OD1-CA 3.46Å; N48-C76 WeakPolarHBondContact OD1-CB 3.32Å; N48-S77 PolarHBondContact ND2-O 3.02Å; N48-S77 PolarHBondContact OD1-N 2.82Å; N48-R80 VanDerWaalsContact ND2-CB 3.26Å; N48-R80 WeakPolarHBondContact ND2-CB 3.26Å; N48-R80 PolarHBondContact ND2-O 2.78Å; N48-L81 HydrophobicContact CB-CD2 3.9Å; N48-L81 WeakPolarHBondContact ND2-CG 3.15Å |
| 49 | Y | 97.3 | Very high | 97.9 | Very high | 88 Ų | 88 | 25.5 Ų | 25.5 | 35% | 0.345 | 11% | 0.109 | S | C | . | . | H | α-helix | trans | -59.2 | -34.3 | 173.1 | -86 | -68.8 | 0 | 0 | 0 | 112.9 | R45 E46 G51 S74 G75 | R45-Y49 HydrophobicContact CG-CD2 3.7Å; R45-Y49 HydrophobicContact CG-CE2 3.41Å; R45-Y49 VanDerWaalsContact CG-CE2 3.41Å; R45-Y49 VanDerWaalsContact NH2-CE2 3.26Å; R45-Y49 PolarHBondContact NH2-OH 3.44Å; R45-Y49 WeakPolarHBondContact O-CD2 3.1Å; R45-Y49 PolarHBondContact O-N 2.74Å; E46-Y49 PolarHBondContact O-N 2.89Å; Y49-G51 PolarHBondContact O-N 3.44Å; Y49-S74 PolarHBondContact OH-O 3.48Å; Y49-S74 PolarHBondContact OH-OG 3.19Å; Y49-G75 WeakPolarHBondContact CE1-O 3.34Å |
| 50 | R | 97.7 | Very high | 98 | Very high | 28 Ų | 28 | 26.5 Ų | 26.5 | 11% | 0.106 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -1.8 | 175.8 | -69.3 | 172 | -179.5 | -116.7 | 2.5 | 113.1 | G21 E23 A25 K26 E46 L47 N48 | G21-R50 VanDerWaalsContact O-CZ 3.23Å; G21-R50 PolarHBondContact O-NH1 3.33Å; G21-R50 PolarHBondContact O-NH2 3.1Å; E23-R50 WeakPolarHBondContact O-CD 3.4Å; E23-R50 PolarHBondContact O-NH1 3.22Å; A25-R50 CarbonylContact C-O 3.55Å; A25-R50 HydrophobicContact CB-CB 3.89Å; A25-R50 PolarHBondContact N-O 3.27Å; K26-R50 PolarHBondContact N-O 3.02Å; E46-R50 WeakPolarHBondContact O-CG 3.43Å; E46-R50 PolarHBondContact O-N 3.48Å; E46-R50 VanDerWaalsContact O-N 3.07Å; E46-R50 IonicContact OE1-CZ 3.46Å; E46-R50 IonicContact OE1-NE 3.53Å; E46-R50 PolarHBondContact OE1-NE 3.04Å; E46-R50 IonicContact OE1-NH2 3.12Å; E46-R50 PolarHBondContact OE1-NH2 3.47Å; E46-R50 VanDerWaalsContact OE1-NH2 3.12Å; L47-R50 PolarHBondContact O-N 3.37Å; N48-R50 PolarHBondContact O-N 3.44Å |
| 51 | G | 98.2 | Very high | 98.1 | Very high | 13 Ų | 13 | 29.8 Ų | 29.8 | 13% | 0.134 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 101.4 | 3.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | A25 K26 L47 N48 Y49 R80 | A25-G51 CarbonylContact O-C 3.58Å; K26-G51 WeakPolarHBondContact CA-O 3.1Å; L47-G51 PolarHBondContact O-N 3.42Å; N48-G51 WeakPolarHBondContact O-CA 3.34Å; N48-G51 PolarHBondContact O-N 2.93Å; Y49-G51 PolarHBondContact O-N 3.44Å; G51-R80 WeakPolarHBondContact O-CD 3.39Å; G51-R80 PolarHBondContact O-NE 2.95Å |
| 52 | A | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 16% | 0.162 | C | C | . | . | trans | -73.4 | 151.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | A25 K28 F30 L47 V54 R80 | A25-A52 HydrophobicContact CB-CB 3.77Å; A25-A52 WeakPolarHBondContact O-CA 3.23Å; A25-A52 PolarHBondContact O-N 2.89Å; K28-A52 WeakPolarHBondContact O-CA 3.36Å; F30-A52 HydrophobicContact CD2-CB 3.67Å; F30-A52 HydrophobicContact CE2-CB 3.88Å; L47-A52 HydrophobicContact CB-CB 4.17Å; L47-A52 VanDerWaalsContact O-CB 3.26Å; L47-A52 WeakPolarHBondContact O-CB 3.41Å; L47-A52 PolarHBondContact O-N 3.3Å; A52-V54 HydrophobicContact CB-CG2 4.31Å; A52-R80 WeakPolarHBondContact O-CB 3.48Å | ||
| 53 | K | 98.8 | Very high | 98 | Very high | 65 Ų | 65 | 37.1 Ų | 37.1 | 28% | 0.283 | 17% | 0.174 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 129.5 | 159 | -170.9 | 175.8 | -178.5 | -176.1 | 0 | 108.5 | K28 V29 F30 Y55 I82 E105 | K28-K53 PolarHBondContact O-N 3.2Å; V29-K53 WeakPolarHBondContact CA-O 3.49Å; V29-K53 HydrophobicContact CG2-CB 4.35Å; F30-K53 PolarHBondContact N-O 3.23Å; K53-Y55 HydrophobicContact CD-CE2 4.08Å; K53-Y55 WeakPolarHBondContact CE-OH 3.31Å; K53-Y55 HydrophobicContact CG-CE2 4.28Å; K53-Y55 PolarHBondContact NZ-OH 2.93Å; K53-I82 HydrophobicContact CD-CD1 3.9Å; K53-I82 HydrophobicContact CG-CD1 3.35Å; K53-E105 VanDerWaalsContact CD-OE1 3.27Å; K53-E105 WeakPolarHBondContact CD-OE1 3.24Å; K53-E105 WeakPolarHBondContact CE-OE1 3.33Å; K53-E105 IonicContact NZ-OE1 2.88Å; K53-E105 PolarHBondContact NZ-OE1 2.9Å |
| 54 | V | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 118.6 | -176.4 | -172.9 | 0 | 0 | 0 | 0 | 110.3 | F30 V32 A44 L47 N48 A52 M56 R80 L81 I82 | F30-V54 CarbonylContact O-C 3.54Å; F30-V54 WeakPolarHBondContact O-CA 3.33Å; V32-V54 HydrophobicContact CG2-CG1 3.98Å; A44-V54 HydrophobicContact CB-CG1 3.85Å; L47-V54 HydrophobicContact CB-CG2 3.74Å; N48-V54 HydrophobicContact CB-CG2 4.24Å; A52-V54 HydrophobicContact CB-CG2 4.31Å; V54-M56 HydrophobicContact CG1-CG 4.34Å; V54-R80 PolarHBondContact N-O 3.06Å; V54-L81 HydrophobicContact CB-CD2 4.23Å; V54-I82 PolarHBondContact O-N 3.46Å |
| 55 | Y | 98.9 | Very high | 97.9 | Very high | 2 Ų | 2 | 41.2 Ų | 41.2 | 1% | 0.008 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 113.2 | 168.3 | -75.5 | -90.7 | 0 | 0 | 0 | 110.3 | V29 F30 V32 K53 G57 I82 L84 L101 R104 E105 | V29-Y55 HydrophobicContact CG1-CD2 3.81Å; V29-Y55 HydrophobicContact CG1-CE2 3.73Å; F30-Y55 PolarHBondContact O-N 2.82Å; V32-Y55 PolarHBondContact N-O 3.38Å; K53-Y55 HydrophobicContact CD-CE2 4.08Å; K53-Y55 WeakPolarHBondContact CE-OH 3.31Å; K53-Y55 HydrophobicContact CG-CE2 4.28Å; K53-Y55 PolarHBondContact NZ-OH 2.93Å; Y55-G57 PolarHBondContact O-N 3.45Å; Y55-I82 CarbonylContact C-O 3.51Å; Y55-I82 VanDerWaalsContact CA-O 3.32Å; Y55-I82 WeakPolarHBondContact CA-O 3.42Å; Y55-I82 HydrophobicContact CD1-CB 3.8Å; Y55-I82 HydrophobicContact CD1-CG2 3.75Å; Y55-I82 HydrophobicContact CE1-CB 3.83Å; Y55-I82 HydrophobicContact CE1-CG1 4.36Å; Y55-I82 HydrophobicContact CE1-CG2 3.55Å; Y55-I82 HydrophobicContact CG-CB 4.4Å; Y55-L84 HydrophobicContact CD1-CD1 3.54Å; Y55-L84 HydrophobicContact CD1-CG 3.99Å; Y55-L84 HydrophobicContact CE1-CD1 3.85Å; Y55-L84 HydrophobicContact CE1-CG 4.38Å; Y55-L101 HydrophobicContact CD1-CD2 3.42Å; Y55-L101 VanDerWaalsContact CD1-CD2 3.42Å; Y55-L101 HydrophobicContact CD2-CD2 3.7Å; Y55-L101 HydrophobicContact CE1-CD2 3.67Å; Y55-L101 HydrophobicContact CE2-CD2 3.98Å; Y55-L101 HydrophobicContact CG-CD2 3.41Å; Y55-L101 VanDerWaalsContact CG-CD2 3.41Å; Y55-R104 WeakPolarHBondContact OH-CB 3.35Å; Y55-E105 HydrophobicContact CE2-CG 3.67Å; Y55-E105 VanDerWaalsContact CE2-OE1 3.25Å; Y55-E105 WeakPolarHBondContact CE2-OE1 3.47Å; Y55-E105 PolarHBondContact OH-OE1 2.93Å |
| 56 | M | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 88.8 | -179.2 | -64.6 | -179.3 | 71 | 0 | 0 | 109.8 | A35 A44 V54 C58 A67 V68 L71 L81 I82 V83 L84 | A35-M56 HydrophobicContact CB-CB 3.77Å; A35-M56 HydrophobicContact CB-CE 3.76Å; A35-M56 HydrophobicContact CB-CG 3.75Å; A35-M56 WeakPolarHBondContact O-CE 3.45Å; A44-M56 HydrophobicContact CB-CG 4.36Å; V54-M56 HydrophobicContact CG1-CG 4.34Å; M56-C58 PolarHBondContact O-N 3.4Å; M56-C58 PolarHBondContact O-SG 2.92Å; M56-C58 VanDerWaalsContact O-SG 3.41Å; M56-A67 HydrophobicContact CE-CB 4.27Å; M56-V68 HydrophobicContact SD-CG2 3.94Å; M56-L71 HydrophobicContact CE-CD1 3.98Å; M56-L71 HydrophobicContact SD-CD1 4.21Å; M56-L81 HydrophobicContact SD-CB 4.38Å; M56-L81 HydrophobicContact SD-CD2 4.05Å; M56-I82 PolarHBondContact N-O 3.44Å; M56-V83 HydrophobicContact CB-CG2 4.34Å; M56-L84 PolarHBondContact O-N 2.93Å |
| 57 | G | 98.6 | Very high | 97.9 | Very high | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.01 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 109.4 | 176 | 0 | 0 | 0 | 0 | 0 | 111.3 | V32 G34 Y55 | V32-G57 PolarHBondContact O-N 3.12Å; V32-G57 VanDerWaalsContact O-N 3.1Å; G34-G57 PolarHBondContact N-O 3.5Å; Y55-G57 PolarHBondContact O-N 3.45Å |
| 58 | C | 97.7 | Very high | 97.9 | Very high | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.007 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 136.7 | -172.1 | -61.2 | 0 | 0 | 0 | 0 | 112.4 | N36 M56 A64 V83 L84 P85 L86 | N36-C58 HydrophobicContact CB-CB 4.38Å; N36-C58 PolarHBondContact N-SG 3.07Å; M56-C58 PolarHBondContact O-N 3.4Å; M56-C58 PolarHBondContact O-SG 2.92Å; M56-C58 VanDerWaalsContact O-SG 3.41Å; C58-A64 HydrophobicContact CB-CB 3.72Å; C58-V83 HydrophobicContact CB-CG1 4.42Å; C58-L84 PolarHBondContact N-O 3.37Å; C58-P85 WeakPolarHBondContact O-CA 3.32Å; C58-L86 CarbonylContact C-O 3.49Å; C58-L86 PolarHBondContact O-N 3.42Å |
| 59 | R | 95.6 | Very high | 97.9 | Very high | 148 Ų | 148 | 48.5 Ų | 48.5 | 56% | 0.558 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -69.6 | -35.9 | 175.8 | -176.2 | 178.1 | 65 | -177.5 | 1.9 | 114.1 | L86 D87 | R59-L86 WeakPolarHBondContact CA-O 3.33Å; R59-L86 PolarHBondContact N-O 3.05Å; R59-L86 VanDerWaalsContact N-O 3.08Å; R59-D87 VanDerWaalsContact CD-OD1 3.31Å; R59-D87 WeakPolarHBondContact CD-OD1 3.5Å; R59-D87 WeakPolarHBondContact CD-OD2 3.49Å; R59-D87 HydrophobicContact CG-CB 3.99Å |
| 60 | S | 96.4 | Very high | 97.9 | Very high | 36 Ų | 36 | 48.6 Ų | 48.6 | 25% | 0.252 | 24% | 0.243 | S | C | . | . | trans | -112.1 | 103.8 | -175 | 172.9 | 0 | 0 | 0 | 0 | 109.6 | T62 K63 A64 | S60-T62 PolarHBondContact O-N 2.83Å; S60-K63 PolarHBondContact O-N 2.92Å; S60-K63 VanDerWaalsContact O-N 3.14Å; S60-K63 WeakPolarHBondContact OG-CG 3.2Å; S60-A64 PolarHBondContact O-N 2.63Å | ||
| 61 | M | 97.4 | Very high | 97.9 | Very high | 70 Ų | 70 | 47.3 Ų | 47.3 | 35% | 0.345 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -58.9 | -46.7 | -179 | -61.6 | -52.5 | -65 | 0 | 0 | 111.5 | K63 A64 D65 V83 P85 | M61-K63 VanDerWaalsContact C-N 3.26Å; M61-K63 PolarHBondContact O-N 2.84Å; M61-K63 VanDerWaalsContact O-N 3.12Å; M61-A64 CarbonylContact O-C 3.54Å; M61-A64 WeakPolarHBondContact O-CA 3.3Å; M61-A64 WeakPolarHBondContact O-CB 3.42Å; M61-A64 PolarHBondContact O-N 3.38Å; M61-D65 VanDerWaalsContact O-CG 3.23Å; M61-D65 PolarHBondContact O-N 3.08Å; M61-V83 HydrophobicContact CE-CB 3.91Å; M61-V83 HydrophobicContact CE-CG1 3.31Å; M61-V83 HydrophobicContact SD-CG1 3.78Å; M61-P85 HydrophobicContact SD-CB 4.06Å |
| 62 | T | 97.8 | Very high | 98 | Very high | 115 Ų | 115 | 49.4 Ų | 49.4 | 71% | 0.706 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -53 | -40.7 | 175.1 | -43.4 | 0 | 0 | 0 | 0 | 113.5 | S60 K66 | S60-T62 PolarHBondContact O-N 2.83Å; T62-K66 PolarHBondContact O-N 3.19Å |
| 63 | K | 96.8 | Very high | 97.9 | Very high | 109 Ų | 109 | 53.6 Ų | 53.6 | 47% | 0.474 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -75.2 | -31.2 | 177.4 | -70.1 | 176.7 | -177.7 | 164.9 | 0 | 112 | N36 S60 M61 A67 | N36-K63 VanDerWaalsContact ND2-CB 3.35Å; N36-K63 WeakPolarHBondContact ND2-CB 3.14Å; S60-K63 PolarHBondContact O-N 2.92Å; S60-K63 VanDerWaalsContact O-N 3.14Å; S60-K63 WeakPolarHBondContact OG-CG 3.2Å; M61-K63 VanDerWaalsContact C-N 3.26Å; M61-K63 PolarHBondContact O-N 2.84Å; M61-K63 VanDerWaalsContact O-N 3.12Å; K63-A67 WeakPolarHBondContact O-CB 3.33Å; K63-A67 PolarHBondContact O-N 3.25Å; K63-A67 VanDerWaalsContact O-N 3.09Å |
| 64 | A | 97.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -71.1 | -43.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | N36 C58 S60 M61 K66 A67 V68 V83 | N36-A64 HydrophobicContact CB-CB 4.18Å; C58-A64 HydrophobicContact CB-CB 3.72Å; S60-A64 PolarHBondContact O-N 2.63Å; M61-A64 CarbonylContact O-C 3.54Å; M61-A64 WeakPolarHBondContact O-CA 3.3Å; M61-A64 WeakPolarHBondContact O-CB 3.42Å; M61-A64 PolarHBondContact O-N 3.38Å; A64-K66 VanDerWaalsContact C-N 3.34Å; A64-K66 PolarHBondContact O-N 2.98Å; A64-A67 CarbonylContact O-C 3.49Å; A64-A67 WeakPolarHBondContact O-CA 3.42Å; A64-A67 VanDerWaalsContact O-CB 3.3Å; A64-A67 WeakPolarHBondContact O-CB 3.45Å; A64-A67 PolarHBondContact O-N 3.48Å; A64-V68 WeakPolarHBondContact O-CG2 3.32Å; A64-V68 PolarHBondContact O-N 3.09Å; A64-V83 HydrophobicContact CB-CB 4.36Å; A64-V83 HydrophobicContact CB-CG1 3.37Å; A64-V83 HydrophobicContact CB-CG2 4.04Å |
| 65 | D | 97.7 | Very high | 97.7 | Very high | 85 Ų | 85 | 55.6 Ų | 55.6 | 46% | 0.455 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -59.4 | -46.7 | 175.6 | -59.4 | -28.7 | 0 | 0 | 0 | 110.7 | M61 A67 V68 T69 | M61-D65 VanDerWaalsContact O-CG 3.23Å; M61-D65 PolarHBondContact O-N 3.08Å; D65-A67 VanDerWaalsContact C-N 3.27Å; D65-A67 PolarHBondContact O-N 3.35Å; D65-V68 WeakPolarHBondContact O-CB 3.4Å; D65-V68 PolarHBondContact O-N 3.02Å; D65-V68 VanDerWaalsContact O-N 3.11Å; D65-T69 PolarHBondContact O-N 3.15Å; D65-T69 PolarHBondContact O-OG1 3.07Å |
| 66 | K | 98 | Very high | 97.7 | Very high | 134 Ų | 134 | 55.8 Ų | 55.8 | 58% | 0.583 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -57.2 | -41.2 | 172.3 | 179.1 | 169.9 | 177.8 | 164.6 | 0 | 112.1 | T62 A64 T69 E70 | T62-K66 PolarHBondContact O-N 3.19Å; A64-K66 VanDerWaalsContact C-N 3.34Å; A64-K66 PolarHBondContact O-N 2.98Å; K66-T69 PolarHBondContact O-N 3.27Å; K66-E70 WeakPolarHBondContact CE-OE1 3.26Å; K66-E70 WeakPolarHBondContact O-CG 3.44Å; K66-E70 PolarHBondContact O-N 3.47Å |
| 67 | A | 97.8 | Very high | 97.7 | Very high | 2 Ų | 2 | 57.4 Ų | 57.4 | 2% | 0.017 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -65 | -40.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | N36 K41 M56 K63 A64 D65 E70 L71 | N36-A67 HydrophobicContact CB-CB 4.22Å; N36-A67 WeakPolarHBondContact O-CB 3.44Å; K41-A67 HydrophobicContact CD-CB 4.15Å; M56-A67 HydrophobicContact CE-CB 4.27Å; K63-A67 WeakPolarHBondContact O-CB 3.33Å; K63-A67 PolarHBondContact O-N 3.25Å; K63-A67 VanDerWaalsContact O-N 3.09Å; A64-A67 CarbonylContact O-C 3.49Å; A64-A67 WeakPolarHBondContact O-CA 3.42Å; A64-A67 VanDerWaalsContact O-CB 3.3Å; A64-A67 WeakPolarHBondContact O-CB 3.45Å; A64-A67 PolarHBondContact O-N 3.48Å; D65-A67 VanDerWaalsContact C-N 3.27Å; D65-A67 PolarHBondContact O-N 3.35Å; A67-E70 PolarHBondContact O-N 3.01Å; A67-L71 WeakPolarHBondContact O-CB 3.17Å; A67-L71 WeakPolarHBondContact O-CG 3.35Å; A67-L71 PolarHBondContact O-N 3.4Å |
| 68 | V | 98.5 | Very high | 97.6 | Very high | 25 Ų | 25 | 60 Ų | 60 | 15% | 0.152 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -61.4 | -49 | 174.5 | 173.1 | 0 | 0 | 0 | 0 | 110.5 | M56 A64 D65 E70 L71 V72 L81 V83 | M56-V68 HydrophobicContact SD-CG2 3.94Å; A64-V68 WeakPolarHBondContact O-CG2 3.32Å; A64-V68 PolarHBondContact O-N 3.09Å; D65-V68 WeakPolarHBondContact O-CB 3.4Å; D65-V68 PolarHBondContact O-N 3.02Å; D65-V68 VanDerWaalsContact O-N 3.11Å; V68-E70 VanDerWaalsContact C-N 3.31Å; V68-E70 PolarHBondContact O-N 3.24Å; V68-L71 WeakPolarHBondContact O-CB 3.4Å; V68-L71 PolarHBondContact O-N 3.39Å; V68-V72 HydrophobicContact CG1-CG2 4.12Å; V68-V72 WeakPolarHBondContact O-CG2 3.21Å; V68-V72 PolarHBondContact O-N 3.15Å; V68-L81 HydrophobicContact CG1-CB 4.39Å; V68-L81 HydrophobicContact CG1-CD1 4.3Å; V68-L81 HydrophobicContact CG2-CB 4.35Å; V68-V83 HydrophobicContact CG2-CG2 3.58Å |
| 69 | T | 98.3 | Very high | 97.6 | Very high | 97 Ų | 97 | 65.2 Ų | 65.2 | 60% | 0.595 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -54.7 | -47.6 | 176.1 | -53.8 | 0 | 0 | 0 | 0 | 111.6 | D65 K66 L71 V72 A73 | D65-T69 PolarHBondContact O-N 3.15Å; D65-T69 PolarHBondContact O-OG1 3.07Å; K66-T69 PolarHBondContact O-N 3.27Å; T69-L71 VanDerWaalsContact C-N 3.32Å; T69-L71 PolarHBondContact O-N 3.15Å; T69-V72 PolarHBondContact O-N 3.5Å; T69-A73 WeakPolarHBondContact O-CB 3.3Å; T69-A73 PolarHBondContact O-N 3.4Å |
| 70 | E | 98.2 | Very high | 97.7 | Very high | 89 Ų | 89 | 61.6 Ų | 61.6 | 42% | 0.416 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -65.1 | -33.4 | 178.3 | -71.8 | 172.1 | -177 | 0 | 0 | 112.7 | K41 K66 A67 V68 S74 | K41-E70 IonicContact NZ-OE2 2.82Å; K41-E70 PolarHBondContact NZ-OE2 3.3Å; K66-E70 WeakPolarHBondContact CE-OE1 3.26Å; K66-E70 WeakPolarHBondContact O-CG 3.44Å; K66-E70 PolarHBondContact O-N 3.47Å; A67-E70 PolarHBondContact O-N 3.01Å; V68-E70 VanDerWaalsContact C-N 3.31Å; V68-E70 PolarHBondContact O-N 3.24Å; E70-S74 PolarHBondContact O-N 2.91Å |
| 71 | L | 98.5 | Very high | 97.8 | Very high | 2 Ų | 2 | 60.5 Ų | 60.5 | 1% | 0.01 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -71.8 | -45.6 | 176.6 | -73.3 | 173.1 | 0 | 0 | 0 | 111.4 | K41 R45 M56 A67 V68 T69 S74 G75 C76 L81 | K41-L71 HydrophobicContact CG-CD1 4.27Å; K41-L71 HydrophobicContact CG-CD2 4.1Å; K41-L71 HydrophobicContact CG-CG 4.31Å; R45-L71 HydrophobicContact CB-CD2 3.43Å; R45-L71 VanDerWaalsContact CB-CD2 3.43Å; R45-L71 HydrophobicContact CG-CD2 3.71Å; M56-L71 HydrophobicContact CE-CD1 3.98Å; M56-L71 HydrophobicContact SD-CD1 4.21Å; A67-L71 WeakPolarHBondContact O-CB 3.17Å; A67-L71 WeakPolarHBondContact O-CG 3.35Å; A67-L71 PolarHBondContact O-N 3.4Å; V68-L71 WeakPolarHBondContact O-CB 3.4Å; V68-L71 PolarHBondContact O-N 3.39Å; T69-L71 VanDerWaalsContact C-N 3.32Å; T69-L71 PolarHBondContact O-N 3.15Å; L71-S74 WeakPolarHBondContact O-CA 3.15Å; L71-S74 WeakPolarHBondContact O-CB 3.23Å; L71-S74 PolarHBondContact O-N 3.42Å; L71-S74 PolarHBondContact O-OG 2.79Å; L71-G75 PolarHBondContact O-N 3.39Å; L71-C76 HydrophobicContact CB-CB 4.04Å; L71-C76 WeakPolarHBondContact O-CB 3.39Å; L71-C76 PolarHBondContact O-N 2.99Å; L71-C76 VanDerWaalsContact O-N 3.07Å; L71-L81 HydrophobicContact CB-CD1 3.75Å; L71-L81 HydrophobicContact CD1-CD1 3.89Å; L71-L81 HydrophobicContact CD1-CD2 4.34Å; L71-L81 HydrophobicContact CG-CD1 4.48Å |
| 72 | V | 98.4 | Very high | 97.9 | Very high | 57 Ų | 57 | 59 Ų | 59 | 35% | 0.345 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.7 | -45.1 | 177.5 | 173.6 | 0 | 0 | 0 | 0 | 110.5 | V68 T69 S74 G75 C76 A78 L81 | V68-V72 HydrophobicContact CG1-CG2 4.12Å; V68-V72 WeakPolarHBondContact O-CG2 3.21Å; V68-V72 PolarHBondContact O-N 3.15Å; T69-V72 PolarHBondContact O-N 3.5Å; V72-S74 PolarHBondContact O-N 3.43Å; V72-S74 VanDerWaalsContact O-N 3.13Å; V72-G75 PolarHBondContact O-N 2.92Å; V72-C76 WeakPolarHBondContact CA-O 3.28Å; V72-A78 HydrophobicContact CG2-CB 3.67Å; V72-L81 HydrophobicContact CG2-CD1 4.42Å |
| 73 | A | 98 | Very high | 97.9 | Very high | 88 Ų | 88 | 54.7 Ų | 54.7 | 73% | 0.727 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -59.5 | -24.7 | 174 | 0 | 0 | 0 | 0 | 0 | 113.1 | T69 | T69-A73 WeakPolarHBondContact O-CB 3.3Å; T69-A73 PolarHBondContact O-N 3.4Å |
| 74 | S | 96 | Very high | 98 | Very high | 55 Ų | 55 | 50.2 Ų | 50.2 | 39% | 0.385 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -81.5 | -16.4 | 173.7 | 75.7 | 0 | 0 | 0 | 0 | 113.5 | Y49 E70 L71 V72 | Y49-S74 PolarHBondContact OH-O 3.48Å; Y49-S74 PolarHBondContact OH-OG 3.19Å; E70-S74 PolarHBondContact O-N 2.91Å; L71-S74 WeakPolarHBondContact O-CA 3.15Å; L71-S74 WeakPolarHBondContact O-CB 3.23Å; L71-S74 PolarHBondContact O-N 3.42Å; L71-S74 PolarHBondContact O-OG 2.79Å; V72-S74 PolarHBondContact O-N 3.43Å; V72-S74 VanDerWaalsContact O-N 3.13Å |
| 75 | G | 97.5 | Very high | 98 | Very high | 51 Ų | 51 | 53.9 Ų | 53.9 | 53% | 0.526 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 117 | 11.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y49 L71 V72 | Y49-G75 WeakPolarHBondContact CE1-O 3.34Å; L71-G75 PolarHBondContact O-N 3.39Å; V72-G75 PolarHBondContact O-N 2.92Å |
| 76 | C | 98.3 | Very high | 98.1 | Very high | 7 Ų | 7 | 50.1 Ų | 50.1 | 5% | 0.047 | 30% | 0.304 | C | S | . | . | trans | -72.3 | 153.2 | 168.1 | -68.5 | 0 | 0 | 0 | 0 | 111.4 | N48 L71 V72 L81 | N48-C76 HydrophobicContact CB-CB 4.46Å; N48-C76 VanDerWaalsContact OD1-CA 3.23Å; N48-C76 WeakPolarHBondContact OD1-CA 3.46Å; N48-C76 WeakPolarHBondContact OD1-CB 3.32Å; L71-C76 HydrophobicContact CB-CB 4.04Å; L71-C76 WeakPolarHBondContact O-CB 3.39Å; L71-C76 PolarHBondContact O-N 2.99Å; L71-C76 VanDerWaalsContact O-N 3.07Å; V72-C76 WeakPolarHBondContact CA-O 3.28Å; C76-L81 HydrophobicContact CB-CD1 3.91Å | ||
| 77 | S | 98.3 | Very high | 98.1 | Very high | 34 Ų | 34 | 46 Ų | 46 | 24% | 0.238 | 29% | 0.288 | C | S | . | . | trans | -87.8 | 118.2 | 176.7 | -147.2 | 0 | 0 | 0 | 0 | 109.8 | N48 D79 R80 | N48-S77 PolarHBondContact ND2-O 3.02Å; N48-S77 PolarHBondContact OD1-N 2.82Å; S77-D79 VanDerWaalsContact C-N 3.35Å; S77-D79 VanDerWaalsContact CB-OD1 3.22Å; S77-D79 WeakPolarHBondContact CB-OD1 3.45Å; S77-D79 PolarHBondContact O-N 3.03Å; S77-D79 PolarHBondContact OG-OD1 3.29Å; S77-R80 PolarHBondContact O-N 2.81Å; S77-R80 PolarHBondContact OG-NH1 3.02Å; S77-R80 PolarHBondContact OG-NH2 2.67Å | ||
| 78 | A | 97.6 | Very high | 98.1 | Very high | 54 Ų | 54 | 46.3 Ų | 46.3 | 45% | 0.446 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -62.3 | -39.1 | -175 | 0 | 0 | 0 | 0 | 0 | 112.9 | V72 R80 L81 | V72-A78 HydrophobicContact CG2-CB 3.67Å; A78-R80 PolarHBondContact O-N 3.34Å; A78-R80 VanDerWaalsContact O-N 3.12Å; A78-L81 PolarHBondContact O-N 3.01Å |
| 79 | D | 97.4 | Very high | 98.1 | Very high | 111 Ų | 111 | 46.5 Ų | 46.5 | 59% | 0.594 | 29% | 0.292 | S | S | * | . | G | 310 helix | trans | -58.4 | -23 | 177.2 | 60.1 | -57.8 | 0 | 0 | 0 | 113.8 | S77 | S77-D79 VanDerWaalsContact C-N 3.35Å; S77-D79 VanDerWaalsContact CB-OD1 3.22Å; S77-D79 WeakPolarHBondContact CB-OD1 3.45Å; S77-D79 PolarHBondContact O-N 3.03Å; S77-D79 PolarHBondContact OG-OD1 3.29Å |
| 80 | R | 98.2 | Very high | 98.1 | Very high | 73 Ų | 73 | 43 Ų | 43 | 28% | 0.275 | 27% | 0.272 | S | S | . | . | G | 310 helix | trans | -105 | 9.3 | 179.5 | -70.8 | -167.7 | -54.8 | -78.8 | 6.5 | 113.5 | N48 G51 A52 V54 S77 A78 | N48-R80 VanDerWaalsContact ND2-CB 3.26Å; N48-R80 WeakPolarHBondContact ND2-CB 3.26Å; N48-R80 PolarHBondContact ND2-O 2.78Å; G51-R80 WeakPolarHBondContact O-CD 3.39Å; G51-R80 PolarHBondContact O-NE 2.95Å; A52-R80 WeakPolarHBondContact O-CB 3.48Å; V54-R80 PolarHBondContact N-O 3.06Å; S77-R80 PolarHBondContact O-N 2.81Å; S77-R80 PolarHBondContact OG-NH1 3.02Å; S77-R80 PolarHBondContact OG-NH2 2.67Å; A78-R80 PolarHBondContact O-N 3.34Å; A78-R80 VanDerWaalsContact O-N 3.12Å |
| 81 | L | 98.6 | Very high | 98.1 | Very high | 13 Ų | 13 | 39.6 Ų | 39.6 | 7% | 0.068 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 102.1 | 172.1 | -67.6 | 177.1 | 0 | 0 | 0 | 109.3 | N48 V54 M56 V68 L71 V72 C76 A78 | N48-L81 HydrophobicContact CB-CD2 3.9Å; N48-L81 WeakPolarHBondContact ND2-CG 3.15Å; V54-L81 HydrophobicContact CB-CD2 4.23Å; M56-L81 HydrophobicContact SD-CB 4.38Å; M56-L81 HydrophobicContact SD-CD2 4.05Å; V68-L81 HydrophobicContact CG1-CB 4.39Å; V68-L81 HydrophobicContact CG1-CD1 4.3Å; V68-L81 HydrophobicContact CG2-CB 4.35Å; L71-L81 HydrophobicContact CB-CD1 3.75Å; L71-L81 HydrophobicContact CD1-CD1 3.89Å; L71-L81 HydrophobicContact CD1-CD2 4.34Å; L71-L81 HydrophobicContact CG-CD1 4.48Å; V72-L81 HydrophobicContact CG2-CD1 4.42Å; C76-L81 HydrophobicContact CB-CD1 3.91Å; A78-L81 PolarHBondContact O-N 3.01Å |
| 82 | I | 98.5 | Very high | 98.1 | Very high | 37 Ų | 37 | 45.8 Ų | 45.8 | 19% | 0.19 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 117.4 | -175.8 | -56.6 | 84.2 | 0 | 0 | 0 | 107.8 | K53 V54 Y55 M56 L84 | K53-I82 HydrophobicContact CD-CD1 3.9Å; K53-I82 HydrophobicContact CG-CD1 3.35Å; V54-I82 PolarHBondContact O-N 3.46Å; Y55-I82 CarbonylContact C-O 3.51Å; Y55-I82 VanDerWaalsContact CA-O 3.32Å; Y55-I82 WeakPolarHBondContact CA-O 3.42Å; Y55-I82 HydrophobicContact CD1-CB 3.8Å; Y55-I82 HydrophobicContact CD1-CG2 3.75Å; Y55-I82 HydrophobicContact CE1-CB 3.83Å; Y55-I82 HydrophobicContact CE1-CG1 4.36Å; Y55-I82 HydrophobicContact CE1-CG2 3.55Å; Y55-I82 HydrophobicContact CG-CB 4.4Å; M56-I82 PolarHBondContact N-O 3.44Å; I82-L84 HydrophobicContact CG2-CG 4.45Å |
| 83 | V | 98.4 | Very high | 98.1 | Very high | 26 Ų | 26 | 44.2 Ų | 44.2 | 16% | 0.158 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 129.7 | 175.3 | -172.9 | 0 | 0 | 0 | 0 | 108.9 | M56 C58 M61 A64 V68 | M56-V83 HydrophobicContact CB-CG2 4.34Å; C58-V83 HydrophobicContact CB-CG1 4.42Å; M61-V83 HydrophobicContact CE-CB 3.91Å; M61-V83 HydrophobicContact CE-CG1 3.31Å; M61-V83 HydrophobicContact SD-CG1 3.78Å; A64-V83 HydrophobicContact CB-CB 4.36Å; A64-V83 HydrophobicContact CB-CG1 3.37Å; A64-V83 HydrophobicContact CB-CG2 4.04Å; V68-V83 HydrophobicContact CG2-CG2 3.58Å |
| 84 | L | 98.3 | Very high | 98.1 | Very high | 14 Ų | 14 | 40 Ų | 40 | 7% | 0.073 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 140.5 | 169.1 | -67.1 | 178.5 | 0 | 0 | 0 | 109.4 | Y55 M56 C58 I82 L86 F97 A100 L101 | Y55-L84 HydrophobicContact CD1-CD1 3.54Å; Y55-L84 HydrophobicContact CD1-CG 3.99Å; Y55-L84 HydrophobicContact CE1-CD1 3.85Å; Y55-L84 HydrophobicContact CE1-CG 4.38Å; M56-L84 PolarHBondContact O-N 2.93Å; C58-L84 PolarHBondContact N-O 3.37Å; I82-L84 HydrophobicContact CG2-CG 4.45Å; L84-L86 PolarHBondContact O-N 2.92Å; L84-F97 HydrophobicContact CB-CD2 3.59Å; L84-F97 HydrophobicContact CB-CE2 3.57Å; L84-F97 HydrophobicContact CD1-CD2 4.27Å; L84-F97 HydrophobicContact CD1-CE2 4.14Å; L84-F97 HydrophobicContact CG-CE2 4.46Å; L84-A100 HydrophobicContact CD1-CB 4.11Å; L84-A100 HydrophobicContact CD2-CB 4.31Å; L84-L101 HydrophobicContact CD1-CD2 4.08Å; L84-L101 HydrophobicContact CD1-CG 4.02Å |
