| 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 | 40.8 | Very low | 32.6 | Very low | 138 Ų | 138 | 103 Ų | 103 | 68% | 0.68 | 60% | 0.601 | S | S | * | * | 0 | 108.8 | 0 | -69.2 | -170.3 | -162.2 | 0 | 0 | 107.4 | V3 K54 A63 | M1-V3 VanDerWaalsContact C-N 3.31Å; M1-V3 PolarHBondContact O-N 3.47Å; M1-V3 VanDerWaalsContact O-N 3.08Å; M1-K54 HydrophobicContact CE-CB 3.84Å; M1-K54 HydrophobicContact SD-CB 4.11Å; M1-K54 HydrophobicContact SD-CD 4.34Å; M1-A63 HydrophobicContact SD-CB 4.21Å | |||
| 2 | D | 32 | Very low | 32.6 | Very low | 176 Ų | 176 | 102.4 Ų | 102.4 | 94% | 0.941 | 59% | 0.592 | S | S | * | * | trans | -85 | 71 | -179.5 | -72.6 | -26.6 | 0 | 0 | 0 | 111.1 | ||||
| 3 | V | 33.6 | Very low | 32.6 | Very low | 41 Ų | 41 | 98.1 Ų | 98.1 | 25% | 0.248 | 56% | 0.564 | C | S | . | * | trans | -106.3 | 129 | 174.2 | -174.8 | 0 | 0 | 0 | 0 | 108 | M1 V5 W70 | M1-V3 VanDerWaalsContact C-N 3.31Å; M1-V3 PolarHBondContact O-N 3.47Å; M1-V3 VanDerWaalsContact O-N 3.08Å; V3-V5 WeakPolarHBondContact O-CG2 3.23Å; V3-V5 PolarHBondContact O-N 3.45Å; V3-W70 HydrophobicContact CG1-CB 4Å; V3-W70 HydrophobicContact CG1-CG 3.77Å | ||
| 4 | P | 27.7 | Very low | 32.9 | Very low | 130 Ų | 130 | 97.5 Ų | 97.5 | 84% | 0.844 | 57% | 0.568 | S | S | * | * | trans | -65.8 | 103.8 | 172.8 | 24.7 | -30.1 | 0 | 0 | 0 | 109.1 | ||||
| 5 | V | 29.9 | Very low | 32.9 | Very low | 68 Ų | 68 | 94.5 Ų | 94.5 | 41% | 0.412 | 56% | 0.555 | S | S | . | * | trans | -93.1 | 112.9 | 178.8 | -176.4 | 0 | 0 | 0 | 0 | 108.6 | V3 A7 I72 | V3-V5 WeakPolarHBondContact O-CG2 3.23Å; V3-V5 PolarHBondContact O-N 3.45Å; V5-A7 PolarHBondContact O-N 2.87Å; V5-I72 HydrophobicContact CG2-CD1 3.63Å; V5-I72 HydrophobicContact CG2-CG1 4.06Å | ||
| 6 | K | 29.1 | Very low | 33.2 | Very low | 191 Ų | 191 | 92.8 Ų | 92.8 | 83% | 0.83 | 54% | 0.538 | S | S | * | . | trans | -74.6 | 112.9 | 153.7 | -108.5 | -174.9 | 174.8 | -172.7 | 0 | 106.3 | M8 | K6-M8 VanDerWaalsContact C-N 3.34Å; K6-M8 PolarHBondContact O-N 3.21Å | ||
| 7 | A | 29.8 | Very low | 33.5 | Very low | 100 Ų | 100 | 93.4 Ų | 93.4 | 83% | 0.826 | 54% | 0.544 | S | S | * | . | trans | -65.6 | 94.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | V5 | V5-A7 PolarHBondContact O-N 2.87Š| ||
| 8 | M | 32.9 | Very low | 33.7 | Very low | 99 Ų | 99 | 89.2 Ų | 89.2 | 49% | 0.488 | 52% | 0.524 | S | S | . | . | trans | -84.3 | 108.6 | 165.5 | -118.7 | 179 | -158.4 | 0 | 0 | 106.9 | K6 M10 L68 | K6-M8 VanDerWaalsContact C-N 3.34Å; K6-M8 PolarHBondContact O-N 3.21Å; M8-M10 VanDerWaalsContact C-N 3.34Å; M8-M10 PolarHBondContact O-N 3.21Å; M8-L68 HydrophobicContact CE-CD1 4.13Å; M8-L68 HydrophobicContact SD-CD1 3.92Å | ||
| 9 | G | 33 | Very low | 34.1 | Very low | 62 Ų | 62 | 96 Ų | 96 | 64% | 0.639 | 54% | 0.54 | S | S | * | . | trans | -66 | 91.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 10 | M | 34.8 | Very low | 34.6 | Very low | 72 Ų | 72 | 96.3 Ų | 96.3 | 36% | 0.355 | 54% | 0.535 | S | S | . | . | trans | -83.4 | 113.6 | 172.4 | -75.4 | -174.6 | 67.5 | 0 | 0 | 109.7 | M8 Y45 I71 | M8-M10 VanDerWaalsContact C-N 3.34Å; M8-M10 PolarHBondContact O-N 3.21Å; M10-Y45 HydrophobicContact CE-CD2 3.8Å; M10-Y45 HydrophobicContact CE-CE2 3.86Å; M10-I71 HydrophobicContact SD-CD1 3.79Å; M10-I71 HydrophobicContact SD-CG1 4.49Å | ||
| 11 | T | 34.6 | Very low | 35.1 | Very low | 56 Ų | 56 | 92.6 Ų | 92.6 | 34% | 0.344 | 51% | 0.514 | S | S | . | . | trans | -95.7 | 108.8 | 164.5 | -55.9 | 0 | 0 | 0 | 0 | 108 | M13 | T11-M13 HydrophobicContact CG2-CG 3.92Š| ||
| 12 | I | 32.5 | Very low | 35.3 | Very low | 96 Ų | 96 | 90.2 Ų | 90.2 | 49% | 0.492 | 50% | 0.501 | S | S | . | . | trans | -79 | 118.9 | 174.7 | -67.3 | 170 | 0 | 0 | 0 | 108.3 | L42 Y45 | I12-L42 HydrophobicContact CG2-CB 4.27Å; I12-L42 HydrophobicContact CG2-CD1 3.47Å; I12-L42 VanDerWaalsContact CG2-CD1 3.47Å; I12-L42 HydrophobicContact CG2-CD2 3.82Å; I12-L42 HydrophobicContact CG2-CG 4.04Å; I12-Y45 HydrophobicContact CD1-CE2 4.36Å | ||
| 13 | M | 33.6 | Very low | 36.1 | Very low | 46 Ų | 46 | 89.6 Ų | 89.6 | 23% | 0.227 | 49% | 0.49 | C | S | . | . | trans | -130.9 | 133 | 171.9 | -61.2 | -150.5 | -48.6 | 0 | 0 | 110.7 | T11 F16 M21 | T11-M13 HydrophobicContact CG2-CG 3.92Å; M13-F16 HydrophobicContact CE-CB 3.59Å; M13-F16 HydrophobicContact CE-CG 4.47Å; M13-M21 HydrophobicContact CE-CE 3.77Å; M13-M21 HydrophobicContact CE-CG 4.32Å; M13-M21 HydrophobicContact CE-SD 3Å; M13-M21 WeakPolarHBondContact CE-SD 3.49Å; M13-M21 HydrophobicContact SD-CE 3.56Å; M13-M21 VanDerWaalsContact SD-CE 3.56Å; M13-M21 HydrophobicContact SD-SD 3.6Å | ||
| 14 | S | 35.7 | Very low | 36.9 | Very low | 90 Ų | 90 | 89.7 Ų | 89.7 | 63% | 0.629 | 49% | 0.488 | S | S | * | . | S | Bend | trans | -92.4 | -17.9 | -173.5 | 53.2 | 0 | 0 | 0 | 0 | 115.1 | ||
| 15 | S | 33.9 | Very low | 37.8 | Very low | 52 Ų | 52 | 86 Ų | 86 | 36% | 0.364 | 46% | 0.459 | S | S | . | . | S | Bend | trans | -138.3 | -8.1 | -172.2 | 75.9 | 0 | 0 | 0 | 0 | 118.3 | T91 E96 | S15-T91 PolarHBondContact OG-OG1 2.83Å; S15-E96 PolarHBondContact OG-OE2 3.32Å |
| 16 | F | 36.6 | Very low | 38.6 | Very low | 67 Ų | 67 | 90.8 Ų | 90.8 | 29% | 0.294 | 47% | 0.474 | S | S | . | . | S | Bend | trans | -84 | 134.2 | -177.4 | -92.9 | -92.3 | 0 | 0 | 0 | 113 | M13 G18 T91 V222 | M13-F16 HydrophobicContact CE-CB 3.59Å; M13-F16 HydrophobicContact CE-CG 4.47Å; F16-G18 PolarHBondContact O-N 3.29Å; F16-T91 HydrophobicContact CE2-CG2 3.92Å; F16-V222 HydrophobicContact CE1-CG1 3.95Å; F16-V222 HydrophobicContact CZ-CG1 4.16Å |
| 17 | T | 39.1 | Very low | 39.4 | Very low | 103 Ų | 103 | 82.1 Ų | 82.1 | 63% | 0.632 | 44% | 0.437 | S | S | * | . | trans | -56.3 | 96.5 | 174.8 | 44.1 | 0 | 0 | 0 | 0 | 110.2 | R19 K20 | T17-R19 PolarHBondContact O-N 3.26Å; T17-K20 PolarHBondContact O-N 3.2Å | ||
| 18 | G | 37.5 | Very low | 40.1 | Very low | 18 Ų | 18 | 82.4 Ų | 82.4 | 19% | 0.186 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -53.5 | -20.5 | -167.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | F16 Q22 | F16-G18 PolarHBondContact O-N 3.29Å; G18-Q22 WeakPolarHBondContact O-CB 3Å; G18-Q22 WeakPolarHBondContact O-CG 3.47Å; G18-Q22 PolarHBondContact O-N 2.74Å |
| 19 | R | 41.2 | Very low | 40.6 | Very low | 219 Ų | 219 | 79.6 Ų | 79.6 | 83% | 0.826 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -66.2 | -37.8 | 174.4 | -66.8 | -171.8 | -165.1 | -169.1 | 4.7 | 113.6 | T17 | T17-R19 PolarHBondContact O-N 3.26Å |
| 20 | K | 43.9 | Very low | 41.2 | Very low | 102 Ų | 102 | 79 Ų | 79 | 44% | 0.443 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -69.6 | -42.2 | -178.4 | -143.6 | 179.7 | -168.5 | -174.2 | 0 | 109.8 | T17 K23 D220 | T17-K20 PolarHBondContact O-N 3.2Å; K20-K23 PolarHBondContact O-N 2.89Å; K20-D220 WeakPolarHBondContact CE-OD1 3.37Å; K20-D220 IonicContact NZ-OD1 2.94Å; K20-D220 PolarHBondContact NZ-OD1 2.9Å; K20-D220 IonicContact NZ-OD2 3.43Å |
| 21 | M | 44.9 | Very low | 41.6 | Very low | 18 Ų | 18 | 78.2 Ų | 78.2 | 9% | 0.089 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -73.4 | -31.9 | 178.5 | -120.8 | -161.5 | -175.3 | 0 | 0 | 114.1 | M13 K23 E24 F25 L226 | M13-M21 HydrophobicContact CE-CE 3.77Å; M13-M21 HydrophobicContact CE-CG 4.32Å; M13-M21 HydrophobicContact CE-SD 3Å; M13-M21 WeakPolarHBondContact CE-SD 3.49Å; M13-M21 HydrophobicContact SD-CE 3.56Å; M13-M21 VanDerWaalsContact SD-CE 3.56Å; M13-M21 HydrophobicContact SD-SD 3.6Å; M21-K23 PolarHBondContact O-N 3.47Å; M21-E24 WeakPolarHBondContact O-CA 3.26Å; M21-E24 WeakPolarHBondContact O-CB 3.41Å; M21-E24 PolarHBondContact O-N 3.34Å; M21-F25 HydrophobicContact CB-CD2 4.35Å; M21-F25 HydrophobicContact CB-CE2 4.21Å; M21-F25 HydrophobicContact CE-CE2 4.22Å; M21-F25 HydrophobicContact CE-CZ 4.26Å; M21-F25 HydrophobicContact CG-CD2 4.36Å; M21-F25 HydrophobicContact CG-CE2 3.9Å; M21-F25 VanDerWaalsContact O-CD2 3.23Å; M21-F25 WeakPolarHBondContact O-CD2 3.42Å; M21-F25 PolarHBondContact O-N 3.47Å; M21-F25 HydrophobicContact SD-CD2 4.35Å; M21-F25 HydrophobicContact SD-CE2 3.38Å; M21-F25 WeakPolarHBondContact SD-CE2 3.48Å; M21-F25 HydrophobicContact SD-CZ 3.97Å; M21-L226 HydrophobicContact CE-CD1 3.45Å; M21-L226 VanDerWaalsContact CE-CD1 3.45Å; M21-L226 HydrophobicContact CE-CD2 3.58Å; M21-L226 HydrophobicContact CE-CG 4.08Å; M21-L226 HydrophobicContact CG-CD1 4.18Å |
| 22 | Q | 45.3 | Very low | 42.1 | Very low | 88 Ų | 88 | 85.4 Ų | 85.4 | 41% | 0.411 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -55.6 | -39.8 | 173.9 | -91.9 | -174.3 | -4.9 | 0 | 0 | 112.7 | G18 E24 K26 L39 | G18-Q22 WeakPolarHBondContact O-CB 3Å; G18-Q22 WeakPolarHBondContact O-CG 3.47Å; G18-Q22 PolarHBondContact O-N 2.74Å; Q22-E24 PolarHBondContact O-N 3.02Å; Q22-K26 WeakPolarHBondContact O-CB 3.44Å; Q22-K26 WeakPolarHBondContact O-CG 3.11Å; Q22-K26 PolarHBondContact O-N 3.5Å; Q22-K26 VanDerWaalsContact O-N 3.15Å; Q22-L39 HydrophobicContact CG-CD2 4.42Å |
| 23 | K | 47.5 | Very low | 42.6 | Very low | 163 Ų | 163 | 85.2 Ų | 85.2 | 71% | 0.709 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -62.5 | -36.3 | 174.8 | -82.7 | -173.5 | 173.5 | -174.7 | 0 | 111.8 | K20 M21 K26 | K20-K23 PolarHBondContact O-N 2.89Å; M21-K23 PolarHBondContact O-N 3.47Å; K23-K26 PolarHBondContact O-N 3.28Å |
| 24 | E | 50.4 | Low | 43.2 | Very low | 43 Ų | 43 | 86.3 Ų | 86.3 | 20% | 0.201 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -74.3 | -38 | -178.1 | -63.6 | -62 | 177.8 | 0 | 0 | 113.2 | M21 Q22 K26 S27 R227 | M21-E24 WeakPolarHBondContact O-CA 3.26Å; M21-E24 WeakPolarHBondContact O-CB 3.41Å; M21-E24 PolarHBondContact O-N 3.34Å; Q22-E24 PolarHBondContact O-N 3.02Å; E24-K26 VanDerWaalsContact C-N 3.27Å; E24-K26 PolarHBondContact O-N 3.39Å; E24-S27 VanDerWaalsContact O-CB 3.3Å; E24-S27 WeakPolarHBondContact O-CB 3.4Å; E24-S27 PolarHBondContact O-N 3.39Å; E24-R227 IonicContact OE1-NH1 3.57Å; E24-R227 PolarHBondContact OE1-NH1 2.84Å; E24-R227 IonicContact OE2-CZ 2.7Å; E24-R227 IonicContact OE2-NH1 3.74Å; E24-R227 PolarHBondContact OE2-NH1 3.3Å |
| 25 | F | 47.7 | Very low | 43.6 | Very low | 53 Ų | 53 | 86.2 Ų | 86.2 | 23% | 0.232 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -71.3 | -21 | 172 | -71.4 | -74.1 | 0 | 0 | 0 | 113.1 | M21 S27 F30 | M21-F25 HydrophobicContact CB-CD2 4.35Å; M21-F25 HydrophobicContact CB-CE2 4.21Å; M21-F25 HydrophobicContact CE-CE2 4.22Å; M21-F25 HydrophobicContact CE-CZ 4.26Å; M21-F25 HydrophobicContact CG-CD2 4.36Å; M21-F25 HydrophobicContact CG-CE2 3.9Å; M21-F25 VanDerWaalsContact O-CD2 3.23Å; M21-F25 WeakPolarHBondContact O-CD2 3.42Å; M21-F25 PolarHBondContact O-N 3.47Å; M21-F25 HydrophobicContact SD-CD2 4.35Å; M21-F25 HydrophobicContact SD-CE2 3.38Å; M21-F25 WeakPolarHBondContact SD-CE2 3.48Å; M21-F25 HydrophobicContact SD-CZ 3.97Å; F25-S27 VanDerWaalsContact C-N 3.3Å; F25-F30 HydrophobicContact CB-CE2 4.16Å; F25-F30 AromaticContact CD1-CE2 3.76Å; F25-F30 HydrophobicContact CD1-CE2 3.76Å; F25-F30 AromaticContact CD1-CZ 3.98Å; F25-F30 HydrophobicContact CD1-CZ 3.98Å; F25-F30 HydrophobicContact CG-CE2 4.46Å; F25-F30 WeakPolarHBondContact O-CD2 3.25Å; F25-F30 WeakPolarHBondContact O-CE2 3.48Å |
| 26 | K | 46.4 | Very low | 44.5 | Very low | 169 Ų | 169 | 86.4 Ų | 86.4 | 74% | 0.735 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | 6.7 | 173.7 | -71.1 | -176.2 | 178.8 | -171 | 0 | 113.8 | Q22 K23 E24 | Q22-K26 WeakPolarHBondContact O-CB 3.44Å; Q22-K26 WeakPolarHBondContact O-CG 3.11Å; Q22-K26 PolarHBondContact O-N 3.5Å; Q22-K26 VanDerWaalsContact O-N 3.15Å; K23-K26 PolarHBondContact O-N 3.28Å; E24-K26 VanDerWaalsContact C-N 3.27Å; E24-K26 PolarHBondContact O-N 3.39Å |
| 27 | S | 45.6 | Very low | 45.2 | Very low | 8 Ų | 8 | 88.6 Ų | 88.6 | 6% | 0.056 | 46% | 0.462 | C | S | . | . | S | Bend | trans | -59.4 | 140.6 | 176.1 | 175 | 0 | 0 | 0 | 0 | 110.8 | E24 F25 N29 F30 Q312 | E24-S27 VanDerWaalsContact O-CB 3.3Å; E24-S27 WeakPolarHBondContact O-CB 3.4Å; E24-S27 PolarHBondContact O-N 3.39Å; F25-S27 VanDerWaalsContact C-N 3.3Å; S27-N29 PolarHBondContact O-N 2.88Å; S27-F30 PolarHBondContact O-N 2.71Å; S27-F30 VanDerWaalsContact O-N 3.08Å; S27-Q312 PolarHBondContact OG-OE1 3.37Å |
| 28 | P | 44.2 | Very low | 46.1 | Very low | 107 Ų | 107 | 87.9 Ų | 87.9 | 70% | 0.695 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -9.5 | 178.3 | 23.4 | -33.5 | 0 | 0 | 0 | 114.3 | F30 | P28-F30 PolarHBondContact O-N 3.15Š|
| 29 | N | 45.1 | Very low | 47.1 | Very low | 39 Ų | 39 | 89.4 Ų | 89.4 | 21% | 0.209 | 46% | 0.461 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | 13 | 173.7 | -62.8 | -27.6 | 0 | 0 | 0 | 113.9 | S27 G309 | S27-N29 PolarHBondContact O-N 2.88Å; N29-G309 WeakPolarHBondContact ND2-CA 3.46Å; N29-G309 PolarHBondContact ND2-O 3.24Å; N29-G309 WeakPolarHBondContact OD1-CA 3.25Å |
| 30 | F | 44.1 | Very low | 48.2 | Very low | 50 Ų | 50 | 80.6 Ų | 80.6 | 22% | 0.219 | 43% | 0.43 | C | S | . | . | S | Bend | trans | -70.3 | 131.8 | 167.1 | -123 | -98 | 0 | 0 | 0 | 108.7 | F25 S27 P28 E32 V34 V36 | F25-F30 HydrophobicContact CB-CE2 4.16Å; F25-F30 AromaticContact CD1-CE2 3.76Å; F25-F30 HydrophobicContact CD1-CE2 3.76Å; F25-F30 AromaticContact CD1-CZ 3.98Å; F25-F30 HydrophobicContact CD1-CZ 3.98Å; F25-F30 HydrophobicContact CG-CE2 4.46Å; F25-F30 WeakPolarHBondContact O-CD2 3.25Å; F25-F30 WeakPolarHBondContact O-CE2 3.48Å; S27-F30 PolarHBondContact O-N 2.71Å; S27-F30 VanDerWaalsContact O-N 3.08Å; P28-F30 PolarHBondContact O-N 3.15Å; F30-E32 PolarHBondContact O-N 3.01Å; F30-V34 HydrophobicContact CD1-CB 3.9Å; F30-V34 WeakPolarHBondContact CD1-O 3.47Å; F30-V34 HydrophobicContact CE1-CB 3.52Å; F30-V34 HydrophobicContact CE1-CG1 3.68Å; F30-V34 WeakPolarHBondContact CE1-O 3.35Å; F30-V36 HydrophobicContact CE1-CG2 4.13Å; F30-V36 HydrophobicContact CZ-CG2 3.8Å |
| 31 | P | 44.8 | Very low | 48.6 | Very low | 55 Ų | 55 | 82.5 Ų | 82.5 | 36% | 0.357 | 44% | 0.435 | S | S | . | . | trans | -54.4 | 131.8 | 162.7 | 23.8 | -29.9 | 0 | 0 | 0 | 106.8 | A33 V34 | P31-A33 HydrophobicContact CB-CB 4.48Å; P31-A33 PolarHBondContact O-N 3.45Å; P31-V34 PolarHBondContact O-N 3.4Å; P31-V34 VanDerWaalsContact O-N 3.07Å | ||
| 32 | E | 44.5 | Very low | 49.5 | Very low | 207 Ų | 207 | 84.4 Ų | 84.4 | 97% | 0.967 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.3 | -21.8 | 175.1 | -76.4 | -177.8 | 148 | 0 | 0 | 112.2 | F30 V34 | F30-E32 PolarHBondContact O-N 3.01Å; E32-V34 PolarHBondContact O-N 3.08Å |