| 85 | P | 98.4 | Very high | 98.2 | Very high | 77 Ų | 77 | 40 Ų | 40 | 50% | 0.5 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 130.5 | 176.9 | 26.8 | -33.2 | 0 | 0 | 0 | 110 | C58 M61 F97 | C58-P85 WeakPolarHBondContact O-CA 3.32Å; M61-P85 HydrophobicContact SD-CB 4.06Å; P85-F97 WeakPolarHBondContact O-CD2 3.48Å |
| 86 | L | 98.7 | Very high | 98.3 | Very high | 7 Ų | 7 | 42 Ų | 42 | 4% | 0.037 | 24% | 0.235 | C | C | . | . | trans | -148.6 | 106.4 | 176.6 | 179.8 | 61.1 | 0 | 0 | 0 | 109.9 | T33 C58 R59 L84 L88 I94 F97 L144 | T33-L86 HydrophobicContact CG2-CD2 3.74Å; C58-L86 CarbonylContact C-O 3.49Å; C58-L86 PolarHBondContact O-N 3.42Å; R59-L86 WeakPolarHBondContact CA-O 3.33Å; R59-L86 PolarHBondContact N-O 3.05Å; R59-L86 VanDerWaalsContact N-O 3.08Å; L84-L86 PolarHBondContact O-N 2.92Å; L86-L88 HydrophobicContact CD1-CD2 3.99Å; L86-L88 HydrophobicContact CD2-CD2 4.07Å; L86-L88 HydrophobicContact CG-CD2 3.97Å; L86-L88 HydrophobicContact CG-CG 4.37Å; L86-I94 HydrophobicContact CD1-CG1 4.14Å; L86-F97 HydrophobicContact CB-CD2 3.76Å; L86-F97 HydrophobicContact CB-CE2 4.15Å; L86-F97 HydrophobicContact CB-CG 4.22Å; L86-F97 HydrophobicContact CD1-CB 3.84Å; L86-F97 HydrophobicContact CD1-CD1 4.21Å; L86-F97 HydrophobicContact CD1-CD2 4.3Å; L86-F97 HydrophobicContact CD1-CG 3.87Å; L86-F97 HydrophobicContact CD2-CD1 4.35Å; L86-F97 HydrophobicContact CD2-CD2 4.28Å; L86-F97 HydrophobicContact CD2-CE1 4.28Å; L86-F97 HydrophobicContact CD2-CE2 4.19Å; L86-F97 HydrophobicContact CD2-CG 4.36Å; L86-F97 HydrophobicContact CD2-CZ 4.21Å; L86-F97 HydrophobicContact CG-CD2 4.33Å; L86-F97 HydrophobicContact CG-CG 4.37Å; L86-L144 HydrophobicContact CD2-CD2 4.42Å | ||
| 87 | D | 98.2 | Very high | 98.3 | Very high | 46 Ų | 46 | 41.8 Ų | 41.8 | 25% | 0.246 | 23% | 0.233 | C | C | . | . | trans | -102 | 109.6 | 168.3 | -161.9 | -9.4 | 0 | 0 | 0 | 110.9 | R59 S89 S90 S93 | R59-D87 VanDerWaalsContact CD-OD1 3.31Å; R59-D87 WeakPolarHBondContact CD-OD1 3.5Å; R59-D87 WeakPolarHBondContact CD-OD2 3.49Å; R59-D87 HydrophobicContact CG-CB 3.99Å; D87-S89 PolarHBondContact O-N 2.5Å; D87-S89 VanDerWaalsContact O-N 3.15Å; D87-S89 PolarHBondContact OD1-N 3.21Å; D87-S89 VanDerWaalsContact OD1-N 3.17Å; D87-S89 PolarHBondContact OD1-OG 2.94Å; D87-S89 PolarHBondContact OD2-OG 3.42Å; D87-S90 PolarHBondContact O-N 2.85Å; D87-S90 VanDerWaalsContact O-N 3.16Å; D87-S93 PolarHBondContact N-OG 3.44Å; D87-S93 WeakPolarHBondContact O-CB 3.44Å | ||
| 88 | L | 98.3 | Very high | 98.3 | Very high | 9 Ų | 9 | 40.2 Ų | 40.2 | 5% | 0.047 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | 2.5 | -179.7 | -63.2 | 177 | 0 | 0 | 0 | 113.5 | L86 I94 A115 V136 S140 | L86-L88 HydrophobicContact CD1-CD2 3.99Å; L86-L88 HydrophobicContact CD2-CD2 4.07Å; L86-L88 HydrophobicContact CG-CD2 3.97Å; L86-L88 HydrophobicContact CG-CG 4.37Å; L88-I94 HydrophobicContact CD2-CG1 4.49Å; L88-A115 HydrophobicContact CD1-CB 3.44Å; L88-A115 VanDerWaalsContact CD1-CB 3.44Å; L88-V136 HydrophobicContact CB-CG1 4.19Å; L88-V136 WeakPolarHBondContact O-CA 3.11Å; L88-S140 WeakPolarHBondContact O-CB 3.46Å; L88-S140 PolarHBondContact O-OG 3.42Å |
| 89 | S | 97.6 | Very high | 98.4 | Very high | 29 Ų | 29 | 41.6 Ų | 41.6 | 20% | 0.203 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96 | 15.2 | 166.9 | 61.5 | 0 | 0 | 0 | 0 | 113.7 | D87 | D87-S89 PolarHBondContact O-N 2.5Å; D87-S89 VanDerWaalsContact O-N 3.15Å; D87-S89 PolarHBondContact OD1-N 3.21Å; D87-S89 VanDerWaalsContact OD1-N 3.17Å; D87-S89 PolarHBondContact OD1-OG 2.94Å; D87-S89 PolarHBondContact OD2-OG 3.42Å |
| 90 | S | 98.4 | Very high | 98.4 | Very high | 25 Ų | 25 | 37.2 Ų | 37.2 | 18% | 0.175 | 20% | 0.201 | C | C | . | . | trans | -143 | 118.5 | 178.4 | 168.5 | 0 | 0 | 0 | 0 | 110.3 | D87 E92 S93 I94 D128 | D87-S90 PolarHBondContact O-N 2.85Å; D87-S90 VanDerWaalsContact O-N 3.16Å; S90-E92 VanDerWaalsContact C-N 3.32Å; S90-S93 WeakPolarHBondContact O-CB 3.33Å; S90-S93 PolarHBondContact O-N 2.86Å; S90-S93 PolarHBondContact OG-N 2.65Å; S90-I94 PolarHBondContact O-N 3.32Å; S90-D128 WeakPolarHBondContact CA-OD2 3.22Å | ||
| 91 | F | 98.4 | Very high | 98.4 | Very high | 16 Ų | 16 | 33.7 Ų | 33.7 | 7% | 0.07 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65.6 | -36.1 | 173.7 | -66 | -41 | 0 | 0 | 0 | 112.1 | S93 I94 D95 D128 H130 Q135 L139 A143 A310 C311 | F91-S93 VanDerWaalsContact C-N 3.28Å; F91-S93 PolarHBondContact O-N 2.89Å; F91-I94 HydrophobicContact CD1-CD1 3.9Å; F91-I94 WeakPolarHBondContact O-CA 3.33Å; F91-I94 VanDerWaalsContact O-CB 3.31Å; F91-I94 WeakPolarHBondContact O-CB 3.4Å; F91-I94 PolarHBondContact O-N 2.91Å; F91-D95 PolarHBondContact O-N 2.75Å; F91-D128 HydrophobicContact CD2-CB 3.66Å; F91-D128 HydrophobicContact CE2-CB 3.82Å; F91-D128 HydrophobicContact CG-CB 4.48Å; F91-D128 PolarHBondContact N-OD2 3.11Å; F91-H130 AromaticContact CE2-CD2 3.79Å; F91-H130 AromaticContact CE2-NE2 3.95Å; F91-H130 AromaticContact CZ-CD2 4Å; F91-Q135 HydrophobicContact CE1-CG 4.17Å; F91-Q135 HydrophobicContact CZ-CG 4.23Å; F91-L139 HydrophobicContact CE1-CB 4.13Å; F91-L139 HydrophobicContact CZ-CB 3.97Å; F91-L139 HydrophobicContact CZ-CD1 4.38Å; F91-A143 HydrophobicContact CD1-CB 4.23Å; F91-A143 HydrophobicContact CE1-CB 4.31Å; F91-A310 VanDerWaalsContact CE2-O 3.25Å; F91-A310 WeakPolarHBondContact CE2-O 3.24Å; F91-C311 HydrophobicContact CZ-CB 4.45Å |
| 92 | E | 98.2 | Very high | 98.4 | Very high | 133 Ų | 133 | 37.6 Ų | 37.6 | 62% | 0.621 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -56.4 | -42.2 | 171.3 | -174 | -167.9 | 169.3 | 0 | 0 | 111.8 | S90 I94 D95 N96 | S90-E92 VanDerWaalsContact C-N 3.32Å; E92-I94 PolarHBondContact O-N 2.86Å; E92-D95 PolarHBondContact O-N 2.89Å; E92-N96 PolarHBondContact O-N 3.25Å; E92-N96 PolarHBondContact O-ND2 3.45Å |
| 93 | S | 98.6 | Very high | 98.3 | Very high | 23 Ų | 23 | 42.8 Ų | 42.8 | 16% | 0.161 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.4 | -30.9 | 175.1 | -177.7 | 0 | 0 | 0 | 0 | 112.7 | D87 S90 F91 F97 | D87-S93 PolarHBondContact N-OG 3.44Å; D87-S93 WeakPolarHBondContact O-CB 3.44Å; S90-S93 WeakPolarHBondContact O-CB 3.33Å; S90-S93 PolarHBondContact O-N 2.86Å; S90-S93 PolarHBondContact OG-N 2.65Å; F91-S93 VanDerWaalsContact C-N 3.28Å; F91-S93 PolarHBondContact O-N 2.89Å; S93-F97 WeakPolarHBondContact O-CB 3.44Å; S93-F97 PolarHBondContact O-N 3.49Å; S93-F97 VanDerWaalsContact O-N 3.1Å |
| 94 | I | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -70.3 | -44.3 | 175.7 | -61.5 | 173.7 | 0 | 0 | 0 | 109.8 | L86 L88 S90 F91 E92 N96 F97 V98 S140 A143 L144 K147 | L86-I94 HydrophobicContact CD1-CG1 4.14Å; L88-I94 HydrophobicContact CD2-CG1 4.49Å; S90-I94 PolarHBondContact O-N 3.32Å; F91-I94 HydrophobicContact CD1-CD1 3.9Å; F91-I94 WeakPolarHBondContact O-CA 3.33Å; F91-I94 VanDerWaalsContact O-CB 3.31Å; F91-I94 WeakPolarHBondContact O-CB 3.4Å; F91-I94 PolarHBondContact O-N 2.91Å; E92-I94 PolarHBondContact O-N 2.86Å; I94-N96 PolarHBondContact O-N 3.05Å; I94-F97 PolarHBondContact O-N 3.38Å; I94-V98 HydrophobicContact CG2-CG2 4.22Å; I94-V98 WeakPolarHBondContact O-CB 3.46Å; I94-V98 VanDerWaalsContact O-CG2 3.29Å; I94-V98 WeakPolarHBondContact O-CG2 3.4Å; I94-V98 PolarHBondContact O-N 3.48Å; I94-S140 VanDerWaalsContact CD1-CB 3.5Å; I94-A143 HydrophobicContact CD1-CB 3.95Å; I94-A143 HydrophobicContact CG2-CB 4.44Å; I94-L144 HydrophobicContact CG2-CB 4.17Å; I94-L144 HydrophobicContact CG2-CD1 4.03Å; I94-K147 HydrophobicContact CG2-CD 4.31Å |
| 95 | D | 98.4 | Very high | 98.3 | Very high | 55 Ų | 55 | 47.9 Ų | 47.9 | 29% | 0.294 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -59.5 | -47.5 | 177 | -74.6 | -36.6 | 0 | 0 | 0 | 111.7 | F91 E92 F97 V98 N99 K147 | F91-D95 PolarHBondContact O-N 2.75Å; E92-D95 PolarHBondContact O-N 2.89Å; D95-F97 VanDerWaalsContact C-N 3.32Å; D95-F97 PolarHBondContact O-N 3.32Å; D95-V98 PolarHBondContact O-N 3.13Å; D95-N99 WeakPolarHBondContact O-CB 3.22Å; D95-N99 PolarHBondContact O-N 3.39Å; D95-N99 PolarHBondContact O-ND2 2.96Å; D95-K147 WeakPolarHBondContact OD1-CD 3.45Å; D95-K147 WeakPolarHBondContact OD1-CE 3.46Å; D95-K147 IonicContact OD1-NZ 2.61Å; D95-K147 PolarHBondContact OD1-NZ 2.97Å; D95-K147 IonicContact OD2-NZ 2.55Å |
| 96 | N | 98.6 | Very high | 98.2 | Very high | 93 Ų | 93 | 50.1 Ų | 50.1 | 50% | 0.497 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -59.8 | -42.1 | 176.3 | -71.2 | -28.2 | 0 | 0 | 0 | 112.2 | E92 I94 A100 | E92-N96 PolarHBondContact O-N 3.25Å; E92-N96 PolarHBondContact O-ND2 3.45Å; I94-N96 PolarHBondContact O-N 3.05Å; N96-A100 WeakPolarHBondContact O-CB 3.36Å; N96-A100 PolarHBondContact O-N 3.01Å |
| 97 | F | 98.7 | Very high | 98.2 | Very high | 2 Ų | 2 | 52.4 Ų | 52.4 | 1% | 0.009 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.6 | -43.6 | 176.2 | 177.2 | -91.9 | 0 | 0 | 0 | 112.3 | V31 L84 P85 L86 S93 I94 D95 A100 L101 L144 | V31-F97 HydrophobicContact CG1-CE1 3.94Å; V31-F97 HydrophobicContact CG1-CZ 3.76Å; L84-F97 HydrophobicContact CB-CD2 3.59Å; L84-F97 HydrophobicContact CB-CE2 3.57Å; L84-F97 HydrophobicContact CD1-CD2 4.27Å; L84-F97 HydrophobicContact CD1-CE2 4.14Å; L84-F97 HydrophobicContact CG-CE2 4.46Å; P85-F97 WeakPolarHBondContact O-CD2 3.48Å; L86-F97 HydrophobicContact CB-CD2 3.76Å; L86-F97 HydrophobicContact CB-CE2 4.15Å; L86-F97 HydrophobicContact CB-CG 4.22Å; L86-F97 HydrophobicContact CD1-CB 3.84Å; L86-F97 HydrophobicContact CD1-CD1 4.21Å; L86-F97 HydrophobicContact CD1-CD2 4.3Å; L86-F97 HydrophobicContact CD1-CG 3.87Å; L86-F97 HydrophobicContact CD2-CD1 4.35Å; L86-F97 HydrophobicContact CD2-CD2 4.28Å; L86-F97 HydrophobicContact CD2-CE1 4.28Å; L86-F97 HydrophobicContact CD2-CE2 4.19Å; L86-F97 HydrophobicContact CD2-CG 4.36Å; L86-F97 HydrophobicContact CD2-CZ 4.21Å; L86-F97 HydrophobicContact CG-CD2 4.33Å; L86-F97 HydrophobicContact CG-CG 4.37Å; S93-F97 WeakPolarHBondContact O-CB 3.44Å; S93-F97 PolarHBondContact O-N 3.49Å; S93-F97 VanDerWaalsContact O-N 3.1Å; I94-F97 PolarHBondContact O-N 3.38Å; D95-F97 VanDerWaalsContact C-N 3.32Å; D95-F97 PolarHBondContact O-N 3.32Å; F97-A100 PolarHBondContact O-N 3.35Å; F97-L101 HydrophobicContact CD1-CD1 3.83Å; F97-L101 HydrophobicContact CE1-CD1 3.23Å; F97-L101 HydrophobicContact CE1-CG 4.19Å; F97-L101 HydrophobicContact CZ-CD1 3.74Å; F97-L101 HydrophobicContact CZ-CG 4.4Å; F97-L101 PolarHBondContact O-N 3.27Å; F97-L144 HydrophobicContact CD1-CD1 3.77Å; F97-L144 HydrophobicContact CE1-CD1 3.93Å |
| 98 | V | 98.6 | Very high | 98.2 | Very high | 2 Ų | 2 | 50.2 Ų | 50.2 | 1% | 0.012 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66.6 | -43.3 | 179.2 | 169.9 | 0 | 0 | 0 | 0 | 111.2 | I94 D95 L101 K102 L144 K147 L148 | I94-V98 HydrophobicContact CG2-CG2 4.22Å; I94-V98 WeakPolarHBondContact O-CB 3.46Å; I94-V98 VanDerWaalsContact O-CG2 3.29Å; I94-V98 WeakPolarHBondContact O-CG2 3.4Å; I94-V98 PolarHBondContact O-N 3.48Å; D95-V98 PolarHBondContact O-N 3.13Å; V98-L101 WeakPolarHBondContact O-CB 3.4Å; V98-L101 PolarHBondContact O-N 3.37Å; V98-L101 VanDerWaalsContact O-N 3.15Å; V98-K102 HydrophobicContact CG1-CD 3.95Å; V98-K102 HydrophobicContact CG1-CG 4.32Å; V98-K102 WeakPolarHBondContact O-CG 3.26Å; V98-K102 PolarHBondContact O-N 2.83Å; V98-L144 HydrophobicContact CG2-CD1 3.89Å; V98-K147 HydrophobicContact CG1-CB 4.09Å; V98-K147 HydrophobicContact CG2-CB 3.96Å; V98-L148 HydrophobicContact CB-CD2 4.38Å; V98-L148 HydrophobicContact CG1-CD2 4.01Å; V98-L148 HydrophobicContact CG2-CD2 3.95Å; V98-L148 HydrophobicContact CG2-CG 4.03Å |
| 99 | N | 98.5 | Very high | 98.2 | Very high | 83 Ų | 83 | 50.3 Ų | 50.3 | 44% | 0.444 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -61.8 | -45.7 | 177.7 | -69.9 | -18.6 | 0 | 0 | 0 | 110.6 | D95 L101 K102 E103 | D95-N99 WeakPolarHBondContact O-CB 3.22Å; D95-N99 PolarHBondContact O-N 3.39Å; D95-N99 PolarHBondContact O-ND2 2.96Å; N99-L101 VanDerWaalsContact C-N 3.25Å; N99-L101 PolarHBondContact O-N 3.37Å; N99-K102 PolarHBondContact O-N 2.86Å; N99-K102 VanDerWaalsContact O-N 3.13Å; N99-E103 WeakPolarHBondContact O-CG 3.17Å; N99-E103 PolarHBondContact O-N 2.95Å |
| 100 | A | 98.4 | Very high | 98.3 | Very high | 18 Ų | 18 | 49 Ų | 49 | 15% | 0.149 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59.8 | -34.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | L84 N96 F97 R104 | L84-A100 HydrophobicContact CD1-CB 4.11Å; L84-A100 HydrophobicContact CD2-CB 4.31Å; N96-A100 WeakPolarHBondContact O-CB 3.36Å; N96-A100 PolarHBondContact O-N 3.01Å; F97-A100 PolarHBondContact O-N 3.35Å; A100-R104 VanDerWaalsContact CA-NH1 3.33Å; A100-R104 VanDerWaalsContact O-CD 3.3Å; A100-R104 WeakPolarHBondContact O-CD 3.32Å; A100-R104 WeakPolarHBondContact O-CG 2.94Å; A100-R104 PolarHBondContact O-NH1 2.95Å |
| 101 | L | 97.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -68.1 | -48.5 | 172.5 | -80.8 | 172.2 | 0 | 0 | 0 | 112.1 | V31 Y55 L84 F97 V98 N99 E103 R104 E105 L148 L151 | V31-L101 HydrophobicContact CG2-CD1 3.69Å; V31-L101 HydrophobicContact CG2-CD2 4.16Å; Y55-L101 HydrophobicContact CD1-CD2 3.42Å; Y55-L101 VanDerWaalsContact CD1-CD2 3.42Å; Y55-L101 HydrophobicContact CD2-CD2 3.7Å; Y55-L101 HydrophobicContact CE1-CD2 3.67Å; Y55-L101 HydrophobicContact CE2-CD2 3.98Å; Y55-L101 HydrophobicContact CG-CD2 3.41Å; Y55-L101 VanDerWaalsContact CG-CD2 3.41Å; L84-L101 HydrophobicContact CD1-CD2 4.08Å; L84-L101 HydrophobicContact CD1-CG 4.02Å; F97-L101 HydrophobicContact CD1-CD1 3.83Å; F97-L101 HydrophobicContact CE1-CD1 3.23Å; F97-L101 HydrophobicContact CE1-CG 4.19Å; F97-L101 HydrophobicContact CZ-CD1 3.74Å; F97-L101 HydrophobicContact CZ-CG 4.4Å; F97-L101 PolarHBondContact O-N 3.27Å; V98-L101 WeakPolarHBondContact O-CB 3.4Å; V98-L101 PolarHBondContact O-N 3.37Å; V98-L101 VanDerWaalsContact O-N 3.15Å; N99-L101 VanDerWaalsContact C-N 3.25Å; N99-L101 PolarHBondContact O-N 3.37Å; L101-E103 PolarHBondContact O-N 3.4Å; L101-R104 PolarHBondContact O-N 2.83Å; L101-E105 PolarHBondContact O-N 3.25Å; L101-L148 HydrophobicContact CB-CD2 4.46Å; L101-L148 HydrophobicContact CD1-CD1 4.17Å; L101-L148 HydrophobicContact CD1-CD2 3.78Å; L101-L151 HydrophobicContact CB-CD1 4.44Å |
| 102 | K | 97.6 | Very high | 98.3 | Very high | 95 Ų | 95 | 47 Ų | 47 | 41% | 0.413 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -62.3 | -29.5 | -178.7 | -73.4 | 177.4 | 177.1 | 176.6 | 0 | 113.3 | V98 N99 R104 K147 L151 | V98-K102 HydrophobicContact CG1-CD 3.95Å; V98-K102 HydrophobicContact CG1-CG 4.32Å; V98-K102 WeakPolarHBondContact O-CG 3.26Å; V98-K102 PolarHBondContact O-N 2.83Å; N99-K102 PolarHBondContact O-N 2.86Å; N99-K102 VanDerWaalsContact O-N 3.13Å; K102-R104 VanDerWaalsContact C-N 3.28Å; K102-R104 PolarHBondContact O-N 3.4Å; K102-K147 WeakPolarHBondContact CE-O 3.49Å; K102-K147 PolarHBondContact NZ-O 2.84Å; K102-L151 HydrophobicContact CG-CD1 3.86Å; K102-L151 HydrophobicContact CG-CD2 4.46Å; K102-L151 HydrophobicContact CG-CG 4.23Å |
| 103 | E | 97.8 | Very high | 98.4 | Very high | 146 Ų | 146 | 40.7 Ų | 40.7 | 68% | 0.682 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -26 | 172.4 | -73.3 | 169.6 | 178.4 | 0 | 0 | 113.6 | N99 L101 | N99-E103 WeakPolarHBondContact O-CG 3.17Å; N99-E103 PolarHBondContact O-N 2.95Å; L101-E103 PolarHBondContact O-N 3.4Å |
| 104 | R | 98 | Very high | 98.3 | Very high | 122 Ų | 122 | 40.6 Ų | 40.6 | 46% | 0.46 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.7 | -21.4 | -168.8 | -67.1 | 169.8 | 179.3 | 65.8 | 3.5 | 113.3 | Y55 A100 L101 K102 | Y55-R104 WeakPolarHBondContact OH-CB 3.35Å; A100-R104 VanDerWaalsContact CA-NH1 3.33Å; A100-R104 VanDerWaalsContact O-CD 3.3Å; A100-R104 WeakPolarHBondContact O-CD 3.32Å; A100-R104 WeakPolarHBondContact O-CG 2.94Å; A100-R104 PolarHBondContact O-NH1 2.95Å; L101-R104 PolarHBondContact O-N 2.83Å; K102-R104 VanDerWaalsContact C-N 3.28Å; K102-R104 PolarHBondContact O-N 3.4Å |
| 105 | E | 98.1 | Very high | 98.1 | Very high | 25 Ų | 25 | 41.4 Ų | 41.4 | 12% | 0.117 | 21% | 0.209 | C | C | . | . | trans | -135.9 | 138 | -171.5 | -61 | -61.2 | 169.3 | 0 | 0 | 111.1 | V29 K53 Y55 L101 L151 | V29-E105 HydrophobicContact CG1-CG 4.12Å; K53-E105 VanDerWaalsContact CD-OE1 3.27Å; K53-E105 WeakPolarHBondContact CD-OE1 3.24Å; K53-E105 WeakPolarHBondContact CE-OE1 3.33Å; K53-E105 IonicContact NZ-OE1 2.88Å; K53-E105 PolarHBondContact NZ-OE1 2.9Å; Y55-E105 HydrophobicContact CE2-CG 3.67Å; Y55-E105 VanDerWaalsContact CE2-OE1 3.25Å; Y55-E105 WeakPolarHBondContact CE2-OE1 3.47Å; Y55-E105 PolarHBondContact OH-OE1 2.93Å; L101-E105 PolarHBondContact O-N 3.25Å; E105-L151 WeakPolarHBondContact O-CD2 3.34Å | ||
| 106 | T | 97.4 | Very high | 97.8 | Very high | 123 Ų | 123 | 39.8 Ų | 39.8 | 76% | 0.755 | 21% | 0.205 | S | C | * | . | S | Bend | trans | -94.5 | -14.7 | 173 | 54.9 | 0 | 0 | 0 | 0 | 112.6 | A154 | T106-A154 WeakPolarHBondContact O-CB 3.36Š|
| 107 | K | 98 | Very high | 97.5 | Very high | 55 Ų | 55 | 36.2 Ų | 36.2 | 24% | 0.239 | 19% | 0.186 | C | C | . | . | trans | -151.3 | 161 | 178.1 | 67.5 | 175.9 | -178.9 | -176.9 | 0 | 112.8 | L151 A154 E156 | K107-L151 CarbonylContact C-O 3.54Å; K107-L151 VanDerWaalsContact CA-O 3.27Å; K107-L151 WeakPolarHBondContact CA-O 3.35Å; K107-A154 HydrophobicContact CB-CB 4.23Å; K107-E156 IonicContact NZ-OE2 3.15Å | ||
| 108 | L | 98.5 | Very high | 97 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | trans | -130.5 | 133.1 | 169.9 | -68 | 178 | 0 | 0 | 0 | 110.6 | V29 V31 L148 L151 L152 A159 | V29-L108 HydrophobicContact CB-CD2 4.15Å; V29-L108 HydrophobicContact CG1-CD2 3.58Å; V31-L108 HydrophobicContact CG2-CD1 3.89Å; V31-L108 HydrophobicContact CG2-CD2 4.02Å; L108-L148 HydrophobicContact CD1-CB 4.46Å; L108-L148 HydrophobicContact CD1-CD1 4.2Å; L108-L148 HydrophobicContact CD1-CD2 4.06Å; L108-L148 HydrophobicContact CD1-CG 4.49Å; L108-L151 HydrophobicContact CB-CB 4.35Å; L108-L151 HydrophobicContact CD1-CB 4.04Å; L108-L151 HydrophobicContact CD1-CD1 4.09Å; L108-L151 HydrophobicContact CG-CB 3.9Å; L108-L151 HydrophobicContact CG-CD1 4.22Å; L108-L151 PolarHBondContact N-O 2.92Å; L108-L152 HydrophobicContact CB-CD2 3.77Å; L108-L152 HydrophobicContact CB-CG 4.24Å; L108-A159 WeakPolarHBondContact O-CB 3.46Å | ||
| 109 | D | 98.6 | Very high | 96.4 | Very high | 12 Ų | 12 | 37.8 Ų | 37.8 | 6% | 0.064 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -86.8 | -19.4 | 175.8 | -64.9 | -106.6 | 0 | 0 | 0 | 112.5 | K28 V29 F30 A159 R160 | K28-D109 WeakPolarHBondContact CA-OD2 3.29Å; K28-D109 HydrophobicContact CB-CB 3.92Å; K28-D109 HydrophobicContact CD-CB 4.15Å; K28-D109 WeakPolarHBondContact CD-OD1 3.39Å; K28-D109 HydrophobicContact CG-CB 4.32Å; K28-D109 WeakPolarHBondContact CG-OD1 3.43Å; V29-D109 PolarHBondContact N-OD2 3.41Å; V29-D109 PolarHBondContact O-N 3.33Å; F30-D109 HydrophobicContact CE1-CB 4.42Å; F30-D109 HydrophobicContact CE2-CB 4.38Å; F30-D109 HydrophobicContact CZ-CB 4.16Å; D109-A159 VanDerWaalsContact O-CA 3.32Å; D109-A159 WeakPolarHBondContact O-CA 3.44Å; D109-R160 PolarHBondContact O-N 3.35Å |
| 110 | G | 98.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -172.4 | 155.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | V29 F30 V31 R160 | V29-G110 PolarHBondContact O-N 2.91Å; F30-G110 WeakPolarHBondContact CA-O 3.3Å; V31-G110 PolarHBondContact N-O 2.9Å; G110-R160 CarbonylContact C-O 3.5Å; G110-R160 WeakPolarHBondContact CA-O 3.35Å |
| 111 | L | 98.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 127.6 | 178.3 | 170.4 | 61.4 | 0 | 0 | 0 | 109.4 | V31 L144 C145 L148 L152 R160 I161 V162 | V31-L111 HydrophobicContact CB-CD1 3.79Å; V31-L111 HydrophobicContact CG1-CD1 3.61Å; L111-L144 HydrophobicContact CD1-CD2 4.02Å; L111-L144 HydrophobicContact CD1-CG 4.5Å; L111-C145 HydrophobicContact CD2-CB 4.44Å; L111-C145 VanDerWaalsContact CD2-SG 3.57Å; L111-L148 HydrophobicContact CD1-CD1 4.24Å; L111-L148 HydrophobicContact CD2-CD1 4.26Å; L111-L152 HydrophobicContact CB-CD1 4.43Å; L111-L152 HydrophobicContact CB-CD2 4.35Å; L111-L152 HydrophobicContact CD2-CD1 4.49Å; L111-R160 PolarHBondContact N-O 3.5Å; L111-I161 HydrophobicContact CD2-CG2 4.35Å; L111-I161 HydrophobicContact CG-CG2 4.49Å; L111-I161 CarbonylContact O-C 3.51Å; L111-I161 WeakPolarHBondContact O-CA 3.4Å; L111-V162 PolarHBondContact O-N 3.41Å |
| 112 | V | 98.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 103.9 | 175.6 | -164.6 | 0 | 0 | 0 | 0 | 109.8 | V31 V32 T33 I43 N114 V164 L269 | V31-V112 PolarHBondContact O-N 2.75Å; V32-V112 HydrophobicContact CB-CB 4.5Å; V32-V112 HydrophobicContact CG1-CB 4.28Å; V32-V112 HydrophobicContact CG2-CB 4.28Å; V32-V112 HydrophobicContact CG2-CG2 4.04Å; T33-V112 PolarHBondContact N-O 3.5Å; T33-V112 PolarHBondContact OG1-O 3.36Å; I43-V112 HydrophobicContact CD1-CG1 3.97Å; I43-V112 HydrophobicContact CG2-CG2 4.26Å; V112-N114 HydrophobicContact CG1-CB 3.85Å; V112-N114 PolarHBondContact O-N 3.42Å; V112-V164 HydrophobicContact CG1-CG2 4.19Å; V112-L269 HydrophobicContact CG2-CD1 3.37Å; V112-L269 HydrophobicContact CG2-CD2 3.9Å; V112-L269 HydrophobicContact CG2-CG 4.17Å |
| 113 | N | 98.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 76.4 | 169.4 | -66.7 | -64.1 | 0 | 0 | 0 | 109.2 | N141 C145 V162 F163 V164 | N113-N141 HydrophobicContact CB-CB 4.24Å; N113-C145 PolarHBondContact ND2-SG 3.27Å; N113-V162 PolarHBondContact N-O 3.41Å; N113-F163 HydrophobicContact CB-CD1 3.77Å; N113-F163 HydrophobicContact CB-CE1 4.13Å; N113-F163 HydrophobicContact CB-CG 4.35Å; N113-F163 WeakPolarHBondContact ND2-CE1 3.09Å; N113-V164 PolarHBondContact O-N 3.33Å |
| 114 | N | 97.9 | Very high | 95.1 | Very high | 22 Ų | 22 | 36.3 Ų | 36.3 | 12% | 0.118 | 18% | 0.184 | C | C | . | . | trans | -99.3 | -34 | -175.9 | 159.6 | 88.3 | 0 | 0 | 0 | 113.6 | T33 I39 G40 V112 V164 | T33-N114 WeakPolarHBondContact O-CB 3.35Å; T33-N114 PolarHBondContact O-ND2 3.16Å; T33-N114 PolarHBondContact OG1-N 3.43Å; I39-N114 WeakPolarHBondContact CG2-OD1 3.46Å; G40-N114 VanDerWaalsContact CA-ND2 3.3Å; G40-N114 WeakPolarHBondContact CA-ND2 3.27Å; G40-N114 PolarHBondContact N-ND2 2.92Å; G40-N114 PolarHBondContact N-OD1 3.32Å; V112-N114 HydrophobicContact CG1-CB 3.85Å; V112-N114 PolarHBondContact O-N 3.42Å; N114-V164 HydrophobicContact CB-CB 4.48Å; N114-V164 HydrophobicContact CB-CG2 3.84Å | ||
| 115 | A | 94.3 | Very high | 95.1 | Very high | 16 Ų | 16 | 34 Ų | 34 | 13% | 0.132 | 18% | 0.18 | C | C | . | . | trans | -58.5 | 146 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | T33 L88 | T33-A115 PolarHBondContact O-N 2.92Å; T33-A115 WeakPolarHBondContact OG1-CB 3.31Å; T33-A115 PolarHBondContact OG1-N 3.41Å; L88-A115 HydrophobicContact CD1-CB 3.44Å; L88-A115 VanDerWaalsContact CD1-CB 3.44Å | ||
| 116 | G | 92.5 | Very high | 95.1 | Very high | 21 Ų | 21 | 33.5 Ų | 33.5 | 22% | 0.216 | 18% | 0.179 | C | C | . | . | trans | -177.1 | 166 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | N137 | G116-N137 WeakPolarHBondContact CA-OD1 3.05Š| ||
| 117 | I | 92 | Very high | 95 | Very high | 18 Ų | 18 | 35.6 Ų | 35.6 | 9% | 0.092 | 19% | 0.185 | C | C | . | . | trans | -121.7 | 155.3 | 174 | 60.9 | 176.7 | 0 | 0 | 0 | 109.8 | Y120 T132 T133 V136 N137 Y192 | I117-Y120 HydrophobicContact CD1-CD2 3.81Å; I117-Y120 HydrophobicContact CD1-CE2 4.38Å; I117-Y120 HydrophobicContact CD1-CG 4.37Å; I117-T132 HydrophobicContact CD1-CG2 3.77Å; I117-T133 HydrophobicContact CG1-CG2 4.34Å; I117-V136 HydrophobicContact CD1-CB 4.07Å; I117-V136 HydrophobicContact CD1-CG1 4.22Å; I117-V136 HydrophobicContact CD1-CG2 4.18Å; I117-V136 HydrophobicContact CG1-CB 4.16Å; I117-V136 HydrophobicContact CG1-CG1 3.97Å; I117-V136 HydrophobicContact CG2-CG1 4.14Å; I117-N137 PolarHBondContact N-OD1 3.39Å; I117-N137 PolarHBondContact O-ND2 3.32Å; I117-N137 PolarHBondContact O-OD1 2.75Å; I117-Y192 VanDerWaalsContact O-CD2 3.31Å; I117-Y192 WeakPolarHBondContact O-CD2 3.12Å; I117-Y192 WeakPolarHBondContact O-CE2 3.38Å | ||
| 118 | M | 87 | Confident | 95 | Very high | 21 Ų | 21 | 35.5 Ų | 35.5 | 10% | 0.103 | 19% | 0.187 | C | C | . | . | trans | -137.1 | 138.1 | -177 | -178.1 | -179.3 | 76.5 | 0 | 0 | 109.6 | Y120 Y192 I231 T232 | M118-Y120 VanDerWaalsContact C-N 3.34Å; M118-Y120 PolarHBondContact O-N 3.48Å; M118-Y192 HydrophobicContact CB-CD2 4Å; M118-Y192 HydrophobicContact CB-CE2 3.68Å; M118-Y192 HydrophobicContact CG-CD1 3.98Å; M118-Y192 HydrophobicContact CG-CD2 3.99Å; M118-Y192 HydrophobicContact CG-CE1 3.82Å; M118-Y192 HydrophobicContact CG-CE2 3.83Å; M118-Y192 HydrophobicContact CG-CG 4.06Å; M118-Y192 HydrophobicContact SD-CE1 4.01Å; M118-I231 HydrophobicContact CB-CD1 4.18Å; M118-I231 HydrophobicContact CB-CG1 3.62Å; M118-I231 HydrophobicContact CE-CG2 4.18Å; M118-I231 HydrophobicContact SD-CG1 4.47Å; M118-T232 HydrophobicContact CE-CG2 3.94Å | ||