| 33 | A | 42 | Very low | 50.6 | Low | 92 Ų | 92 | 84.9 Ų | 84.9 | 76% | 0.76 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | -13.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | P31 | P31-A33 HydrophobicContact CB-CB 4.48Å; P31-A33 PolarHBondContact O-N 3.45Å |
| 34 | V | 46.9 | Very low | 51.7 | Low | 69 Ų | 69 | 80.6 Ų | 80.6 | 42% | 0.418 | 43% | 0.433 | S | S | . | . | trans | -130 | 77.7 | -177.5 | -171.5 | 0 | 0 | 0 | 0 | 111.4 | F30 P31 E32 V36 | F30-V34 HydrophobicContact CD1-CB 3.9Å; F30-V34 WeakPolarHBondContact CD1-O 3.47Å; F30-V34 HydrophobicContact CE1-CB 3.52Å; F30-V34 HydrophobicContact CE1-CG1 3.68Å; F30-V34 WeakPolarHBondContact CE1-O 3.35Å; P31-V34 PolarHBondContact O-N 3.4Å; P31-V34 VanDerWaalsContact O-N 3.07Å; E32-V34 PolarHBondContact O-N 3.08Å; V34-V36 PolarHBondContact O-N 3.41Å; V34-V36 VanDerWaalsContact O-N 3.16Å | ||
| 35 | S | 44.5 | Very low | 52.7 | Low | 88 Ų | 88 | 80.3 Ų | 80.3 | 62% | 0.615 | 43% | 0.43 | S | S | * | . | trans | -67.9 | 117 | 168 | 70.3 | 0 | 0 | 0 | 0 | 109.4 | D37 | S35-D37 PolarHBondContact O-N 3.05Å; S35-D37 VanDerWaalsContact O-N 3.14Å; S35-D37 PolarHBondContact OG-OD1 3.42Å | ||
| 36 | V | 51.4 | Low | 54.1 | Low | 57 Ų | 57 | 86.6 Ų | 86.6 | 35% | 0.345 | 45% | 0.453 | S | S | . | . | trans | -79.7 | 94.3 | 166.1 | -178.3 | 0 | 0 | 0 | 0 | 107.1 | F30 V34 | F30-V36 HydrophobicContact CE1-CG2 4.13Å; F30-V36 HydrophobicContact CZ-CG2 3.8Å; V34-V36 PolarHBondContact O-N 3.41Å; V34-V36 VanDerWaalsContact O-N 3.16Å | ||
| 37 | D | 51.9 | Low | 55.6 | Low | 113 Ų | 113 | 83.5 Ų | 83.5 | 60% | 0.604 | 45% | 0.445 | S | S | * | . | trans | -68.6 | -38.2 | -179 | -58.4 | -39.2 | 0 | 0 | 0 | 111.3 | S35 | S35-D37 PolarHBondContact O-N 3.05Å; S35-D37 VanDerWaalsContact O-N 3.14Å; S35-D37 PolarHBondContact OG-OD1 3.42Å | ||
| 38 | V | 58.2 | Low | 57.1 | Low | 87 Ų | 87 | 86.2 Ų | 86.2 | 53% | 0.527 | 46% | 0.456 | S | S | . | . | trans | -145.3 | 136.2 | -174.7 | -179.6 | 0 | 0 | 0 | 0 | 110.7 | I40 | V38-I40 HydrophobicContact CG1-CG1 3.84Š| ||
| 39 | L | 59.1 | Low | 58.8 | Low | 51 Ų | 51 | 82.5 Ų | 82.5 | 27% | 0.267 | 43% | 0.431 | S | S | . | . | trans | -105.2 | 115.6 | 168.1 | -167.8 | 90.4 | 0 | 0 | 0 | 108.8 | Q22 | Q22-L39 HydrophobicContact CG-CD2 4.42Š| ||
| 40 | I | 62.9 | Low | 60.6 | Low | 33 Ų | 33 | 83.1 Ų | 83.1 | 17% | 0.169 | 44% | 0.436 | C | S | . | . | trans | -100.6 | 126.4 | 178.6 | -55.4 | 175.9 | 0 | 0 | 0 | 108.1 | V38 H44 F48 L68 | V38-I40 HydrophobicContact CG1-CG1 3.84Å; I40-H44 HydrophobicContact CG2-CB 3.99Å; I40-F48 HydrophobicContact CD1-CD1 4.07Å; I40-F48 HydrophobicContact CD1-CD2 4.1Å; I40-F48 HydrophobicContact CD1-CE1 4.18Å; I40-F48 HydrophobicContact CD1-CE2 4.23Å; I40-F48 HydrophobicContact CD1-CG 4.04Å; I40-F48 HydrophobicContact CD1-CZ 4.27Å; I40-F48 HydrophobicContact CG1-CE2 4.38Å; I40-F48 HydrophobicContact CG2-CD2 3.6Å; I40-F48 HydrophobicContact CG2-CE2 3.73Å; I40-F48 HydrophobicContact CG2-CG 4.44Å; I40-L68 HydrophobicContact CD1-CD1 4.27Å | ||
| 41 | R | 53.2 | Low | 62.3 | Low | 143 Ų | 143 | 90.2 Ų | 90.2 | 54% | 0.54 | 47% | 0.47 | S | S | . | . | trans | -75.2 | 152.8 | 174.2 | -76.6 | -174.1 | -96.9 | 156.7 | -8.4 | 110.4 | D43 H44 Y45 | R41-D43 VanDerWaalsContact C-N 3.26Å; R41-D43 WeakPolarHBondContact CB-OD1 3.17Å; R41-D43 IonicContact NH1-OD2 3.84Å; R41-D43 PolarHBondContact NH1-OD2 2.87Å; R41-D43 PolarHBondContact O-N 2.69Å; R41-H44 PolarHBondContact O-N 2.93Å; R41-Y45 PolarHBondContact O-N 2.9Å | ||
| 42 | L | 63.9 | Low | 64.2 | Low | 58 Ų | 58 | 92.3 Ų | 92.3 | 30% | 0.304 | 48% | 0.475 | S | S | . | . | G | 310 helix | trans | -64.1 | -30.1 | -175.6 | -175.6 | 58.8 | 0 | 0 | 0 | 113.3 | I12 H44 Y45 | I12-L42 HydrophobicContact CG2-CB 4.27Å; I12-L42 HydrophobicContact CG2-CD1 3.47Å; I12-L42 VanDerWaalsContact CG2-CD1 3.47Å; I12-L42 HydrophobicContact CG2-CD2 3.82Å; I12-L42 HydrophobicContact CG2-CG 4.04Å; L42-H44 PolarHBondContact O-N 2.88Å; L42-Y45 HydrophobicContact CD1-CG 4.21Å; L42-Y45 WeakPolarHBondContact O-CB 3.4Å; L42-Y45 PolarHBondContact O-N 3.01Å |
| 43 | D | 69.3 | Low | 66.1 | Low | 98 Ų | 98 | 86.3 Ų | 86.3 | 52% | 0.524 | 45% | 0.448 | S | S | . | . | G | 310 helix | trans | -59.1 | -33.8 | 172.6 | 53.2 | -6.5 | 0 | 0 | 0 | 112.3 | R41 | R41-D43 VanDerWaalsContact C-N 3.26Å; R41-D43 WeakPolarHBondContact CB-OD1 3.17Å; R41-D43 IonicContact NH1-OD2 3.84Å; R41-D43 PolarHBondContact NH1-OD2 2.87Å; R41-D43 PolarHBondContact O-N 2.69Å |
| 44 | H | 70 | Confident | 68 | Low | 73 Ų | 73 | 86.3 Ų | 86.3 | 34% | 0.338 | 43% | 0.431 | S | S | . | . | G | 310 helix | trans | -86 | -5.6 | 174.2 | -68.3 | -63.5 | 0 | 0 | 0 | 113.8 | I40 R41 L42 Y46 D47 F48 | I40-H44 HydrophobicContact CG2-CB 3.99Å; R41-H44 PolarHBondContact O-N 2.93Å; L42-H44 PolarHBondContact O-N 2.88Å; H44-Y46 PolarHBondContact O-N 3.03Å; H44-D47 WeakPolarHBondContact CA-OD2 3.38Å; H44-D47 IonicContact CE1-OD2 3.35Å; H44-D47 IonicContact CG-OD2 2.96Å; H44-D47 IonicContact ND1-OD2 3.28Å; H44-D47 PolarHBondContact ND1-OD2 3.37Å; H44-D47 WeakPolarHBondContact O-CA 3.38Å; H44-D47 VanDerWaalsContact O-CB 3.32Å; H44-D47 WeakPolarHBondContact O-CB 3.45Å; H44-D47 PolarHBondContact O-N 3.04Å; H44-F48 HydrophobicContact CB-CD2 4.12Å; H44-F48 HydrophobicContact CB-CE2 4.03Å; H44-F48 VanDerWaalsContact O-CD2 3.29Å; H44-F48 WeakPolarHBondContact O-CD2 3.46Å; H44-F48 PolarHBondContact O-N 2.95Å |
| 45 | Y | 71.3 | Confident | 69.5 | Low | 37 Ų | 37 | 91.2 Ų | 91.2 | 15% | 0.145 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -54.1 | -43.9 | -174.8 | -179.8 | -98.8 | 0 | 0 | 0 | 112.1 | M10 I12 R41 L42 D47 F48 V49 | M10-Y45 HydrophobicContact CE-CD2 3.8Å; M10-Y45 HydrophobicContact CE-CE2 3.86Å; I12-Y45 HydrophobicContact CD1-CE2 4.36Å; R41-Y45 PolarHBondContact O-N 2.9Å; L42-Y45 HydrophobicContact CD1-CG 4.21Å; L42-Y45 WeakPolarHBondContact O-CB 3.4Å; L42-Y45 PolarHBondContact O-N 3.01Å; Y45-D47 VanDerWaalsContact C-N 3.29Å; Y45-D47 PolarHBondContact O-N 3.24Å; Y45-F48 PolarHBondContact O-N 3.14Å; Y45-V49 HydrophobicContact CD1-CG2 4.19Å; Y45-V49 HydrophobicContact CD2-CG2 4.22Å; Y45-V49 HydrophobicContact CE1-CB 4.38Å; Y45-V49 HydrophobicContact CE1-CG2 3.78Å; Y45-V49 HydrophobicContact CE2-CG2 3.82Å; Y45-V49 HydrophobicContact CG-CG2 4.4Å; Y45-V49 WeakPolarHBondContact O-CB 3.42Å; Y45-V49 WeakPolarHBondContact O-CG2 3.4Å; Y45-V49 PolarHBondContact O-N 3.16Å |
| 46 | Y | 76.4 | Confident | 70.8 | Confident | 185 Ų | 185 | 91.2 Ų | 91.2 | 73% | 0.725 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -76.7 | -12.3 | 178.7 | -60.8 | -71.7 | 0 | 0 | 0 | 114 | H44 | H44-Y46 PolarHBondContact O-N 3.03Å |
| 47 | D | 79.2 | Confident | 71.5 | Confident | 104 Ų | 104 | 98.2 Ų | 98.2 | 56% | 0.556 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -77.7 | -26.4 | 169.8 | -58.4 | -29.9 | 0 | 0 | 0 | 111.4 | H44 Y45 | H44-D47 WeakPolarHBondContact CA-OD2 3.38Å; H44-D47 IonicContact CE1-OD2 3.35Å; H44-D47 IonicContact CG-OD2 2.96Å; H44-D47 IonicContact ND1-OD2 3.28Å; H44-D47 PolarHBondContact ND1-OD2 3.37Å; H44-D47 WeakPolarHBondContact O-CA 3.38Å; H44-D47 VanDerWaalsContact O-CB 3.32Å; H44-D47 WeakPolarHBondContact O-CB 3.45Å; H44-D47 PolarHBondContact O-N 3.04Å; Y45-D47 VanDerWaalsContact C-N 3.29Å; Y45-D47 PolarHBondContact O-N 3.24Å |