| 119 | F | 86.1 | Confident | 95 | Very high | 17 Ų | 17 | 37.2 Ų | 37.2 | 8% | 0.075 | 21% | 0.205 | C | C | . | . | S | Bend | trans | 51.6 | 48.7 | 176.2 | -52 | -33 | 0 | 0 | 0 | 113.4 | W171 R188 F189 Y192 Y234 A235 | F119-W171 HydrophobicContact CE1-CH2 4.47Å; F119-W171 AromaticContact CE1-CZ3 3.78Å; F119-W171 HydrophobicContact CE1-CZ3 3.78Å; F119-W171 AromaticContact CZ-CH2 3.94Å; F119-W171 HydrophobicContact CZ-CH2 3.94Å; F119-W171 AromaticContact CZ-CZ3 3.71Å; F119-W171 HydrophobicContact CZ-CZ3 3.71Å; F119-R188 HydrophobicContact CB-CG 4.41Å; F119-R188 HydrophobicContact CD1-CG 4.45Å; F119-F189 AromaticContact CD1-CD1 3.65Å; F119-F189 HydrophobicContact CD1-CD1 3.65Å; F119-F189 AromaticContact CD1-CE1 3.91Å; F119-F189 HydrophobicContact CD1-CE1 3.91Å; F119-F189 HydrophobicContact CD1-CG 4.19Å; F119-F189 HydrophobicContact CD2-CE1 4.1Å; F119-F189 HydrophobicContact CE1-CB 4.3Å; F119-F189 AromaticContact CE1-CD1 3.16Å; F119-F189 HydrophobicContact CE1-CD1 3.16Å; F119-F189 AromaticContact CE1-CE1 3.65Å; F119-F189 HydrophobicContact CE1-CE1 3.65Å; F119-F189 AromaticContact CE1-CG 3.96Å; F119-F189 HydrophobicContact CE1-CG 3.96Å; F119-F189 HydrophobicContact CE2-CD1 4.17Å; F119-F189 AromaticContact CE2-CE1 3.82Å; F119-F189 HydrophobicContact CE2-CE1 3.82Å; F119-F189 HydrophobicContact CG-CD1 4.36Å; F119-F189 HydrophobicContact CG-CE1 4.16Å; F119-F189 AromaticContact CZ-CD1 3.46Å; F119-F189 HydrophobicContact CZ-CD1 3.46Å; F119-F189 VanDerWaalsContact CZ-CD1 3.46Å; F119-F189 AromaticContact CZ-CE1 3.6Å; F119-F189 HydrophobicContact CZ-CE1 3.6Å; F119-Y192 HydrophobicContact CE1-CD1 4.04Å; F119-Y192 HydrophobicContact CE1-CG 4.35Å; F119-Y234 WeakPolarHBondContact O-CB 3.49Å; F119-A235 HydrophobicContact CD2-CB 4.06Å |
| 120 | Y | 87.3 | Confident | 94.9 | Very high | 40 Ų | 40 | 37.7 Ų | 37.7 | 16% | 0.157 | 21% | 0.207 | C | C | . | . | trans | -51.4 | 134.6 | 178.1 | -157.9 | -104.6 | 0 | 0 | 0 | 110 | I117 M118 K122 Q124 T132 T133 W186 Y234 | I117-Y120 HydrophobicContact CD1-CD2 3.81Å; I117-Y120 HydrophobicContact CD1-CE2 4.38Å; I117-Y120 HydrophobicContact CD1-CG 4.37Å; M118-Y120 VanDerWaalsContact C-N 3.34Å; M118-Y120 PolarHBondContact O-N 3.48Å; Y120-K122 VanDerWaalsContact C-N 3.26Å; Y120-K122 VanDerWaalsContact CD1-O 3.31Å; Y120-K122 WeakPolarHBondContact CD1-O 3.45Å; Y120-K122 HydrophobicContact CE1-CG 4.43Å; Y120-K122 PolarHBondContact O-N 2.83Å; Y120-Q124 HydrophobicContact CE1-CB 4.04Å; Y120-Q124 PolarHBondContact OH-OE1 2.93Å; Y120-T132 HydrophobicContact CD1-CG2 4.33Å; Y120-T132 HydrophobicContact CD2-CG2 4.3Å; Y120-T132 HydrophobicContact CE1-CG2 4.14Å; Y120-T132 HydrophobicContact CE2-CG2 4.07Å; Y120-T132 HydrophobicContact CG-CG2 4.42Å; Y120-T133 WeakPolarHBondContact CB-OG1 3.29Å; Y120-W186 WeakPolarHBondContact O-CZ2 3.16Å; Y120-Y234 HydrophobicContact CD2-CD2 4.27Å; Y120-Y234 AromaticContact CD2-CE2 3.98Å; Y120-Y234 HydrophobicContact CD2-CE2 3.98Å; Y120-Y234 HydrophobicContact CE2-CE2 4.18Å | ||
| 121 | P | 88.5 | Confident | 94.9 | Very high | 58 Ų | 58 | 37.7 Ų | 37.7 | 38% | 0.377 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -73.6 | -15.9 | -157.6 | 26 | -35 | 0 | 0 | 0 | 114.6 | R188 Y234 | P121-R188 PolarHBondContact O-NH2 2.94Å; P121-Y234 HydrophobicContact CG-CD1 4.03Å; P121-Y234 HydrophobicContact CG-CE1 4.36Å |
| 122 | K | 93.4 | Very high | 94.9 | Very high | 123 Ų | 123 | 38.1 Ų | 38.1 | 54% | 0.535 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -148.4 | 154.9 | -177.5 | 61.7 | -178.7 | -177.3 | 176.1 | 0 | 110.1 | Y120 Q124 | Y120-K122 VanDerWaalsContact C-N 3.26Å; Y120-K122 VanDerWaalsContact CD1-O 3.31Å; Y120-K122 WeakPolarHBondContact CD1-O 3.45Å; Y120-K122 HydrophobicContact CE1-CG 4.43Å; Y120-K122 PolarHBondContact O-N 2.83Å; K122-Q124 PolarHBondContact O-N 2.88Å |
| 123 | F | 96.8 | Very high | 94.7 | Very high | 21 Ų | 21 | 38.1 Ų | 38.1 | 9% | 0.092 | 21% | 0.21 | C | C | . | . | trans | -61.7 | 127.9 | 164.6 | 175.5 | -90.4 | 0 | 0 | 0 | 109.5 | L125 E131 D181 R183 W186 | F123-L125 HydrophobicContact CE1-CD2 4.24Å; F123-L125 HydrophobicContact CE1-CG 4.12Å; F123-L125 HydrophobicContact CE2-CD2 4.22Å; F123-L125 HydrophobicContact CZ-CD2 3.6Å; F123-L125 HydrophobicContact CZ-CG 3.96Å; F123-E131 HydrophobicContact CD2-CG 4.31Å; F123-E131 HydrophobicContact CE2-CG 4.26Å; F123-D181 VanDerWaalsContact CZ-O 3.25Å; F123-D181 WeakPolarHBondContact CZ-O 3.25Å; F123-R183 HydrophobicContact CB-CG 4.5Å; F123-R183 HydrophobicContact CD1-CB 3.84Å; F123-R183 HydrophobicContact CD1-CG 4.01Å; F123-R183 HydrophobicContact CD2-CB 4.36Å; F123-R183 HydrophobicContact CE1-CB 3.78Å; F123-R183 HydrophobicContact CE1-CG 4.43Å; F123-R183 HydrophobicContact CE2-CB 4.31Å; F123-R183 HydrophobicContact CG-CB 4.12Å; F123-R183 HydrophobicContact CG-CG 4.18Å; F123-R183 HydrophobicContact CZ-CB 4.01Å; F123-W186 HydrophobicContact CB-CB 4.32Å; F123-W186 HydrophobicContact CB-CD2 3.76Å; F123-W186 HydrophobicContact CB-CE3 4.01Å; F123-W186 HydrophobicContact CB-CG 3.92Å; F123-W186 HydrophobicContact CD2-CB 3.62Å; F123-W186 AromaticContact CD2-CD1 3.59Å; F123-W186 HydrophobicContact CD2-CD2 4.31Å; F123-W186 AromaticContact CD2-CG 3.58Å; F123-W186 HydrophobicContact CD2-CG 3.58Å; F123-W186 HydrophobicContact CE2-CB 4.41Å; F123-W186 HydrophobicContact CG-CB 4.35Å; F123-W186 HydrophobicContact CG-CG 4.23Å | ||
| 124 | Q | 97 | Very high | 94.7 | Very high | 69 Ų | 69 | 38.1 Ų | 38.1 | 32% | 0.322 | 21% | 0.21 | S | C | . | . | trans | -153.3 | 136 | 177.8 | 176 | 167.7 | -5.1 | 0 | 0 | 109.2 | Y120 K122 T132 | Y120-Q124 HydrophobicContact CE1-CB 4.04Å; Y120-Q124 PolarHBondContact OH-OE1 2.93Å; K122-Q124 PolarHBondContact O-N 2.88Å; Q124-T132 PolarHBondContact O-N 3.33Å; Q124-T132 PolarHBondContact O-OG1 3.44Å | ||
| 125 | L | 98 | Very high | 94.7 | Very high | 72 Ų | 72 | 37.1 Ų | 37.1 | 38% | 0.377 | 20% | 0.204 | S | C | . | . | B | Isolated β-bridge | trans | -88.9 | 145.9 | 167.1 | -57.4 | -179.3 | 0 | 0 | 0 | 109.6 | F123 H130 D181 | F123-L125 HydrophobicContact CE1-CD2 4.24Å; F123-L125 HydrophobicContact CE1-CG 4.12Å; F123-L125 HydrophobicContact CE2-CD2 4.22Å; F123-L125 HydrophobicContact CZ-CD2 3.6Å; F123-L125 HydrophobicContact CZ-CG 3.96Å; L125-H130 CarbonylContact C-O 3.5Å; L125-H130 VanDerWaalsContact CA-O 3.24Å; L125-H130 WeakPolarHBondContact CA-O 3.49Å; L125-D181 HydrophobicContact CD2-CB 4.27Å |
| 126 | T | 98.1 | Very high | 94.9 | Very high | 16 Ų | 16 | 37 Ų | 37 | 10% | 0.098 | 20% | 0.202 | C | C | . | . | trans | -72.5 | 177.7 | 167.2 | 63 | 0 | 0 | 0 | 0 | 110.6 | D128 G129 H130 Q135 | T126-D128 PolarHBondContact O-N 2.9Å; T126-D128 PolarHBondContact OG1-N 2.69Å; T126-G129 PolarHBondContact O-N 3.45Å; T126-G129 VanDerWaalsContact O-N 3.09Å; T126-G129 PolarHBondContact OG1-N 3.5Å; T126-H130 PolarHBondContact N-O 2.86Å; T126-H130 PolarHBondContact OG1-N 2.55Å; T126-H130 PolarHBondContact OG1-O 3.11Å; T126-Q135 HydrophobicContact CG2-CB 4.24Å; T126-Q135 PolarHBondContact OG1-OE1 2.91Å | ||
| 127 | N | 96.5 | Very high | 95.1 | Very high | 166 Ų | 166 | 36 Ų | 36 | 89% | 0.888 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -21.9 | 173 | -66.9 | -8.6 | 0 | 0 | 0 | 112.5 | G129 | N127-G129 PolarHBondContact O-N 3.01Š|
| 128 | D | 97.8 | Very high | 95.5 | Very high | 53 Ų | 53 | 35.1 Ų | 35.1 | 28% | 0.283 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | 1.9 | 175 | -53.8 | -55.6 | 0 | 0 | 0 | 112.6 | S90 F91 T126 H130 Q135 | S90-D128 WeakPolarHBondContact CA-OD2 3.22Å; F91-D128 HydrophobicContact CD2-CB 3.66Å; F91-D128 HydrophobicContact CE2-CB 3.82Å; F91-D128 HydrophobicContact CG-CB 4.48Å; F91-D128 PolarHBondContact N-OD2 3.11Å; T126-D128 PolarHBondContact O-N 2.9Å; T126-D128 PolarHBondContact OG1-N 2.69Å; D128-H130 PolarHBondContact O-CD2 3.39Å; D128-Q135 PolarHBondContact OD2-NE2 3.45Å |
| 129 | G | 97.3 | Very high | 96 | Very high | 37 Ų | 37 | 34.1 Ų | 34.1 | 38% | 0.381 | 18% | 0.182 | S | C | . | . | S | Bend | trans | 86.4 | 9.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | T126 N127 | T126-G129 PolarHBondContact O-N 3.45Å; T126-G129 VanDerWaalsContact O-N 3.09Å; T126-G129 PolarHBondContact OG1-N 3.5Å; N127-G129 PolarHBondContact O-N 3.01Å |
| 130 | H | 98.2 | Very high | 96.6 | Very high | 21 Ų | 21 | 33.3 Ų | 33.3 | 10% | 0.097 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -109 | 153 | -177.2 | -64.8 | -65 | 0 | 0 | 0 | 113.4 | F91 L125 T126 D128 T132 Q135 L139 D181 A310 | F91-H130 AromaticContact CE2-CD2 3.79Å; F91-H130 AromaticContact CE2-NE2 3.95Å; F91-H130 AromaticContact CZ-CD2 4Å; L125-H130 CarbonylContact C-O 3.5Å; L125-H130 VanDerWaalsContact CA-O 3.24Å; L125-H130 WeakPolarHBondContact CA-O 3.49Å; T126-H130 PolarHBondContact N-O 2.86Å; T126-H130 PolarHBondContact OG1-N 2.55Å; T126-H130 PolarHBondContact OG1-O 3.11Å; D128-H130 PolarHBondContact O-CD2 3.39Å; H130-T132 PolarHBondContact O-N 3.31Å; H130-Q135 HydrophobicContact CB-CB 3.92Å; H130-L139 HydrophobicContact CB-CD1 3.95Å; H130-L139 VanDerWaalsContact CG-CD1 3.47Å; H130-D181 WeakPolarHBondContact CA-OD1 3.41Å; H130-D181 IonicContact CE1-OD2 3.88Å; H130-D181 IonicContact ND1-OD1 3.9Å; H130-D181 IonicContact ND1-OD2 2.99Å; H130-D181 PolarHBondContact ND1-OD2 3.24Å; H130-A310 PolarHBondContact NE2-O 3.32Å |
| 131 | E | 98 | Very high | 97.2 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.171 | C | C | . | . | B | Isolated β-bridge | trans | -56.8 | 131.2 | 175.5 | -165.9 | -74.3 | 151.4 | 0 | 0 | 110.1 | F123 T133 W134 Q135 D181 W186 T191 | F123-E131 HydrophobicContact CD2-CG 4.31Å; F123-E131 HydrophobicContact CE2-CG 4.26Å; E131-T133 VanDerWaalsContact C-N 3.35Å; E131-T133 VanDerWaalsContact CD-N 3.33Å; E131-T133 PolarHBondContact O-N 3.03Å; E131-T133 PolarHBondContact OE1-N 3.24Å; E131-T133 PolarHBondContact OE1-OG1 2.93Å; E131-T133 VanDerWaalsContact OE2-CA 3.24Å; E131-T133 WeakPolarHBondContact OE2-CA 3.41Å; E131-T133 WeakPolarHBondContact OE2-CB 3.45Å; E131-T133 PolarHBondContact OE2-N 3.03Å; E131-W134 HydrophobicContact CB-CB 4.07Å; E131-W134 WeakPolarHBondContact O-CB 3.24Å; E131-W134 PolarHBondContact O-N 2.92Å; E131-W134 VanDerWaalsContact O-N 3.13Å; E131-W134 PolarHBondContact OE2-N 2.97Å; E131-Q135 PolarHBondContact O-N 3.12Å; E131-D181 PolarHBondContact N-OD1 3.27Å; E131-W186 PolarHBondContact OE1-NE1 3.37Å; E131-T191 HydrophobicContact CG-CG2 4.22Å; E131-T191 WeakPolarHBondContact OE2-CG2 3.43Å |
| 132 | T | 97.8 | Very high | 97.6 | Very high | 10 Ų | 10 | 28.7 Ų | 28.7 | 6% | 0.061 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -58.1 | -42 | -166.4 | -58 | 0 | 0 | 0 | 0 | 113.3 | I117 Y120 Q124 H130 V136 | I117-T132 HydrophobicContact CD1-CG2 3.77Å; Y120-T132 HydrophobicContact CD1-CG2 4.33Å; Y120-T132 HydrophobicContact CD2-CG2 4.3Å; Y120-T132 HydrophobicContact CE1-CG2 4.14Å; Y120-T132 HydrophobicContact CE2-CG2 4.07Å; Y120-T132 HydrophobicContact CG-CG2 4.42Å; Q124-T132 PolarHBondContact O-N 3.33Å; Q124-T132 PolarHBondContact O-OG1 3.44Å; H130-T132 PolarHBondContact O-N 3.31Å; T132-V136 HydrophobicContact CG2-CG2 4.45Å; T132-V136 VanDerWaalsContact O-CB 3.24Å; T132-V136 WeakPolarHBondContact O-CB 3.34Å; T132-V136 WeakPolarHBondContact O-CG2 3.28Å; T132-V136 PolarHBondContact O-N 3.09Å; T132-V136 VanDerWaalsContact O-N 3.12Å |
| 133 | T | 96.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -71.2 | -43.4 | 178.5 | -51.5 | 0 | 0 | 0 | 0 | 111.1 | I117 Y120 E131 N137 Y192 | I117-T133 HydrophobicContact CG1-CG2 4.34Å; Y120-T133 WeakPolarHBondContact CB-OG1 3.29Å; E131-T133 VanDerWaalsContact C-N 3.35Å; E131-T133 VanDerWaalsContact CD-N 3.33Å; E131-T133 PolarHBondContact O-N 3.03Å; E131-T133 PolarHBondContact OE1-N 3.24Å; E131-T133 PolarHBondContact OE1-OG1 2.93Å; E131-T133 VanDerWaalsContact OE2-CA 3.24Å; E131-T133 WeakPolarHBondContact OE2-CA 3.41Å; E131-T133 WeakPolarHBondContact OE2-CB 3.45Å; E131-T133 PolarHBondContact OE2-N 3.03Å; T133-N137 WeakPolarHBondContact CG2-ND2 3.34Å; T133-N137 WeakPolarHBondContact O-CB 3.47Å; T133-N137 PolarHBondContact O-N 3.17Å; T133-Y192 HydrophobicContact CG2-CD2 4.15Å |
| 134 | W | 98 | Very high | 98 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -58.8 | -51 | 177.9 | -178 | -118.5 | 0 | 0 | 0 | 111 | E131 Y138 L139 L175 I180 K194 A198 L303 Y306 | E131-W134 HydrophobicContact CB-CB 4.07Å; E131-W134 WeakPolarHBondContact O-CB 3.24Å; E131-W134 PolarHBondContact O-N 2.92Å; E131-W134 VanDerWaalsContact O-N 3.13Å; E131-W134 PolarHBondContact OE2-N 2.97Å; W134-Y138 HydrophobicContact CD2-CD1 4.05Å; W134-Y138 AromaticContact CE2-CD1 3.58Å; W134-Y138 HydrophobicContact CE3-CD1 4.22Å; W134-Y138 AromaticContact CH2-CD1 3.46Å; W134-Y138 HydrophobicContact CH2-CD1 3.46Å; W134-Y138 VanDerWaalsContact CH2-CD1 3.46Å; W134-Y138 AromaticContact CH2-CE1 3.77Å; W134-Y138 HydrophobicContact CH2-CE1 3.77Å; W134-Y138 HydrophobicContact CH2-CG 4.16Å; W134-Y138 AromaticContact CZ2-CD1 3.27Å; W134-Y138 HydrophobicContact CZ2-CD1 3.27Å; W134-Y138 AromaticContact CZ2-CE1 3.51Å; W134-Y138 HydrophobicContact CZ2-CE1 3.51Å; W134-Y138 HydrophobicContact CZ2-CG 4.34Å; W134-Y138 AromaticContact CZ3-CD1 3.95Å; W134-Y138 HydrophobicContact CZ3-CD1 3.95Å; W134-Y138 HydrophobicContact CZ3-CG 4.27Å; W134-Y138 WeakPolarHBondContact O-CA 3.18Å; W134-Y138 VanDerWaalsContact O-CB 3.23Å; W134-Y138 WeakPolarHBondContact O-CB 3.18Å; W134-Y138 PolarHBondContact O-N 3.45Å; W134-L139 PolarHBondContact O-N 3.4Å; W134-L175 HydrophobicContact CH2-CD1 3.81Å; W134-L175 HydrophobicContact CH2-CD2 4.28Å; W134-L175 HydrophobicContact CZ3-CD1 4.06Å; W134-I180 HydrophobicContact CB-CG1 4.12Å; W134-I180 HydrophobicContact CD2-CD1 4.23Å; W134-I180 HydrophobicContact CD2-CG1 3.54Å; W134-I180 HydrophobicContact CE3-CD1 4.1Å; W134-I180 HydrophobicContact CE3-CG1 3.94Å; W134-I180 HydrophobicContact CG-CG1 3.61Å; W134-I180 HydrophobicContact CG-CG2 4.34Å; W134-I180 HydrophobicContact CZ2-CG1 4.43Å; W134-K194 HydrophobicContact CZ3-CB 4.24Å; W134-A198 HydrophobicContact CH2-CB 3.41Å; W134-A198 VanDerWaalsContact CH2-CB 3.41Å; W134-A198 HydrophobicContact CZ3-CB 3.49Å; W134-A198 VanDerWaalsContact CZ3-CB 3.49Å; W134-L303 HydrophobicContact CH2-CD1 3.92Å; W134-L303 HydrophobicContact CZ2-CD1 3.91Å; W134-Y306 AromaticContact CZ2-CE1 3.95Å; W134-Y306 HydrophobicContact CZ2-CE1 3.95Å; W134-Y306 AromaticContact NE1-CE1 3.6Å; W134-Y306 AromaticContact NE1-CZ 3.86Å; W134-Y306 PolarHBondContact NE1-OH 2.74Å |
| 135 | Q | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 11% | 0.108 | C | C | . | . | I | π-helix | trans | -65.5 | -54.5 | 179 | -176.1 | 178.8 | -11.6 | 0 | 0 | 112.2 | F91 T126 D128 H130 E131 N137 Y138 L139 S140 | F91-Q135 HydrophobicContact CE1-CG 4.17Å; F91-Q135 HydrophobicContact CZ-CG 4.23Å; T126-Q135 HydrophobicContact CG2-CB 4.24Å; T126-Q135 PolarHBondContact OG1-OE1 2.91Å; D128-Q135 PolarHBondContact OD2-NE2 3.45Å; H130-Q135 HydrophobicContact CB-CB 3.92Å; E131-Q135 PolarHBondContact O-N 3.12Å; Q135-N137 VanDerWaalsContact C-N 3.27Å; Q135-N137 PolarHBondContact O-N 3.45Å; Q135-Y138 PolarHBondContact O-N 2.98Å; Q135-L139 HydrophobicContact CB-CD1 4.47Å; Q135-L139 HydrophobicContact CG-CB 4.23Å; Q135-L139 PolarHBondContact O-N 2.92Å; Q135-S140 WeakPolarHBondContact CG-OG 3.46Å; Q135-S140 WeakPolarHBondContact O-CB 3.37Å; Q135-S140 PolarHBondContact O-N 3.39Å; Q135-S140 PolarHBondContact O-OG 3Å |
| 136 | V | 97.9 | Very high | 98 | Very high | 13 Ų | 13 | 16.4 Ų | 16.4 | 8% | 0.079 | 10% | 0.096 | C | C | . | . | I | π-helix | trans | -59.1 | -39.9 | -174.3 | 168.8 | 0 | 0 | 0 | 0 | 111.8 | L88 I117 T132 | L88-V136 HydrophobicContact CB-CG1 4.19Å; L88-V136 WeakPolarHBondContact O-CA 3.11Å; I117-V136 HydrophobicContact CD1-CB 4.07Å; I117-V136 HydrophobicContact CD1-CG1 4.22Å; I117-V136 HydrophobicContact CD1-CG2 4.18Å; I117-V136 HydrophobicContact CG1-CB 4.16Å; I117-V136 HydrophobicContact CG1-CG1 3.97Å; I117-V136 HydrophobicContact CG2-CG1 4.14Å; T132-V136 HydrophobicContact CG2-CG2 4.45Å; T132-V136 VanDerWaalsContact O-CB 3.24Å; T132-V136 WeakPolarHBondContact O-CB 3.34Å; T132-V136 WeakPolarHBondContact O-CG2 3.28Å; T132-V136 PolarHBondContact O-N 3.09Å; T132-V136 VanDerWaalsContact O-N 3.12Å |
| 137 | N | 97.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 10% | 0.101 | C | C | . | . | I | π-helix | trans | -89.8 | -24.7 | -176.7 | -66 | -2.4 | 0 | 0 | 0 | 113.4 | G116 I117 T133 Q135 N141 S195 Q199 | G116-N137 WeakPolarHBondContact CA-OD1 3.05Å; I117-N137 PolarHBondContact N-OD1 3.39Å; I117-N137 PolarHBondContact O-ND2 3.32Å; I117-N137 PolarHBondContact O-OD1 2.75Å; T133-N137 WeakPolarHBondContact CG2-ND2 3.34Å; T133-N137 WeakPolarHBondContact O-CB 3.47Å; T133-N137 PolarHBondContact O-N 3.17Å; Q135-N137 VanDerWaalsContact C-N 3.27Å; Q135-N137 PolarHBondContact O-N 3.45Å; N137-N141 PolarHBondContact O-OD1 3.45Å; N137-S195 PolarHBondContact ND2-OG 2.98Å; N137-S195 VanDerWaalsContact ND2-OG 3.09Å; N137-Q199 WeakPolarHBondContact O-CG 3.48Å; N137-Q199 PolarHBondContact O-NE2 2.93Å |
| 138 | Y | 98.6 | Very high | 98.2 | Very high | 1 Ų | 1 | 10 Ų | 10 | 0% | 0.004 | 6% | 0.059 | C | C | . | . | I | π-helix | trans | -126.4 | -69 | -170.2 | 176 | -112.7 | 0 | 0 | 0 | 113.6 | W134 Q135 S140 N141 V142 A198 Q199 Y202 L303 S307 | W134-Y138 HydrophobicContact CD2-CD1 4.05Å; W134-Y138 AromaticContact CE2-CD1 3.58Å; W134-Y138 HydrophobicContact CE3-CD1 4.22Å; W134-Y138 AromaticContact CH2-CD1 3.46Å; W134-Y138 HydrophobicContact CH2-CD1 3.46Å; W134-Y138 VanDerWaalsContact CH2-CD1 3.46Å; W134-Y138 AromaticContact CH2-CE1 3.77Å; W134-Y138 HydrophobicContact CH2-CE1 3.77Å; W134-Y138 HydrophobicContact CH2-CG 4.16Å; W134-Y138 AromaticContact CZ2-CD1 3.27Å; W134-Y138 HydrophobicContact CZ2-CD1 3.27Å; W134-Y138 AromaticContact CZ2-CE1 3.51Å; W134-Y138 HydrophobicContact CZ2-CE1 3.51Å; W134-Y138 HydrophobicContact CZ2-CG 4.34Å; W134-Y138 AromaticContact CZ3-CD1 3.95Å; W134-Y138 HydrophobicContact CZ3-CD1 3.95Å; W134-Y138 HydrophobicContact CZ3-CG 4.27Å; W134-Y138 WeakPolarHBondContact O-CA 3.18Å; W134-Y138 VanDerWaalsContact O-CB 3.23Å; W134-Y138 WeakPolarHBondContact O-CB 3.18Å; W134-Y138 PolarHBondContact O-N 3.45Å; Q135-Y138 PolarHBondContact O-N 2.98Å; Y138-S140 VanDerWaalsContact C-N 3.27Å; Y138-S140 PolarHBondContact O-N 3.36Å; Y138-N141 WeakPolarHBondContact O-CA 3.49Å; Y138-N141 VanDerWaalsContact O-CB 3.31Å; Y138-N141 WeakPolarHBondContact O-CB 3.32Å; Y138-N141 PolarHBondContact O-N 2.9Å; Y138-V142 HydrophobicContact CD2-CG2 4.27Å; Y138-V142 HydrophobicContact CE1-CG2 4.28Å; Y138-V142 HydrophobicContact CE2-CG2 3.65Å; Y138-V142 PolarHBondContact O-N 3.08Å; Y138-V142 VanDerWaalsContact O-N 3.08Å; Y138-A198 HydrophobicContact CD1-CB 3.95Å; Y138-A198 HydrophobicContact CD2-CB 3.5Å; Y138-A198 VanDerWaalsContact CD2-CB 3.5Å; Y138-A198 HydrophobicContact CE1-CB 4.06Å; Y138-A198 VanDerWaalsContact CE2-C 3.45Å; Y138-A198 HydrophobicContact CE2-CB 3.66Å; Y138-A198 VanDerWaalsContact CE2-O 3.26Å; Y138-A198 WeakPolarHBondContact CE2-O 3.43Å; Y138-A198 HydrophobicContact CG-CB 3.64Å; Y138-Q199 HydrophobicContact CD2-CG 4.38Å; Y138-Y202 HydrophobicContact CE2-CG 4.3Å; Y138-L303 HydrophobicContact CE1-CD1 3.76Å; Y138-L303 HydrophobicContact CE1-CD2 4.46Å; Y138-L303 HydrophobicContact CE1-CG 4.27Å; Y138-L303 HydrophobicContact CE2-CD2 4.49Å; Y138-L303 WeakPolarHBondContact OH-CD2 3.24Å; Y138-L303 VanDerWaalsContact OH-CG 3.22Å; Y138-L303 WeakPolarHBondContact OH-CG 3.3Å; Y138-S307 VanDerWaalsContact CE1-OG 3.28Å; Y138-S307 WeakPolarHBondContact CE1-OG 3.25Å; Y138-S307 PolarHBondContact OH-OG 2.93Å |
| 139 | L | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 8.5 Ų | 8.5 | 0% | 0 | 5% | 0.051 | C | C | . | . | I | π-helix | trans | -57.3 | -42.4 | -173.4 | -66.2 | 174.6 | 0 | 0 | 0 | 111.9 | F91 H130 W134 Q135 N141 V142 A143 Y306 A310 C311 | F91-L139 HydrophobicContact CE1-CB 4.13Å; F91-L139 HydrophobicContact CZ-CB 3.97Å; F91-L139 HydrophobicContact CZ-CD1 4.38Å; H130-L139 HydrophobicContact CB-CD1 3.95Å; H130-L139 VanDerWaalsContact CG-CD1 3.47Å; W134-L139 PolarHBondContact O-N 3.4Å; Q135-L139 HydrophobicContact CB-CD1 4.47Å; Q135-L139 HydrophobicContact CG-CB 4.23Å; Q135-L139 PolarHBondContact O-N 2.92Å; L139-N141 PolarHBondContact O-N 3.27Å; L139-V142 WeakPolarHBondContact O-CA 3.44Å; L139-V142 WeakPolarHBondContact O-CB 2.92Å; L139-V142 PolarHBondContact O-N 3.15Å; L139-A143 PolarHBondContact O-N 2.9Å; L139-Y306 HydrophobicContact CD2-CE1 3.95Å; L139-A310 HydrophobicContact CD1-CB 4.2Å; L139-A310 HydrophobicContact CD2-CB 3.9Å; L139-C311 PolarHBondContact O-SG 3.32Å |
| 140 | S | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 10.4 Ų | 10.4 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -66.9 | -23.5 | 177.5 | -62.9 | 0 | 0 | 0 | 0 | 113.2 | L88 I94 Q135 Y138 L144 | L88-S140 WeakPolarHBondContact O-CB 3.46Å; L88-S140 PolarHBondContact O-OG 3.42Å; I94-S140 VanDerWaalsContact CD1-CB 3.5Å; Q135-S140 WeakPolarHBondContact CG-OG 3.46Å; Q135-S140 WeakPolarHBondContact O-CB 3.37Å; Q135-S140 PolarHBondContact O-N 3.39Å; Q135-S140 PolarHBondContact O-OG 3Å; Y138-S140 VanDerWaalsContact C-N 3.27Å; Y138-S140 PolarHBondContact O-N 3.36Å; S140-L144 WeakPolarHBondContact O-CB 3.39Å; S140-L144 PolarHBondContact O-N 2.8Å; S140-L144 VanDerWaalsContact O-N 3.1Å |
| 141 | N | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -74.6 | -38.2 | 171.1 | -61.4 | -175.8 | 0 | 0 | 0 | 110.8 | N113 N137 Y138 L139 C145 F163 Q199 | N113-N141 HydrophobicContact CB-CB 4.24Å; N137-N141 PolarHBondContact O-OD1 3.45Å; Y138-N141 WeakPolarHBondContact O-CA 3.49Å; Y138-N141 VanDerWaalsContact O-CB 3.31Å; Y138-N141 WeakPolarHBondContact O-CB 3.32Å; Y138-N141 PolarHBondContact O-N 2.9Å; L139-N141 PolarHBondContact O-N 3.27Å; N141-C145 WeakPolarHBondContact O-CB 3.19Å; N141-C145 PolarHBondContact O-N 3.08Å; N141-C145 PolarHBondContact O-SG 3.14Å; N141-F163 HydrophobicContact CB-CD1 4.28Å; N141-F163 HydrophobicContact CB-CE1 3.88Å; N141-Q199 PolarHBondContact OD1-NE2 3.13Å |
| 142 | V | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -61 | -56 | 173.6 | 177.2 | 0 | 0 | 0 | 0 | 109.9 | Y138 L139 L144 C145 E146 Y202 L313 | Y138-V142 HydrophobicContact CD2-CG2 4.27Å; Y138-V142 HydrophobicContact CE1-CG2 4.28Å; Y138-V142 HydrophobicContact CE2-CG2 3.65Å; Y138-V142 PolarHBondContact O-N 3.08Å; Y138-V142 VanDerWaalsContact O-N 3.08Å; L139-V142 WeakPolarHBondContact O-CA 3.44Å; L139-V142 WeakPolarHBondContact O-CB 2.92Å; L139-V142 PolarHBondContact O-N 3.15Å; V142-L144 VanDerWaalsContact C-N 3.33Å; V142-L144 PolarHBondContact O-N 2.78Å; V142-C145 PolarHBondContact O-N 3.22Å; V142-C145 VanDerWaalsContact O-N 3.12Å; V142-E146 HydrophobicContact CG1-CG 4.11Å; V142-E146 WeakPolarHBondContact O-CB 3.37Å; V142-E146 VanDerWaalsContact O-CG 3.3Å; V142-E146 WeakPolarHBondContact O-CG 3.47Å; V142-E146 PolarHBondContact O-N 2.84Å; V142-Y202 HydrophobicContact CB-CE1 4.4Å; V142-Y202 HydrophobicContact CB-CE2 4.29Å; V142-Y202 HydrophobicContact CG1-CD2 4.37Å; V142-Y202 HydrophobicContact CG1-CE2 3.73Å; V142-Y202 HydrophobicContact CG2-CD1 3.95Å; V142-Y202 HydrophobicContact CG2-CD2 3.83Å; V142-Y202 HydrophobicContact CG2-CE1 4.03Å; V142-Y202 HydrophobicContact CG2-CE2 3.94Å; V142-Y202 HydrophobicContact CG2-CG 3.85Å; V142-L313 HydrophobicContact CG1-CD1 4.14Å |
| 143 | A | 98.6 | Very high | 98.2 | Very high | 1 Ų | 1 | 13.7 Ų | 13.7 | 1% | 0.008 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -53.7 | -47.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | F91 I94 L139 K147 C311 | F91-A143 HydrophobicContact CD1-CB 4.23Å; F91-A143 HydrophobicContact CE1-CB 4.31Å; I94-A143 HydrophobicContact CD1-CB 3.95Å; I94-A143 HydrophobicContact CG2-CB 4.44Å; L139-A143 PolarHBondContact O-N 2.9Å; A143-K147 WeakPolarHBondContact O-CB 3.33Å; A143-K147 VanDerWaalsContact O-CG 3.23Å; A143-K147 WeakPolarHBondContact O-CG 3.48Å; A143-K147 PolarHBondContact O-N 2.97Å; A143-K147 VanDerWaalsContact O-N 3.07Å; A143-C311 HydrophobicContact CB-CB 4.12Å |