| 48 | F | 75.8 | Confident | 72.1 | Confident | 64 Ų | 64 | 95.7 Ų | 95.7 | 28% | 0.281 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -97.9 | -32.1 | -176.3 | -79.7 | -84.7 | 0 | 0 | 0 | 113.7 | I40 H44 Y45 S66 L67 | I40-F48 HydrophobicContact CD1-CD1 4.07Å; I40-F48 HydrophobicContact CD1-CD2 4.1Å; I40-F48 HydrophobicContact CD1-CE1 4.18Å; I40-F48 HydrophobicContact CD1-CE2 4.23Å; I40-F48 HydrophobicContact CD1-CG 4.04Å; I40-F48 HydrophobicContact CD1-CZ 4.27Å; I40-F48 HydrophobicContact CG1-CE2 4.38Å; I40-F48 HydrophobicContact CG2-CD2 3.6Å; I40-F48 HydrophobicContact CG2-CE2 3.73Å; I40-F48 HydrophobicContact CG2-CG 4.44Å; H44-F48 HydrophobicContact CB-CD2 4.12Å; H44-F48 HydrophobicContact CB-CE2 4.03Å; H44-F48 VanDerWaalsContact O-CD2 3.29Å; H44-F48 WeakPolarHBondContact O-CD2 3.46Å; H44-F48 PolarHBondContact O-N 2.95Å; Y45-F48 PolarHBondContact O-N 3.14Å; F48-S66 CarbonylContact O-C 3.08Å; F48-S66 WeakPolarHBondContact O-CA 3.13Å; F48-S66 VanDerWaalsContact O-CB 3.28Å; F48-S66 WeakPolarHBondContact O-CB 3.35Å; F48-L67 HydrophobicContact CD1-CD1 4.47Å; F48-L67 PolarHBondContact O-N 3.29Å |
| 49 | V | 80.5 | Confident | 72.3 | Confident | 29 Ų | 29 | 97.9 Ų | 97.9 | 18% | 0.176 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 133.5 | -179.8 | 169.9 | 0 | 0 | 0 | 0 | 109.9 | Y45 I64 I71 | Y45-V49 HydrophobicContact CD1-CG2 4.19Å; Y45-V49 HydrophobicContact CD2-CG2 4.22Å; Y45-V49 HydrophobicContact CE1-CB 4.38Å; Y45-V49 HydrophobicContact CE1-CG2 3.78Å; Y45-V49 HydrophobicContact CE2-CG2 3.82Å; Y45-V49 HydrophobicContact CG-CG2 4.4Å; Y45-V49 WeakPolarHBondContact O-CB 3.42Å; Y45-V49 WeakPolarHBondContact O-CG2 3.4Å; Y45-V49 PolarHBondContact O-N 3.16Å; V49-I64 HydrophobicContact CB-CG2 4.49Å; V49-I64 HydrophobicContact CG1-CG2 3.34Å; V49-I64 HydrophobicContact CG2-CG2 4.47Å; V49-I71 HydrophobicContact CG2-CD1 4.27Å |
| 50 | T | 82 | Confident | 72.9 | Confident | 52 Ų | 52 | 99.5 Ų | 99.5 | 32% | 0.319 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 174 | 175.8 | 74.6 | 0 | 0 | 0 | 0 | 110.9 | E52 R65 L67 | T50-E52 PolarHBondContact O-N 2.97Å; T50-E52 PolarHBondContact OG1-N 3.04Å; T50-R65 PolarHBondContact N-O 2.91Å; T50-R65 WeakPolarHBondContact OG1-CB 3.39Å; T50-R65 PolarHBondContact OG1-O 3.47Å; T50-R65 VanDerWaalsContact OG1-O 3.11Å; T50-L67 HydrophobicContact CG2-CD2 4.43Å |
| 51 | E | 79.6 | Confident | 73.3 | Confident | 199 Ų | 199 | 99.4 Ų | 99.4 | 93% | 0.93 | 47% | 0.467 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.2 | -12.3 | 178.6 | -60.6 | -178.6 | 176.7 | 0 | 0 | 113.3 | M53 | E51-M53 PolarHBondContact O-N 3.47Å |
| 52 | E | 85.7 | Confident | 74.5 | Confident | 99 Ų | 99 | 94.5 Ų | 94.5 | 46% | 0.463 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 114.2 | -177.3 | -170.2 | -169.9 | 177.7 | 0 | 0 | 110.5 | T50 R65 W70 | T50-E52 PolarHBondContact O-N 2.97Å; T50-E52 PolarHBondContact OG1-N 3.04Å; E52-R65 HydrophobicContact CB-CB 3.82Å; E52-R65 HydrophobicContact CB-CG 4.44Å; E52-R65 HydrophobicContact CG-CB 4.37Å; E52-R65 WeakPolarHBondContact O-CB 3.49Å; E52-R65 PolarHBondContact O-N 3.1Å; E52-W70 HydrophobicContact CG-CH2 3.86Å; E52-W70 WeakPolarHBondContact OE1-CH2 3.31Å; E52-W70 WeakPolarHBondContact OE1-CZ2 3.46Å |
| 53 | M | 84.6 | Confident | 75.2 | Confident | 81 Ų | 81 | 91.9 Ų | 91.9 | 40% | 0.399 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 132.3 | -177.6 | -174.8 | -177.6 | -65.9 | 0 | 0 | 110.2 | E51 R55 I62 A63 I64 | E51-M53 PolarHBondContact O-N 3.47Å; M53-R55 HydrophobicContact CG-CG 4.08Å; M53-R55 HydrophobicContact SD-CG 3.92Å; M53-R55 PolarHBondContact SD-NE 3.19Å; M53-R55 PolarHBondContact SD-NH2 2.97Å; M53-I62 HydrophobicContact CG-CG2 3.43Å; M53-I62 VanDerWaalsContact CG-CG2 3.43Å; M53-I62 HydrophobicContact SD-CG2 3.7Å; M53-A63 CarbonylContact C-O 3.6Å; M53-A63 WeakPolarHBondContact CA-O 3.28Å; M53-I64 HydrophobicContact CE-CD1 3.95Å; M53-I64 HydrophobicContact CE-CG1 4.01Å; M53-I64 HydrophobicContact CG-CG1 4.26Å |
| 54 | K | 82.2 | Confident | 75.9 | Confident | 93 Ų | 93 | 87.9 Ų | 87.9 | 40% | 0.404 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 110.9 | 171.5 | -64.6 | -176.9 | 178.4 | -179.4 | 0 | 109 | M1 A63 W70 | M1-K54 HydrophobicContact CE-CB 3.84Å; M1-K54 HydrophobicContact SD-CB 4.11Å; M1-K54 HydrophobicContact SD-CD 4.34Å; K54-A63 HydrophobicContact CB-CB 4.33Å; K54-A63 PolarHBondContact N-O 3.41Å; K54-A63 PolarHBondContact O-N 3.21Å; K54-W70 HydrophobicContact CD-CH2 3.95Å; K54-W70 HydrophobicContact CD-CZ2 4.5Å; K54-W70 HydrophobicContact CD-CZ3 4.29Å; K54-W70 HydrophobicContact CG-CH2 3.99Å; K54-W70 HydrophobicContact CG-CZ3 4.12Å |
| 55 | R | 78.6 | Confident | 76.5 | Confident | 172 Ų | 172 | 88.7 Ų | 88.7 | 65% | 0.649 | 42% | 0.417 | S | S | * | . | trans | -108.9 | 139 | 168 | -63.9 | -172.5 | 175.4 | 170.7 | 2.7 | 108 | M53 I62 | M53-R55 HydrophobicContact CG-CG 4.08Å; M53-R55 HydrophobicContact SD-CG 3.92Å; M53-R55 PolarHBondContact SD-NE 3.19Å; M53-R55 PolarHBondContact SD-NH2 2.97Å; R55-I62 HydrophobicContact CG-CB 4.42Å; R55-I62 HydrophobicContact CG-CD1 4.15Å; R55-I62 HydrophobicContact CG-CG1 3.98Å; R55-I62 HydrophobicContact CG-CG2 3.73Å | ||
| 56 | D | 71.4 | Confident | 76.9 | Confident | 87 Ų | 87 | 87.2 Ų | 87.2 | 47% | 0.465 | 41% | 0.412 | S | S | . | . | trans | -96.1 | 156 | 159.5 | -175.2 | 23.6 | 0 | 0 | 0 | 107.9 | S58 | D56-S58 PolarHBondContact O-N 2.87Å; D56-S58 VanDerWaalsContact OD2-CB 3.26Å; D56-S58 WeakPolarHBondContact OD2-CB 3.48Å; D56-S58 PolarHBondContact OD2-OG 2.92Å | ||
| 57 | E | 66 | Low | 77.1 | Confident | 204 Ų | 204 | 84.2 Ų | 84.2 | 95% | 0.953 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -70.5 | -18.3 | 177.1 | -68.6 | -172.4 | 166.7 | 0 | 0 | 112.3 | ||
| 58 | S | 64.8 | Low | 76.8 | Confident | 60 Ų | 60 | 84 Ų | 84 | 42% | 0.42 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -68.7 | 153.9 | 172.5 | -49.7 | 0 | 0 | 0 | 0 | 111.1 | D56 Q60 | D56-S58 PolarHBondContact O-N 2.87Å; D56-S58 VanDerWaalsContact OD2-CB 3.26Å; D56-S58 WeakPolarHBondContact OD2-CB 3.48Å; D56-S58 PolarHBondContact OD2-OG 2.92Å; S58-Q60 VanDerWaalsContact CB-CG 3.5Å; S58-Q60 PolarHBondContact O-N 3.48Å |
| 59 | E | 62.7 | Low | 76.6 | Confident | 134 Ų | 134 | 81.8 Ų | 81.8 | 63% | 0.626 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -64.8 | 42.4 | 171 | -66.3 | -164.8 | 145 | 0 | 0 | 113.7 | N77 | E59-N77 WeakPolarHBondContact CB-OD1 3.13Å; E59-N77 PolarHBondContact O-OD1 2.85Å |
| 60 | Q | 70 | Confident | 76.6 | Confident | 84 Ų | 84 | 82.5 Ų | 82.5 | 39% | 0.393 | 40% | 0.401 | S | S | . | . | P | Polyproline II helix | trans | -93.8 | 159.2 | -177.5 | -69.4 | -68.6 | -22.4 | 0 | 0 | 110.4 | S58 R75 | S58-Q60 VanDerWaalsContact CB-CG 3.5Å; S58-Q60 PolarHBondContact O-N 3.48Å; Q60-R75 CarbonylContact C-O 3.34Å |
| 61 | P | 72.1 | Confident | 76.2 | Confident | 32 Ų | 32 | 81.7 Ų | 81.7 | 21% | 0.208 | 39% | 0.394 | C | S | . | . | P | Polyproline II helix | trans | -67 | 146 | 177.3 | 28.6 | -34.5 | 0 | 0 | 0 | 110.9 | I72 R75 T76 | P61-I72 HydrophobicContact CB-CG2 3.6Å; P61-I72 HydrophobicContact CG-CG2 4.05Å; P61-R75 WeakPolarHBondContact CD-O 3.04Å; P61-T76 HydrophobicContact CG-CG2 4.2Å |