| 144 | L | 98.4 | Very high | 98.3 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -64.1 | -42.8 | 178.9 | -175 | 66.1 | 0 | 0 | 0 | 112.2 | T33 L86 I94 F97 V98 L111 S140 V142 L148 | T33-L144 HydrophobicContact CG2-CD2 3.49Å; T33-L144 VanDerWaalsContact CG2-CD2 3.49Å; L86-L144 HydrophobicContact CD2-CD2 4.42Å; I94-L144 HydrophobicContact CG2-CB 4.17Å; I94-L144 HydrophobicContact CG2-CD1 4.03Å; F97-L144 HydrophobicContact CD1-CD1 3.77Å; F97-L144 HydrophobicContact CE1-CD1 3.93Å; V98-L144 HydrophobicContact CG2-CD1 3.89Å; L111-L144 HydrophobicContact CD1-CD2 4.02Å; L111-L144 HydrophobicContact CD1-CG 4.5Å; S140-L144 WeakPolarHBondContact O-CB 3.39Å; S140-L144 PolarHBondContact O-N 2.8Å; S140-L144 VanDerWaalsContact O-N 3.1Å; V142-L144 VanDerWaalsContact C-N 3.33Å; V142-L144 PolarHBondContact O-N 2.78Å; L144-L148 HydrophobicContact CD1-CD1 3.64Å; L144-L148 HydrophobicContact CD1-CG 4.17Å; L144-L148 HydrophobicContact CG-CD1 3.87Å; L144-L148 VanDerWaalsContact O-CB 3.27Å; L144-L148 WeakPolarHBondContact O-CB 3.42Å; L144-L148 VanDerWaalsContact O-CG 3.27Å; L144-L148 WeakPolarHBondContact O-CG 3.17Å; L144-L148 PolarHBondContact O-N 2.92Å; L144-L148 VanDerWaalsContact O-N 3.12Å |
| 145 | C | 98.3 | Very high | 98.1 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -63 | -53.8 | 178.1 | -71.5 | 0 | 0 | 0 | 0 | 111.2 | L111 N113 N141 V142 K147 L148 L149 F163 Y202 | L111-C145 HydrophobicContact CD2-CB 4.44Å; L111-C145 VanDerWaalsContact CD2-SG 3.57Å; N113-C145 PolarHBondContact ND2-SG 3.27Å; N141-C145 WeakPolarHBondContact O-CB 3.19Å; N141-C145 PolarHBondContact O-N 3.08Å; N141-C145 PolarHBondContact O-SG 3.14Å; V142-C145 PolarHBondContact O-N 3.22Å; V142-C145 VanDerWaalsContact O-N 3.12Å; C145-K147 VanDerWaalsContact C-N 3.3Å; C145-K147 PolarHBondContact O-N 2.83Å; C145-L148 CarbonylContact O-C 3.37Å; C145-L148 PolarHBondContact O-N 2.94Å; C145-L148 VanDerWaalsContact O-N 3.12Å; C145-L149 WeakPolarHBondContact O-CG 3.47Å; C145-L149 PolarHBondContact O-N 3.25Å; C145-F163 WeakPolarHBondContact SG-CZ 3.24Å; C145-Y202 HydrophobicContact CB-CE1 4.09Å |
| 146 | E | 98.2 | Very high | 97.5 | Very high | 27 Ų | 27 | 25.2 Ų | 25.2 | 13% | 0.126 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -57.9 | -43.2 | -176.6 | -68 | -87.3 | 148.5 | 0 | 0 | 111.2 | V142 L148 L149 Y202 Y304 K308 L313 | V142-E146 HydrophobicContact CG1-CG 4.11Å; V142-E146 WeakPolarHBondContact O-CB 3.37Å; V142-E146 VanDerWaalsContact O-CG 3.3Å; V142-E146 WeakPolarHBondContact O-CG 3.47Å; V142-E146 PolarHBondContact O-N 2.84Å; E146-L148 PolarHBondContact O-N 2.86Å; E146-L149 PolarHBondContact O-N 3.05Å; E146-Y202 WeakPolarHBondContact CG-OH 3.42Å; E146-Y202 PolarHBondContact OE1-OH 3.16Å; E146-Y304 WeakPolarHBondContact OE1-CE2 3.35Å; E146-Y304 PolarHBondContact OE1-OH 3.24Å; E146-K308 IonicContact OE2-NZ 2.64Å; E146-K308 PolarHBondContact OE2-NZ 2.99Å; E146-L313 HydrophobicContact CB-CD1 3.81Å; E146-L313 HydrophobicContact CB-CD2 4.3Å; E146-L313 HydrophobicContact CG-CD1 3.74Å |
| 147 | K | 98.4 | Very high | 97.2 | Very high | 46 Ų | 46 | 26.4 Ų | 26.4 | 20% | 0.2 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -74.4 | -23 | -179.4 | -65.9 | 173.6 | -175.3 | -83.1 | 0 | 113.8 | I94 D95 V98 K102 A143 C145 L313 | I94-K147 HydrophobicContact CG2-CD 4.31Å; D95-K147 WeakPolarHBondContact OD1-CD 3.45Å; D95-K147 WeakPolarHBondContact OD1-CE 3.46Å; D95-K147 IonicContact OD1-NZ 2.61Å; D95-K147 PolarHBondContact OD1-NZ 2.97Å; D95-K147 IonicContact OD2-NZ 2.55Å; V98-K147 HydrophobicContact CG1-CB 4.09Å; V98-K147 HydrophobicContact CG2-CB 3.96Å; K102-K147 WeakPolarHBondContact CE-O 3.49Å; K102-K147 PolarHBondContact NZ-O 2.84Å; A143-K147 WeakPolarHBondContact O-CB 3.33Å; A143-K147 VanDerWaalsContact O-CG 3.23Å; A143-K147 WeakPolarHBondContact O-CG 3.48Å; A143-K147 PolarHBondContact O-N 2.97Å; A143-K147 VanDerWaalsContact O-N 3.07Å; C145-K147 VanDerWaalsContact C-N 3.3Å; C145-K147 PolarHBondContact O-N 2.83Å; K147-L313 HydrophobicContact CD-CD2 4.46Å; K147-L313 HydrophobicContact CG-CD2 4.07Å |
| 148 | L | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -95.4 | -9.3 | 176 | -69.5 | 179.8 | 0 | 0 | 0 | 114.1 | V98 L101 L108 L111 L144 C145 E146 P150 L151 L152 | V98-L148 HydrophobicContact CB-CD2 4.38Å; V98-L148 HydrophobicContact CG1-CD2 4.01Å; V98-L148 HydrophobicContact CG2-CD2 3.95Å; V98-L148 HydrophobicContact CG2-CG 4.03Å; L101-L148 HydrophobicContact CB-CD2 4.46Å; L101-L148 HydrophobicContact CD1-CD1 4.17Å; L101-L148 HydrophobicContact CD1-CD2 3.78Å; L108-L148 HydrophobicContact CD1-CB 4.46Å; L108-L148 HydrophobicContact CD1-CD1 4.2Å; L108-L148 HydrophobicContact CD1-CD2 4.06Å; L108-L148 HydrophobicContact CD1-CG 4.49Å; L111-L148 HydrophobicContact CD1-CD1 4.24Å; L111-L148 HydrophobicContact CD2-CD1 4.26Å; L144-L148 HydrophobicContact CD1-CD1 3.64Å; L144-L148 HydrophobicContact CD1-CG 4.17Å; L144-L148 HydrophobicContact CG-CD1 3.87Å; L144-L148 VanDerWaalsContact O-CB 3.27Å; L144-L148 WeakPolarHBondContact O-CB 3.42Å; L144-L148 VanDerWaalsContact O-CG 3.27Å; L144-L148 WeakPolarHBondContact O-CG 3.17Å; L144-L148 PolarHBondContact O-N 2.92Å; L144-L148 VanDerWaalsContact O-N 3.12Å; C145-L148 CarbonylContact O-C 3.37Å; C145-L148 PolarHBondContact O-N 2.94Å; C145-L148 VanDerWaalsContact O-N 3.12Å; E146-L148 PolarHBondContact O-N 2.86Å; L148-P150 VanDerWaalsContact C-CD 3.48Å; L148-P150 VanDerWaalsContact C-N 3.31Å; L148-L151 HydrophobicContact CD2-CD1 4.1Å; L148-L151 PolarHBondContact O-N 3.02Å; L148-L152 HydrophobicContact CB-CD1 4.36Å; L148-L152 PolarHBondContact O-N 2.88Å; L148-L152 VanDerWaalsContact O-N 3.11Å |
| 149 | L | 98.1 | Very high | 97.2 | Very high | 23 Ų | 23 | 28.2 Ų | 28.2 | 12% | 0.12 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -49.5 | -45.9 | 178.1 | -85.9 | 176 | 0 | 0 | 0 | 112.8 | C145 E146 L151 L152 E153 I161 L206 L210 | C145-L149 WeakPolarHBondContact O-CG 3.47Å; C145-L149 PolarHBondContact O-N 3.25Å; E146-L149 PolarHBondContact O-N 3.05Å; L149-L151 VanDerWaalsContact C-N 3.27Å; L149-L151 PolarHBondContact O-N 2.81Å; L149-L152 PolarHBondContact O-N 3.26Å; L149-E153 WeakPolarHBondContact O-CB 3.47Å; L149-E153 WeakPolarHBondContact O-CG 3.34Å; L149-E153 PolarHBondContact O-N 2.9Å; L149-I161 HydrophobicContact CD2-CD1 4.27Å; L149-L206 HydrophobicContact CD1-CD1 4.16Å; L149-L206 HydrophobicContact CD2-CD1 4.48Å; L149-L210 HydrophobicContact CD2-CD2 3.87Å |
| 150 | P | 97.5 | Very high | 97.2 | Very high | 76 Ų | 76 | 29.2 Ų | 29.2 | 49% | 0.494 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -56.9 | -36.8 | 178.8 | -27.9 | 36.2 | 0 | 0 | 0 | 114.2 | L148 A154 | L148-P150 VanDerWaalsContact C-CD 3.48Å; L148-P150 VanDerWaalsContact C-N 3.31Å; P150-A154 WeakPolarHBondContact O-CB 3.49Å; P150-A154 PolarHBondContact O-N 2.8Å; P150-A154 VanDerWaalsContact O-N 3.14Å |
| 151 | L | 98.3 | Very high | 97.2 | Very high | 15 Ų | 15 | 29.2 Ų | 29.2 | 8% | 0.079 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -75 | -33.8 | 176.7 | -66.8 | 180 | 0 | 0 | 0 | 112.2 | L101 K102 E105 K107 L108 L148 L149 | L101-L151 HydrophobicContact CB-CD1 4.44Å; K102-L151 HydrophobicContact CG-CD1 3.86Å; K102-L151 HydrophobicContact CG-CD2 4.46Å; K102-L151 HydrophobicContact CG-CG 4.23Å; E105-L151 WeakPolarHBondContact O-CD2 3.34Å; K107-L151 CarbonylContact C-O 3.54Å; K107-L151 VanDerWaalsContact CA-O 3.27Å; K107-L151 WeakPolarHBondContact CA-O 3.35Å; L108-L151 HydrophobicContact CB-CB 4.35Å; L108-L151 HydrophobicContact CD1-CB 4.04Å; L108-L151 HydrophobicContact CD1-CD1 4.09Å; L108-L151 HydrophobicContact CG-CB 3.9Å; L108-L151 HydrophobicContact CG-CD1 4.22Å; L108-L151 PolarHBondContact N-O 2.92Å; L148-L151 HydrophobicContact CD2-CD1 4.1Å; L148-L151 PolarHBondContact O-N 3.02Å; L149-L151 VanDerWaalsContact C-N 3.27Å; L149-L151 PolarHBondContact O-N 2.81Å |
| 152 | L | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -69.6 | -39.4 | 176.8 | -68.8 | 161 | 0 | 0 | 0 | 110.9 | L108 L111 L148 L149 A154 C155 A159 I161 V217 | L108-L152 HydrophobicContact CB-CD2 3.77Å; L108-L152 HydrophobicContact CB-CG 4.24Å; L111-L152 HydrophobicContact CB-CD1 4.43Å; L111-L152 HydrophobicContact CB-CD2 4.35Å; L111-L152 HydrophobicContact CD2-CD1 4.49Å; L148-L152 HydrophobicContact CB-CD1 4.36Å; L148-L152 PolarHBondContact O-N 2.88Å; L148-L152 VanDerWaalsContact O-N 3.11Å; L149-L152 PolarHBondContact O-N 3.26Å; L152-A154 VanDerWaalsContact C-N 3.33Å; L152-C155 VanDerWaalsContact O-CB 3.24Å; L152-C155 WeakPolarHBondContact O-CB 3.43Å; L152-C155 PolarHBondContact O-N 3.1Å; L152-A159 HydrophobicContact CB-CB 4.12Å; L152-A159 HydrophobicContact CD2-CB 3.95Å; L152-A159 VanDerWaalsContact O-CB 3.24Å; L152-A159 WeakPolarHBondContact O-CB 3.35Å; L152-I161 HydrophobicContact CD1-CD1 3.8Å; L152-I161 HydrophobicContact CD1-CG1 3.83Å; L152-V217 HydrophobicContact CB-CG1 4.35Å; L152-V217 HydrophobicContact CB-CG2 4.03Å |
| 153 | E | 98 | Very high | 97.2 | Very high | 85 Ų | 85 | 29.4 Ų | 29.4 | 40% | 0.397 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -73 | -24.4 | 177.7 | -66.4 | -172.7 | 130.7 | 0 | 0 | 112.9 | L149 C155 S215 V217 | L149-E153 WeakPolarHBondContact O-CB 3.47Å; L149-E153 WeakPolarHBondContact O-CG 3.34Å; L149-E153 PolarHBondContact O-N 2.9Å; E153-C155 PolarHBondContact O-N 3.45Å; E153-S215 WeakPolarHBondContact CG-OG 3.33Å; E153-S215 WeakPolarHBondContact OE1-CB 3.43Å; E153-S215 PolarHBondContact OE1-OG 3.14Å; E153-V217 HydrophobicContact CB-CG2 4.44Å; E153-V217 HydrophobicContact CG-CG2 3.7Å |
| 154 | A | 97.6 | Very high | 97.2 | Very high | 51 Ų | 51 | 29.7 Ų | 29.7 | 42% | 0.421 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -3.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | T106 K107 P150 L152 E156 | T106-A154 WeakPolarHBondContact O-CB 3.36Å; K107-A154 HydrophobicContact CB-CB 4.23Å; P150-A154 WeakPolarHBondContact O-CB 3.49Å; P150-A154 PolarHBondContact O-N 2.8Å; P150-A154 VanDerWaalsContact O-N 3.14Å; L152-A154 VanDerWaalsContact C-N 3.33Å; A154-E156 PolarHBondContact O-N 2.93Å |
| 155 | C | 94.1 | Very high | 97.1 | Very high | 8 Ų | 8 | 29.9 Ų | 29.9 | 5% | 0.054 | 17% | 0.167 | C | C | . | . | trans | -68.7 | 123 | 173.1 | -168.8 | 0 | 0 | 0 | 0 | 110.1 | L152 E153 G157 A159 | L152-C155 VanDerWaalsContact O-CB 3.24Å; L152-C155 WeakPolarHBondContact O-CB 3.43Å; L152-C155 PolarHBondContact O-N 3.1Å; E153-C155 PolarHBondContact O-N 3.45Å; C155-G157 PolarHBondContact O-N 2.61Å; C155-A159 HydrophobicContact CB-CB 3.9Å | ||
| 156 | E | 87.4 | Confident | 96.7 | Very high | 183 Ų | 183 | 30.7 Ų | 30.7 | 86% | 0.855 | 17% | 0.172 | S | C | * | . | S | Bend | trans | -60.5 | -16.2 | 175.3 | -64.1 | 170.4 | 163.3 | 0 | 0 | 113.5 | K107 A154 | K107-E156 IonicContact NZ-OE2 3.15Å; A154-E156 PolarHBondContact O-N 2.93Å |
| 157 | G | 91.6 | Very high | 96.4 | Very high | 38 Ų | 38 | 38 Ų | 38 | 39% | 0.392 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -113.6 | -148.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | C155 S216 | C155-G157 PolarHBondContact O-N 2.61Å; G157-S216 PolarHBondContact O-OG 2.91Å |
| 158 | E | 96.3 | Very high | 96 | Very high | 40 Ų | 40 | 36.2 Ų | 36.2 | 19% | 0.187 | 19% | 0.192 | C | C | . | . | trans | -93 | 110.2 | 175 | 179 | -172.8 | 101.7 | 0 | 0 | 109.8 | R160 S216 T218 S275 G276 | E158-R160 HydrophobicContact CG-CG 4.3Å; E158-R160 IonicContact OE1-CZ 2.89Å; E158-R160 IonicContact OE1-NE 3.7Å; E158-R160 PolarHBondContact OE1-NE 3.24Å; E158-R160 IonicContact OE1-NH2 3.11Å; E158-R160 PolarHBondContact OE1-NH2 3.46Å; E158-S216 WeakPolarHBondContact CG-O 3.41Å; E158-T218 HydrophobicContact CG-CG2 3.89Å; E158-S275 WeakPolarHBondContact OE1-CA 3.19Å; E158-S275 PolarHBondContact OE1-OG 2.73Å; E158-S275 WeakPolarHBondContact OE2-CA 3.32Å; E158-S275 PolarHBondContact OE2-OG 3.13Å; E158-G276 PolarHBondContact OE2-N 2.77Å | ||
| 159 | A | 98.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | trans | -81.3 | 146.9 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | L108 D109 L152 C155 V217 T218 | L108-A159 WeakPolarHBondContact O-CB 3.46Å; D109-A159 VanDerWaalsContact O-CA 3.32Å; D109-A159 WeakPolarHBondContact O-CA 3.44Å; L152-A159 HydrophobicContact CB-CB 4.12Å; L152-A159 HydrophobicContact CD2-CB 3.95Å; L152-A159 VanDerWaalsContact O-CB 3.24Å; L152-A159 WeakPolarHBondContact O-CB 3.35Å; C155-A159 HydrophobicContact CB-CB 3.9Å; A159-V217 HydrophobicContact CB-CG2 4.24Å; A159-V217 WeakPolarHBondContact O-CA 3.36Å; A159-T218 PolarHBondContact O-N 2.91Å; A159-T218 PolarHBondContact O-OG1 2.78Å | ||
| 160 | R | 98.8 | Very high | 95.7 | Very high | 20 Ų | 20 | 39.7 Ų | 39.7 | 8% | 0.075 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 122.4 | -172.9 | -53.8 | -165.9 | 179.8 | 174.6 | -6.5 | 113.3 | D109 G110 L111 E158 T218 L268 L269 S271 | D109-R160 PolarHBondContact O-N 3.35Å; G110-R160 CarbonylContact C-O 3.5Å; G110-R160 WeakPolarHBondContact CA-O 3.35Å; L111-R160 PolarHBondContact N-O 3.5Å; E158-R160 HydrophobicContact CG-CG 4.3Å; E158-R160 IonicContact OE1-CZ 2.89Å; E158-R160 IonicContact OE1-NE 3.7Å; E158-R160 PolarHBondContact OE1-NE 3.24Å; E158-R160 IonicContact OE1-NH2 3.11Å; E158-R160 PolarHBondContact OE1-NH2 3.46Å; R160-T218 WeakPolarHBondContact CG-OG1 3.48Å; R160-L268 WeakPolarHBondContact CD-O 3.37Å; R160-L268 PolarHBondContact NH1-O 3.29Å; R160-L269 HydrophobicContact CB-CD2 4.35Å; R160-S271 PolarHBondContact NH1-O 3.09Å; R160-S271 PolarHBondContact NH2-O 3.32Å |
| 161 | I | 98.9 | Very high | 95.3 | Very high | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 127.8 | 172.8 | -51.8 | 172.9 | 0 | 0 | 0 | 109.1 | L111 L149 L152 F163 L206 V217 T218 S219 N220 | L111-I161 HydrophobicContact CD2-CG2 4.35Å; L111-I161 HydrophobicContact CG-CG2 4.49Å; L111-I161 CarbonylContact O-C 3.51Å; L111-I161 WeakPolarHBondContact O-CA 3.4Å; L149-I161 HydrophobicContact CD2-CD1 4.27Å; L152-I161 HydrophobicContact CD1-CD1 3.8Å; L152-I161 HydrophobicContact CD1-CG1 3.83Å; I161-F163 HydrophobicContact CG2-CD2 4.16Å; I161-F163 HydrophobicContact CG2-CE2 3.47Å; I161-F163 VanDerWaalsContact CG2-CE2 3.47Å; I161-F163 HydrophobicContact CG2-CZ 3.91Å; I161-L206 HydrophobicContact CD1-CD2 3.79Å; I161-V217 HydrophobicContact CD1-CG1 3.84Å; I161-V217 HydrophobicContact CG1-CG1 3.98Å; I161-T218 PolarHBondContact N-O 3.12Å; I161-S219 WeakPolarHBondContact O-CA 3.1Å; I161-N220 PolarHBondContact O-N 3.43Å |
| 162 | V | 98.9 | Very high | 95 | Very high | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.012 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 123.7 | 178.3 | 179.8 | 0 | 0 | 0 | 0 | 110.9 | L111 N113 N220 P265 L268 L269 | L111-V162 PolarHBondContact O-N 3.41Å; N113-V162 PolarHBondContact N-O 3.41Å; V162-N220 WeakPolarHBondContact CA-O 3.49Å; V162-P265 HydrophobicContact CG1-CB 4.31Å; V162-L268 HydrophobicContact CG1-CD1 4.05Å; V162-L268 HydrophobicContact CG2-CB 3.69Å; V162-L268 HydrophobicContact CG2-CD1 4.41Å; V162-L269 HydrophobicContact CG2-CD2 3.81Å; V162-L269 HydrophobicContact CG2-CG 3.97Å |
| 163 | F | 98.8 | Very high | 94.3 | Very high | 1 Ų | 1 | 45.7 Ų | 45.7 | 0% | 0.004 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 121.7 | 170.8 | -63.5 | -96.6 | 0 | 0 | 0 | 111 | N113 N141 C145 I161 S165 Q199 Y202 N220 S221 C222 | N113-F163 HydrophobicContact CB-CD1 3.77Å; N113-F163 HydrophobicContact CB-CE1 4.13Å; N113-F163 HydrophobicContact CB-CG 4.35Å; N113-F163 WeakPolarHBondContact ND2-CE1 3.09Å; N141-F163 HydrophobicContact CB-CD1 4.28Å; N141-F163 HydrophobicContact CB-CE1 3.88Å; C145-F163 WeakPolarHBondContact SG-CZ 3.24Å; I161-F163 HydrophobicContact CG2-CD2 4.16Å; I161-F163 HydrophobicContact CG2-CE2 3.47Å; I161-F163 VanDerWaalsContact CG2-CE2 3.47Å; I161-F163 HydrophobicContact CG2-CZ 3.91Å; F163-S165 PolarHBondContact O-N 3.07Å; F163-Q199 HydrophobicContact CB-CB 4.3Å; F163-Q199 HydrophobicContact CD1-CB 4.35Å; F163-Q199 HydrophobicContact CD1-CG 4.39Å; F163-Y202 AromaticContact CE1-CD1 3.77Å; F163-Y202 HydrophobicContact CE1-CD1 3.77Å; F163-Y202 HydrophobicContact CE1-CE1 4.04Å; F163-Y202 HydrophobicContact CE2-CD1 4.35Å; F163-Y202 AromaticContact CZ-CD1 3.52Å; F163-Y202 HydrophobicContact CZ-CD1 3.52Å; F163-Y202 AromaticContact CZ-CE1 3.56Å; F163-Y202 HydrophobicContact CZ-CE1 3.56Å; F163-N220 PolarHBondContact N-O 3.46Å; F163-S221 CarbonylContact O-C 3.59Å; F163-S221 WeakPolarHBondContact O-CA 3.39Å; F163-C222 PolarHBondContact O-N 3.15Å |
| 164 | V | 97.5 | Very high | 94 | Very high | 8 Ų | 8 | 45.2 Ų | 45.2 | 5% | 0.048 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 91.4 | 174.8 | -171.9 | 0 | 0 | 0 | 0 | 109.3 | V112 N113 N114 K196 Q199 P224 P265 | V112-V164 HydrophobicContact CG1-CG2 4.19Å; N113-V164 PolarHBondContact O-N 3.33Å; N114-V164 HydrophobicContact CB-CB 4.48Å; N114-V164 HydrophobicContact CB-CG2 3.84Å; V164-K196 PolarHBondContact O-NZ 3.19Å; V164-Q199 PolarHBondContact O-OE1 2.76Å; V164-P224 HydrophobicContact CG1-CB 4.38Å; V164-P224 HydrophobicContact CG1-CG 3.79Å; V164-P265 HydrophobicContact CG2-CG 4.09Å |
| 165 | S | 96.2 | Very high | 93.9 | Very high | 4 Ų | 4 | 43.8 Ų | 43.8 | 3% | 0.028 | 24% | 0.237 | C | C | . | . | trans | -86.2 | -161.3 | 175.9 | -173.7 | 0 | 0 | 0 | 0 | 111.6 | F163 K196 C222 P224 | F163-S165 PolarHBondContact O-N 3.07Å; S165-K196 PolarHBondContact OG-O 3.36Å; S165-C222 CarbonylContact C-O 3.55Å; S165-C222 WeakPolarHBondContact CA-O 3.27Å; S165-C222 PolarHBondContact N-O 3.08Å; S165-P224 WeakPolarHBondContact O-CD 3.39Å | ||
| 166 | S | 91.7 | Very high | 94 | Very high | 17 Ų | 17 | 46.4 Ų | 46.4 | 12% | 0.119 | 25% | 0.25 | C | C | . | . | trans | -148.8 | 157.5 | -178.4 | -178 | 0 | 0 | 0 | 0 | 110.9 | S168 H169 | S166-S168 PolarHBondContact O-N 3.43Å; S166-S168 VanDerWaalsContact O-N 3.15Å; S166-S168 PolarHBondContact OG-N 2.98Å; S166-S168 VanDerWaalsContact OG-N 3.13Å; S166-S168 PolarHBondContact OG-OG 3Å; S166-H169 WeakPolarHBondContact O-CB 3.35Å; S166-H169 PolarHBondContact O-N 3.45Å; S166-H169 VanDerWaalsContact O-N 3.08Å; S166-H169 PolarHBondContact O-ND1 3.24Å | ||
| 167 | R | 90.1 | Very high | 94.3 | Very high | 179 Ų | 179 | 38.9 Ų | 38.9 | 68% | 0.675 | 22% | 0.216 | S | C | * | . | G | 310 helix | trans | -57.9 | -21.8 | 165 | -167.1 | 173 | -178.2 | 124.5 | 1 | 112.5 | H169 H170 H223 | R167-H169 PolarHBondContact O-N 3.43Å; R167-H169 VanDerWaalsContact O-N 3.08Å; R167-H170 PolarHBondContact O-CD2 3.1Å; R167-H170 VanDerWaalsContact O-CD2 3.32Å; R167-H170 PolarHBondContact O-N 2.87Å; R167-H223 PolarHBondContact N-ND1 2.86Å |
| 168 | S | 91.4 | Very high | 94.3 | Very high | 9 Ų | 9 | 43.8 Ų | 43.8 | 6% | 0.063 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -59.1 | -14 | 172.2 | -56.2 | 0 | 0 | 0 | 0 | 114.4 | S166 H170 W171 Y192 G193 | S166-S168 PolarHBondContact O-N 3.43Å; S166-S168 VanDerWaalsContact O-N 3.15Å; S166-S168 PolarHBondContact OG-N 2.98Å; S166-S168 VanDerWaalsContact OG-N 3.13Å; S166-S168 PolarHBondContact OG-OG 3Å; S168-H170 PolarHBondContact O-N 3.04Å; S168-W171 VanDerWaalsContact CB-CE3 3.44Å; S168-W171 VanDerWaalsContact O-CB 3.26Å; S168-W171 WeakPolarHBondContact O-CB 3.41Å; S168-W171 PolarHBondContact O-N 3.1Å; S168-W171 WeakPolarHBondContact OG-CH2 3.27Å; S168-W171 WeakPolarHBondContact OG-CZ2 3.36Å; S168-W171 WeakPolarHBondContact OG-CZ3 3.32Å; S168-Y192 WeakPolarHBondContact OG-CE1 3.37Å; S168-G193 WeakPolarHBondContact O-CA 3.35Å |
| 169 | H | 94.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -58.7 | -27.1 | 172.7 | 78.9 | -83.5 | 0 | 0 | 0 | 112.6 | S166 R167 W171 A172 K196 V197 I200 Y281 P290 S291 | S166-H169 WeakPolarHBondContact O-CB 3.35Å; S166-H169 PolarHBondContact O-N 3.45Å; S166-H169 VanDerWaalsContact O-N 3.08Å; S166-H169 PolarHBondContact O-ND1 3.24Å; R167-H169 PolarHBondContact O-N 3.43Å; R167-H169 VanDerWaalsContact O-N 3.08Å; H169-W171 PolarHBondContact O-N 3.13Å; H169-A172 PolarHBondContact O-N 3.14Å; H169-K196 HydrophobicContact CB-CB 4.14Å; H169-V197 HydrophobicContact CB-CB 3.9Å; H169-V197 HydrophobicContact CB-CG2 4.33Å; H169-I200 HydrophobicContact CB-CD1 3.9Å; H169-Y281 AromaticContact CE1-CE1 3.97Å; H169-Y281 AromaticContact CE1-CZ 3.75Å; H169-Y281 PolarHBondContact CE1-OH 2.79Å; H169-P290 WeakPolarHBondContact NE2-CA 3.12Å; H169-S291 PolarHBondContact CD2-N 3.17Å; H169-S291 PolarHBondContact CD2-OG 3Å; H169-S291 PolarHBondContact NE2-N 3.15Å |
| 170 | H | 93.9 | Very high | 94.1 | Very high | 96 Ų | 96 | 46.5 Ų | 46.5 | 44% | 0.444 | 25% | 0.245 | S | C | . | . | G | 310 helix | trans | -69.5 | -11 | 173.1 | -66.9 | -76.3 | 0 | 0 | 0 | 113.9 | R167 S168 A172 | R167-H170 PolarHBondContact O-CD2 3.1Å; R167-H170 VanDerWaalsContact O-CD2 3.32Å; R167-H170 PolarHBondContact O-N 2.87Å; S168-H170 PolarHBondContact O-N 3.04Å; H170-A172 VanDerWaalsContact C-N 3.28Å |
| 171 | W | 90.8 | Very high | 94 | Very high | 132 Ų | 132 | 47.6 Ų | 47.6 | 50% | 0.5 | 25% | 0.252 | S | S | . | . | G | 310 helix | trans | -80.1 | -14 | 175.8 | -54.3 | -20.2 | 0 | 0 | 0 | 112.4 | F119 S168 H169 G173 F189 Y192 | F119-W171 HydrophobicContact CE1-CH2 4.47Å; F119-W171 AromaticContact CE1-CZ3 3.78Å; F119-W171 HydrophobicContact CE1-CZ3 3.78Å; F119-W171 AromaticContact CZ-CH2 3.94Å; F119-W171 HydrophobicContact CZ-CH2 3.94Å; F119-W171 AromaticContact CZ-CZ3 3.71Å; F119-W171 HydrophobicContact CZ-CZ3 3.71Å; S168-W171 VanDerWaalsContact CB-CE3 3.44Å; S168-W171 VanDerWaalsContact O-CB 3.26Å; S168-W171 WeakPolarHBondContact O-CB 3.41Å; S168-W171 PolarHBondContact O-N 3.1Å; S168-W171 WeakPolarHBondContact OG-CH2 3.27Å; S168-W171 WeakPolarHBondContact OG-CZ2 3.36Å; S168-W171 WeakPolarHBondContact OG-CZ3 3.32Å; H169-W171 PolarHBondContact O-N 3.13Å; W171-G173 PolarHBondContact O-N 3.38Å; W171-F189 HydrophobicContact CZ3-CD1 4.48Å; W171-Y192 HydrophobicContact CZ3-CD1 4.08Å |
| 172 | A | 91 | Very high | 93.9 | Very high | 7 Ų | 7 | 49.2 Ų | 49.2 | 6% | 0.058 | 26% | 0.264 | C | S | . | . | trans | -80.1 | 95.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | H169 H170 S174 K194 V197 L293 | H169-A172 PolarHBondContact O-N 3.14Å; H170-A172 VanDerWaalsContact C-N 3.28Å; A172-S174 VanDerWaalsContact C-N 3.32Å; A172-K194 HydrophobicContact CB-CG 4.09Å; A172-V197 HydrophobicContact CB-CB 4.12Å; A172-V197 HydrophobicContact CB-CG1 3.58Å; A172-L293 HydrophobicContact CB-CD2 3.96Å; A172-L293 WeakPolarHBondContact O-CD2 3.21Å | ||
| 173 | G | 84.3 | Confident | 93.7 | Very high | 78 Ų | 78 | 57.2 Ų | 57.2 | 80% | 0.804 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -69 | -31.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | W171 | W171-G173 PolarHBondContact O-N 3.38Š|
| 174 | S | 92.4 | Very high | 93.6 | Very high | 76 Ų | 76 | 62 Ų | 62 | 53% | 0.531 | 33% | 0.328 | S | S | . | . | trans | -153.1 | 159.3 | 173.6 | 64.1 | 0 | 0 | 0 | 0 | 111.1 | A172 | A172-S174 VanDerWaalsContact C-N 3.32Š| ||
| 175 | L | 95.2 | Very high | 93.3 | Very high | 21 Ų | 21 | 65.8 Ų | 65.8 | 11% | 0.11 | 34% | 0.344 | C | S | . | . | trans | -125.5 | 99.9 | 175.5 | -175.1 | 65.7 | 0 | 0 | 0 | 110 | W134 V177 K194 M201 L293 L303 | W134-L175 HydrophobicContact CH2-CD1 3.81Å; W134-L175 HydrophobicContact CH2-CD2 4.28Å; W134-L175 HydrophobicContact CZ3-CD1 4.06Å; L175-V177 HydrophobicContact CG-CG1 4.36Å; L175-K194 HydrophobicContact CD1-CB 3.98Å; L175-K194 HydrophobicContact CD1-CD 4.23Å; L175-K194 HydrophobicContact CD1-CG 4.05Å; L175-M201 HydrophobicContact CD2-CE 4.29Å; L175-M201 HydrophobicContact CD2-SD 3.98Å; L175-L293 HydrophobicContact CB-CD2 4.18Å; L175-L303 HydrophobicContact CD2-CD1 3.77Å; L175-L303 HydrophobicContact CD2-CD2 3.8Å; L175-L303 HydrophobicContact CD2-CG 4.22Å | ||
| 176 | N | 94.6 | Very high | 93.3 | Very high | 63 Ų | 63 | 68.1 Ų | 68.1 | 34% | 0.337 | 35% | 0.352 | S | S | . | . | trans | -102.7 | 110.1 | 168.1 | -179.6 | -44.8 | 0 | 0 | 0 | 107.9 | D178 K179 | N176-D178 WeakPolarHBondContact OD1-CB 3.14Å; N176-D178 PolarHBondContact OD1-N 3.24Å; N176-K179 HydrophobicContact CB-CB 4.48Å; N176-K179 HydrophobicContact CB-CD 4.41Å; N176-K179 PolarHBondContact O-N 3.04Å; N176-K179 PolarHBondContact OD1-N 3.41Å; N176-K179 VanDerWaalsContact OD1-N 3.17Å | ||
| 177 | V | 94.1 | Very high | 93.4 | Very high | 25 Ų | 25 | 70.7 Ų | 70.7 | 15% | 0.152 | 37% | 0.365 | C | S | . | . | G | 310 helix | trans | -70.4 | -32.2 | -176.6 | -66.2 | 0 | 0 | 0 | 0 | 112.5 | L175 K179 I180 L303 Y306 | L175-V177 HydrophobicContact CG-CG1 4.36Å; V177-K179 PolarHBondContact O-N 3.26Å; V177-K179 VanDerWaalsContact O-N 3.15Å; V177-I180 WeakPolarHBondContact O-CG2 3.47Å; V177-I180 PolarHBondContact O-N 3.15Å; V177-L303 HydrophobicContact CG1-CD1 3.71Å; V177-Y306 HydrophobicContact CB-CD1 3.88Å; V177-Y306 HydrophobicContact CB-CD2 3.69Å; V177-Y306 HydrophobicContact CB-CE1 4.16Å; V177-Y306 HydrophobicContact CB-CE2 3.99Å; V177-Y306 HydrophobicContact CB-CG 3.63Å; V177-Y306 HydrophobicContact CG1-CD1 3.76Å; V177-Y306 HydrophobicContact CG1-CD2 4.46Å; V177-Y306 HydrophobicContact CG1-CE1 4.19Å; V177-Y306 HydrophobicContact CG1-CG 3.9Å; V177-Y306 HydrophobicContact CG2-CD2 3.84Å; V177-Y306 HydrophobicContact CG2-CG 3.84Å |