| 62 | I | 79.1 | Confident | 75.7 | Confident | 40 Ų | 40 | 76.4 Ų | 76.4 | 21% | 0.205 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 134.3 | -179.5 | -55.3 | 171.8 | 0 | 0 | 0 | 108.1 | M53 R55 I64 I72 C73 | M53-I62 HydrophobicContact CG-CG2 3.43Å; M53-I62 VanDerWaalsContact CG-CG2 3.43Å; M53-I62 HydrophobicContact SD-CG2 3.7Å; R55-I62 HydrophobicContact CG-CB 4.42Å; R55-I62 HydrophobicContact CG-CD1 4.15Å; R55-I62 HydrophobicContact CG-CG1 3.98Å; R55-I62 HydrophobicContact CG-CG2 3.73Å; I62-I64 HydrophobicContact CG2-CG1 4.02Å; I62-I72 CarbonylContact O-C 3.49Å; I62-I72 WeakPolarHBondContact O-CA 3.41Å; I62-C73 WeakPolarHBondContact CA-O 3.31Å; I62-C73 WeakPolarHBondContact CB-O 3.35Å; I62-C73 PolarHBondContact N-O 2.91Å; I62-C73 PolarHBondContact O-N 3.31Å; I62-C73 VanDerWaalsContact O-O 3.09Å |
| 63 | A | 78.9 | Confident | 75.1 | Confident | 3 Ų | 3 | 74 Ų | 74 | 3% | 0.025 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 121.4 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | M1 M53 K54 W70 I71 I72 | M1-A63 HydrophobicContact SD-CB 4.21Å; M53-A63 CarbonylContact C-O 3.6Å; M53-A63 WeakPolarHBondContact CA-O 3.28Å; K54-A63 HydrophobicContact CB-CB 4.33Å; K54-A63 PolarHBondContact N-O 3.41Å; K54-A63 PolarHBondContact O-N 3.21Å; A63-W70 HydrophobicContact CB-CE3 3.78Å; A63-W70 HydrophobicContact CB-CZ3 4.2Å; A63-I71 CarbonylContact C-O 3.56Å; A63-I71 WeakPolarHBondContact CA-O 3.46Å; A63-I72 HydrophobicContact CB-CG1 4.47Å |
| 64 | I | 82.5 | Confident | 74.3 | Confident | 13 Ų | 13 | 73 Ų | 73 | 7% | 0.067 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 128.1 | 177.4 | -54 | -176.6 | 0 | 0 | 0 | 108.1 | V49 M53 I62 I71 C73 | V49-I64 HydrophobicContact CB-CG2 4.49Å; V49-I64 HydrophobicContact CG1-CG2 3.34Å; V49-I64 HydrophobicContact CG2-CG2 4.47Å; M53-I64 HydrophobicContact CE-CD1 3.95Å; M53-I64 HydrophobicContact CE-CG1 4.01Å; M53-I64 HydrophobicContact CG-CG1 4.26Å; I62-I64 HydrophobicContact CG2-CG1 4.02Å; I64-I71 PolarHBondContact N-O 3.3Å; I64-I71 PolarHBondContact O-N 2.96Å; I64-C73 WeakPolarHBondContact CD1-SG 3.44Å |
| 65 | R | 82.2 | Confident | 73.5 | Confident | 90 Ų | 90 | 77.7 Ų | 77.7 | 34% | 0.34 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 134.3 | 174.8 | -175.4 | 68.2 | -177.4 | 175.1 | 1.9 | 109.4 | T50 E52 W70 | T50-R65 PolarHBondContact N-O 2.91Å; T50-R65 WeakPolarHBondContact OG1-CB 3.39Å; T50-R65 PolarHBondContact OG1-O 3.47Å; T50-R65 VanDerWaalsContact OG1-O 3.11Å; E52-R65 HydrophobicContact CB-CB 3.82Å; E52-R65 HydrophobicContact CB-CG 4.44Å; E52-R65 HydrophobicContact CG-CB 4.37Å; E52-R65 WeakPolarHBondContact O-CB 3.49Å; E52-R65 PolarHBondContact O-N 3.1Å; R65-W70 HydrophobicContact CB-CD2 4.42Å; R65-W70 HydrophobicContact CB-CE3 4.04Å; R65-W70 HydrophobicContact CB-CH2 4.02Å; R65-W70 HydrophobicContact CB-CZ2 4.39Å; R65-W70 HydrophobicContact CB-CZ3 3.83Å |
| 66 | S | 80.8 | Confident | 72.8 | Confident | 7 Ų | 7 | 73.6 Ų | 73.6 | 5% | 0.049 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 169.7 | 169.9 | 75.1 | 0 | 0 | 0 | 0 | 110 | F48 L68 G69 | F48-S66 CarbonylContact O-C 3.08Å; F48-S66 WeakPolarHBondContact O-CA 3.13Å; F48-S66 VanDerWaalsContact O-CB 3.28Å; F48-S66 WeakPolarHBondContact O-CB 3.35Å; S66-L68 PolarHBondContact O-N 2.92Å; S66-L68 VanDerWaalsContact O-N 3.12Å; S66-L68 PolarHBondContact OG-N 3.35Å; S66-G69 WeakPolarHBondContact CA-O 3.42Å; S66-G69 WeakPolarHBondContact CB-O 3.2Å; S66-G69 PolarHBondContact N-O 3.16Å; S66-G69 PolarHBondContact O-N 2.95Å; S66-G69 VanDerWaalsContact O-N 3.11Å; S66-G69 PolarHBondContact OG-N 3.48Å; S66-G69 PolarHBondContact OG-O 3.26Å |
| 67 | L | 79.5 | Confident | 72.3 | Confident | 121 Ų | 121 | 74 Ų | 74 | 63% | 0.634 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -21.1 | 172.3 | -62 | 178.2 | 0 | 0 | 0 | 113.2 | F48 T50 | F48-L67 HydrophobicContact CD1-CD1 4.47Å; F48-L67 PolarHBondContact O-N 3.29Å; T50-L67 HydrophobicContact CG2-CD2 4.43Å |
| 68 | L | 73.7 | Confident | 72 | Confident | 100 Ų | 100 | 71.9 Ų | 71.9 | 52% | 0.524 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | -2.7 | -179.1 | -60.7 | 176.6 | 0 | 0 | 0 | 113.5 | M8 I40 S66 | M8-L68 HydrophobicContact CE-CD1 4.13Å; M8-L68 HydrophobicContact SD-CD1 3.92Å; I40-L68 HydrophobicContact CD1-CD1 4.27Å; S66-L68 PolarHBondContact O-N 2.92Å; S66-L68 VanDerWaalsContact O-N 3.12Å; S66-L68 PolarHBondContact OG-N 3.35Å |
| 69 | G | 72 | Confident | 71.4 | Confident | 17 Ų | 17 | 74.6 Ų | 74.6 | 18% | 0.175 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 124.6 | -167.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113 | S66 | S66-G69 WeakPolarHBondContact CA-O 3.42Å; S66-G69 WeakPolarHBondContact CB-O 3.2Å; S66-G69 PolarHBondContact N-O 3.16Å; S66-G69 PolarHBondContact O-N 2.95Å; S66-G69 VanDerWaalsContact O-N 3.11Å; S66-G69 PolarHBondContact OG-N 3.48Å; S66-G69 PolarHBondContact OG-O 3.26Å |
| 70 | W | 79.4 | Confident | 70.9 | Confident | 44 Ų | 44 | 71 Ų | 71 | 17% | 0.167 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 127.5 | -178.5 | -69.7 | 97.8 | 0 | 0 | 0 | 111.1 | V3 E52 K54 A63 R65 | V3-W70 HydrophobicContact CG1-CB 4Å; V3-W70 HydrophobicContact CG1-CG 3.77Å; E52-W70 HydrophobicContact CG-CH2 3.86Å; E52-W70 WeakPolarHBondContact OE1-CH2 3.31Å; E52-W70 WeakPolarHBondContact OE1-CZ2 3.46Å; K54-W70 HydrophobicContact CD-CH2 3.95Å; K54-W70 HydrophobicContact CD-CZ2 4.5Å; K54-W70 HydrophobicContact CD-CZ3 4.29Å; K54-W70 HydrophobicContact CG-CH2 3.99Å; K54-W70 HydrophobicContact CG-CZ3 4.12Å; A63-W70 HydrophobicContact CB-CE3 3.78Å; A63-W70 HydrophobicContact CB-CZ3 4.2Å; R65-W70 HydrophobicContact CB-CD2 4.42Å; R65-W70 HydrophobicContact CB-CE3 4.04Å; R65-W70 HydrophobicContact CB-CH2 4.02Å; R65-W70 HydrophobicContact CB-CZ2 4.39Å; R65-W70 HydrophobicContact CB-CZ3 3.83Å |
| 71 | I | 73.9 | Confident | 69.9 | Low | 36 Ų | 36 | 74.6 Ų | 74.6 | 19% | 0.185 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 123 | 172.6 | -57.1 | 171.8 | 0 | 0 | 0 | 107.1 | M10 V49 A63 I64 | M10-I71 HydrophobicContact SD-CD1 3.79Å; M10-I71 HydrophobicContact SD-CG1 4.49Å; V49-I71 HydrophobicContact CG2-CD1 4.27Å; A63-I71 CarbonylContact C-O 3.56Å; A63-I71 WeakPolarHBondContact CA-O 3.46Å; I64-I71 PolarHBondContact N-O 3.3Å; I64-I71 PolarHBondContact O-N 2.96Å |
| 72 | I | 70.3 | Confident | 68.7 | Low | 87 Ų | 87 | 78 Ų | 78 | 45% | 0.446 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 124.9 | 173 | -60.8 | -162 | 0 | 0 | 0 | 108.9 | V5 P61 I62 A63 | V5-I72 HydrophobicContact CG2-CD1 3.63Å; V5-I72 HydrophobicContact CG2-CG1 4.06Å; P61-I72 HydrophobicContact CB-CG2 3.6Å; P61-I72 HydrophobicContact CG-CG2 4.05Å; I62-I72 CarbonylContact O-C 3.49Å; I62-I72 WeakPolarHBondContact O-CA 3.41Å; A63-I72 HydrophobicContact CB-CG1 4.47Å |
| 73 | C | 72 | Confident | 66.9 | Low | 48 Ų | 48 | 79.7 Ų | 79.7 | 32% | 0.324 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 144.6 | 179.9 | 68.3 | 0 | 0 | 0 | 0 | 111 | I62 I64 | I62-C73 WeakPolarHBondContact CA-O 3.31Å; I62-C73 WeakPolarHBondContact CB-O 3.35Å; I62-C73 PolarHBondContact N-O 2.91Å; I62-C73 PolarHBondContact O-N 3.31Å; I62-C73 VanDerWaalsContact O-O 3.09Å; I64-C73 WeakPolarHBondContact CD1-SG 3.44Å |
| 74 | G | 68.3 | Low | 65.2 | Low | 60 Ų | 60 | 84.8 Ų | 84.8 | 62% | 0.619 | 49% | 0.488 | S | S | * | . | S | Bend | trans | 134.6 | -175.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 75 | R | 65.6 | Low | 63.3 | Low | 193 Ų | 193 | 87.2 Ų | 87.2 | 73% | 0.728 | 52% | 0.517 | S | S | * | . | trans | -78.8 | 150 | 179.1 | -56.6 | -179.7 | 177.5 | -171.3 | -1.8 | 109.4 | Q60 P61 | Q60-R75 CarbonylContact C-O 3.34Å; P61-R75 WeakPolarHBondContact CD-O 3.04Å | ||
| 76 | T | 63.1 | Low | 61.2 | Low | 86 Ų | 86 | 88.6 Ų | 88.6 | 53% | 0.528 | 53% | 0.534 | S | S | . | . | trans | -118.7 | 140.5 | 171.3 | 54 | 0 | 0 | 0 | 0 | 108.4 | P61 E78 | P61-T76 HydrophobicContact CG-CG2 4.2Å; T76-E78 PolarHBondContact O-N 3.24Å | ||
| 77 | N | 62.3 | Low | 59.2 | Low | 95 Ų | 95 | 91 Ų | 91 | 51% | 0.508 | 55% | 0.547 | S | S | . | . | S | Bend | trans | -66.9 | -20 | 179.7 | -77.4 | -7.1 | 0 | 0 | 0 | 113.6 | E59 P79 | E59-N77 WeakPolarHBondContact CB-OD1 3.13Å; E59-N77 PolarHBondContact O-OD1 2.85Å; N77-P79 WeakPolarHBondContact O-CD 3.2Å |
| 78 | E | 58.8 | Low | 57.2 | Low | 160 Ų | 160 | 92.9 Ų | 92.9 | 75% | 0.748 | 55% | 0.55 | S | S | * | . | S | Bend | trans | -78.9 | 125.3 | 175.1 | -69.8 | -173.5 | 171.1 | 0 | 0 | 109.8 | T76 A80 | T76-E78 PolarHBondContact O-N 3.24Å; E78-A80 PolarHBondContact O-N 2.96Å |
| 79 | P | 53 | Low | 55.6 | Low | 116 Ų | 116 | 91.3 Ų | 91.3 | 75% | 0.753 | 54% | 0.544 | S | S | * | . | trans | -58.7 | 109.7 | 161.2 | 25 | -28.7 | 0 | 0 | 0 | 105.7 | N77 D81 | N77-P79 WeakPolarHBondContact O-CD 3.2Å; P79-D81 PolarHBondContact O-N 3.48Å | ||
| 80 | A | 51.2 | Low | 53.8 | Low | 59 Ų | 59 | 94.7 Ų | 94.7 | 49% | 0.488 | 56% | 0.561 | S | S | . | * | trans | -61.1 | 105.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | E78 S82 A83 | E78-A80 PolarHBondContact O-N 2.96Å; A80-S82 PolarHBondContact O-N 2.99Å; A80-A83 PolarHBondContact O-N 3.4Å | ||
| 81 | D | 50 | Low | 51.9 | Low | 159 Ų | 159 | 93.5 Ų | 93.5 | 85% | 0.85 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.9 | -21.3 | 164.5 | -83.9 | -21.2 | 0 | 0 | 0 | 110.4 | P79 | P79-D81 PolarHBondContact O-N 3.48Š|
| 82 | S | 46.1 | Very low | 50.3 | Low | 105 Ų | 105 | 98.3 Ų | 98.3 | 73% | 0.734 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.4 | 66.1 | 172.5 | -60.7 | 0 | 0 | 0 | 0 | 111.5 | A80 S84 | A80-S82 PolarHBondContact O-N 2.99Å; S82-S84 PolarHBondContact O-N 2.86Å |
| 83 | A | 42.1 | Very low | 49.1 | Very low | 75 Ų | 75 | 102.1 Ų | 102.1 | 62% | 0.62 | 60% | 0.597 | S | S | * | * | trans | -59.6 | 102.4 | 166 | 0 | 0 | 0 | 0 | 0 | 109.4 | A80 G85 | A80-A83 PolarHBondContact O-N 3.4Å; A83-G85 PolarHBondContact O-N 3.45Å | ||
| 84 | S | 43.2 | Very low | 48.1 | Very low | 110 Ų | 110 | 102.3 Ų | 102.3 | 77% | 0.769 | 60% | 0.599 | S | S | * | * | trans | -72.6 | 107.8 | 163.7 | -171.9 | 0 | 0 | 0 | 0 | 106.8 | S82 V86 | S82-S84 PolarHBondContact O-N 2.86Å; S84-V86 PolarHBondContact O-N 2.93Å | ||
| 85 | G | 41.9 | Very low | 47.1 | Very low | 64 Ų | 64 | 100.9 Ų | 100.9 | 66% | 0.66 | 58% | 0.578 | S | S | * | * | trans | -63.8 | 104.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | A83 L87 | A83-G85 PolarHBondContact O-N 3.45Å; G85-L87 PolarHBondContact O-N 3.36Å | ||
| 86 | V | 38.3 | Very low | 46.2 | Very low | 118 Ų | 118 | 95 Ų | 95 | 72% | 0.715 | 56% | 0.559 | S | S | * | * | trans | -72.5 | 119.6 | 166.3 | 179.3 | 0 | 0 | 0 | 0 | 107.3 | S84 K88 | S84-V86 PolarHBondContact O-N 2.93Å; V86-K88 PolarHBondContact O-N 2.91Å | ||
| 87 | L | 38.3 | Very low | 45.6 | Very low | 59 Ų | 59 | 94.4 Ų | 94.4 | 31% | 0.309 | 55% | 0.551 | S | S | . | * | trans | -66.9 | 78.1 | 170.1 | -115.8 | 158.2 | 0 | 0 | 0 | 109 | G85 V89 R229 | G85-L87 PolarHBondContact O-N 3.36Å; L87-V89 VanDerWaalsContact C-N 3.31Å; L87-V89 HydrophobicContact CD2-CG2 3.73Å; L87-V89 PolarHBondContact O-N 3.26Å; L87-R229 HydrophobicContact CD1-CB 3.74Å; L87-R229 WeakPolarHBondContact CD1-O 3.48Å; L87-R229 HydrophobicContact CD2-CB 3.74Å; L87-R229 HydrophobicContact CG-CB 3.95Å | ||
| 88 | K | 38.9 | Very low | 45.1 | Very low | 160 Ų | 160 | 91.2 Ų | 91.2 | 70% | 0.696 | 54% | 0.538 | S | S | * | . | trans | -79 | 87.1 | 168.8 | -171 | -174 | 177.6 | -173.9 | 0 | 108.1 | V86 T90 | V86-K88 PolarHBondContact O-N 2.91Å; K88-T90 VanDerWaalsContact C-N 3.32Å; K88-T90 WeakPolarHBondContact CE-OG1 3.39Å; K88-T90 PolarHBondContact O-N 2.99Å; K88-T90 VanDerWaalsContact O-N 3.13Å | ||
| 89 | V | 38.9 | Very low | 44.8 | Very low | 66 Ų | 66 | 84.9 Ų | 84.9 | 40% | 0.4 | 51% | 0.509 | S | S | . | . | trans | -78.3 | 91.7 | 162.4 | -173.5 | 0 | 0 | 0 | 0 | 106.5 | L87 T91 L226 | L87-V89 VanDerWaalsContact C-N 3.31Å; L87-V89 HydrophobicContact CD2-CG2 3.73Å; L87-V89 PolarHBondContact O-N 3.26Å; V89-T91 VanDerWaalsContact C-N 3.34Å; V89-T91 HydrophobicContact CG1-CG2 3.9Å; V89-T91 PolarHBondContact O-N 2.86Å; V89-L226 HydrophobicContact CG2-CD2 4.47Å | ||
| 90 | T | 35 | Very low | 44.7 | Very low | 88 Ų | 88 | 85.5 Ų | 85.5 | 54% | 0.54 | 50% | 0.499 | S | S | . | . | trans | -77.9 | 95.6 | 163 | -14.6 | 0 | 0 | 0 | 0 | 105.9 | K88 E92 | K88-T90 VanDerWaalsContact C-N 3.32Å; K88-T90 WeakPolarHBondContact CE-OG1 3.39Å; K88-T90 PolarHBondContact O-N 2.99Å; K88-T90 VanDerWaalsContact O-N 3.13Å; T90-E92 PolarHBondContact O-N 3.23Å; T90-E92 VanDerWaalsContact O-N 3.15Å | ||
| 91 | T | 38.7 | Very low | 44.7 | Very low | 20 Ų | 20 | 86.3 Ų | 86.3 | 12% | 0.123 | 49% | 0.49 | C | S | . | . | trans | -71.2 | 101.4 | 164.5 | 38 | 0 | 0 | 0 | 0 | 106.9 | S15 F16 V89 T95 E96 | S15-T91 PolarHBondContact OG-OG1 2.83Å; F16-T91 HydrophobicContact CE2-CG2 3.92Å; V89-T91 VanDerWaalsContact C-N 3.34Å; V89-T91 HydrophobicContact CG1-CG2 3.9Å; V89-T91 PolarHBondContact O-N 2.86Å; T91-T95 WeakPolarHBondContact CA-OG1 2.82Å; T91-E96 HydrophobicContact CG2-CB 3.83Å; T91-E96 HydrophobicContact CG2-CG 4.29Å | ||
| 92 | E | 41 | Very low | 44.8 | Very low | 136 Ų | 136 | 81.6 Ų | 81.6 | 64% | 0.636 | 46% | 0.464 | S | S | * | . | trans | -62.7 | 144.4 | 150.6 | -71.8 | -168.6 | 174.4 | 0 | 0 | 106.6 | T90 S94 T95 E96 | T90-E92 PolarHBondContact O-N 3.23Å; T90-E92 VanDerWaalsContact O-N 3.15Å; E92-S94 CarbonylContact O-C 3.58Å; E92-S94 PolarHBondContact O-N 3.2Å; E92-T95 PolarHBondContact N-OG1 3.25Å; E92-T95 PolarHBondContact O-N 2.79Å; E92-T95 PolarHBondContact O-OG1 3.37Å; E92-T95 VanDerWaalsContact O-OG1 3.07Å; E92-E96 PolarHBondContact O-N 3.35Å | ||
| 93 | E | 44.5 | Very low | 45.2 | Very low | 168 Ų | 168 | 77.9 Ų | 77.9 | 79% | 0.785 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -50.8 | -28.8 | -178.7 | -155 | 174.4 | -166 | 0 | 0 | 111.7 | M97 | E93-M97 WeakPolarHBondContact O-CE 3.26Å; E93-M97 WeakPolarHBondContact O-CG 3.26Å; E93-M97 PolarHBondContact O-N 2.96Å |
| 94 | S | 50.3 | Low | 45.5 | Very low | 52 Ų | 52 | 79.5 Ų | 79.5 | 36% | 0.364 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -63.7 | -48.8 | 170.9 | -172.7 | 0 | 0 | 0 | 0 | 114.3 | E92 M97 A98 E391 | E92-S94 CarbonylContact O-C 3.58Å; E92-S94 PolarHBondContact O-N 3.2Å; S94-M97 PolarHBondContact O-N 3.23Å; S94-A98 WeakPolarHBondContact O-CB 3.37Å; S94-A98 PolarHBondContact O-N 3.15Å; S94-E391 WeakPolarHBondContact CB-OE1 3.33Å; S94-E391 VanDerWaalsContact OG-CD 3.29Å; S94-E391 PolarHBondContact OG-OE1 2.92Å |