| 178 | D | 93.2 | Very high | 93.5 | Very high | 140 Ų | 140 | 65.2 Ų | 65.2 | 75% | 0.749 | 34% | 0.344 | S | S | * | . | G | 310 helix | trans | -66 | -20.4 | 178.7 | -51 | -39.6 | 0 | 0 | 0 | 112.8 | N176 | N176-D178 WeakPolarHBondContact OD1-CB 3.14Å; N176-D178 PolarHBondContact OD1-N 3.24Å |
| 179 | K | 95.1 | Very high | 93.4 | Very high | 94 Ų | 94 | 68.9 Ų | 68.9 | 41% | 0.409 | 36% | 0.359 | S | S | . | . | G | 310 helix | trans | -102.9 | -4.9 | -179 | -65.6 | 179.3 | 175 | -163.2 | 0 | 113.5 | N176 V177 D181 S182 H185 | N176-K179 HydrophobicContact CB-CB 4.48Å; N176-K179 HydrophobicContact CB-CD 4.41Å; N176-K179 PolarHBondContact O-N 3.04Å; N176-K179 PolarHBondContact OD1-N 3.41Å; N176-K179 VanDerWaalsContact OD1-N 3.17Å; V177-K179 PolarHBondContact O-N 3.26Å; V177-K179 VanDerWaalsContact O-N 3.15Å; K179-D181 VanDerWaalsContact C-N 3.31Å; K179-D181 PolarHBondContact O-N 3.38Å; K179-S182 VanDerWaalsContact O-CB 3.28Å; K179-S182 WeakPolarHBondContact O-CB 3.3Å; K179-S182 PolarHBondContact O-N 3Å; K179-S182 VanDerWaalsContact O-N 3.16Å; K179-H185 HydrophobicContact CB-CB 4.31Å |
| 180 | I | 95.3 | Very high | 93.4 | Very high | 4 Ų | 4 | 70.3 Ų | 70.3 | 2% | 0.021 | 37% | 0.371 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -35.8 | -170.1 | -160.4 | 61.6 | 0 | 0 | 0 | 112.6 | W134 V177 S182 T191 K194 Y306 | W134-I180 HydrophobicContact CB-CG1 4.12Å; W134-I180 HydrophobicContact CD2-CD1 4.23Å; W134-I180 HydrophobicContact CD2-CG1 3.54Å; W134-I180 HydrophobicContact CE3-CD1 4.1Å; W134-I180 HydrophobicContact CE3-CG1 3.94Å; W134-I180 HydrophobicContact CG-CG1 3.61Å; W134-I180 HydrophobicContact CG-CG2 4.34Å; W134-I180 HydrophobicContact CZ2-CG1 4.43Å; V177-I180 WeakPolarHBondContact O-CG2 3.47Å; V177-I180 PolarHBondContact O-N 3.15Å; I180-S182 VanDerWaalsContact C-N 3.29Å; I180-S182 PolarHBondContact O-N 2.91Å; I180-T191 HydrophobicContact CD1-CG2 4.48Å; I180-K194 HydrophobicContact CD1-CB 4.27Å; I180-K194 HydrophobicContact CD1-CD 3.6Å; I180-Y306 WeakPolarHBondContact CG2-OH 3.49Å |
| 181 | D | 96.1 | Very high | 93.4 | Very high | 42 Ų | 42 | 65.8 Ų | 65.8 | 23% | 0.225 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | 10.1 | -179.6 | -61 | -40.2 | 0 | 0 | 0 | 112.1 | F123 L125 H130 E131 K179 Y306 | F123-D181 VanDerWaalsContact CZ-O 3.25Å; F123-D181 WeakPolarHBondContact CZ-O 3.25Å; L125-D181 HydrophobicContact CD2-CB 4.27Å; H130-D181 WeakPolarHBondContact CA-OD1 3.41Å; H130-D181 IonicContact CE1-OD2 3.88Å; H130-D181 IonicContact ND1-OD1 3.9Å; H130-D181 IonicContact ND1-OD2 2.99Å; H130-D181 PolarHBondContact ND1-OD2 3.24Å; E131-D181 PolarHBondContact N-OD1 3.27Å; K179-D181 VanDerWaalsContact C-N 3.31Å; K179-D181 PolarHBondContact O-N 3.38Å; D181-Y306 PolarHBondContact OD2-OH 3.49Å |
| 182 | S | 95.8 | Very high | 93.6 | Very high | 35 Ų | 35 | 60 Ų | 60 | 25% | 0.245 | 33% | 0.329 | C | S | . | . | trans | -92 | 123.5 | -177.7 | -177.1 | 0 | 0 | 0 | 0 | 112.5 | K179 I180 S184 H185 W186 | K179-S182 VanDerWaalsContact O-CB 3.28Å; K179-S182 WeakPolarHBondContact O-CB 3.3Å; K179-S182 PolarHBondContact O-N 3Å; K179-S182 VanDerWaalsContact O-N 3.16Å; I180-S182 VanDerWaalsContact C-N 3.29Å; I180-S182 PolarHBondContact O-N 2.91Å; S182-S184 VanDerWaalsContact C-N 3.29Å; S182-S184 PolarHBondContact O-N 3.16Å; S182-S184 PolarHBondContact OG-OG 2.88Å; S182-S184 VanDerWaalsContact OG-OG 3.09Å; S182-H185 PolarHBondContact O-N 3.45Å; S182-H185 VanDerWaalsContact O-N 3.14Å; S182-H185 PolarHBondContact OG-ND1 3.25Å; S182-H185 VanDerWaalsContact OG-ND1 3.12Å; S182-W186 PolarHBondContact O-N 3.48Å | ||
| 183 | R | 95.5 | Very high | 93.8 | Very high | 170 Ų | 170 | 59.7 Ų | 59.7 | 64% | 0.642 | 33% | 0.326 | S | S | * | . | G | 310 helix | trans | -56 | -40.2 | 175.9 | 179.3 | 178.2 | -74.5 | -87.2 | 2.6 | 112.9 | F123 H185 W186 | F123-R183 HydrophobicContact CB-CG 4.5Å; F123-R183 HydrophobicContact CD1-CB 3.84Å; F123-R183 HydrophobicContact CD1-CG 4.01Å; F123-R183 HydrophobicContact CD2-CB 4.36Å; F123-R183 HydrophobicContact CE1-CB 3.78Å; F123-R183 HydrophobicContact CE1-CG 4.43Å; F123-R183 HydrophobicContact CE2-CB 4.31Å; F123-R183 HydrophobicContact CG-CB 4.12Å; F123-R183 HydrophobicContact CG-CG 4.18Å; F123-R183 HydrophobicContact CZ-CB 4.01Å; R183-H185 PolarHBondContact O-N 2.97Å; R183-W186 PolarHBondContact O-N 3.35Å |
| 184 | S | 95.6 | Very high | 94.4 | Very high | 103 Ų | 103 | 57.5 Ų | 57.5 | 72% | 0.72 | 29% | 0.294 | S | S | * | . | G | 310 helix | trans | -71.4 | -15.8 | -177 | 54.7 | 0 | 0 | 0 | 0 | 113.6 | S182 | S182-S184 VanDerWaalsContact C-N 3.29Å; S182-S184 PolarHBondContact O-N 3.16Å; S182-S184 PolarHBondContact OG-OG 2.88Å; S182-S184 VanDerWaalsContact OG-OG 3.09Å |
| 185 | H | 93 | Very high | 94.6 | Very high | 87 Ų | 87 | 53.9 Ų | 53.9 | 40% | 0.403 | 27% | 0.269 | S | S | . | . | G | 310 helix | trans | -109.6 | 8 | 179.2 | -61.3 | 87.8 | 0 | 0 | 0 | 112.8 | K179 S182 R183 | K179-H185 HydrophobicContact CB-CB 4.31Å; S182-H185 PolarHBondContact O-N 3.45Å; S182-H185 VanDerWaalsContact O-N 3.14Å; S182-H185 PolarHBondContact OG-ND1 3.25Å; S182-H185 VanDerWaalsContact OG-ND1 3.12Å; R183-H185 PolarHBondContact O-N 2.97Å |
| 186 | W | 95.7 | Very high | 94.7 | Very high | 52 Ų | 52 | 53.1 Ų | 53.1 | 20% | 0.197 | 27% | 0.265 | C | S | . | . | trans | -84.3 | 126.4 | -175.9 | -177.7 | 86.5 | 0 | 0 | 0 | 112 | Y120 F123 E131 S182 R183 R188 | Y120-W186 WeakPolarHBondContact O-CZ2 3.16Å; F123-W186 HydrophobicContact CB-CB 4.32Å; F123-W186 HydrophobicContact CB-CD2 3.76Å; F123-W186 HydrophobicContact CB-CE3 4.01Å; F123-W186 HydrophobicContact CB-CG 3.92Å; F123-W186 HydrophobicContact CD2-CB 3.62Å; F123-W186 AromaticContact CD2-CD1 3.59Å; F123-W186 HydrophobicContact CD2-CD2 4.31Å; F123-W186 AromaticContact CD2-CG 3.58Å; F123-W186 HydrophobicContact CD2-CG 3.58Å; F123-W186 HydrophobicContact CE2-CB 4.41Å; F123-W186 HydrophobicContact CG-CB 4.35Å; F123-W186 HydrophobicContact CG-CG 4.23Å; E131-W186 PolarHBondContact OE1-NE1 3.37Å; S182-W186 PolarHBondContact O-N 3.48Å; R183-W186 PolarHBondContact O-N 3.35Å; W186-R188 HydrophobicContact CH2-CB 3.8Å; W186-R188 HydrophobicContact CZ2-CB 3.79Å | ||
| 187 | D | 93.5 | Very high | 94.9 | Very high | 72 Ų | 72 | 50.1 Ų | 50.1 | 39% | 0.385 | 25% | 0.249 | S | C | . | . | trans | -133.1 | 134.5 | 161.3 | 167.6 | -102.1 | 0 | 0 | 0 | 109 | F189 A190 T191 | D187-F189 PolarHBondContact O-N 3.08Å; D187-F189 WeakPolarHBondContact OD1-CA 3.31Å; D187-F189 WeakPolarHBondContact OD1-CB 3.07Å; D187-F189 PolarHBondContact OD1-N 3.31Å; D187-A190 HydrophobicContact CB-CB 3.95Å; D187-A190 PolarHBondContact O-N 3.12Å; D187-A190 WeakPolarHBondContact OD1-CB 3.32Å; D187-A190 PolarHBondContact OD1-N 3.11Å; D187-T191 WeakPolarHBondContact O-CB 3.27Å; D187-T191 PolarHBondContact O-N 3.03Å; D187-T191 PolarHBondContact O-OG1 2.82Å | ||
| 188 | R | 92.2 | Very high | 95.1 | Very high | 63 Ų | 63 | 49 Ų | 49 | 24% | 0.238 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.3 | -31.2 | -173.6 | 74.2 | 178.6 | 69.3 | -160.5 | -2.9 | 113.1 | F119 P121 W186 Y192 | F119-R188 HydrophobicContact CB-CG 4.41Å; F119-R188 HydrophobicContact CD1-CG 4.45Å; P121-R188 PolarHBondContact O-NH2 2.94Å; W186-R188 HydrophobicContact CH2-CB 3.8Å; W186-R188 HydrophobicContact CZ2-CB 3.79Å; R188-Y192 WeakPolarHBondContact O-CB 3.35Å; R188-Y192 PolarHBondContact O-N 2.89Å |
| 189 | F | 90 | Very high | 95.4 | Very high | 86 Ų | 86 | 42.3 Ų | 42.3 | 38% | 0.377 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -81.8 | -46.5 | -178.9 | -63.4 | -88.4 | 0 | 0 | 0 | 110.3 | F119 W171 D187 Y192 G193 | F119-F189 AromaticContact CD1-CD1 3.65Å; F119-F189 HydrophobicContact CD1-CD1 3.65Å; F119-F189 AromaticContact CD1-CE1 3.91Å; F119-F189 HydrophobicContact CD1-CE1 3.91Å; F119-F189 HydrophobicContact CD1-CG 4.19Å; F119-F189 HydrophobicContact CD2-CE1 4.1Å; F119-F189 HydrophobicContact CE1-CB 4.3Å; F119-F189 AromaticContact CE1-CD1 3.16Å; F119-F189 HydrophobicContact CE1-CD1 3.16Å; F119-F189 AromaticContact CE1-CE1 3.65Å; F119-F189 HydrophobicContact CE1-CE1 3.65Å; F119-F189 AromaticContact CE1-CG 3.96Å; F119-F189 HydrophobicContact CE1-CG 3.96Å; F119-F189 HydrophobicContact CE2-CD1 4.17Å; F119-F189 AromaticContact CE2-CE1 3.82Å; F119-F189 HydrophobicContact CE2-CE1 3.82Å; F119-F189 HydrophobicContact CG-CD1 4.36Å; F119-F189 HydrophobicContact CG-CE1 4.16Å; F119-F189 AromaticContact CZ-CD1 3.46Å; F119-F189 HydrophobicContact CZ-CD1 3.46Å; F119-F189 VanDerWaalsContact CZ-CD1 3.46Å; F119-F189 AromaticContact CZ-CE1 3.6Å; F119-F189 HydrophobicContact CZ-CE1 3.6Å; W171-F189 HydrophobicContact CZ3-CD1 4.48Å; D187-F189 PolarHBondContact O-N 3.08Å; D187-F189 WeakPolarHBondContact OD1-CA 3.31Å; D187-F189 WeakPolarHBondContact OD1-CB 3.07Å; D187-F189 PolarHBondContact OD1-N 3.31Å; F189-Y192 PolarHBondContact O-N 3.02Å; F189-G193 PolarHBondContact O-N 3.45Å |
| 190 | A | 93.2 | Very high | 95.5 | Very high | 30 Ų | 30 | 37.8 Ų | 37.8 | 25% | 0.248 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.2 | -47.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | D187 Y192 G193 K194 | D187-A190 HydrophobicContact CB-CB 3.95Å; D187-A190 PolarHBondContact O-N 3.12Å; D187-A190 WeakPolarHBondContact OD1-CB 3.32Å; D187-A190 PolarHBondContact OD1-N 3.11Å; A190-Y192 VanDerWaalsContact C-N 3.33Å; A190-Y192 PolarHBondContact O-N 3.43Å; A190-G193 PolarHBondContact O-N 3.04Å; A190-G193 VanDerWaalsContact O-N 3.16Å; A190-K194 WeakPolarHBondContact O-CB 3.37Å; A190-K194 VanDerWaalsContact O-CG 3.3Å; A190-K194 WeakPolarHBondContact O-CG 3.14Å; A190-K194 PolarHBondContact O-N 3.21Å |
| 191 | T | 95 | Very high | 95.7 | Very high | 2 Ų | 2 | 37.6 Ų | 37.6 | 1% | 0.012 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.6 | -38 | 179.8 | -56 | 0 | 0 | 0 | 0 | 112 | E131 I180 D187 K194 S195 | E131-T191 HydrophobicContact CG-CG2 4.22Å; E131-T191 WeakPolarHBondContact OE2-CG2 3.43Å; I180-T191 HydrophobicContact CD1-CG2 4.48Å; D187-T191 WeakPolarHBondContact O-CB 3.27Å; D187-T191 PolarHBondContact O-N 3.03Å; D187-T191 PolarHBondContact O-OG1 2.82Å; T191-K194 PolarHBondContact O-N 3.17Å; T191-S195 PolarHBondContact O-N 3.27Å |
| 192 | Y | 94.1 | Very high | 95.8 | Very high | 10 Ų | 10 | 35.7 Ų | 35.7 | 4% | 0.039 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.8 | -47.9 | 171.6 | -177.9 | -109.6 | 0 | 0 | 0 | 111.5 | I117 M118 F119 T133 S168 W171 R188 F189 A190 K194 S195 K196 | I117-Y192 VanDerWaalsContact O-CD2 3.31Å; I117-Y192 WeakPolarHBondContact O-CD2 3.12Å; I117-Y192 WeakPolarHBondContact O-CE2 3.38Å; M118-Y192 HydrophobicContact CB-CD2 4Å; M118-Y192 HydrophobicContact CB-CE2 3.68Å; M118-Y192 HydrophobicContact CG-CD1 3.98Å; M118-Y192 HydrophobicContact CG-CD2 3.99Å; M118-Y192 HydrophobicContact CG-CE1 3.82Å; M118-Y192 HydrophobicContact CG-CE2 3.83Å; M118-Y192 HydrophobicContact CG-CG 4.06Å; M118-Y192 HydrophobicContact SD-CE1 4.01Å; F119-Y192 HydrophobicContact CE1-CD1 4.04Å; F119-Y192 HydrophobicContact CE1-CG 4.35Å; T133-Y192 HydrophobicContact CG2-CD2 4.15Å; S168-Y192 WeakPolarHBondContact OG-CE1 3.37Å; W171-Y192 HydrophobicContact CZ3-CD1 4.08Å; R188-Y192 WeakPolarHBondContact O-CB 3.35Å; R188-Y192 PolarHBondContact O-N 2.89Å; F189-Y192 PolarHBondContact O-N 3.02Å; A190-Y192 VanDerWaalsContact C-N 3.33Å; A190-Y192 PolarHBondContact O-N 3.43Å; Y192-K194 PolarHBondContact O-N 3.29Å; Y192-S195 PolarHBondContact O-N 3.35Å; Y192-S195 PolarHBondContact O-OG 3.25Å; Y192-K196 HydrophobicContact CE1-CG 4.17Å; Y192-K196 HydrophobicContact CE2-CD 4.42Å; Y192-K196 HydrophobicContact CE2-CG 4.16Å; Y192-K196 WeakPolarHBondContact O-CG 3.04Å; Y192-K196 PolarHBondContact O-N 3.29Å; Y192-K196 VanDerWaalsContact O-N 3.11Å; Y192-K196 WeakPolarHBondContact OH-CE 3.49Å |
| 193 | G | 95.5 | Very high | 96 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -57.6 | -45.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | S168 F189 A190 S195 K196 V197 | S168-G193 WeakPolarHBondContact O-CA 3.35Å; F189-G193 PolarHBondContact O-N 3.45Å; A190-G193 PolarHBondContact O-N 3.04Å; A190-G193 VanDerWaalsContact O-N 3.16Å; G193-S195 PolarHBondContact O-N 3.42Å; G193-K196 PolarHBondContact O-N 3.37Å; G193-K196 VanDerWaalsContact O-N 3.1Å; G193-V197 PolarHBondContact O-N 3.46Å |
| 194 | K | 97.2 | Very high | 96.1 | Very high | 32 Ų | 32 | 27.7 Ų | 27.7 | 14% | 0.139 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -57.1 | -47.8 | 174.4 | -72.7 | 174.7 | -174.9 | 176.7 | 0 | 111.4 | W134 A172 L175 I180 A190 T191 Y192 K196 V197 A198 | W134-K194 HydrophobicContact CZ3-CB 4.24Å; A172-K194 HydrophobicContact CB-CG 4.09Å; L175-K194 HydrophobicContact CD1-CB 3.98Å; L175-K194 HydrophobicContact CD1-CD 4.23Å; L175-K194 HydrophobicContact CD1-CG 4.05Å; I180-K194 HydrophobicContact CD1-CB 4.27Å; I180-K194 HydrophobicContact CD1-CD 3.6Å; A190-K194 WeakPolarHBondContact O-CB 3.37Å; A190-K194 VanDerWaalsContact O-CG 3.3Å; A190-K194 WeakPolarHBondContact O-CG 3.14Å; A190-K194 PolarHBondContact O-N 3.21Å; T191-K194 PolarHBondContact O-N 3.17Å; Y192-K194 PolarHBondContact O-N 3.29Å; K194-K196 PolarHBondContact O-N 3.5Å; K194-V197 VanDerWaalsContact O-CG1 3.32Å; K194-V197 WeakPolarHBondContact O-CG1 3.45Å; K194-V197 PolarHBondContact O-N 2.98Å; K194-A198 VanDerWaalsContact O-CB 3.25Å; K194-A198 WeakPolarHBondContact O-CB 3.4Å; K194-A198 PolarHBondContact O-N 3.11Å |
| 195 | S | 97.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -59.3 | -34.5 | 177.3 | 77.5 | 0 | 0 | 0 | 0 | 112.7 | N137 T191 Y192 G193 Q199 | N137-S195 PolarHBondContact ND2-OG 2.98Å; N137-S195 VanDerWaalsContact ND2-OG 3.09Å; T191-S195 PolarHBondContact O-N 3.27Å; Y192-S195 PolarHBondContact O-N 3.35Å; Y192-S195 PolarHBondContact O-OG 3.25Å; G193-S195 PolarHBondContact O-N 3.42Å; S195-Q199 WeakPolarHBondContact O-CG 3.44Å; S195-Q199 PolarHBondContact O-N 2.95Å |
| 196 | K | 97.3 | Very high | 96.5 | Very high | 6 Ų | 6 | 19.1 Ų | 19.1 | 3% | 0.026 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -79.9 | -34.4 | -178.6 | -65 | -51.5 | -172.1 | 179.9 | 0 | 113.4 | V164 S165 H169 Y192 G193 K194 | V164-K196 PolarHBondContact O-NZ 3.19Å; S165-K196 PolarHBondContact OG-O 3.36Å; H169-K196 HydrophobicContact CB-CB 4.14Å; Y192-K196 HydrophobicContact CE1-CG 4.17Å; Y192-K196 HydrophobicContact CE2-CD 4.42Å; Y192-K196 HydrophobicContact CE2-CG 4.16Å; Y192-K196 WeakPolarHBondContact O-CG 3.04Å; Y192-K196 PolarHBondContact O-N 3.29Å; Y192-K196 VanDerWaalsContact O-N 3.11Å; Y192-K196 WeakPolarHBondContact OH-CE 3.49Å; G193-K196 PolarHBondContact O-N 3.37Å; G193-K196 VanDerWaalsContact O-N 3.1Å; K194-K196 PolarHBondContact O-N 3.5Å |
| 197 | V | 97.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -69.8 | -39.6 | 171.4 | 79.7 | 0 | 0 | 0 | 0 | 111 | H169 A172 G193 K194 Q199 I200 M201 S291 L293 A294 | H169-V197 HydrophobicContact CB-CB 3.9Å; H169-V197 HydrophobicContact CB-CG2 4.33Å; A172-V197 HydrophobicContact CB-CB 4.12Å; A172-V197 HydrophobicContact CB-CG1 3.58Å; G193-V197 PolarHBondContact O-N 3.46Å; K194-V197 VanDerWaalsContact O-CG1 3.32Å; K194-V197 WeakPolarHBondContact O-CG1 3.45Å; K194-V197 PolarHBondContact O-N 2.98Å; V197-Q199 VanDerWaalsContact C-N 3.33Å; V197-Q199 PolarHBondContact O-N 3.23Å; V197-I200 WeakPolarHBondContact O-CA 3.41Å; V197-I200 WeakPolarHBondContact O-CB 3.22Å; V197-I200 PolarHBondContact O-N 3.37Å; V197-M201 HydrophobicContact CG1-SD 4.26Å; V197-M201 HydrophobicContact CG2-CG 4.48Å; V197-M201 HydrophobicContact CG2-SD 4.24Å; V197-M201 WeakPolarHBondContact O-CG 3.34Å; V197-M201 PolarHBondContact O-N 3.05Å; V197-S291 WeakPolarHBondContact CG2-OG 3.24Å; V197-L293 HydrophobicContact CG1-CD2 4.02Å; V197-L293 HydrophobicContact CG2-CB 4.41Å; V197-L293 HydrophobicContact CG2-CD2 4.3Å; V197-L293 HydrophobicContact CG2-CG 4.24Å; V197-A294 HydrophobicContact CG2-CB 3.76Å |
| 198 | A | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -60.8 | -39.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | W134 Y138 K194 I200 M201 Y202 L303 | W134-A198 HydrophobicContact CH2-CB 3.41Å; W134-A198 VanDerWaalsContact CH2-CB 3.41Å; W134-A198 HydrophobicContact CZ3-CB 3.49Å; W134-A198 VanDerWaalsContact CZ3-CB 3.49Å; Y138-A198 HydrophobicContact CD1-CB 3.95Å; Y138-A198 HydrophobicContact CD2-CB 3.5Å; Y138-A198 VanDerWaalsContact CD2-CB 3.5Å; Y138-A198 HydrophobicContact CE1-CB 4.06Å; Y138-A198 VanDerWaalsContact CE2-C 3.45Å; Y138-A198 HydrophobicContact CE2-CB 3.66Å; Y138-A198 VanDerWaalsContact CE2-O 3.26Å; Y138-A198 WeakPolarHBondContact CE2-O 3.43Å; Y138-A198 HydrophobicContact CG-CB 3.64Å; K194-A198 VanDerWaalsContact O-CB 3.25Å; K194-A198 WeakPolarHBondContact O-CB 3.4Å; K194-A198 PolarHBondContact O-N 3.11Å; A198-I200 VanDerWaalsContact C-N 3.29Å; A198-I200 PolarHBondContact O-N 3.32Å; A198-M201 PolarHBondContact O-N 3.13Å; A198-Y202 WeakPolarHBondContact O-CB 3.3Å; A198-Y202 PolarHBondContact O-N 3.18Å; A198-L303 HydrophobicContact CB-CD2 3.84Å |
| 199 | Q | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -57 | -40.6 | 171.5 | -74.7 | 178.2 | -35.2 | 0 | 0 | 112.7 | N137 Y138 N141 F163 V164 S195 V197 S203 | N137-Q199 WeakPolarHBondContact O-CG 3.48Å; N137-Q199 PolarHBondContact O-NE2 2.93Å; Y138-Q199 HydrophobicContact CD2-CG 4.38Å; N141-Q199 PolarHBondContact OD1-NE2 3.13Å; F163-Q199 HydrophobicContact CB-CB 4.3Å; F163-Q199 HydrophobicContact CD1-CB 4.35Å; F163-Q199 HydrophobicContact CD1-CG 4.39Å; V164-Q199 PolarHBondContact O-OE1 2.76Å; S195-Q199 WeakPolarHBondContact O-CG 3.44Å; S195-Q199 PolarHBondContact O-N 2.95Å; V197-Q199 VanDerWaalsContact C-N 3.33Å; V197-Q199 PolarHBondContact O-N 3.23Å; Q199-S203 VanDerWaalsContact O-CB 3.31Å; Q199-S203 WeakPolarHBondContact O-CB 3.42Å; Q199-S203 PolarHBondContact O-N 3.36Å |
| 200 | I | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -71 | -47.3 | 179.4 | -58.7 | 170.1 | 0 | 0 | 0 | 109.8 | H169 V197 A198 Y202 S203 K204 Y281 P290 A294 | H169-I200 HydrophobicContact CB-CD1 3.9Å; V197-I200 WeakPolarHBondContact O-CA 3.41Å; V197-I200 WeakPolarHBondContact O-CB 3.22Å; V197-I200 PolarHBondContact O-N 3.37Å; A198-I200 VanDerWaalsContact C-N 3.29Å; A198-I200 PolarHBondContact O-N 3.32Å; I200-Y202 PolarHBondContact O-N 2.93Å; I200-S203 PolarHBondContact O-N 2.72Å; I200-K204 HydrophobicContact CG2-CD 4.26Å; I200-K204 WeakPolarHBondContact O-CG 3.43Å; I200-K204 PolarHBondContact O-N 3.07Å; I200-Y281 HydrophobicContact CD1-CD2 3.8Å; I200-Y281 HydrophobicContact CD1-CE2 3.66Å; I200-Y281 HydrophobicContact CG1-CD2 4.08Å; I200-Y281 HydrophobicContact CG1-CE2 4.23Å; I200-P290 HydrophobicContact CD1-CB 4.11Å; I200-P290 HydrophobicContact CG2-CB 3.9Å; I200-P290 HydrophobicContact CG2-CG 4Å; I200-A294 HydrophobicContact CB-CB 4.2Å; I200-A294 HydrophobicContact CG2-CB 3.82Å |
| 201 | M | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -56.4 | -49.6 | 178.1 | -69.7 | 171.5 | 77.3 | 0 | 0 | 111.5 | L175 V197 A198 S203 K204 L205 L293 A294 Q299 C300 L303 | L175-M201 HydrophobicContact CD2-CE 4.29Å; L175-M201 HydrophobicContact CD2-SD 3.98Å; V197-M201 HydrophobicContact CG1-SD 4.26Å; V197-M201 HydrophobicContact CG2-CG 4.48Å; V197-M201 HydrophobicContact CG2-SD 4.24Å; V197-M201 WeakPolarHBondContact O-CG 3.34Å; V197-M201 PolarHBondContact O-N 3.05Å; A198-M201 PolarHBondContact O-N 3.13Å; M201-S203 PolarHBondContact O-N 3Å; M201-K204 PolarHBondContact O-N 3.11Å; M201-L205 PolarHBondContact O-N 2.9Å; M201-L293 HydrophobicContact SD-CG 4.32Å; M201-A294 HydrophobicContact CG-CB 4.18Å; M201-Q299 VanDerWaalsContact CE-C 3.49Å; M201-Q299 HydrophobicContact CE-CB 3.69Å; M201-C300 HydrophobicContact CB-CB 4.43Å; M201-C300 VanDerWaalsContact CB-SG 3.57Å; M201-L303 HydrophobicContact CB-CD2 3.79Å; M201-L303 HydrophobicContact CE-CB 4.46Å; M201-L303 HydrophobicContact CE-CD2 4.12Å; M201-L303 HydrophobicContact SD-CD2 3.99Å |
| 202 | Y | 98.7 | Very high | 97.8 | Very high | 2 Ų | 2 | 25.7 Ų | 25.7 | 1% | 0.008 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -62.7 | -43.3 | 176.8 | 176.8 | -109.1 | 0 | 0 | 0 | 112.4 | Y138 V142 C145 E146 F163 A198 I200 K204 L205 L206 Y304 | Y138-Y202 HydrophobicContact CE2-CG 4.3Å; V142-Y202 HydrophobicContact CB-CE1 4.4Å; V142-Y202 HydrophobicContact CB-CE2 4.29Å; V142-Y202 HydrophobicContact CG1-CD2 4.37Å; V142-Y202 HydrophobicContact CG1-CE2 3.73Å; V142-Y202 HydrophobicContact CG2-CD1 3.95Å; V142-Y202 HydrophobicContact CG2-CD2 3.83Å; V142-Y202 HydrophobicContact CG2-CE1 4.03Å; V142-Y202 HydrophobicContact CG2-CE2 3.94Å; V142-Y202 HydrophobicContact CG2-CG 3.85Å; C145-Y202 HydrophobicContact CB-CE1 4.09Å; E146-Y202 WeakPolarHBondContact CG-OH 3.42Å; E146-Y202 PolarHBondContact OE1-OH 3.16Å; F163-Y202 AromaticContact CE1-CD1 3.77Å; F163-Y202 HydrophobicContact CE1-CD1 3.77Å; F163-Y202 HydrophobicContact CE1-CE1 4.04Å; F163-Y202 HydrophobicContact CE2-CD1 4.35Å; F163-Y202 AromaticContact CZ-CD1 3.52Å; F163-Y202 HydrophobicContact CZ-CD1 3.52Å; F163-Y202 AromaticContact CZ-CE1 3.56Å; F163-Y202 HydrophobicContact CZ-CE1 3.56Å; A198-Y202 WeakPolarHBondContact O-CB 3.3Å; A198-Y202 PolarHBondContact O-N 3.18Å; I200-Y202 PolarHBondContact O-N 2.93Å; Y202-K204 VanDerWaalsContact C-N 3.3Å; Y202-K204 PolarHBondContact O-N 2.88Å; Y202-L205 PolarHBondContact O-N 2.78Å; Y202-L206 HydrophobicContact CE1-CD2 4.06Å; Y202-L206 VanDerWaalsContact O-CB 3.23Å; Y202-L206 WeakPolarHBondContact O-CB 3.5Å; Y202-L206 PolarHBondContact O-N 3.29Å; Y202-Y304 HydrophobicContact CD2-CD2 4.02Å; Y202-Y304 AromaticContact CE2-CD2 3.8Å; Y202-Y304 HydrophobicContact CE2-CD2 3.8Å; Y202-Y304 AromaticContact CE2-CE2 3.97Å; Y202-Y304 HydrophobicContact CE2-CE2 3.97Å |
| 203 | S | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -58.4 | -42.2 | 176.5 | 179.9 | 0 | 0 | 0 | 0 | 112.2 | Q199 I200 M201 A207 S219 N220 | Q199-S203 VanDerWaalsContact O-CB 3.31Å; Q199-S203 WeakPolarHBondContact O-CB 3.42Å; Q199-S203 PolarHBondContact O-N 3.36Å; I200-S203 PolarHBondContact O-N 2.72Å; M201-S203 PolarHBondContact O-N 3Å; S203-A207 WeakPolarHBondContact O-CB 3.36Å; S203-A207 PolarHBondContact O-N 2.99Å; S203-S219 WeakPolarHBondContact CA-OG 3.5Å; S203-S219 PolarHBondContact O-OG 2.96Å; S203-S219 VanDerWaalsContact O-OG 3.11Å; S203-S219 PolarHBondContact OG-O 3.1Å; S203-S219 PolarHBondContact OG-OG 3.47Å; S203-N220 VanDerWaalsContact OG-C 3.22Å; S203-N220 WeakPolarHBondContact OG-CA 3.21Å; S203-N220 PolarHBondContact OG-N 3.09Å |
| 204 | K | 98.5 | Very high | 98 | Very high | 37 Ų | 37 | 32.3 Ų | 32.3 | 16% | 0.161 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.8 | -46.9 | 177.1 | -71.3 | 179.3 | 77.3 | -103.2 | 0 | 112.3 | I200 M201 Y202 A207 E208 G279 A294 M297 | I200-K204 HydrophobicContact CG2-CD 4.26Å; I200-K204 WeakPolarHBondContact O-CG 3.43Å; I200-K204 PolarHBondContact O-N 3.07Å; M201-K204 PolarHBondContact O-N 3.11Å; Y202-K204 VanDerWaalsContact C-N 3.3Å; Y202-K204 PolarHBondContact O-N 2.88Å; K204-A207 WeakPolarHBondContact O-CB 3.23Å; K204-A207 PolarHBondContact O-N 3.13Å; K204-E208 PolarHBondContact O-N 3.03Å; K204-E208 VanDerWaalsContact O-N 3.12Å; K204-G279 WeakPolarHBondContact CG-O 3.49Å; K204-A294 VanDerWaalsContact CD-O 3.3Å; K204-A294 WeakPolarHBondContact CD-O 3.42Å; K204-A294 PolarHBondContact NZ-O 3.23Å; K204-M297 HydrophobicContact CB-SD 4.38Å; K204-M297 PolarHBondContact NZ-SD 3.41Å |
| 205 | L | 98.5 | Very high | 98 | Very high | 8 Ų | 8 | 32 Ų | 32 | 4% | 0.042 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -67.9 | -41.4 | 179 | -172 | 74.7 | 0 | 0 | 0 | 111.9 | M201 Y202 A207 E208 K209 M297 C300 R301 Y304 | M201-L205 PolarHBondContact O-N 2.9Å; Y202-L205 PolarHBondContact O-N 2.78Å; L205-A207 VanDerWaalsContact C-N 3.26Å; L205-A207 PolarHBondContact O-N 2.9Å; L205-E208 WeakPolarHBondContact O-CB 3.5Å; L205-E208 PolarHBondContact O-N 2.92Å; L205-E208 VanDerWaalsContact O-N 3.08Å; L205-K209 WeakPolarHBondContact O-CG 3.41Å; L205-K209 PolarHBondContact O-N 2.96Å; L205-M297 HydrophobicContact CD1-CE 4.01Å; L205-C300 HydrophobicContact CB-CB 4.31Å; L205-R301 HydrophobicContact CD1-CG 3.66Å; L205-Y304 HydrophobicContact CD2-CD1 3.93Å; L205-Y304 HydrophobicContact CD2-CD2 3.74Å; L205-Y304 HydrophobicContact CD2-CG 3.3Å |
| 206 | L | 98.5 | Very high | 98 | Very high | 2 Ų | 2 | 34.7 Ų | 34.7 | 1% | 0.01 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -57.9 | -42.6 | 175.5 | 179.5 | 59.7 | 0 | 0 | 0 | 110.7 | L149 I161 Y202 E208 K209 L210 | L149-L206 HydrophobicContact CD1-CD1 4.16Å; L149-L206 HydrophobicContact CD2-CD1 4.48Å; I161-L206 HydrophobicContact CD1-CD2 3.79Å; Y202-L206 HydrophobicContact CE1-CD2 4.06Å; Y202-L206 VanDerWaalsContact O-CB 3.23Å; Y202-L206 WeakPolarHBondContact O-CB 3.5Å; Y202-L206 PolarHBondContact O-N 3.29Å; L206-E208 VanDerWaalsContact C-N 3.35Å; L206-E208 PolarHBondContact O-N 2.96Å; L206-K209 PolarHBondContact O-N 3.06Å; L206-L210 HydrophobicContact CD1-CD1 4.03Å; L206-L210 HydrophobicContact CD1-CG 4.03Å; L206-L210 HydrophobicContact CD2-CD1 4.48Å; L206-L210 HydrophobicContact CG-CD1 3.78Å; L206-L210 HydrophobicContact CG-CG 4.26Å; L206-L210 WeakPolarHBondContact O-CB 3.26Å; L206-L210 VanDerWaalsContact O-CG 3.22Å; L206-L210 WeakPolarHBondContact O-CG 3.31Å; L206-L210 PolarHBondContact O-N 3.48Å |
| 207 | A | 98.6 | Very high | 98 | Very high | 7 Ų | 7 | 34.7 Ų | 34.7 | 6% | 0.058 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.8 | -39.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | S203 K204 L205 R211 S278 | S203-A207 WeakPolarHBondContact O-CB 3.36Å; S203-A207 PolarHBondContact O-N 2.99Å; K204-A207 WeakPolarHBondContact O-CB 3.23Å; K204-A207 PolarHBondContact O-N 3.13Å; L205-A207 VanDerWaalsContact C-N 3.26Å; L205-A207 PolarHBondContact O-N 2.9Å; A207-R211 WeakPolarHBondContact O-CB 3.45Å; A207-R211 PolarHBondContact O-N 3.06Å; A207-R211 VanDerWaalsContact O-N 3.11Å; A207-S278 WeakPolarHBondContact CB-OG 3.35Å |
| 208 | E | 98.2 | Very high | 98.1 | Very high | 56 Ų | 56 | 35 Ų | 35 | 26% | 0.262 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -61.9 | -47.5 | 173.4 | -177 | -177.4 | 168.5 | 0 | 0 | 111 | K204 L205 L206 R211 V212 M297 R301 | K204-E208 PolarHBondContact O-N 3.03Å; K204-E208 VanDerWaalsContact O-N 3.12Å; L205-E208 WeakPolarHBondContact O-CB 3.5Å; L205-E208 PolarHBondContact O-N 2.92Å; L205-E208 VanDerWaalsContact O-N 3.08Å; L206-E208 VanDerWaalsContact C-N 3.35Å; L206-E208 PolarHBondContact O-N 2.96Å; E208-R211 PolarHBondContact O-N 3.27Å; E208-V212 WeakPolarHBondContact O-CG2 3.4Å; E208-V212 PolarHBondContact O-N 3.15Å; E208-M297 WeakPolarHBondContact OE2-CE 3.44Å; E208-R301 IonicContact OE1-NH2 3.99Å; E208-R301 PolarHBondContact OE1-NH2 3.23Å; E208-R301 VanDerWaalsContact OE1-NH2 3.15Å; E208-R301 IonicContact OE2-NH2 3.71Å |
| 209 | K | 98 | Very high | 98.1 | Very high | 93 Ų | 93 | 35 Ų | 35 | 40% | 0.404 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -61.6 | -47.5 | 179.5 | -69.3 | 179.7 | 66.9 | 77.9 | 0 | 112.4 | L205 L206 R211 V212 S213 Y304 | L205-K209 WeakPolarHBondContact O-CG 3.41Å; L205-K209 PolarHBondContact O-N 2.96Å; L206-K209 PolarHBondContact O-N 3.06Å; K209-R211 VanDerWaalsContact C-N 3.31Å; K209-R211 PolarHBondContact O-N 2.91Å; K209-V212 PolarHBondContact O-N 3.01Å; K209-V212 VanDerWaalsContact O-N 3.15Å; K209-S213 PolarHBondContact O-N 3.22Å; K209-S213 PolarHBondContact O-OG 3.38Å; K209-Y304 HydrophobicContact CD-CE1 4.2Å; K209-Y304 HydrophobicContact CD-CE2 4Å; K209-Y304 WeakPolarHBondContact CE-OH 3.17Å |
| 210 | L | 98.1 | Very high | 98.1 | Very high | 5 Ų | 5 | 35.1 Ų | 35.1 | 3% | 0.026 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.5 | -40.1 | 179 | -70 | 168.8 | 0 | 0 | 0 | 111.8 | L149 L206 S213 G214 S215 V217 | L149-L210 HydrophobicContact CD2-CD2 3.87Å; L206-L210 HydrophobicContact CD1-CD1 4.03Å; L206-L210 HydrophobicContact CD1-CG 4.03Å; L206-L210 HydrophobicContact CD2-CD1 4.48Å; L206-L210 HydrophobicContact CG-CD1 3.78Å; L206-L210 HydrophobicContact CG-CG 4.26Å; L206-L210 WeakPolarHBondContact O-CB 3.26Å; L206-L210 VanDerWaalsContact O-CG 3.22Å; L206-L210 WeakPolarHBondContact O-CG 3.31Å; L206-L210 PolarHBondContact O-N 3.48Å; L210-S213 PolarHBondContact O-N 3.3Å; L210-S213 PolarHBondContact O-OG 2.89Å; L210-S213 VanDerWaalsContact O-OG 3.04Å; L210-G214 PolarHBondContact O-N 3.07Å; L210-S215 WeakPolarHBondContact O-CB 3.42Å; L210-S215 PolarHBondContact O-N 2.73Å; L210-V217 HydrophobicContact CD1-CB 3.96Å; L210-V217 HydrophobicContact CD1-CG1 3.89Å; L210-V217 HydrophobicContact CD2-CB 4.17Å |
| 211 | R | 97.4 | Very high | 98.1 | Very high | 174 Ų | 174 | 35.1 Ų | 35.1 | 66% | 0.657 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -63.9 | -41.1 | 174.7 | -178.1 | -179.1 | 58.2 | 75.5 | 4.3 | 111.9 | A207 E208 K209 S213 G214 | A207-R211 WeakPolarHBondContact O-CB 3.45Å; A207-R211 PolarHBondContact O-N 3.06Å; A207-R211 VanDerWaalsContact O-N 3.11Å; E208-R211 PolarHBondContact O-N 3.27Å; K209-R211 VanDerWaalsContact C-N 3.31Å; K209-R211 PolarHBondContact O-N 2.91Å; R211-S213 VanDerWaalsContact C-N 3.34Å; R211-G214 PolarHBondContact O-N 2.81Å |
| 212 | V | 97.6 | Very high | 98.1 | Very high | 108 Ų | 108 | 35.1 Ų | 35.1 | 66% | 0.655 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -66.5 | -35.8 | 178.6 | 170.3 | 0 | 0 | 0 | 0 | 111.6 | E208 K209 G214 | E208-V212 WeakPolarHBondContact O-CG2 3.4Å; E208-V212 PolarHBondContact O-N 3.15Å; K209-V212 PolarHBondContact O-N 3.01Å; K209-V212 VanDerWaalsContact O-N 3.15Å; V212-G214 VanDerWaalsContact C-N 3.25Å; V212-G214 PolarHBondContact O-N 3.4Å |
| 213 | S | 96.5 | Very high | 97.8 | Very high | 80 Ų | 80 | 35.9 Ų | 35.9 | 56% | 0.559 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | -2.5 | 176 | 63.7 | 0 | 0 | 0 | 0 | 114.4 | K209 L210 R211 S215 | K209-S213 PolarHBondContact O-N 3.22Å; K209-S213 PolarHBondContact O-OG 3.38Å; L210-S213 PolarHBondContact O-N 3.3Å; L210-S213 PolarHBondContact O-OG 2.89Å; L210-S213 VanDerWaalsContact O-OG 3.04Å; R211-S213 VanDerWaalsContact C-N 3.34Å; S213-S215 PolarHBondContact O-N 3.49Å |
| 214 | G | 96.5 | Very high | 97.2 | Very high | 69 Ų | 69 | 36.4 Ų | 36.4 | 71% | 0.711 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 73.3 | 15.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114 | L210 R211 V212 | L210-G214 PolarHBondContact O-N 3.07Å; R211-G214 PolarHBondContact O-N 2.81Å; V212-G214 VanDerWaalsContact C-N 3.25Å; V212-G214 PolarHBondContact O-N 3.4Å |
| 215 | S | 97.2 | Very high | 96.3 | Very high | 25 Ų | 25 | 35.2 Ų | 35.2 | 18% | 0.175 | 21% | 0.206 | C | C | . | . | trans | -69.6 | 139.5 | 179.8 | -172 | 0 | 0 | 0 | 0 | 111.6 | E153 L210 S213 V217 | E153-S215 WeakPolarHBondContact CG-OG 3.33Å; E153-S215 WeakPolarHBondContact OE1-CB 3.43Å; E153-S215 PolarHBondContact OE1-OG 3.14Å; L210-S215 WeakPolarHBondContact O-CB 3.42Å; L210-S215 PolarHBondContact O-N 2.73Å; S213-S215 PolarHBondContact O-N 3.49Å; S215-V217 PolarHBondContact O-N 2.82Å; S215-V217 WeakPolarHBondContact OG-CG2 3.16Å; S215-V217 PolarHBondContact OG-N 2.97Å | ||
| 216 | S | 96.9 | Very high | 95 | Very high | 57 Ų | 57 | 39.7 Ų | 39.7 | 40% | 0.399 | 23% | 0.233 | S | C | . | . | trans | -77.7 | -7.3 | 173.7 | 64.3 | 0 | 0 | 0 | 0 | 112.9 | G157 E158 T218 | G157-S216 PolarHBondContact O-OG 2.91Å; E158-S216 WeakPolarHBondContact CG-O 3.41Å; S216-T218 PolarHBondContact O-N 3.47Å | ||
| 217 | V | 98.7 | Very high | 93.6 | Very high | 5 Ų | 5 | 40.2 Ų | 40.2 | 3% | 0.03 | 24% | 0.237 | C | C | . | . | trans | -69.2 | 132.3 | -177.6 | -176.8 | 0 | 0 | 0 | 0 | 110.2 | L152 E153 A159 I161 L210 S215 | L152-V217 HydrophobicContact CB-CG1 4.35Å; L152-V217 HydrophobicContact CB-CG2 4.03Å; E153-V217 HydrophobicContact CB-CG2 4.44Å; E153-V217 HydrophobicContact CG-CG2 3.7Å; A159-V217 HydrophobicContact CB-CG2 4.24Å; A159-V217 WeakPolarHBondContact O-CA 3.36Å; I161-V217 HydrophobicContact CD1-CG1 3.84Å; I161-V217 HydrophobicContact CG1-CG1 3.98Å; L210-V217 HydrophobicContact CD1-CB 3.96Å; L210-V217 HydrophobicContact CD1-CG1 3.89Å; L210-V217 HydrophobicContact CD2-CB 4.17Å; S215-V217 PolarHBondContact O-N 2.82Å; S215-V217 WeakPolarHBondContact OG-CG2 3.16Å; S215-V217 PolarHBondContact OG-N 2.97Å | ||
| 218 | T | 98.8 | Very high | 92.1 | Very high | 6 Ų | 6 | 43.8 Ų | 43.8 | 4% | 0.037 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 146.8 | 173.3 | 59.5 | 0 | 0 | 0 | 0 | 111.2 | E158 A159 R160 I161 S216 V277 S278 | E158-T218 HydrophobicContact CG-CG2 3.89Å; A159-T218 PolarHBondContact O-N 2.91Å; A159-T218 PolarHBondContact O-OG1 2.78Å; R160-T218 WeakPolarHBondContact CG-OG1 3.48Å; I161-T218 PolarHBondContact N-O 3.12Å; S216-T218 PolarHBondContact O-N 3.47Å; T218-V277 WeakPolarHBondContact CB-O 3.37Å; T218-S278 WeakPolarHBondContact CA-OG 3.47Å |
| 219 | S | 98.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 117.5 | 177.8 | 173.3 | 0 | 0 | 0 | 0 | 109.4 | I161 S203 S278 G279 | I161-S219 WeakPolarHBondContact O-CA 3.1Å; S203-S219 WeakPolarHBondContact CA-OG 3.5Å; S203-S219 PolarHBondContact O-OG 2.96Å; S203-S219 VanDerWaalsContact O-OG 3.11Å; S203-S219 PolarHBondContact OG-O 3.1Å; S203-S219 PolarHBondContact OG-OG 3.47Å; S219-S278 PolarHBondContact N-OG 3.25Å; S219-G279 WeakPolarHBondContact O-CA 3.25Å; S219-G279 PolarHBondContact O-N 2.96Å |
| 220 | N | 98.8 | Very high | 88.8 | Confident | 4 Ų | 4 | 45.8 Ų | 45.8 | 2% | 0.021 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 160.2 | 177.2 | -67 | -69.4 | 0 | 0 | 0 | 111.6 | I161 V162 F163 S203 L268 V277 G279 K280 F282 | I161-N220 PolarHBondContact O-N 3.43Å; V162-N220 WeakPolarHBondContact CA-O 3.49Å; F163-N220 PolarHBondContact N-O 3.46Å; S203-N220 VanDerWaalsContact OG-C 3.22Å; S203-N220 WeakPolarHBondContact OG-CA 3.21Å; S203-N220 PolarHBondContact OG-N 3.09Å; N220-L268 HydrophobicContact CB-CD1 4.23Å; N220-L268 HydrophobicContact CB-CD2 4.38Å; N220-V277 PolarHBondContact ND2-O 3.29Å; N220-G279 PolarHBondContact OD1-N 2.64Å; N220-K280 PolarHBondContact OD1-N 2.98Å; N220-F282 HydrophobicContact CB-CE2 4.46Å |
| 221 | S | 98.7 | Very high | 87.1 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 155.4 | 175.8 | 57.7 | 0 | 0 | 0 | 0 | 110.9 | F163 K280 Y281 F282 | F163-S221 CarbonylContact O-C 3.59Å; F163-S221 WeakPolarHBondContact O-CA 3.39Å; S221-K280 PolarHBondContact N-O 3.42Å; S221-K280 PolarHBondContact OG-O 3.39Å; S221-Y281 CarbonylContact O-C 3.53Å; S221-Y281 WeakPolarHBondContact O-CA 3.37Å; S221-Y281 WeakPolarHBondContact OG-CD2 3.28Å; S221-F282 PolarHBondContact O-N 3.18Å |
| 222 | C | 98 | Very high | 85.4 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 163.8 | 178.6 | 67.3 | 0 | 0 | 0 | 0 | 113.6 | F163 S165 T264 L268 F282 | F163-C222 PolarHBondContact O-N 3.15Å; S165-C222 CarbonylContact C-O 3.55Å; S165-C222 WeakPolarHBondContact CA-O 3.27Å; S165-C222 PolarHBondContact N-O 3.08Å; C222-T264 HydrophobicContact CB-CG2 3.57Å; C222-L268 HydrophobicContact CB-CD1 3.78Å; C222-F282 CarbonylContact C-O 3.43Å; C222-F282 WeakPolarHBondContact CA-O 3.45Å; C222-F282 HydrophobicContact CB-CB 4.12Å; C222-F282 WeakPolarHBondContact CB-O 3.1Å |
| 223 | H | 92.2 | Very high | 84.2 | Confident | 18 Ų | 18 | 40.9 Ų | 40.9 | 8% | 0.083 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 125.9 | 165.7 | 167.5 | 55 | 0 | 0 | 0 | 110.4 | R167 G225 Y281 F282 V283 | R167-H223 PolarHBondContact N-ND1 2.86Å; H223-G225 WeakPolarHBondContact CE1-CA 3.06Å; H223-G225 PolarHBondContact CE1-N 2.95Å; H223-G225 VanDerWaalsContact CE1-N 3.27Å; H223-G225 PolarHBondContact CE1-O 2.87Å; H223-G225 PolarHBondContact ND1-N 3.18Å; H223-G225 WeakPolarHBondContact NE2-CA 3.36Å; H223-G225 PolarHBondContact NE2-N 3.06Å; H223-G225 PolarHBondContact O-N 3.05Å; H223-Y281 HydrophobicContact CB-CE2 4.4Å; H223-Y281 VanDerWaalsContact CB-OH 3.26Å; H223-Y281 WeakPolarHBondContact CB-OH 3.27Å; H223-F282 PolarHBondContact N-O 3.12Å; H223-V283 HydrophobicContact CB-CG2 4.31Å |
| 224 | P | 86.8 | Confident | 82.5 | Confident | 11 Ų | 11 | 40.6 Ų | 40.6 | 7% | 0.071 | 23% | 0.225 | C | C | . | . | trans | -75.7 | -10.7 | -178.5 | 29.8 | -35.2 | 0 | 0 | 0 | 113.6 | I39 V164 S165 K256 G261 | I39-P224 HydrophobicContact CD1-CB 3.64Å; I39-P224 HydrophobicContact CD1-CG 3.77Å; V164-P224 HydrophobicContact CG1-CB 4.38Å; V164-P224 HydrophobicContact CG1-CG 3.79Å; S165-P224 WeakPolarHBondContact O-CD 3.39Å; P224-K256 WeakPolarHBondContact O-CD 3.38Å; P224-K256 PolarHBondContact O-NZ 3.12Å; P224-G261 VanDerWaalsContact CB-O 3.3Å; P224-G261 WeakPolarHBondContact CB-O 3.31Å | ||
| 225 | G | 78.9 | Confident | 80.8 | Confident | 12 Ų | 12 | 38 Ų | 38 | 12% | 0.124 | 20% | 0.197 | C | C | . | . | trans | 92.5 | 174.9 | -163.9 | 0 | 0 | 0 | 0 | 0 | 112 | H223 C227 | H223-G225 WeakPolarHBondContact CE1-CA 3.06Å; H223-G225 PolarHBondContact CE1-N 2.95Å; H223-G225 VanDerWaalsContact CE1-N 3.27Å; H223-G225 PolarHBondContact CE1-O 2.87Å; H223-G225 PolarHBondContact ND1-N 3.18Å; H223-G225 WeakPolarHBondContact NE2-CA 3.36Å; H223-G225 PolarHBondContact NE2-N 3.06Å; H223-G225 PolarHBondContact O-N 3.05Å; G225-C227 PolarHBondContact O-N 2.82Å; G225-C227 VanDerWaalsContact O-N 3.13Å; G225-C227 PolarHBondContact O-SG 2.88Å; G225-C227 VanDerWaalsContact O-SG 3.39Å | ||
| 226 | V | 72.5 | Confident | 78.8 | Confident | 101 Ų | 101 | 40 Ų | 40 | 61% | 0.612 | 21% | 0.21 | S | C | * | . | S | Bend | trans | -79.6 | 96.5 | 177.3 | -163.3 | 0 | 0 | 0 | 0 | 108.6 | L255 K256 | V226-L255 HydrophobicContact CB-CD2 4.08Å; V226-L255 HydrophobicContact CG1-CD2 3.51Å; V226-L255 WeakPolarHBondContact O-CA 3.22Å; V226-K256 PolarHBondContact O-N 3.25Å |
| 227 | C | 68.7 | Low | 76.9 | Confident | 13 Ų | 13 | 44.8 Ų | 44.8 | 9% | 0.088 | 23% | 0.23 | C | C | . | . | B | Isolated β-bridge | trans | -100.5 | 134.7 | -172.1 | -57.8 | 0 | 0 | 0 | 0 | 112 | I39 G225 T229 K256 G261 | I39-C227 HydrophobicContact CD1-CB 4.09Å; G225-C227 PolarHBondContact O-N 2.82Å; G225-C227 VanDerWaalsContact O-N 3.13Å; G225-C227 PolarHBondContact O-SG 2.88Å; G225-C227 VanDerWaalsContact O-SG 3.39Å; C227-T229 HydrophobicContact CB-CG2 3.86Å; C227-T229 PolarHBondContact O-N 3.47Å; C227-K256 CarbonylContact C-O 3.59Å; C227-K256 VanDerWaalsContact CA-O 3.29Å; C227-K256 WeakPolarHBondContact CA-O 3.25Å; C227-K256 HydrophobicContact CB-CB 4.31Å; C227-G261 VanDerWaalsContact SG-CA 3.5Å |
| 228 | N | 67.3 | Low | 74.9 | Confident | 82 Ų | 82 | 46.7 Ų | 46.7 | 44% | 0.439 | 24% | 0.242 | S | C | . | . | trans | -72.1 | 93 | 171.5 | -169.7 | 1.6 | 0 | 0 | 0 | 109.6 | L255 K256 | N228-L255 HydrophobicContact CB-CB 3.88Å; N228-L255 HydrophobicContact CB-CD1 3.88Å; N228-K256 PolarHBondContact N-O 3.1Å | ||
| 229 | T | 62.3 | Low | 72.8 | Confident | 24 Ų | 24 | 51.4 Ų | 51.4 | 15% | 0.147 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -134.7 | 170.4 | 179.9 | 68.2 | 0 | 0 | 0 | 0 | 109.8 | I39 C227 I231 T232 P258 | I39-T229 HydrophobicContact CD1-CG2 4.49Å; I39-T229 HydrophobicContact CG1-CG2 4.23Å; C227-T229 HydrophobicContact CB-CG2 3.86Å; C227-T229 PolarHBondContact O-N 3.47Å; T229-I231 PolarHBondContact O-N 3.45Å; T229-I231 WeakPolarHBondContact OG1-CB 3.43Å; T229-I231 WeakPolarHBondContact OG1-CG2 3.43Å; T229-I231 PolarHBondContact OG1-N 3.44Å; T229-T232 PolarHBondContact O-N 3.16Å; T229-T232 PolarHBondContact O-OG1 3.16Å; T229-P258 HydrophobicContact CG2-CG 4.2Å |
| 230 | R | 64.1 | Low | 71.1 | Confident | 168 Ų | 168 | 55.2 Ų | 55.2 | 63% | 0.634 | 29% | 0.29 | S | S | * | . | G | 310 helix | trans | -64.9 | 3.8 | 174.6 | -66.1 | -177.5 | 177.6 | -122.8 | 4.2 | 114.1 | T232 R233 | R230-T232 PolarHBondContact O-N 3.1Å; R230-R233 WeakPolarHBondContact O-CB 3.41Å; R230-R233 PolarHBondContact O-N 2.93Å; R230-R233 PolarHBondContact O-NE 2.8Å |
| 231 | I | 61.9 | Low | 69.5 | Low | 44 Ų | 44 | 64 Ų | 64 | 23% | 0.226 | 33% | 0.328 | C | S | . | . | G | 310 helix | trans | -63.9 | -28.8 | 175.7 | -157.8 | 167.7 | 0 | 0 | 0 | 111.7 | M118 T229 R233 | M118-I231 HydrophobicContact CB-CD1 4.18Å; M118-I231 HydrophobicContact CB-CG1 3.62Å; M118-I231 HydrophobicContact CE-CG2 4.18Å; M118-I231 HydrophobicContact SD-CG1 4.47Å; T229-I231 PolarHBondContact O-N 3.45Å; T229-I231 WeakPolarHBondContact OG1-CB 3.43Å; T229-I231 WeakPolarHBondContact OG1-CG2 3.43Å; T229-I231 PolarHBondContact OG1-N 3.44Å; I231-R233 PolarHBondContact O-N 3.42Å |
| 232 | T | 63.4 | Low | 68.1 | Low | 51 Ų | 51 | 70 Ų | 70 | 31% | 0.313 | 36% | 0.359 | S | S | . | . | G | 310 helix | trans | -75.8 | 1.7 | 178.8 | 56.2 | 0 | 0 | 0 | 0 | 114 | M118 T229 R230 Y234 A235 | M118-T232 HydrophobicContact CE-CG2 3.94Å; T229-T232 PolarHBondContact O-N 3.16Å; T229-T232 PolarHBondContact O-OG1 3.16Å; R230-T232 PolarHBondContact O-N 3.1Å; T232-Y234 PolarHBondContact O-N 3.47Å; T232-A235 WeakPolarHBondContact O-CB 3.34Å; T232-A235 PolarHBondContact O-N 3.21Å |
| 233 | R | 70.6 | Confident | 66.6 | Low | 88 Ų | 88 | 72.3 Ų | 72.3 | 33% | 0.332 | 37% | 0.373 | S | S | . | . | G | 310 helix | trans | -59.3 | -20.7 | -173.8 | 78.1 | -173 | 94.3 | 172.4 | 13.7 | 114.9 | R230 I231 N239 | R230-R233 WeakPolarHBondContact O-CB 3.41Å; R230-R233 PolarHBondContact O-N 2.93Å; R230-R233 PolarHBondContact O-NE 2.8Å; I231-R233 PolarHBondContact O-N 3.42Å; R233-N239 PolarHBondContact O-ND2 3.23Å |
| 234 | Y | 62 | Low | 65.3 | Low | 74 Ų | 74 | 75.9 Ų | 75.9 | 29% | 0.29 | 39% | 0.39 | S | S | . | . | G | 310 helix | trans | -110.3 | 3.4 | 176.4 | -57.3 | -63.3 | 0 | 0 | 0 | 113.3 | F119 Y120 P121 T232 | F119-Y234 WeakPolarHBondContact O-CB 3.49Å; Y120-Y234 HydrophobicContact CD2-CD2 4.27Å; Y120-Y234 AromaticContact CD2-CE2 3.98Å; Y120-Y234 HydrophobicContact CD2-CE2 3.98Å; Y120-Y234 HydrophobicContact CE2-CE2 4.18Å; P121-Y234 HydrophobicContact CG-CD1 4.03Å; P121-Y234 HydrophobicContact CG-CE1 4.36Å; T232-Y234 PolarHBondContact O-N 3.47Å |
| 235 | A | 60.1 | Low | 64.3 | Low | 15 Ų | 15 | 78.5 Ų | 78.5 | 12% | 0.124 | 41% | 0.413 | C | S | . | . | S | Bend | trans | -67.8 | 140.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | F119 T232 V238 | F119-A235 HydrophobicContact CD2-CB 4.06Å; T232-A235 WeakPolarHBondContact O-CB 3.34Å; T232-A235 PolarHBondContact O-N 3.21Å; A235-V238 HydrophobicContact CB-CG2 3.5Å; A235-V238 VanDerWaalsContact CB-CG2 3.5Å; A235-V238 WeakPolarHBondContact O-CG2 3.47Å |
| 236 | P | 55 | Low | 63.8 | Low | 68 Ų | 68 | 83 Ų | 83 | 44% | 0.442 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | 145.4 | 176.4 | -20.9 | 31.5 | 0 | 0 | 0 | 111.5 | V238 | P236-V238 VanDerWaalsContact C-N 3.26Å; P236-V238 WeakPolarHBondContact O-CG2 3.36Å; P236-V238 PolarHBondContact O-N 3.11Å |
| 237 | L | 57.4 | Low | 63.5 | Low | 156 Ų | 156 | 80.7 Ų | 80.7 | 82% | 0.817 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.3 | -12.9 | 171.4 | -62.1 | 140.4 | 0 | 0 | 0 | 118.3 | N239 V243 | L237-N239 PolarHBondContact O-N 3.27Å; L237-V243 WeakPolarHBondContact O-CG1 3.37Å |
| 238 | V | 56.3 | Low | 63.4 | Low | 46 Ų | 46 | 82.4 Ų | 82.4 | 28% | 0.279 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | 0.5 | -176.8 | -113.6 | 0 | 0 | 0 | 0 | 115.7 | A235 P236 Q244 | A235-V238 HydrophobicContact CB-CG2 3.5Å; A235-V238 VanDerWaalsContact CB-CG2 3.5Å; A235-V238 WeakPolarHBondContact O-CG2 3.47Å; P236-V238 VanDerWaalsContact C-N 3.26Å; P236-V238 WeakPolarHBondContact O-CG2 3.36Å; P236-V238 PolarHBondContact O-N 3.11Å; V238-Q244 WeakPolarHBondContact O-CG 3.43Å; V238-Q244 PolarHBondContact O-NE2 3.33Å |
| 239 | N | 55 | Low | 63.3 | Low | 104 Ų | 104 | 82.3 Ų | 82.3 | 56% | 0.556 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.6 | 2.5 | -171.8 | -85 | -17 | 0 | 0 | 0 | 115.9 | R233 L237 | R233-N239 PolarHBondContact O-ND2 3.23Å; L237-N239 PolarHBondContact O-N 3.27Å |
| 240 | T | 63 | Low | 63.2 | Low | 81 Ų | 81 | 87.5 Ų | 87.5 | 50% | 0.497 | 46% | 0.459 | S | S | . | . | S | Bend | trans | -87.7 | 135 | 170.2 | 61.6 | 0 | 0 | 0 | 0 | 109.9 | L242 V243 Q244 | T240-L242 PolarHBondContact O-N 2.91Å; T240-L242 VanDerWaalsContact O-N 3.14Å; T240-V243 PolarHBondContact O-N 3.03Å; T240-V243 VanDerWaalsContact O-N 3.13Å; T240-V243 WeakPolarHBondContact OG1-CB 3.3Å; T240-V243 WeakPolarHBondContact OG1-CG2 3.35Å; T240-Q244 PolarHBondContact O-N 3.08Å |
| 241 | K | 66.3 | Low | 63 | Low | 189 Ų | 189 | 80.4 Ų | 80.4 | 82% | 0.822 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -54 | -35.8 | -179.1 | -74.2 | -173.9 | 177.4 | 178.9 | 0 | 112.4 | Q244 A245 | K241-Q244 PolarHBondContact O-N 2.91Å; K241-A245 WeakPolarHBondContact O-CB 3.46Å; K241-A245 PolarHBondContact O-N 3.12Å |
| 242 | L | 69.2 | Low | 63.2 | Low | 124 Ų | 124 | 85.5 Ų | 85.5 | 65% | 0.649 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -65.3 | -48.6 | 178.5 | -176.8 | 62.5 | 0 | 0 | 0 | 112.1 | T240 Q244 A245 I246 | T240-L242 PolarHBondContact O-N 2.91Å; T240-L242 VanDerWaalsContact O-N 3.14Å; L242-Q244 VanDerWaalsContact C-N 3.29Å; L242-Q244 PolarHBondContact O-N 3.12Å; L242-A245 PolarHBondContact O-N 3.32Å; L242-I246 HydrophobicContact CD1-CD1 4Å; L242-I246 HydrophobicContact CD1-CG1 4.49Å; L242-I246 HydrophobicContact CG-CD1 3.96Å; L242-I246 WeakPolarHBondContact O-CG1 3.49Å; L242-I246 PolarHBondContact O-N 3.07Å |
| 243 | V | 64.8 | Low | 62.8 | Low | 49 Ų | 49 | 85.4 Ų | 85.4 | 30% | 0.297 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -64.2 | -38.4 | 176.9 | 173.4 | 0 | 0 | 0 | 0 | 110.5 | L237 T240 I246 T247 | L237-V243 WeakPolarHBondContact O-CG1 3.37Å; T240-V243 PolarHBondContact O-N 3.03Å; T240-V243 VanDerWaalsContact O-N 3.13Å; T240-V243 WeakPolarHBondContact OG1-CB 3.3Å; T240-V243 WeakPolarHBondContact OG1-CG2 3.35Å; V243-I246 PolarHBondContact O-N 3.47Å; V243-T247 HydrophobicContact CG1-CG2 4.08Å; V243-T247 WeakPolarHBondContact O-CB 3.47Å; V243-T247 VanDerWaalsContact O-CG2 3.31Å; V243-T247 WeakPolarHBondContact O-CG2 3.5Å; V243-T247 PolarHBondContact O-N 2.77Å; V243-T247 PolarHBondContact O-OG1 3.35Å |
| 244 | Q | 65.1 | Low | 62.3 | Low | 93 Ų | 93 | 86 Ų | 86 | 44% | 0.435 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -62.3 | -43.7 | 175 | -70.1 | -178.1 | 5.9 | 0 | 0 | 112.1 | V238 T240 K241 L242 T247 A248 | V238-Q244 WeakPolarHBondContact O-CG 3.43Å; V238-Q244 PolarHBondContact O-NE2 3.33Å; T240-Q244 PolarHBondContact O-N 3.08Å; K241-Q244 PolarHBondContact O-N 2.91Å; L242-Q244 VanDerWaalsContact C-N 3.29Å; L242-Q244 PolarHBondContact O-N 3.12Å; Q244-T247 PolarHBondContact O-N 3.38Å; Q244-A248 WeakPolarHBondContact O-CA 3.17Å; Q244-A248 WeakPolarHBondContact O-CB 3.39Å; Q244-A248 PolarHBondContact O-N 2.96Å |
| 245 | A | 67.1 | Low | 62.8 | Low | 66 Ų | 66 | 84.9 Ų | 84.9 | 55% | 0.545 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -64.2 | -43.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112 | K241 L242 | K241-A245 WeakPolarHBondContact O-CB 3.46Å; K241-A245 PolarHBondContact O-N 3.12Å; L242-A245 PolarHBondContact O-N 3.32Å |
| 246 | I | 68.3 | Low | 63.7 | Low | 106 Ų | 106 | 84.8 Ų | 84.8 | 54% | 0.544 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -68 | -40.9 | 179.8 | -66.3 | 167.4 | 0 | 0 | 0 | 111.2 | L242 V243 P249 | L242-I246 HydrophobicContact CD1-CD1 4Å; L242-I246 HydrophobicContact CD1-CG1 4.49Å; L242-I246 HydrophobicContact CG-CD1 3.96Å; L242-I246 WeakPolarHBondContact O-CG1 3.49Å; L242-I246 PolarHBondContact O-N 3.07Å; V243-I246 PolarHBondContact O-N 3.47Å; I246-P249 WeakPolarHBondContact O-CD 3.4Å |
| 247 | T | 65.7 | Low | 65.1 | Low | 53 Ų | 53 | 83.7 Ų | 83.7 | 33% | 0.325 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -84.9 | -13.8 | -177.5 | 60.3 | 0 | 0 | 0 | 0 | 113 | V243 Q244 F250 A251 | V243-T247 HydrophobicContact CG1-CG2 4.08Å; V243-T247 WeakPolarHBondContact O-CB 3.47Å; V243-T247 VanDerWaalsContact O-CG2 3.31Å; V243-T247 WeakPolarHBondContact O-CG2 3.5Å; V243-T247 PolarHBondContact O-N 2.77Å; V243-T247 PolarHBondContact O-OG1 3.35Å; Q244-T247 PolarHBondContact O-N 3.38Å; T247-F250 PolarHBondContact O-N 3.43Å; T247-F250 VanDerWaalsContact O-N 3.15Å; T247-A251 VanDerWaalsContact O-CB 3.28Å; T247-A251 WeakPolarHBondContact O-CB 3.4Å; T247-A251 PolarHBondContact O-N 2.99Å |
| 248 | A | 66.1 | Low | 66.4 | Low | 50 Ų | 50 | 78 Ų | 78 | 41% | 0.413 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -55.5 | -43.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q244 A251 W252 | Q244-A248 WeakPolarHBondContact O-CA 3.17Å; Q244-A248 WeakPolarHBondContact O-CB 3.39Å; Q244-A248 PolarHBondContact O-N 2.96Å; A248-A251 PolarHBondContact O-N 3.32Å; A248-W252 WeakPolarHBondContact O-CB 3.32Å; A248-W252 PolarHBondContact O-N 2.88Å |
| 249 | P | 65.5 | Low | 68.1 | Low | 80 Ų | 80 | 80.8 Ų | 80.8 | 52% | 0.519 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -64.5 | -40.9 | 177 | -20.5 | 32.8 | 0 | 0 | 0 | 112.1 | I246 W252 F253 | I246-P249 WeakPolarHBondContact O-CD 3.4Å; P249-W252 PolarHBondContact O-N 3.22Å; P249-F253 WeakPolarHBondContact O-CB 3.41Å; P249-F253 PolarHBondContact O-N 2.72Å |