| 95 | T | 47.6 | Very low | 45.5 | Very low | 30 Ų | 30 | 79.2 Ų | 79.2 | 18% | 0.184 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -74.8 | -33.9 | -173.1 | 59 | 0 | 0 | 0 | 0 | 112.4 | T91 E92 A98 L99 | T91-T95 WeakPolarHBondContact CA-OG1 2.82Å; E92-T95 PolarHBondContact N-OG1 3.25Å; E92-T95 PolarHBondContact O-N 2.79Å; E92-T95 PolarHBondContact O-OG1 3.37Å; E92-T95 VanDerWaalsContact O-OG1 3.07Å; T95-A98 PolarHBondContact O-N 2.84Å; T95-L99 WeakPolarHBondContact O-CB 3.04Å; T95-L99 WeakPolarHBondContact O-CG 3.31Å; T95-L99 PolarHBondContact O-N 3.46Å |
| 96 | E | 47.6 | Very low | 45.4 | Very low | 70 Ų | 70 | 79.9 Ų | 79.9 | 33% | 0.327 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -61.4 | -46.9 | 172.2 | -169.9 | 178.3 | 146.2 | 0 | 0 | 110.7 | S15 T91 E92 A98 K100 | S15-E96 PolarHBondContact OG-OE2 3.32Å; T91-E96 HydrophobicContact CG2-CB 3.83Å; T91-E96 HydrophobicContact CG2-CG 4.29Å; E92-E96 PolarHBondContact O-N 3.35Å; E96-A98 VanDerWaalsContact C-N 3.33Å; E96-A98 PolarHBondContact O-N 3.14Å; E96-K100 VanDerWaalsContact O-CB 3.24Å; E96-K100 WeakPolarHBondContact O-CB 3.49Å; E96-K100 PolarHBondContact O-N 2.91Å |
| 97 | M | 49.7 | Very low | 45.5 | Very low | 73 Ų | 73 | 76.1 Ų | 76.1 | 36% | 0.36 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -63.3 | -38.8 | 173.9 | -76.6 | -168.2 | -76.7 | 0 | 0 | 111.9 | E93 S94 R101 | E93-M97 WeakPolarHBondContact O-CE 3.26Å; E93-M97 WeakPolarHBondContact O-CG 3.26Å; E93-M97 PolarHBondContact O-N 2.96Å; S94-M97 PolarHBondContact O-N 3.23Å; M97-R101 WeakPolarHBondContact O-CB 3.27Å; M97-R101 WeakPolarHBondContact O-CD 3.33Å; M97-R101 WeakPolarHBondContact O-CG 3.4Å; M97-R101 PolarHBondContact O-N 3.3Å; M97-R101 PolarHBondContact SD-NH2 2.85Å |
| 98 | A | 53.2 | Low | 45.4 | Very low | 28 Ų | 28 | 76.9 Ų | 76.9 | 23% | 0.231 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -65.4 | -46.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112 | S94 T95 E96 R101 L102 | S94-A98 WeakPolarHBondContact O-CB 3.37Å; S94-A98 PolarHBondContact O-N 3.15Å; T95-A98 PolarHBondContact O-N 2.84Å; E96-A98 VanDerWaalsContact C-N 3.33Å; E96-A98 PolarHBondContact O-N 3.14Å; A98-R101 PolarHBondContact O-N 3.1Å; A98-L102 WeakPolarHBondContact O-CB 3.49Å; A98-L102 PolarHBondContact O-N 2.81Å |
| 99 | L | 52.4 | Low | 45.1 | Very low | 27 Ų | 27 | 72.8 Ų | 72.8 | 14% | 0.141 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -62.7 | -51.7 | 175.7 | -78 | 162.3 | 0 | 0 | 0 | 111 | T95 R101 L102 W103 I378 L389 | T95-L99 WeakPolarHBondContact O-CB 3.04Å; T95-L99 WeakPolarHBondContact O-CG 3.31Å; T95-L99 PolarHBondContact O-N 3.46Å; L99-R101 PolarHBondContact O-N 3.36Å; L99-L102 PolarHBondContact O-N 3.13Å; L99-W103 HydrophobicContact CB-CE3 4.28Å; L99-W103 HydrophobicContact CB-CH2 3.87Å; L99-W103 HydrophobicContact CB-CZ2 4.2Å; L99-W103 HydrophobicContact CB-CZ3 3.85Å; L99-W103 HydrophobicContact CD1-CH2 4.42Å; L99-W103 HydrophobicContact CD2-CH2 3.54Å; L99-W103 HydrophobicContact CD2-CZ2 3.33Å; L99-W103 HydrophobicContact CD2-CZ3 4.38Å; L99-W103 HydrophobicContact CG-CH2 4.15Å; L99-W103 HydrophobicContact CG-CZ2 4.33Å; L99-W103 VanDerWaalsContact O-CG 3.23Å; L99-W103 PolarHBondContact O-N 2.99Å; L99-I378 HydrophobicContact CD2-CD1 3.5Å; L99-L389 HydrophobicContact CD1-CD1 3.93Å; L99-L389 HydrophobicContact CD2-CD1 3.86Å; L99-L389 HydrophobicContact CD2-CD2 3.71Å; L99-L389 HydrophobicContact CD2-CG 4.28Å; L99-L389 HydrophobicContact CG-CD1 3.63Å; L99-L389 HydrophobicContact CG-CD2 4.07Å; L99-L389 HydrophobicContact CG-CG 4.47Å |
| 100 | K | 50.6 | Low | 45.1 | Very low | 128 Ų | 128 | 72.1 Ų | 72.1 | 56% | 0.557 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -58.9 | -36.2 | 178.2 | -168.1 | 178 | 177.6 | -175.7 | 0 | 111.4 | E96 E104 | E96-K100 VanDerWaalsContact O-CB 3.24Å; E96-K100 WeakPolarHBondContact O-CB 3.49Å; E96-K100 PolarHBondContact O-N 2.91Å; K100-E104 WeakPolarHBondContact CE-OE1 3.42Å; K100-E104 HydrophobicContact CG-CG 4.47Å; K100-E104 VanDerWaalsContact O-CB 3.28Å; K100-E104 WeakPolarHBondContact O-CB 3.23Å; K100-E104 VanDerWaalsContact O-CG 3.25Å; K100-E104 WeakPolarHBondContact O-CG 3.29Å; K100-E104 PolarHBondContact O-N 3.22Å |
| 101 | R | 50.9 | Low | 45.1 | Very low | 77 Ų | 77 | 72.7 Ų | 72.7 | 29% | 0.291 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -77.4 | -39.4 | 177.8 | -75.2 | 171.2 | -176.1 | 148.7 | 3.9 | 114.1 | M97 A98 L99 W103 E104 L105 S448 R452 | M97-R101 WeakPolarHBondContact O-CB 3.27Å; M97-R101 WeakPolarHBondContact O-CD 3.33Å; M97-R101 WeakPolarHBondContact O-CG 3.4Å; M97-R101 PolarHBondContact O-N 3.3Å; M97-R101 PolarHBondContact SD-NH2 2.85Å; A98-R101 PolarHBondContact O-N 3.1Å; L99-R101 PolarHBondContact O-N 3.36Å; R101-W103 PolarHBondContact O-N 3.46Å; R101-E104 PolarHBondContact O-N 3.03Å; R101-L105 WeakPolarHBondContact O-CB 3.44Å; R101-L105 PolarHBondContact O-N 3.13Å; R101-S448 PolarHBondContact NH2-OG 2.95Å; R101-R452 VanDerWaalsContact NH1-CZ 3.32Å |
| 102 | L | 51.6 | Low | 45.1 | Very low | 60 Ų | 60 | 77.4 Ų | 77.4 | 31% | 0.314 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -55 | -42.5 | 171.8 | -165.4 | 93.4 | 0 | 0 | 0 | 108.9 | A98 L99 L105 D106 I378 | A98-L102 WeakPolarHBondContact O-CB 3.49Å; A98-L102 PolarHBondContact O-N 2.81Å; L99-L102 PolarHBondContact O-N 3.13Å; L102-L105 VanDerWaalsContact O-CB 3.3Å; L102-L105 WeakPolarHBondContact O-CB 3.41Å; L102-L105 PolarHBondContact O-N 3.28Å; L102-D106 PolarHBondContact O-N 3.29Å; L102-I378 HydrophobicContact CD2-CD1 4.15Å; L102-I378 HydrophobicContact CD2-CG1 3.45Å; L102-I378 VanDerWaalsContact CD2-CG1 3.45Å |
| 103 | W | 54.1 | Low | 45 | Very low | 27 Ų | 27 | 77.7 Ų | 77.7 | 10% | 0.102 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -84.8 | -28.5 | -179.8 | -56.1 | -27.1 | 0 | 0 | 0 | 114.4 | L99 R101 L105 D106 A107 L221 V222 L225 I378 | L99-W103 HydrophobicContact CB-CE3 4.28Å; L99-W103 HydrophobicContact CB-CH2 3.87Å; L99-W103 HydrophobicContact CB-CZ2 4.2Å; L99-W103 HydrophobicContact CB-CZ3 3.85Å; L99-W103 HydrophobicContact CD1-CH2 4.42Å; L99-W103 HydrophobicContact CD2-CH2 3.54Å; L99-W103 HydrophobicContact CD2-CZ2 3.33Å; L99-W103 HydrophobicContact CD2-CZ3 4.38Å; L99-W103 HydrophobicContact CG-CH2 4.15Å; L99-W103 HydrophobicContact CG-CZ2 4.33Å; L99-W103 VanDerWaalsContact O-CG 3.23Å; L99-W103 PolarHBondContact O-N 2.99Å; R101-W103 PolarHBondContact O-N 3.46Å; W103-L105 PolarHBondContact O-N 3.22Å; W103-D106 PolarHBondContact O-N 3.47Å; W103-A107 WeakPolarHBondContact O-CA 3.28Å; W103-A107 WeakPolarHBondContact O-CB 3.4Å; W103-A107 PolarHBondContact O-N 3.02Å; W103-L221 HydrophobicContact CB-CD2 4.24Å; W103-L221 HydrophobicContact CD2-CB 4.39Å; W103-L221 HydrophobicContact CD2-CD2 4.02Å; W103-L221 HydrophobicContact CD2-CG 4.28Å; W103-L221 HydrophobicContact CG-CD2 3.55Å; W103-L221 HydrophobicContact CG-CG 4.31Å; W103-L221 VanDerWaalsContact NE1-CD2 3.33Å; W103-V222 HydrophobicContact CE3-CG2 3.74Å; W103-V222 HydrophobicContact CH2-CB 4.24Å; W103-V222 HydrophobicContact CH2-CG1 4.16Å; W103-V222 HydrophobicContact CH2-CG2 4.01Å; W103-V222 HydrophobicContact CZ3-CB 3.91Å; W103-V222 HydrophobicContact CZ3-CG1 4.03Å; W103-V222 HydrophobicContact CZ3-CG2 3.21Å; W103-L225 HydrophobicContact CH2-CD1 3.68Å; W103-L225 HydrophobicContact CZ2-CD1 3.04Å; W103-I378 HydrophobicContact CZ2-CD1 3.82Å |