| 250 | F | 59.7 | Low | 69.8 | Low | 132 Ų | 132 | 76.3 Ų | 76.3 | 58% | 0.579 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -68.7 | -45.8 | 177.5 | -64.1 | -84.1 | 0 | 0 | 0 | 111.3 | T247 W252 F253 F254 | T247-F250 PolarHBondContact O-N 3.43Å; T247-F250 VanDerWaalsContact O-N 3.15Å; F250-W252 VanDerWaalsContact C-N 3.3Å; F250-W252 PolarHBondContact O-N 3.09Å; F250-F253 PolarHBondContact O-N 2.87Å; F250-F253 VanDerWaalsContact O-N 3.15Å; F250-F254 HydrophobicContact CB-CD2 4.34Å; F250-F254 HydrophobicContact CD1-CE2 4.09Å; F250-F254 WeakPolarHBondContact O-CB 3.26Å; F250-F254 VanDerWaalsContact O-CD2 3.3Å; F250-F254 WeakPolarHBondContact O-CD2 3.32Å; F250-F254 PolarHBondContact O-N 2.96Å |
| 251 | A | 61.4 | Low | 71.2 | Confident | 20 Ų | 20 | 72.4 Ų | 72.4 | 17% | 0.165 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -59 | -44 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | T247 A248 F253 L255 | T247-A251 VanDerWaalsContact O-CB 3.28Å; T247-A251 WeakPolarHBondContact O-CB 3.4Å; T247-A251 PolarHBondContact O-N 2.99Å; A248-A251 PolarHBondContact O-N 3.32Å; A251-F253 PolarHBondContact O-N 3.25Å; A251-L255 HydrophobicContact CB-CD1 3.84Å; A251-L255 HydrophobicContact CB-CG 4.36Å; A251-L255 WeakPolarHBondContact O-CA 3.41Å; A251-L255 WeakPolarHBondContact O-CB 3.3Å; A251-L255 VanDerWaalsContact O-CG 3.31Å; A251-L255 WeakPolarHBondContact O-CG 3.45Å; A251-L255 PolarHBondContact O-N 2.86Å |
| 252 | W | 65.2 | Low | 72.6 | Confident | 151 Ų | 151 | 63.5 Ų | 63.5 | 57% | 0.572 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -61.8 | -43.1 | 175 | 175.4 | 86.6 | 0 | 0 | 0 | 111.7 | R11 A248 P249 F250 | R11-W252 VanDerWaalsContact CZ-CZ2 3.44Å; R11-W252 VanDerWaalsContact NH1-CE3 3.32Å; R11-W252 PolarHBondContact NH1-O 3.43Å; A248-W252 WeakPolarHBondContact O-CB 3.32Å; A248-W252 PolarHBondContact O-N 2.88Å; P249-W252 PolarHBondContact O-N 3.22Å; F250-W252 VanDerWaalsContact C-N 3.3Å; F250-W252 PolarHBondContact O-N 3.09Å |
| 253 | F | 54.3 | Low | 73.9 | Confident | 49 Ų | 49 | 58.2 Ų | 58.2 | 22% | 0.215 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -73.6 | -43.1 | -175.9 | -169 | -96.7 | 0 | 0 | 0 | 113.2 | F10 F14 P249 F250 A251 | F10-F253 HydrophobicContact CB-CZ 4.2Å; F14-F253 HydrophobicContact CE2-CE1 4.23Å; P249-F253 WeakPolarHBondContact O-CB 3.41Å; P249-F253 PolarHBondContact O-N 2.72Å; F250-F253 PolarHBondContact O-N 2.87Å; F250-F253 VanDerWaalsContact O-N 3.15Å; A251-F253 PolarHBondContact O-N 3.25Å |
| 254 | F | 61.8 | Low | 75.4 | Confident | 101 Ų | 101 | 56 Ų | 56 | 44% | 0.443 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -97.3 | -26 | -172.4 | -69.3 | -72 | 0 | 0 | 0 | 114.3 | F14 F250 | F14-F254 HydrophobicContact CD1-CD1 4.3Å; F14-F254 HydrophobicContact CD2-CD1 4.48Å; F14-F254 AromaticContact CE1-CD1 3.78Å; F14-F254 HydrophobicContact CE1-CD1 3.78Å; F14-F254 HydrophobicContact CE1-CE1 4.32Å; F14-F254 AromaticContact CE2-CD1 3.97Å; F14-F254 HydrophobicContact CE2-CD1 3.97Å; F14-F254 HydrophobicContact CE2-CE1 4.04Å; F14-F254 AromaticContact CZ-CD1 3.61Å; F14-F254 HydrophobicContact CZ-CD1 3.61Å; F14-F254 AromaticContact CZ-CE1 3.71Å; F14-F254 HydrophobicContact CZ-CE1 3.71Å; F250-F254 HydrophobicContact CB-CD2 4.34Å; F250-F254 HydrophobicContact CD1-CE2 4.09Å; F250-F254 WeakPolarHBondContact O-CB 3.26Å; F250-F254 VanDerWaalsContact O-CD2 3.3Å; F250-F254 WeakPolarHBondContact O-CD2 3.32Å; F250-F254 PolarHBondContact O-N 2.96Å |
| 255 | L | 72 | Confident | 77 | Confident | 49 Ų | 49 | 51.6 Ų | 51.6 | 26% | 0.257 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -92.3 | 139.1 | -180 | -51 | 179.9 | 0 | 0 | 0 | 111 | V226 N228 A251 | V226-L255 HydrophobicContact CB-CD2 4.08Å; V226-L255 HydrophobicContact CG1-CD2 3.51Å; V226-L255 WeakPolarHBondContact O-CA 3.22Å; N228-L255 HydrophobicContact CB-CB 3.88Å; N228-L255 HydrophobicContact CB-CD1 3.88Å; A251-L255 HydrophobicContact CB-CD1 3.84Å; A251-L255 HydrophobicContact CB-CG 4.36Å; A251-L255 WeakPolarHBondContact O-CA 3.41Å; A251-L255 WeakPolarHBondContact O-CB 3.3Å; A251-L255 VanDerWaalsContact O-CG 3.31Å; A251-L255 WeakPolarHBondContact O-CG 3.45Å; A251-L255 PolarHBondContact O-N 2.86Å |
| 256 | K | 77.8 | Confident | 78.5 | Confident | 13 Ų | 13 | 48.6 Ų | 48.6 | 6% | 0.057 | 25% | 0.248 | C | C | . | . | B | Isolated β-bridge | trans | -61.6 | 144.8 | 171.5 | -76.1 | -164.9 | -177.1 | -163.6 | 0 | 111.2 | F14 K15 P224 V226 C227 N228 D260 N284 | F14-K256 WeakPolarHBondContact O-CE 3.48Å; F14-K256 WeakPolarHBondContact O-CG 3.22Å; K15-K256 WeakPolarHBondContact O-CD 3.23Å; K15-K256 WeakPolarHBondContact O-CE 3.4Å; K15-K256 PolarHBondContact O-NZ 3.23Å; P224-K256 WeakPolarHBondContact O-CD 3.38Å; P224-K256 PolarHBondContact O-NZ 3.12Å; V226-K256 PolarHBondContact O-N 3.25Å; C227-K256 CarbonylContact C-O 3.59Å; C227-K256 VanDerWaalsContact CA-O 3.29Å; C227-K256 WeakPolarHBondContact CA-O 3.25Å; C227-K256 HydrophobicContact CB-CB 4.31Å; N228-K256 PolarHBondContact N-O 3.1Å; K256-D260 HydrophobicContact CB-CB 3.92Å; K256-D260 HydrophobicContact CD-CB 4.02Å; K256-D260 HydrophobicContact CG-CB 4.12Å; K256-N284 PolarHBondContact NZ-OD1 2.59Å |
| 257 | T | 84.1 | Confident | 79.9 | Confident | 46 Ų | 46 | 44.5 Ų | 44.5 | 28% | 0.282 | 23% | 0.226 | S | C | . | . | P | Polyproline II helix | trans | -70.7 | 160.2 | 166.9 | 69.8 | 0 | 0 | 0 | 0 | 109.8 | K259 D260 G261 | T257-K259 PolarHBondContact O-N 2.89Å; T257-K259 PolarHBondContact OG1-N 3.37Å; T257-D260 WeakPolarHBondContact CB-OD2 3.35Å; T257-D260 WeakPolarHBondContact CG2-OD2 3.41Å; T257-D260 PolarHBondContact N-OD2 3.23Å; T257-D260 WeakPolarHBondContact O-CB 3.3Å; T257-D260 PolarHBondContact O-N 3.38Å; T257-D260 VanDerWaalsContact O-N 3.08Å; T257-D260 PolarHBondContact OG1-N 2.81Å; T257-D260 VanDerWaalsContact OG1-N 3.15Å; T257-D260 PolarHBondContact OG1-OD2 3.5Å; T257-G261 PolarHBondContact O-N 3.49Å |
| 258 | P | 85.9 | Confident | 81.5 | Confident | 36 Ų | 36 | 42.1 Ų | 42.1 | 23% | 0.234 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -55.2 | -31.9 | 170.3 | -25.8 | 33.7 | 0 | 0 | 0 | 113.7 | Q42 T229 G261 A262 | Q42-P258 HydrophobicContact CG-CB 3.94Å; T229-P258 HydrophobicContact CG2-CG 4.2Å; P258-G261 PolarHBondContact O-N 3.24Å; P258-A262 PolarHBondContact O-N 3.22Å |
| 259 | K | 91.3 | Very high | 83 | Confident | 105 Ų | 105 | 40 Ų | 40 | 46% | 0.457 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -65.8 | -44.1 | 176.1 | -177.2 | -178.8 | 177.5 | -178.9 | 0 | 110.8 | Q42 T257 G261 A262 Q263 | Q42-K259 HydrophobicContact CG-CB 4.39Å; T257-K259 PolarHBondContact O-N 2.89Å; T257-K259 PolarHBondContact OG1-N 3.37Å; K259-G261 VanDerWaalsContact C-N 3.31Å; K259-G261 PolarHBondContact O-N 2.89Å; K259-A262 PolarHBondContact O-N 3.08Å; K259-Q263 WeakPolarHBondContact O-CG 3.4Å; K259-Q263 PolarHBondContact O-NE2 3.01Å |
| 260 | D | 91.3 | Very high | 84.6 | Confident | 9 Ų | 9 | 36.8 Ų | 36.8 | 5% | 0.048 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.8 | -37.9 | 175.8 | -58.2 | -47.3 | 0 | 0 | 0 | 111.6 | Q18 K256 T257 A262 Q263 | Q18-D260 PolarHBondContact NE2-OD1 3.34Å; K256-D260 HydrophobicContact CB-CB 3.92Å; K256-D260 HydrophobicContact CD-CB 4.02Å; K256-D260 HydrophobicContact CG-CB 4.12Å; T257-D260 WeakPolarHBondContact CB-OD2 3.35Å; T257-D260 WeakPolarHBondContact CG2-OD2 3.41Å; T257-D260 PolarHBondContact N-OD2 3.23Å; T257-D260 WeakPolarHBondContact O-CB 3.3Å; T257-D260 PolarHBondContact O-N 3.38Å; T257-D260 VanDerWaalsContact O-N 3.08Å; T257-D260 PolarHBondContact OG1-N 2.81Å; T257-D260 VanDerWaalsContact OG1-N 3.15Å; T257-D260 PolarHBondContact OG1-OD2 3.5Å; D260-A262 VanDerWaalsContact C-N 3.32Å; D260-A262 PolarHBondContact O-N 2.86Å; D260-Q263 WeakPolarHBondContact O-CG 3.5Å; D260-Q263 PolarHBondContact O-N 2.86Å |
| 261 | G | 92.1 | Very high | 86.4 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -67.1 | -29.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | P224 C227 T257 P258 K259 Q263 P265 | P224-G261 VanDerWaalsContact CB-O 3.3Å; P224-G261 WeakPolarHBondContact CB-O 3.31Å; C227-G261 VanDerWaalsContact SG-CA 3.5Å; T257-G261 PolarHBondContact O-N 3.49Å; P258-G261 PolarHBondContact O-N 3.24Å; K259-G261 VanDerWaalsContact C-N 3.31Å; K259-G261 PolarHBondContact O-N 2.89Å; G261-Q263 VanDerWaalsContact C-N 3.27Å; G261-Q263 PolarHBondContact O-N 3.02Å; G261-P265 WeakPolarHBondContact O-CD 3.46Å |
| 262 | A | 95.8 | Very high | 88 | Confident | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.008 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -72.9 | -16.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | I39 Q42 I43 P258 K259 D260 T264 P265 L266 | I39-A262 HydrophobicContact CG2-CB 4.24Å; Q42-A262 HydrophobicContact CB-CB 3.78Å; I43-A262 HydrophobicContact CG1-CB 3.67Å; P258-A262 PolarHBondContact O-N 3.22Å; K259-A262 PolarHBondContact O-N 3.08Å; D260-A262 VanDerWaalsContact C-N 3.32Å; D260-A262 PolarHBondContact O-N 2.86Å; A262-T264 PolarHBondContact O-N 3.06Å; A262-P265 WeakPolarHBondContact O-CD 3.47Å; A262-L266 HydrophobicContact CB-CD1 3.94Å; A262-L266 WeakPolarHBondContact O-CB 3.17Å; A262-L266 WeakPolarHBondContact O-CD1 3.31Å; A262-L266 VanDerWaalsContact O-CG 3.23Å; A262-L266 WeakPolarHBondContact O-CG 3.37Å; A262-L266 PolarHBondContact O-N 3.1Å |
| 263 | Q | 96.5 | Very high | 89.5 | Confident | 14 Ų | 14 | 37.1 Ų | 37.1 | 7% | 0.065 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -65 | -42.9 | -170.1 | -59.2 | -56.5 | -57.7 | 0 | 0 | 113.4 | K259 D260 G261 L266 Y267 | K259-Q263 WeakPolarHBondContact O-CG 3.4Å; K259-Q263 PolarHBondContact O-NE2 3.01Å; D260-Q263 WeakPolarHBondContact O-CG 3.5Å; D260-Q263 PolarHBondContact O-N 2.86Å; G261-Q263 VanDerWaalsContact C-N 3.27Å; G261-Q263 PolarHBondContact O-N 3.02Å; Q263-L266 PolarHBondContact O-N 3.06Å; Q263-Y267 WeakPolarHBondContact O-CB 3.23Å; Q263-Y267 PolarHBondContact O-N 3.4Å |
| 264 | T | 96.8 | Very high | 91.6 | Very high | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.012 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -69.7 | -44.8 | 179.2 | -56.7 | 0 | 0 | 0 | 0 | 112.1 | C222 A262 L266 Y267 L268 F282 N284 M285 | C222-T264 HydrophobicContact CB-CG2 3.57Å; A262-T264 PolarHBondContact O-N 3.06Å; T264-L266 VanDerWaalsContact C-N 3.35Å; T264-L266 PolarHBondContact O-N 3.31Å; T264-Y267 PolarHBondContact O-N 2.96Å; T264-L268 HydrophobicContact CG2-CD1 4.44Å; T264-L268 WeakPolarHBondContact O-CG 3.17Å; T264-L268 PolarHBondContact O-N 3.49Å; T264-F282 HydrophobicContact CG2-CB 3.83Å; T264-N284 PolarHBondContact OG1-N 3.33Å; T264-M285 PolarHBondContact OG1-N 2.68Å |
| 265 | P | 98 | Very high | 93.3 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -55.4 | -45.3 | 169.6 | -28.2 | 34.2 | 0 | 0 | 0 | 113.7 | I43 V162 V164 G261 A262 Y267 L268 L269 | I43-P265 HydrophobicContact CD1-CB 3.51Å; I43-P265 HydrophobicContact CD1-CG 3.92Å; I43-P265 HydrophobicContact CG1-CB 4.21Å; V162-P265 HydrophobicContact CG1-CB 4.31Å; V164-P265 HydrophobicContact CG2-CG 4.09Å; G261-P265 WeakPolarHBondContact O-CD 3.46Å; A262-P265 WeakPolarHBondContact O-CD 3.47Å; P265-Y267 PolarHBondContact O-N 3.09Å; P265-L268 PolarHBondContact O-N 3.19Å; P265-L269 VanDerWaalsContact O-CG 3.27Å; P265-L269 WeakPolarHBondContact O-CG 3.44Å; P265-L269 PolarHBondContact O-N 2.9Å |
| 266 | L | 98.4 | Very high | 94.5 | Very high | 3 Ų | 3 | 33.9 Ų | 33.9 | 2% | 0.016 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.6 | -42.4 | 179.3 | -74.6 | 163.6 | 0 | 0 | 0 | 112.5 | Y19 I43 E46 L47 A262 Q263 T264 L268 L269 L270 | Y19-L266 HydrophobicContact CD1-CB 4.09Å; I43-L266 HydrophobicContact CG1-CG 4.47Å; I43-L266 HydrophobicContact CG2-CD2 4.26Å; E46-L266 HydrophobicContact CB-CD1 3.76Å; E46-L266 HydrophobicContact CB-CD2 3.78Å; E46-L266 HydrophobicContact CB-CG 4.43Å; E46-L266 HydrophobicContact CG-CD1 3.77Å; E46-L266 HydrophobicContact CG-CD2 3.86Å; E46-L266 HydrophobicContact CG-CG 4.43Å; L47-L266 HydrophobicContact CD2-CD2 4.25Å; L47-L266 HydrophobicContact CG-CD2 4.15Å; A262-L266 HydrophobicContact CB-CD1 3.94Å; A262-L266 WeakPolarHBondContact O-CB 3.17Å; A262-L266 WeakPolarHBondContact O-CD1 3.31Å; A262-L266 VanDerWaalsContact O-CG 3.23Å; A262-L266 WeakPolarHBondContact O-CG 3.37Å; A262-L266 PolarHBondContact O-N 3.1Å; Q263-L266 PolarHBondContact O-N 3.06Å; T264-L266 VanDerWaalsContact C-N 3.35Å; T264-L266 PolarHBondContact O-N 3.31Å; L266-L268 VanDerWaalsContact C-N 3.32Å; L266-L268 PolarHBondContact O-N 2.67Å; L266-L269 PolarHBondContact O-N 2.91Å; L266-L270 HydrophobicContact CD2-CD1 4.07Å; L266-L270 VanDerWaalsContact O-CB 3.31Å; L266-L270 WeakPolarHBondContact O-CB 3.34Å; L266-L270 WeakPolarHBondContact O-CG 3.36Å; L266-L270 PolarHBondContact O-N 3.33Å |
| 267 | Y | 98.3 | Very high | 95.5 | Very high | 21 Ų | 21 | 35.1 Ų | 35.1 | 8% | 0.082 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -57.3 | -46.3 | 172.7 | 169.5 | -101 | 0 | 0 | 0 | 111.7 | Y19 Q263 T264 P265 L269 L270 S271 E273 V274 F282 M285 | Y19-Y267 AromaticContact CD2-CD2 3.86Å; Y19-Y267 HydrophobicContact CD2-CD2 3.86Å; Y19-Y267 HydrophobicContact CD2-CG 4.49Å; Y19-Y267 HydrophobicContact CE2-CD2 4.06Å; Q263-Y267 WeakPolarHBondContact O-CB 3.23Å; Q263-Y267 PolarHBondContact O-N 3.4Å; T264-Y267 PolarHBondContact O-N 2.96Å; P265-Y267 PolarHBondContact O-N 3.09Å; Y267-L269 VanDerWaalsContact C-N 3.32Å; Y267-L269 PolarHBondContact O-N 3.34Å; Y267-L270 PolarHBondContact O-N 3.31Å; Y267-S271 WeakPolarHBondContact O-CB 3.29Å; Y267-S271 PolarHBondContact O-N 3.06Å; Y267-E273 HydrophobicContact CE2-CB 4.38Å; Y267-E273 PolarHBondContact OH-OE2 2.97Å; Y267-V274 HydrophobicContact CD1-CG1 4.3Å; Y267-V274 HydrophobicContact CE1-CG1 3.35Å; Y267-V274 HydrophobicContact CE2-CG1 4.49Å; Y267-V274 VanDerWaalsContact CZ-CG1 3.47Å; Y267-V274 VanDerWaalsContact OH-CG1 3.28Å; Y267-V274 WeakPolarHBondContact OH-CG1 3.33Å; Y267-F282 HydrophobicContact CE1-CD1 4.19Å; Y267-F282 HydrophobicContact CE1-CE1 4Å; Y267-M285 VanDerWaalsContact CB-SD 3.53Å; Y267-M285 HydrophobicContact CD1-CB 3.73Å; Y267-M285 HydrophobicContact CD1-CG 3.84Å; Y267-M285 HydrophobicContact CD2-CB 4.18Å; Y267-M285 HydrophobicContact CD2-CG 4.14Å; Y267-M285 HydrophobicContact CD2-SD 3.85Å; Y267-M285 HydrophobicContact CE1-CB 4.01Å; Y267-M285 HydrophobicContact CE2-CB 4.44Å; Y267-M285 HydrophobicContact CG-CB 3.82Å; Y267-M285 HydrophobicContact CG-CG 3.56Å; Y267-M285 HydrophobicContact CG-SD 3.76Å |
| 268 | L | 98.5 | Very high | 96.2 | Very high | 2 Ų | 2 | 34.5 Ų | 34.5 | 1% | 0.01 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.8 | -36.6 | 177.9 | -69.7 | 176.6 | 0 | 0 | 0 | 112.6 | R160 V162 N220 C222 T264 P265 L266 V274 F282 | R160-L268 WeakPolarHBondContact CD-O 3.37Å; R160-L268 PolarHBondContact NH1-O 3.29Å; V162-L268 HydrophobicContact CG1-CD1 4.05Å; V162-L268 HydrophobicContact CG2-CB 3.69Å; V162-L268 HydrophobicContact CG2-CD1 4.41Å; N220-L268 HydrophobicContact CB-CD1 4.23Å; N220-L268 HydrophobicContact CB-CD2 4.38Å; C222-L268 HydrophobicContact CB-CD1 3.78Å; T264-L268 HydrophobicContact CG2-CD1 4.44Å; T264-L268 WeakPolarHBondContact O-CG 3.17Å; T264-L268 PolarHBondContact O-N 3.49Å; P265-L268 PolarHBondContact O-N 3.19Å; L266-L268 VanDerWaalsContact C-N 3.32Å; L266-L268 PolarHBondContact O-N 2.67Å; L268-V274 HydrophobicContact CD2-CG1 4.45Å; L268-V274 HydrophobicContact CD2-CG2 4.45Å; L268-F282 HydrophobicContact CD1-CB 4.28Å; L268-F282 HydrophobicContact CD1-CD2 4.17Å; L268-F282 HydrophobicContact CD1-CG 4.37Å; L268-F282 HydrophobicContact CD2-CB 4.5Å; L268-F282 HydrophobicContact CD2-CD1 4.1Å; L268-F282 HydrophobicContact CD2-CD2 3.53Å; L268-F282 HydrophobicContact CD2-CE1 4.15Å; L268-F282 HydrophobicContact CD2-CE2 3.54Å; L268-F282 HydrophobicContact CD2-CG 3.8Å; L268-F282 HydrophobicContact CD2-CZ 3.87Å; L268-F282 HydrophobicContact CG-CD2 4.42Å; L268-F282 HydrophobicContact CG-CG 4.49Å |
| 269 | L | 98.4 | Very high | 96.7 | Very high | 5 Ų | 5 | 33.3 Ų | 33.3 | 3% | 0.026 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -76.2 | -32.5 | 179.8 | -68.5 | 164 | 0 | 0 | 0 | 114 | F30 I43 L47 V112 R160 V162 P265 L266 Y267 | F30-L269 HydrophobicContact CD1-CD2 4.14Å; F30-L269 HydrophobicContact CE1-CB 4.23Å; F30-L269 HydrophobicContact CE1-CD2 4.06Å; I43-L269 HydrophobicContact CG2-CD1 4.09Å; L47-L269 HydrophobicContact CD1-CD1 4.31Å; V112-L269 HydrophobicContact CG2-CD1 3.37Å; V112-L269 HydrophobicContact CG2-CD2 3.9Å; V112-L269 HydrophobicContact CG2-CG 4.17Å; R160-L269 HydrophobicContact CB-CD2 4.35Å; V162-L269 HydrophobicContact CG2-CD2 3.81Å; V162-L269 HydrophobicContact CG2-CG 3.97Å; P265-L269 VanDerWaalsContact O-CG 3.27Å; P265-L269 WeakPolarHBondContact O-CG 3.44Å; P265-L269 PolarHBondContact O-N 2.9Å; L266-L269 PolarHBondContact O-N 2.91Å; Y267-L269 VanDerWaalsContact C-N 3.32Å; Y267-L269 PolarHBondContact O-N 3.34Å |
| 270 | L | 98.1 | Very high | 97.1 | Very high | 13 Ų | 13 | 32.4 Ų | 32.4 | 7% | 0.068 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -118.3 | -29.4 | -163.3 | -63.1 | 170.6 | 0 | 0 | 0 | 114.3 | Y19 E23 A25 F30 L47 L266 Y267 K272 | Y19-L270 HydrophobicContact CE1-CB 3.82Å; Y19-L270 HydrophobicContact CE1-CD1 3.99Å; Y19-L270 WeakPolarHBondContact OH-CB 3.41Å; E23-L270 WeakPolarHBondContact CG-O 3.24Å; A25-L270 HydrophobicContact CB-CD2 4.24Å; F30-L270 HydrophobicContact CZ-CD2 4.25Å; L47-L270 HydrophobicContact CD2-CD1 4.08Å; L47-L270 HydrophobicContact CD2-CD2 3.89Å; L47-L270 HydrophobicContact CD2-CG 4.15Å; L266-L270 HydrophobicContact CD2-CD1 4.07Å; L266-L270 VanDerWaalsContact O-CB 3.31Å; L266-L270 WeakPolarHBondContact O-CB 3.34Å; L266-L270 WeakPolarHBondContact O-CG 3.36Å; L266-L270 PolarHBondContact O-N 3.33Å; Y267-L270 PolarHBondContact O-N 3.31Å; L270-K272 PolarHBondContact O-N 2.8Å |
| 271 | S | 97.7 | Very high | 97.4 | Very high | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.007 | 18% | 0.18 | C | C | . | . | trans | -72.4 | 133.9 | -170 | -177 | 0 | 0 | 0 | 0 | 111.9 | Y19 R160 Y267 E273 V274 | Y19-S271 WeakPolarHBondContact OH-CA 3.46Å; Y19-S271 PolarHBondContact OH-N 3.31Å; R160-S271 PolarHBondContact NH1-O 3.09Å; R160-S271 PolarHBondContact NH2-O 3.32Å; Y267-S271 WeakPolarHBondContact O-CB 3.29Å; Y267-S271 PolarHBondContact O-N 3.06Å; S271-E273 PolarHBondContact O-N 3.31Å; S271-E273 WeakPolarHBondContact OG-CB 3.36Å; S271-E273 PolarHBondContact OG-N 2.99Å; S271-E273 VanDerWaalsContact OG-N 3.15Å; S271-V274 WeakPolarHBondContact O-CG2 3.4Å | ||
| 272 | K | 96.3 | Very high | 97.7 | Very high | 164 Ų | 164 | 32.7 Ų | 32.7 | 71% | 0.713 | 18% | 0.182 | S | C | * | . | G | 310 helix | trans | -66.6 | -23.5 | 170.1 | -63.3 | -175.1 | 180 | -176 | 0 | 112.9 | E23 L270 V274 S275 | E23-K272 HydrophobicContact CG-CG 4.37Å; E23-K272 PolarHBondContact OE1-N 3.49Å; L270-K272 PolarHBondContact O-N 2.8Å; K272-V274 PolarHBondContact O-N 3.19Å; K272-V274 VanDerWaalsContact O-N 3.16Å; K272-S275 WeakPolarHBondContact O-CB 3.49Å; K272-S275 PolarHBondContact O-N 3.36Å; K272-S275 VanDerWaalsContact O-N 3.13Å |
| 273 | E | 97 | Very high | 97.6 | Very high | 146 Ų | 146 | 34.2 Ų | 34.2 | 68% | 0.682 | 19% | 0.191 | S | C | * | . | G | 310 helix | trans | -63.6 | -20.2 | -179.5 | -63.7 | 178.5 | -170.3 | 0 | 0 | 113.3 | Y267 S271 | Y267-E273 HydrophobicContact CE2-CB 4.38Å; Y267-E273 PolarHBondContact OH-OE2 2.97Å; S271-E273 PolarHBondContact O-N 3.31Å; S271-E273 WeakPolarHBondContact OG-CB 3.36Å; S271-E273 PolarHBondContact OG-N 2.99Å; S271-E273 VanDerWaalsContact OG-N 3.15Å |
| 274 | V | 97.5 | Very high | 97.5 | Very high | 4 Ų | 4 | 36.3 Ų | 36.3 | 2% | 0.024 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -113 | 16.7 | 178.3 | -62.7 | 0 | 0 | 0 | 0 | 113.1 | Y267 L268 S271 K272 G276 V277 F282 | Y267-V274 HydrophobicContact CD1-CG1 4.3Å; Y267-V274 HydrophobicContact CE1-CG1 3.35Å; Y267-V274 HydrophobicContact CE2-CG1 4.49Å; Y267-V274 VanDerWaalsContact CZ-CG1 3.47Å; Y267-V274 VanDerWaalsContact OH-CG1 3.28Å; Y267-V274 WeakPolarHBondContact OH-CG1 3.33Å; L268-V274 HydrophobicContact CD2-CG1 4.45Å; L268-V274 HydrophobicContact CD2-CG2 4.45Å; S271-V274 WeakPolarHBondContact O-CG2 3.4Å; K272-V274 PolarHBondContact O-N 3.19Å; K272-V274 VanDerWaalsContact O-N 3.16Å; V274-G276 PolarHBondContact O-N 3.24Å; V274-V277 HydrophobicContact CB-CB 4.18Å; V274-V277 HydrophobicContact CB-CG2 4.21Å; V274-V277 WeakPolarHBondContact O-CB 3.34Å; V274-V277 PolarHBondContact O-N 2.85Å; V274-V277 VanDerWaalsContact O-N 3.11Å; V274-F282 HydrophobicContact CG1-CE1 4.1Å; V274-F282 HydrophobicContact CG1-CZ 4.02Å |
| 275 | S | 97.1 | Very high | 97.4 | Very high | 69 Ų | 69 | 36.7 Ų | 36.7 | 48% | 0.483 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | 136.2 | 170.8 | -147.6 | 0 | 0 | 0 | 0 | 110.1 | E158 K272 V277 | E158-S275 WeakPolarHBondContact OE1-CA 3.19Å; E158-S275 PolarHBondContact OE1-OG 2.73Å; E158-S275 WeakPolarHBondContact OE2-CA 3.32Å; E158-S275 PolarHBondContact OE2-OG 3.13Å; K272-S275 WeakPolarHBondContact O-CB 3.49Å; K272-S275 PolarHBondContact O-N 3.36Å; K272-S275 VanDerWaalsContact O-N 3.13Å; S275-V277 PolarHBondContact O-N 2.86Å; S275-V277 VanDerWaalsContact O-N 3.13Å |
| 276 | G | 97.4 | Very high | 97.3 | Very high | 58 Ų | 58 | 42.9 Ų | 42.9 | 60% | 0.598 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 72.8 | -8.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | E158 V274 S278 | E158-G276 PolarHBondContact OE2-N 2.77Å; V274-G276 PolarHBondContact O-N 3.24Å; G276-S278 PolarHBondContact O-N 3.29Å |
| 277 | V | 98.4 | Very high | 97.2 | Very high | 39 Ų | 39 | 47.5 Ų | 47.5 | 24% | 0.236 | 25% | 0.252 | C | S | . | . | trans | -75.2 | 121.2 | 179.2 | -178.5 | 0 | 0 | 0 | 0 | 108.6 | T218 N220 V274 S275 K280 F282 | T218-V277 WeakPolarHBondContact CB-O 3.37Å; N220-V277 PolarHBondContact ND2-O 3.29Å; V274-V277 HydrophobicContact CB-CB 4.18Å; V274-V277 HydrophobicContact CB-CG2 4.21Å; V274-V277 WeakPolarHBondContact O-CB 3.34Å; V274-V277 PolarHBondContact O-N 2.85Å; V274-V277 VanDerWaalsContact O-N 3.11Å; S275-V277 PolarHBondContact O-N 2.86Å; S275-V277 VanDerWaalsContact O-N 3.13Å; V277-K280 HydrophobicContact CG1-CB 4.15Å; V277-K280 HydrophobicContact CG1-CG 3.62Å; V277-F282 HydrophobicContact CG1-CE2 4.24Å; V277-F282 HydrophobicContact CG1-CZ 4.01Å | ||
| 278 | S | 98.6 | Very high | 97.1 | Very high | 32 Ų | 32 | 53.4 Ų | 53.4 | 22% | 0.224 | 28% | 0.275 | C | S | . | . | trans | -141.3 | 150.2 | -178.7 | -157.8 | 0 | 0 | 0 | 0 | 110.6 | A207 T218 S219 G276 | A207-S278 WeakPolarHBondContact CB-OG 3.35Å; T218-S278 WeakPolarHBondContact CA-OG 3.47Å; S219-S278 PolarHBondContact N-OG 3.25Å; G276-S278 PolarHBondContact O-N 3.29Å | ||
| 279 | G | 98.4 | Very high | 97 | Very high | 12 Ų | 12 | 59.1 Ų | 59.1 | 12% | 0.124 | 31% | 0.305 | C | S | . | . | S | Bend | trans | 71.2 | 26.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | K204 S219 N220 | K204-G279 WeakPolarHBondContact CG-O 3.49Å; S219-G279 WeakPolarHBondContact O-CA 3.25Å; S219-G279 PolarHBondContact O-N 2.96Å; N220-G279 PolarHBondContact OD1-N 2.64Å |
| 280 | K | 98.5 | Very high | 97 | Very high | 85 Ų | 85 | 59.5 Ų | 59.5 | 37% | 0.37 | 31% | 0.308 | S | S | . | . | trans | -112.1 | 158.9 | -177.9 | -55.4 | -54.9 | 179.9 | -174.4 | 0 | 112.3 | N220 S221 V277 F282 Q287 | N220-K280 PolarHBondContact OD1-N 2.98Å; S221-K280 PolarHBondContact N-O 3.42Å; S221-K280 PolarHBondContact OG-O 3.39Å; V277-K280 HydrophobicContact CG1-CB 4.15Å; V277-K280 HydrophobicContact CG1-CG 3.62Å; K280-F282 HydrophobicContact CB-CD2 4.26Å; K280-F282 HydrophobicContact CB-CE2 3.64Å; K280-F282 HydrophobicContact CB-CZ 4.37Å; K280-Q287 HydrophobicContact CB-CG 4.28Å | ||
| 281 | Y | 98.5 | Very high | 96.9 | Very high | 9 Ų | 9 | 59.4 Ų | 59.4 | 4% | 0.035 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 133.8 | 175.4 | 177.8 | -111.4 | 0 | 0 | 0 | 110.5 | H169 I200 S221 H223 V283 Q287 R288 P290 | H169-Y281 AromaticContact CE1-CE1 3.97Å; H169-Y281 AromaticContact CE1-CZ 3.75Å; H169-Y281 PolarHBondContact CE1-OH 2.79Å; I200-Y281 HydrophobicContact CD1-CD2 3.8Å; I200-Y281 HydrophobicContact CD1-CE2 3.66Å; I200-Y281 HydrophobicContact CG1-CD2 4.08Å; I200-Y281 HydrophobicContact CG1-CE2 4.23Å; S221-Y281 CarbonylContact O-C 3.53Å; S221-Y281 WeakPolarHBondContact O-CA 3.37Å; S221-Y281 WeakPolarHBondContact OG-CD2 3.28Å; H223-Y281 HydrophobicContact CB-CE2 4.4Å; H223-Y281 VanDerWaalsContact CB-OH 3.26Å; H223-Y281 WeakPolarHBondContact CB-OH 3.27Å; Y281-V283 HydrophobicContact CD1-CG2 4.23Å; Y281-V283 HydrophobicContact CE1-CG2 3.52Å; Y281-Q287 CarbonylContact O-C 3.58Å; Y281-Q287 WeakPolarHBondContact O-CA 3.36Å; Y281-R288 HydrophobicContact CD1-CB 4.21Å; Y281-R288 PolarHBondContact O-N 3.16Å; Y281-R288 VanDerWaalsContact O-O 3.09Å; Y281-P290 HydrophobicContact CD1-CB 4.09Å; Y281-P290 HydrophobicContact CG-CB 4.12Å |
| 282 | F | 98.1 | Very high | 96.9 | Very high | 7 Ų | 7 | 65.6 Ų | 65.6 | 3% | 0.031 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 139.3 | -175.3 | -73.4 | -101.9 | 0 | 0 | 0 | 113.5 | N220 S221 C222 H223 T264 Y267 L268 V274 V277 K280 K286 Q287 | N220-F282 HydrophobicContact CB-CE2 4.46Å; S221-F282 PolarHBondContact O-N 3.18Å; C222-F282 CarbonylContact C-O 3.43Å; C222-F282 WeakPolarHBondContact CA-O 3.45Å; C222-F282 HydrophobicContact CB-CB 4.12Å; C222-F282 WeakPolarHBondContact CB-O 3.1Å; H223-F282 PolarHBondContact N-O 3.12Å; T264-F282 HydrophobicContact CG2-CB 3.83Å; Y267-F282 HydrophobicContact CE1-CD1 4.19Å; Y267-F282 HydrophobicContact CE1-CE1 4Å; L268-F282 HydrophobicContact CD1-CB 4.28Å; L268-F282 HydrophobicContact CD1-CD2 4.17Å; L268-F282 HydrophobicContact CD1-CG 4.37Å; L268-F282 HydrophobicContact CD2-CB 4.5Å; L268-F282 HydrophobicContact CD2-CD1 4.1Å; L268-F282 HydrophobicContact CD2-CD2 3.53Å; L268-F282 HydrophobicContact CD2-CE1 4.15Å; L268-F282 HydrophobicContact CD2-CE2 3.54Å; L268-F282 HydrophobicContact CD2-CG 3.8Å; L268-F282 HydrophobicContact CD2-CZ 3.87Å; L268-F282 HydrophobicContact CG-CD2 4.42Å; L268-F282 HydrophobicContact CG-CG 4.49Å; V274-F282 HydrophobicContact CG1-CE1 4.1Å; V274-F282 HydrophobicContact CG1-CZ 4.02Å; V277-F282 HydrophobicContact CG1-CE2 4.24Å; V277-F282 HydrophobicContact CG1-CZ 4.01Å; K280-F282 HydrophobicContact CB-CD2 4.26Å; K280-F282 HydrophobicContact CB-CE2 3.64Å; K280-F282 HydrophobicContact CB-CZ 4.37Å; F282-K286 WeakPolarHBondContact CA-O 3.24Å; F282-K286 VanDerWaalsContact CD1-C 3.46Å; F282-Q287 HydrophobicContact CD1-CB 4.48Å; F282-Q287 HydrophobicContact CE1-CB 4.12Å; F282-Q287 HydrophobicContact CZ-CB 4.34Å |
| 283 | V | 94.3 | Very high | 96.9 | Very high | 33 Ų | 33 | 58.5 Ų | 58.5 | 20% | 0.2 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 124.4 | 172.1 | -174.2 | 0 | 0 | 0 | 0 | 108.6 | H223 Y281 M285 K286 R288 | H223-V283 HydrophobicContact CB-CG2 4.31Å; Y281-V283 HydrophobicContact CD1-CG2 4.23Å; Y281-V283 HydrophobicContact CE1-CG2 3.52Å; V283-M285 VanDerWaalsContact C-N 3.27Å; V283-M285 PolarHBondContact O-N 2.97Å; V283-K286 PolarHBondContact N-O 3.3Å; V283-K286 PolarHBondContact O-N 2.86Å; V283-R288 HydrophobicContact CB-CG 4.01Å; V283-R288 HydrophobicContact CG2-CB 4.21Å; V283-R288 HydrophobicContact CG2-CG 3.98Å |
| 284 | N | 92.5 | Very high | 97 | Very high | 58 Ų | 58 | 51.5 Ų | 51.5 | 31% | 0.31 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.9 | 46.2 | -177.7 | -66.7 | -33.4 | 0 | 0 | 0 | 112.4 | K256 T264 K286 | K256-N284 PolarHBondContact NZ-OD1 2.59Å; T264-N284 PolarHBondContact OG1-N 3.33Å; N284-K286 PolarHBondContact O-N 3.24Å |
| 285 | M | 95 | Very high | 96.9 | Very high | 10 Ų | 10 | 54.8 Ų | 54.8 | 5% | 0.049 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 59.3 | 20.4 | -177.6 | -55.7 | 178.3 | -82.7 | 0 | 0 | 115.5 | K17 Q18 Y19 T264 Y267 V283 | K17-M285 HydrophobicContact CB-CE 3.4Å; K17-M285 HydrophobicContact CD-CE 3.67Å; K17-M285 HydrophobicContact CG-CE 3.36Å; K17-M285 WeakPolarHBondContact O-CE 3.48Å; Q18-M285 VanDerWaalsContact C-CE 3.48Å; Y19-M285 HydrophobicContact CD2-SD 4.3Å; Y19-M285 HydrophobicContact CG-SD 4.37Å; T264-M285 PolarHBondContact OG1-N 2.68Å; Y267-M285 VanDerWaalsContact CB-SD 3.53Å; Y267-M285 HydrophobicContact CD1-CB 3.73Å; Y267-M285 HydrophobicContact CD1-CG 3.84Å; Y267-M285 HydrophobicContact CD2-CB 4.18Å; Y267-M285 HydrophobicContact CD2-CG 4.14Å; Y267-M285 HydrophobicContact CD2-SD 3.85Å; Y267-M285 HydrophobicContact CE1-CB 4.01Å; Y267-M285 HydrophobicContact CE2-CB 4.44Å; Y267-M285 HydrophobicContact CG-CB 3.82Å; Y267-M285 HydrophobicContact CG-CG 3.56Å; Y267-M285 HydrophobicContact CG-SD 3.76Å; V283-M285 VanDerWaalsContact C-N 3.27Å; V283-M285 PolarHBondContact O-N 2.97Å |
| 286 | K | 96 | Very high | 96.9 | Very high | 129 Ų | 129 | 54.5 Ų | 54.5 | 56% | 0.561 | 29% | 0.288 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 137.8 | 171.1 | -66.8 | -170.3 | 175.5 | -170.2 | 0 | 110 | F282 V283 N284 | F282-K286 WeakPolarHBondContact CA-O 3.24Å; F282-K286 VanDerWaalsContact CD1-C 3.46Å; V283-K286 PolarHBondContact N-O 3.3Å; V283-K286 PolarHBondContact O-N 2.86Å; N284-K286 PolarHBondContact O-N 3.24Å |
| 287 | Q | 97.3 | Very high | 96.9 | Very high | 100 Ų | 100 | 54 Ų | 54 | 47% | 0.467 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.6 | 138.3 | 170.5 | -177.7 | 178.6 | -43.7 | 0 | 0 | 109.5 | K280 Y281 F282 | K280-Q287 HydrophobicContact CB-CG 4.28Å; Y281-Q287 CarbonylContact O-C 3.58Å; Y281-Q287 WeakPolarHBondContact O-CA 3.36Å; F282-Q287 HydrophobicContact CD1-CB 4.48Å; F282-Q287 HydrophobicContact CE1-CB 4.12Å; F282-Q287 HydrophobicContact CZ-CB 4.34Å |
| 288 | R | 96.8 | Very high | 96.8 | Very high | 145 Ų | 145 | 56.8 Ų | 56.8 | 55% | 0.547 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 157.1 | 176.5 | -66.2 | -62.8 | -176.6 | 156.2 | 1.1 | 109.3 | Y281 V283 | Y281-R288 HydrophobicContact CD1-CB 4.21Å; Y281-R288 PolarHBondContact O-N 3.16Å; Y281-R288 VanDerWaalsContact O-O 3.09Å; V283-R288 HydrophobicContact CB-CG 4.01Å; V283-R288 HydrophobicContact CG2-CB 4.21Å; V283-R288 HydrophobicContact CG2-CG 3.98Å |
| 289 | D | 96.5 | Very high | 96.8 | Very high | 122 Ų | 122 | 57.9 Ų | 57.9 | 65% | 0.652 | 28% | 0.282 | S | S | * | . | trans | -77.4 | 134.4 | 169.5 | -58 | -37.9 | 0 | 0 | 0 | 109.5 | M295 | D289-M295 HydrophobicContact CB-SD 4.02Š| ||
| 290 | P | 96.9 | Very high | 96.7 | Very high | 13 Ų | 13 | 57.4 Ų | 57.4 | 8% | 0.084 | 28% | 0.277 | C | S | . | . | trans | -78.4 | -170.1 | 170.8 | 36.5 | -35.6 | 0 | 0 | 0 | 110.3 | H169 I200 Y281 A294 M295 | H169-P290 WeakPolarHBondContact NE2-CA 3.12Å; I200-P290 HydrophobicContact CD1-CB 4.11Å; I200-P290 HydrophobicContact CG2-CB 3.9Å; I200-P290 HydrophobicContact CG2-CG 4Å; Y281-P290 HydrophobicContact CD1-CB 4.09Å; Y281-P290 HydrophobicContact CG-CB 4.12Å; P290-A294 HydrophobicContact CB-CB 3.77Å; P290-A294 HydrophobicContact CG-CB 3.74Å; P290-M295 HydrophobicContact CG-CG 3.88Å | ||
| 291 | S | 97 | Very high | 96.7 | Very high | 12 Ų | 12 | 58.1 Ų | 58.1 | 8% | 0.084 | 28% | 0.277 | C | S | . | . | trans | -59.4 | 155.3 | 172.3 | 63.7 | 0 | 0 | 0 | 0 | 112.5 | H169 V197 L293 A294 M295 | H169-S291 PolarHBondContact CD2-N 3.17Å; H169-S291 PolarHBondContact CD2-OG 3Å; H169-S291 PolarHBondContact NE2-N 3.15Å; V197-S291 WeakPolarHBondContact CG2-OG 3.24Å; S291-L293 PolarHBondContact O-N 2.95Å; S291-A294 WeakPolarHBondContact O-CA 3.44Å; S291-A294 WeakPolarHBondContact O-CB 3.19Å; S291-A294 PolarHBondContact O-N 3.32Å; S291-A294 PolarHBondContact OG-N 3.35Å; S291-M295 PolarHBondContact O-N 3.34Å; S291-M295 VanDerWaalsContact O-N 3.16Å | ||
| 292 | D | 97 | Very high | 96.7 | Very high | 130 Ų | 130 | 63 Ų | 63 | 70% | 0.695 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -55.1 | -40.4 | 177.1 | -58.4 | -31.3 | 0 | 0 | 0 | 112 | A294 M295 D296 | D292-A294 VanDerWaalsContact C-N 3.25Å; D292-A294 PolarHBondContact O-N 2.98Å; D292-M295 WeakPolarHBondContact O-CA 3.02Å; D292-M295 WeakPolarHBondContact O-CB 3.47Å; D292-M295 PolarHBondContact O-N 3.38Å; D292-M295 WeakPolarHBondContact OD1-CE 3.16Å; D292-D296 PolarHBondContact O-N 3.28Å |
| 293 | L | 97 | Very high | 96.6 | Very high | 15 Ų | 15 | 62.8 Ų | 62.8 | 8% | 0.079 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -56.6 | -37 | 173.6 | 179.5 | 59.4 | 0 | 0 | 0 | 112.9 | A172 L175 V197 M201 S291 M295 Q299 | A172-L293 HydrophobicContact CB-CD2 3.96Å; A172-L293 WeakPolarHBondContact O-CD2 3.21Å; L175-L293 HydrophobicContact CB-CD2 4.18Å; V197-L293 HydrophobicContact CG1-CD2 4.02Å; V197-L293 HydrophobicContact CG2-CB 4.41Å; V197-L293 HydrophobicContact CG2-CD2 4.3Å; V197-L293 HydrophobicContact CG2-CG 4.24Å; M201-L293 HydrophobicContact SD-CG 4.32Å; S291-L293 PolarHBondContact O-N 2.95Å; L293-M295 VanDerWaalsContact C-N 3.31Å; L293-Q299 VanDerWaalsContact CD1-CD 3.46Å; L293-Q299 VanDerWaalsContact CD1-NE2 3.33Å |
| 294 | A | 97.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -77.3 | -18.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | V197 I200 M201 K204 P290 S291 D292 | V197-A294 HydrophobicContact CG2-CB 3.76Å; I200-A294 HydrophobicContact CB-CB 4.2Å; I200-A294 HydrophobicContact CG2-CB 3.82Å; M201-A294 HydrophobicContact CG-CB 4.18Å; K204-A294 VanDerWaalsContact CD-O 3.3Å; K204-A294 WeakPolarHBondContact CD-O 3.42Å; K204-A294 PolarHBondContact NZ-O 3.23Å; P290-A294 HydrophobicContact CB-CB 3.77Å; P290-A294 HydrophobicContact CG-CB 3.74Å; S291-A294 WeakPolarHBondContact O-CA 3.44Å; S291-A294 WeakPolarHBondContact O-CB 3.19Å; S291-A294 PolarHBondContact O-N 3.32Å; S291-A294 PolarHBondContact OG-N 3.35Å; D292-A294 VanDerWaalsContact C-N 3.25Å; D292-A294 PolarHBondContact O-N 2.98Å |
| 295 | M | 96.7 | Very high | 97 | Very high | 72 Ų | 72 | 64.7 Ų | 64.7 | 36% | 0.355 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -86.3 | -22.7 | 177.3 | -65.1 | -168.2 | -71.7 | 0 | 0 | 112.5 | D289 P290 S291 D292 L293 M297 | D289-M295 HydrophobicContact CB-SD 4.02Å; P290-M295 HydrophobicContact CG-CG 3.88Å; S291-M295 PolarHBondContact O-N 3.34Å; S291-M295 VanDerWaalsContact O-N 3.16Å; D292-M295 WeakPolarHBondContact O-CA 3.02Å; D292-M295 WeakPolarHBondContact O-CB 3.47Å; D292-M295 PolarHBondContact O-N 3.38Å; D292-M295 WeakPolarHBondContact OD1-CE 3.16Å; L293-M295 VanDerWaalsContact C-N 3.31Å; M295-M297 PolarHBondContact O-N 2.97Å; M295-M297 VanDerWaalsContact O-N 3.1Å |
| 296 | D | 97.1 | Very high | 97.2 | Very high | 63 Ų | 63 | 66.1 Ų | 66.1 | 34% | 0.337 | 32% | 0.315 | S | S | . | . | trans | -66.1 | 101.9 | 175.3 | -173 | -23 | 0 | 0 | 0 | 112 | D292 E298 Q299 C300 | D292-D296 PolarHBondContact O-N 3.28Å; D296-E298 VanDerWaalsContact C-N 3.3Å; D296-E298 PolarHBondContact O-N 3.24Å; D296-E298 WeakPolarHBondContact OD1-CB 3.38Å; D296-E298 PolarHBondContact OD1-N 3.06Å; D296-Q299 HydrophobicContact CB-CB 4.23Å; D296-Q299 PolarHBondContact OD1-N 3.35Å; D296-Q299 VanDerWaalsContact OD1-N 3.1Å; D296-Q299 WeakPolarHBondContact OD2-CG 3.46Å; D296-Q299 PolarHBondContact OD2-NE2 3.04Å; D296-C300 PolarHBondContact O-N 3.48Å; D296-C300 PolarHBondContact O-SG 3.02Å | ||
| 297 | M | 97.2 | Very high | 97.3 | Very high | 47 Ų | 47 | 60 Ų | 60 | 23% | 0.232 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -72 | -21.8 | -177.9 | -69.5 | -55 | -57.6 | 0 | 0 | 113.7 | K204 L205 E208 M295 C300 R301 | K204-M297 HydrophobicContact CB-SD 4.38Å; K204-M297 PolarHBondContact NZ-SD 3.41Å; L205-M297 HydrophobicContact CD1-CE 4.01Å; E208-M297 WeakPolarHBondContact OE2-CE 3.44Å; M295-M297 PolarHBondContact O-N 2.97Å; M295-M297 VanDerWaalsContact O-N 3.1Å; M297-C300 HydrophobicContact CE-CB 4.29Å; M297-C300 WeakPolarHBondContact O-CB 3.15Å; M297-C300 PolarHBondContact O-N 3.17Å; M297-C300 HydrophobicContact SD-CB 4.42Å; M297-R301 WeakPolarHBondContact O-CG 3.31Å; M297-R301 PolarHBondContact O-N 3.45Å; M297-R301 VanDerWaalsContact O-N 3.09Å |
| 298 | E | 97.1 | Very high | 97.3 | Very high | 99 Ų | 99 | 56.9 Ų | 56.9 | 46% | 0.463 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -73.2 | -46.4 | 176.2 | -176.7 | 52.3 | -149.9 | 0 | 0 | 110.3 | D296 C300 R301 Q302 | D296-E298 VanDerWaalsContact C-N 3.3Å; D296-E298 PolarHBondContact O-N 3.24Å; D296-E298 WeakPolarHBondContact OD1-CB 3.38Å; D296-E298 PolarHBondContact OD1-N 3.06Å; E298-C300 PolarHBondContact O-N 2.84Å; E298-R301 PolarHBondContact O-N 3.16Å; E298-R301 IonicContact OE2-NH1 2.65Å; E298-Q302 WeakPolarHBondContact O-CG 3.18Å; E298-Q302 PolarHBondContact O-N 3.38Å; E298-Q302 PolarHBondContact OE1-NE2 3.19Å |
| 299 | Q | 97 | Very high | 97.3 | Very high | 55 Ų | 55 | 52.3 Ų | 52.3 | 26% | 0.257 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -62.3 | -32.4 | 171.5 | -73 | -171.6 | 83.7 | 0 | 0 | 112.3 | M201 L293 D296 L303 | M201-Q299 VanDerWaalsContact CE-C 3.49Å; M201-Q299 HydrophobicContact CE-CB 3.69Å; L293-Q299 VanDerWaalsContact CD1-CD 3.46Å; L293-Q299 VanDerWaalsContact CD1-NE2 3.33Å; D296-Q299 HydrophobicContact CB-CB 4.23Å; D296-Q299 PolarHBondContact OD1-N 3.35Å; D296-Q299 VanDerWaalsContact OD1-N 3.1Å; D296-Q299 WeakPolarHBondContact OD2-CG 3.46Å; D296-Q299 PolarHBondContact OD2-NE2 3.04Å; Q299-L303 VanDerWaalsContact O-CB 3.25Å; Q299-L303 WeakPolarHBondContact O-CB 3.31Å; Q299-L303 PolarHBondContact O-N 3.45Å |
| 300 | C | 97.9 | Very high | 97.3 | Very high | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.007 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.5 | -43.7 | 171.6 | -66.4 | 0 | 0 | 0 | 0 | 112.1 | M201 L205 D296 M297 E298 Y304 | M201-C300 HydrophobicContact CB-CB 4.43Å; M201-C300 VanDerWaalsContact CB-SG 3.57Å; L205-C300 HydrophobicContact CB-CB 4.31Å; D296-C300 PolarHBondContact O-N 3.48Å; D296-C300 PolarHBondContact O-SG 3.02Å; M297-C300 HydrophobicContact CE-CB 4.29Å; M297-C300 WeakPolarHBondContact O-CB 3.15Å; M297-C300 PolarHBondContact O-N 3.17Å; M297-C300 HydrophobicContact SD-CB 4.42Å; E298-C300 PolarHBondContact O-N 2.84Å; C300-Y304 WeakPolarHBondContact O-CB 3.46Å; C300-Y304 PolarHBondContact O-N 3.15Å |
| 301 | R | 97.9 | Very high | 97.4 | Very high | 100 Ų | 100 | 46.8 Ų | 46.8 | 38% | 0.377 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -66 | -44.7 | 178.3 | -72.1 | 179.3 | -167.1 | 103.4 | 6.2 | 112 | L205 E208 M297 E298 L303 Y304 V305 | L205-R301 HydrophobicContact CD1-CG 3.66Å; E208-R301 IonicContact OE1-NH2 3.99Å; E208-R301 PolarHBondContact OE1-NH2 3.23Å; E208-R301 VanDerWaalsContact OE1-NH2 3.15Å; E208-R301 IonicContact OE2-NH2 3.71Å; M297-R301 WeakPolarHBondContact O-CG 3.31Å; M297-R301 PolarHBondContact O-N 3.45Å; M297-R301 VanDerWaalsContact O-N 3.09Å; E298-R301 PolarHBondContact O-N 3.16Å; E298-R301 IonicContact OE2-NH1 2.65Å; R301-L303 PolarHBondContact O-N 3.19Å; R301-Y304 WeakPolarHBondContact O-CB 3.28Å; R301-Y304 PolarHBondContact O-N 3.42Å; R301-V305 PolarHBondContact O-N 3.49Å |
| 302 | Q | 97 | Very high | 97.2 | Very high | 111 Ų | 111 | 52.7 Ų | 52.7 | 52% | 0.519 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -60.3 | -46.5 | 176.7 | -68.2 | 174.2 | 4.8 | 0 | 0 | 111.6 | E298 Y304 V305 Y306 | E298-Q302 WeakPolarHBondContact O-CG 3.18Å; E298-Q302 PolarHBondContact O-N 3.38Å; E298-Q302 PolarHBondContact OE1-NE2 3.19Å; Q302-Y304 VanDerWaalsContact C-N 3.27Å; Q302-Y304 PolarHBondContact O-N 3.44Å; Q302-V305 PolarHBondContact O-N 3.07Å; Q302-Y306 PolarHBondContact O-N 2.93Å; Q302-Y306 VanDerWaalsContact O-N 3.09Å |
| 303 | L | 98 | Very high | 97 | Very high | 3 Ų | 3 | 47.7 Ų | 47.7 | 2% | 0.016 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59.3 | -38.8 | 176.1 | 175.6 | 63.4 | 0 | 0 | 0 | 111.9 | W134 Y138 L175 V177 A198 M201 Q299 R301 Y306 S307 | W134-L303 HydrophobicContact CH2-CD1 3.92Å; W134-L303 HydrophobicContact CZ2-CD1 3.91Å; Y138-L303 HydrophobicContact CE1-CD1 3.76Å; Y138-L303 HydrophobicContact CE1-CD2 4.46Å; Y138-L303 HydrophobicContact CE1-CG 4.27Å; Y138-L303 HydrophobicContact CE2-CD2 4.49Å; Y138-L303 WeakPolarHBondContact OH-CD2 3.24Å; Y138-L303 VanDerWaalsContact OH-CG 3.22Å; Y138-L303 WeakPolarHBondContact OH-CG 3.3Å; L175-L303 HydrophobicContact CD2-CD1 3.77Å; L175-L303 HydrophobicContact CD2-CD2 3.8Å; L175-L303 HydrophobicContact CD2-CG 4.22Å; V177-L303 HydrophobicContact CG1-CD1 3.71Å; A198-L303 HydrophobicContact CB-CD2 3.84Å; M201-L303 HydrophobicContact CB-CD2 3.79Å; M201-L303 HydrophobicContact CE-CB 4.46Å; M201-L303 HydrophobicContact CE-CD2 4.12Å; M201-L303 HydrophobicContact SD-CD2 3.99Å; Q299-L303 VanDerWaalsContact O-CB 3.25Å; Q299-L303 WeakPolarHBondContact O-CB 3.31Å; Q299-L303 PolarHBondContact O-N 3.45Å; R301-L303 PolarHBondContact O-N 3.19Å; L303-Y306 HydrophobicContact CD1-CD1 4.23Å; L303-S307 WeakPolarHBondContact O-CB 3.45Å; L303-S307 PolarHBondContact O-N 3.35Å; L303-S307 PolarHBondContact O-OG 3.31Å |
| 304 | Y | 97.8 | Very high | 95.8 | Very high | 30 Ų | 30 | 55.9 Ų | 55.9 | 12% | 0.118 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -67.5 | -43 | 178.6 | 175.6 | -93.9 | 0 | 0 | 0 | 113.1 | E146 Y202 L205 K209 C300 R301 Q302 Y306 S307 K308 | E146-Y304 WeakPolarHBondContact OE1-CE2 3.35Å; E146-Y304 PolarHBondContact OE1-OH 3.24Å; Y202-Y304 HydrophobicContact CD2-CD2 4.02Å; Y202-Y304 AromaticContact CE2-CD2 3.8Å; Y202-Y304 HydrophobicContact CE2-CD2 3.8Å; Y202-Y304 AromaticContact CE2-CE2 3.97Å; Y202-Y304 HydrophobicContact CE2-CE2 3.97Å; L205-Y304 HydrophobicContact CD2-CD1 3.93Å; L205-Y304 HydrophobicContact CD2-CD2 3.74Å; L205-Y304 HydrophobicContact CD2-CG 3.3Å; K209-Y304 HydrophobicContact CD-CE1 4.2Å; K209-Y304 HydrophobicContact CD-CE2 4Å; K209-Y304 WeakPolarHBondContact CE-OH 3.17Å; C300-Y304 WeakPolarHBondContact O-CB 3.46Å; C300-Y304 PolarHBondContact O-N 3.15Å; R301-Y304 WeakPolarHBondContact O-CB 3.28Å; R301-Y304 PolarHBondContact O-N 3.42Å; Q302-Y304 VanDerWaalsContact C-N 3.27Å; Q302-Y304 PolarHBondContact O-N 3.44Å; Y304-Y306 VanDerWaalsContact C-N 3.34Å; Y304-Y306 PolarHBondContact O-N 2.72Å; Y304-S307 PolarHBondContact O-N 3.27Å; Y304-S307 VanDerWaalsContact O-N 3.09Å; Y304-K308 HydrophobicContact CD1-CG 4.21Å; Y304-K308 HydrophobicContact CE1-CD 4.28Å; Y304-K308 HydrophobicContact CE1-CG 3.72Å; Y304-K308 HydrophobicContact CE2-CD 4.21Å; Y304-K308 HydrophobicContact CE2-CG 4.19Å; Y304-K308 WeakPolarHBondContact O-CG 3.2Å; Y304-K308 PolarHBondContact O-N 2.5Å |
| 305 | V | 97.3 | Very high | 95.7 | Very high | 102 Ų | 102 | 58.7 Ų | 58.7 | 62% | 0.618 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -58.5 | -48.7 | 174.5 | 173.5 | 0 | 0 | 0 | 0 | 110.3 | R301 Q302 S307 K308 A309 | R301-V305 PolarHBondContact O-N 3.49Å; Q302-V305 PolarHBondContact O-N 3.07Å; V305-S307 VanDerWaalsContact C-N 3.26Å; V305-S307 PolarHBondContact O-N 3.34Å; V305-K308 PolarHBondContact O-N 3.32Å; V305-A309 PolarHBondContact O-N 3.35Å |
| 306 | Y | 97.7 | Very high | 95.7 | Very high | 40 Ų | 40 | 58 Ų | 58 | 16% | 0.157 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -55.7 | -43.2 | 173.5 | 162.4 | -94.5 | 0 | 0 | 0 | 111.9 | W134 L139 V177 I180 D181 Q302 L303 Y304 A309 A310 | W134-Y306 AromaticContact CZ2-CE1 3.95Å; W134-Y306 HydrophobicContact CZ2-CE1 3.95Å; W134-Y306 AromaticContact NE1-CE1 3.6Å; W134-Y306 AromaticContact NE1-CZ 3.86Å; W134-Y306 PolarHBondContact NE1-OH 2.74Å; L139-Y306 HydrophobicContact CD2-CE1 3.95Å; V177-Y306 HydrophobicContact CB-CD1 3.88Å; V177-Y306 HydrophobicContact CB-CD2 3.69Å; V177-Y306 HydrophobicContact CB-CE1 4.16Å; V177-Y306 HydrophobicContact CB-CE2 3.99Å; V177-Y306 HydrophobicContact CB-CG 3.63Å; V177-Y306 HydrophobicContact CG1-CD1 3.76Å; V177-Y306 HydrophobicContact CG1-CD2 4.46Å; V177-Y306 HydrophobicContact CG1-CE1 4.19Å; V177-Y306 HydrophobicContact CG1-CG 3.9Å; V177-Y306 HydrophobicContact CG2-CD2 3.84Å; V177-Y306 HydrophobicContact CG2-CG 3.84Å; I180-Y306 WeakPolarHBondContact CG2-OH 3.49Å; D181-Y306 PolarHBondContact OD2-OH 3.49Å; Q302-Y306 PolarHBondContact O-N 2.93Å; Q302-Y306 VanDerWaalsContact O-N 3.09Å; L303-Y306 HydrophobicContact CD1-CD1 4.23Å; Y304-Y306 VanDerWaalsContact C-N 3.34Å; Y304-Y306 PolarHBondContact O-N 2.72Å; Y306-A309 PolarHBondContact O-N 3.48Å; Y306-A310 HydrophobicContact CE1-CB 4.27Å; Y306-A310 HydrophobicContact CE2-CB 4.36Å; Y306-A310 VanDerWaalsContact O-CB 3.24Å; Y306-A310 WeakPolarHBondContact O-CB 3.39Å; Y306-A310 PolarHBondContact O-N 2.99Å |
| 307 | S | 98.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -69.9 | -35.3 | -175.9 | -56.8 | 0 | 0 | 0 | 0 | 113 | Y138 L303 Y304 V305 C311 | Y138-S307 VanDerWaalsContact CE1-OG 3.28Å; Y138-S307 WeakPolarHBondContact CE1-OG 3.25Å; Y138-S307 PolarHBondContact OH-OG 2.93Å; L303-S307 WeakPolarHBondContact O-CB 3.45Å; L303-S307 PolarHBondContact O-N 3.35Å; L303-S307 PolarHBondContact O-OG 3.31Å; Y304-S307 PolarHBondContact O-N 3.27Å; Y304-S307 VanDerWaalsContact O-N 3.09Å; V305-S307 VanDerWaalsContact C-N 3.26Å; V305-S307 PolarHBondContact O-N 3.34Å; S307-C311 VanDerWaalsContact O-CB 3.24Å; S307-C311 WeakPolarHBondContact O-CB 3.25Å; S307-C311 PolarHBondContact O-N 2.76Å; S307-C311 PolarHBondContact O-SG 3.14Å; S307-C311 VanDerWaalsContact O-SG 3.36Å |
| 308 | K | 97.7 | Very high | 95.5 | Very high | 34 Ų | 34 | 58.4 Ų | 58.4 | 15% | 0.148 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63 | -47 | 174.6 | -71.5 | -71.3 | -68 | -174.7 | 0 | 111 | E146 Y304 V305 C311 N312 L313 | E146-K308 IonicContact OE2-NZ 2.64Å; E146-K308 PolarHBondContact OE2-NZ 2.99Å; Y304-K308 HydrophobicContact CD1-CG 4.21Å; Y304-K308 HydrophobicContact CE1-CD 4.28Å; Y304-K308 HydrophobicContact CE1-CG 3.72Å; Y304-K308 HydrophobicContact CE2-CD 4.21Å; Y304-K308 HydrophobicContact CE2-CG 4.19Å; Y304-K308 WeakPolarHBondContact O-CG 3.2Å; Y304-K308 PolarHBondContact O-N 2.5Å; V305-K308 PolarHBondContact O-N 3.32Å; K308-C311 PolarHBondContact O-N 3.09Å; K308-N312 PolarHBondContact O-N 3.29Å; K308-L313 HydrophobicContact CD-CB 3.83Å; K308-L313 HydrophobicContact CD-CD1 4.06Å; K308-L313 WeakPolarHBondContact CE-O 3.31Å; K308-L313 PolarHBondContact NZ-O 2.84Å; K308-L313 PolarHBondContact O-N 3.09Å |
| 309 | A | 97.1 | Very high | 95.4 | Very high | 50 Ų | 50 | 55.8 Ų | 55.8 | 41% | 0.413 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63 | -50.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | V305 Y306 C311 N312 | V305-A309 PolarHBondContact O-N 3.35Å; Y306-A309 PolarHBondContact O-N 3.48Å; A309-C311 PolarHBondContact O-N 3.12Å; A309-N312 PolarHBondContact O-N 3.26Å; A309-N312 VanDerWaalsContact O-N 3.07Å |
| 310 | A | 97.2 | Very high | 95.3 | Very high | 13 Ų | 13 | 55.9 Ų | 55.9 | 11% | 0.107 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.8 | -31.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | F91 H130 L139 Y306 | F91-A310 VanDerWaalsContact CE2-O 3.25Å; F91-A310 WeakPolarHBondContact CE2-O 3.24Å; H130-A310 PolarHBondContact NE2-O 3.32Å; L139-A310 HydrophobicContact CD1-CB 4.2Å; L139-A310 HydrophobicContact CD2-CB 3.9Å; Y306-A310 HydrophobicContact CE1-CB 4.27Å; Y306-A310 HydrophobicContact CE2-CB 4.36Å; Y306-A310 VanDerWaalsContact O-CB 3.24Å; Y306-A310 WeakPolarHBondContact O-CB 3.39Å; Y306-A310 PolarHBondContact O-N 2.99Å |
| 311 | C | 97.4 | Very high | 95.1 | Very high | 5 Ų | 5 | 59.8 Ų | 59.8 | 3% | 0.034 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | 4.4 | 178.4 | -66.5 | 0 | 0 | 0 | 0 | 114.2 | F91 L139 A143 S307 K308 A309 L313 | F91-C311 HydrophobicContact CZ-CB 4.45Å; L139-C311 PolarHBondContact O-SG 3.32Å; A143-C311 HydrophobicContact CB-CB 4.12Å; S307-C311 VanDerWaalsContact O-CB 3.24Å; S307-C311 WeakPolarHBondContact O-CB 3.25Å; S307-C311 PolarHBondContact O-N 2.76Å; S307-C311 PolarHBondContact O-SG 3.14Å; S307-C311 VanDerWaalsContact O-SG 3.36Å; K308-C311 PolarHBondContact O-N 3.09Å; A309-C311 PolarHBondContact O-N 3.12Å; C311-L313 HydrophobicContact CB-CD1 3.51Å; C311-L313 HydrophobicContact CB-CD2 4.48Å; C311-L313 HydrophobicContact CB-CG 3.57Å; C311-L313 PolarHBondContact O-N 3.48Å |
| 312 | N | 94.2 | Very high | 94.9 | Very high | 136 Ų | 136 | 56.7 Ų | 56.7 | 73% | 0.727 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.4 | 52.3 | -173.8 | -58.9 | -47.9 | 0 | 0 | 0 | 112.4 | K308 A309 | K308-N312 PolarHBondContact O-N 3.29Å; A309-N312 PolarHBondContact O-N 3.26Å; A309-N312 VanDerWaalsContact O-N 3.07Å |
| 313 | L | 92.9 | Very high | 94.7 | Very high | 25 Ų | 25 | 52.2 Ų | 52.2 | 13% | 0.131 | 29% | 0.29 | C | S | . | . | trans | -108.9 | 12.1 | -176.2 | -61.8 | 171.1 | 0 | 0 | 0 | 113.8 | V142 E146 K147 K308 C311 | V142-L313 HydrophobicContact CG1-CD1 4.14Å; E146-L313 HydrophobicContact CB-CD1 3.81Å; E146-L313 HydrophobicContact CB-CD2 4.3Å; E146-L313 HydrophobicContact CG-CD1 3.74Å; K147-L313 HydrophobicContact CD-CD2 4.46Å; K147-L313 HydrophobicContact CG-CD2 4.07Å; K308-L313 HydrophobicContact CD-CB 3.83Å; K308-L313 HydrophobicContact CD-CD1 4.06Å; K308-L313 WeakPolarHBondContact CE-O 3.31Å; K308-L313 PolarHBondContact NZ-O 2.84Å; K308-L313 PolarHBondContact O-N 3.09Å; C311-L313 HydrophobicContact CB-CD1 3.51Å; C311-L313 HydrophobicContact CB-CD2 4.48Å; C311-L313 HydrophobicContact CB-CG 3.57Å; C311-L313 PolarHBondContact O-N 3.48Å | ||
| 314 | D | 71 | Confident | 94.4 | Very high | 188 Ų | 188 | 56.6 Ų | 56.6 | 100% | 1.005 | 31% | 0.314 | S | S | * | . | trans | -77.7 | 0 | 178.7 | -62.9 | -31.2 | 0 | 0 | 0 | 112.4 |
Retrieved 314 of 314 residues in 608.6 ms
(Link to these results)