| 104 | E | 48.5 | Very low | 44.7 | Very low | 109 Ų | 109 | 73 Ų | 73 | 51% | 0.509 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -63.5 | -25.9 | 167.8 | -84.8 | 174.6 | -168.9 | 0 | 0 | 110.7 | K100 R101 V108 | K100-E104 WeakPolarHBondContact CE-OE1 3.42Å; K100-E104 HydrophobicContact CG-CG 4.47Å; K100-E104 VanDerWaalsContact O-CB 3.28Å; K100-E104 WeakPolarHBondContact O-CB 3.23Å; K100-E104 VanDerWaalsContact O-CG 3.25Å; K100-E104 WeakPolarHBondContact O-CG 3.29Å; K100-E104 PolarHBondContact O-N 3.22Å; R101-E104 PolarHBondContact O-N 3.03Å; E104-V108 WeakPolarHBondContact O-CG2 3.41Å; E104-V108 PolarHBondContact O-N 3.15Å |
| 105 | L | 42.6 | Very low | 44.3 | Very low | 104 Ų | 104 | 74.6 Ų | 74.6 | 55% | 0.545 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -74.4 | -36.5 | 171.8 | -104.6 | 157.2 | 0 | 0 | 0 | 113.1 | R101 L102 W103 V108 | R101-L105 WeakPolarHBondContact O-CB 3.44Å; R101-L105 PolarHBondContact O-N 3.13Å; L102-L105 VanDerWaalsContact O-CB 3.3Å; L102-L105 WeakPolarHBondContact O-CB 3.41Å; L102-L105 PolarHBondContact O-N 3.28Å; W103-L105 PolarHBondContact O-N 3.22Å; L105-V108 WeakPolarHBondContact O-CG2 3.3Å |
| 106 | D | 41.4 | Very low | 44.1 | Very low | 77 Ų | 77 | 82.8 Ų | 82.8 | 41% | 0.412 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -85 | -31.5 | 176.6 | -73.2 | -22.3 | 0 | 0 | 0 | 113 | L102 W103 V108 | L102-D106 PolarHBondContact O-N 3.29Å; W103-D106 PolarHBondContact O-N 3.47Å; D106-V108 PolarHBondContact O-N 3.46Å |
| 107 | A | 39.8 | Very low | 44.2 | Very low | 40 Ų | 40 | 83.3 Ų | 83.3 | 33% | 0.331 | 46% | 0.463 | S | S | . | . | S | Bend | trans | -81.5 | 5.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | W103 G109 I110 | W103-A107 WeakPolarHBondContact O-CA 3.28Å; W103-A107 WeakPolarHBondContact O-CB 3.4Å; W103-A107 PolarHBondContact O-N 3.02Å; A107-G109 VanDerWaalsContact C-N 3.34Å; A107-G109 PolarHBondContact O-N 2.96Å; A107-I110 CarbonylContact O-C 3.55Å; A107-I110 PolarHBondContact O-N 3.3Å |
| 108 | V | 36 | Very low | 44.5 | Very low | 75 Ų | 75 | 85.9 Ų | 85.9 | 46% | 0.455 | 48% | 0.479 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | 96.1 | 170.5 | -178.3 | 0 | 0 | 0 | 0 | 109 | E104 L105 D106 | E104-V108 WeakPolarHBondContact O-CG2 3.41Å; E104-V108 PolarHBondContact O-N 3.15Å; L105-V108 WeakPolarHBondContact O-CG2 3.3Å; D106-V108 PolarHBondContact O-N 3.46Å |
| 109 | G | 33.7 | Very low | 44.7 | Very low | 73 Ų | 73 | 87 Ų | 87 | 75% | 0.753 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 120.6 | -12.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | A107 | A107-G109 VanDerWaalsContact C-N 3.34Å; A107-G109 PolarHBondContact O-N 2.96Å |
| 110 | I | 37.4 | Very low | 45.5 | Very low | 52 Ų | 52 | 87.3 Ų | 87.3 | 27% | 0.267 | 49% | 0.491 | S | S | . | . | trans | -113.7 | 71.4 | 174.8 | -48.6 | 179.7 | 0 | 0 | 0 | 106.9 | A107 D112 P216 Q218 | A107-I110 CarbonylContact O-C 3.55Å; A107-I110 PolarHBondContact O-N 3.3Å; I110-D112 PolarHBondContact O-N 3.07Å; I110-D112 VanDerWaalsContact O-N 3.14Å; I110-P216 HydrophobicContact CG2-CB 3.55Å; I110-Q218 VanDerWaalsContact CD1-CD 3.41Å | ||
| 111 | T | 35.2 | Very low | 46.4 | Very low | 101 Ų | 101 | 83.6 Ų | 83.6 | 62% | 0.62 | 48% | 0.481 | S | S | * | . | trans | -71 | 109.6 | 172.7 | 41 | 0 | 0 | 0 | 0 | 108.5 | E113 | T111-E113 PolarHBondContact O-N 3.2Š| ||
| 112 | D | 39.7 | Very low | 47.8 | Very low | 119 Ų | 119 | 83.3 Ų | 83.3 | 64% | 0.636 | 49% | 0.488 | S | S | * | . | trans | -71 | 59 | 162.1 | -165 | 21.2 | 0 | 0 | 0 | 108 | I110 G114 | I110-D112 PolarHBondContact O-N 3.07Å; I110-D112 VanDerWaalsContact O-N 3.14Å; D112-G114 VanDerWaalsContact C-N 3.29Å; D112-G114 PolarHBondContact O-N 3.29Å | ||
| 113 | E | 37.5 | Very low | 49.2 | Very low | 141 Ų | 141 | 82.7 Ų | 82.7 | 66% | 0.659 | 48% | 0.483 | S | S | * | . | trans | -61.9 | 107.2 | 160 | -69.4 | -165.2 | 174.8 | 0 | 0 | 104.1 | T111 V115 | T111-E113 PolarHBondContact O-N 3.2Å; E113-V115 HydrophobicContact CB-CG2 3.99Å; E113-V115 PolarHBondContact O-N 3.37Å | ||
| 114 | G | 38.9 | Very low | 50.6 | Low | 69 Ų | 69 | 83.5 Ų | 83.5 | 71% | 0.711 | 49% | 0.489 | S | S | * | . | trans | -63.1 | 33.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | D112 K116 | D112-G114 VanDerWaalsContact C-N 3.29Å; D112-G114 PolarHBondContact O-N 3.29Å; G114-K116 VanDerWaalsContact C-N 3.32Å; G114-K116 PolarHBondContact O-N 3.09Å | ||
| 115 | V | 41.5 | Very low | 52.4 | Low | 86 Ų | 86 | 84.7 Ų | 84.7 | 52% | 0.521 | 49% | 0.493 | S | S | . | . | trans | -65.8 | 99.8 | 162.6 | -152 | 0 | 0 | 0 | 0 | 105.4 | E113 D117 | E113-V115 HydrophobicContact CB-CG2 3.99Å; E113-V115 PolarHBondContact O-N 3.37Å; V115-D117 HydrophobicContact CB-CB 3.9Å; V115-D117 HydrophobicContact CG1-CB 3.36Å; V115-D117 VanDerWaalsContact CG1-CG 3.48Å; V115-D117 PolarHBondContact O-N 2.82Å | ||
| 116 | K | 44.9 | Very low | 54.5 | Low | 202 Ų | 202 | 85.9 Ų | 85.9 | 88% | 0.878 | 49% | 0.49 | S | S | * | . | trans | -62.2 | 52.1 | 157 | -72.9 | 179.2 | 171.5 | -179.6 | 0 | 109.3 | G114 | G114-K116 VanDerWaalsContact C-N 3.32Å; G114-K116 PolarHBondContact O-N 3.09Å | ||
| 117 | D | 49.2 | Very low | 56.7 | Low | 82 Ų | 82 | 82.7 Ų | 82.7 | 44% | 0.439 | 47% | 0.473 | S | S | . | . | trans | -79.4 | 132.3 | -165.4 | -145.8 | -17.7 | 0 | 0 | 0 | 108.4 | V115 S119 A120 | V115-D117 HydrophobicContact CB-CB 3.9Å; V115-D117 HydrophobicContact CG1-CB 3.36Å; V115-D117 VanDerWaalsContact CG1-CG 3.48Å; V115-D117 PolarHBondContact O-N 2.82Å; D117-S119 PolarHBondContact O-N 2.94Å; D117-A120 PolarHBondContact O-N 2.63Å | ||
| 118 | N | 56.4 | Low | 59 | Low | 127 Ų | 127 | 83.1 Ų | 83.1 | 68% | 0.679 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -51.5 | -29.4 | 166.1 | -74.9 | -26.9 | 0 | 0 | 0 | 110 | A120 S121 V122 | N118-A120 PolarHBondContact O-N 2.86Å; N118-S121 PolarHBondContact O-N 3.14Å; N118-S121 PolarHBondContact O-OG 2.91Å; N118-V122 WeakPolarHBondContact O-CB 3.35Å; N118-V122 WeakPolarHBondContact O-CG2 3.31Å; N118-V122 PolarHBondContact O-N 2.61Å |
| 119 | S | 57.6 | Low | 61.6 | Low | 52 Ų | 52 | 86.9 Ų | 86.9 | 36% | 0.364 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -49.4 | -50.8 | 172.4 | -175.2 | 0 | 0 | 0 | 0 | 113.9 | D117 S121 V122 Q123 | D117-S119 PolarHBondContact O-N 2.94Å; S119-S121 VanDerWaalsContact C-N 3.32Å; S119-S121 PolarHBondContact O-N 3.05Å; S119-V122 PolarHBondContact O-N 2.73Å; S119-V122 VanDerWaalsContact O-N 3.09Å; S119-Q123 WeakPolarHBondContact O-CG 3.41Å; S119-Q123 PolarHBondContact O-N 2.86Å |
| 120 | A | 67.2 | Low | 64.3 | Low | 32 Ų | 32 | 85.2 Ų | 85.2 | 26% | 0.264 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -61.8 | -42.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | D117 N118 V122 L124 P215 | D117-A120 PolarHBondContact O-N 2.63Å; N118-A120 PolarHBondContact O-N 2.86Å; A120-V122 VanDerWaalsContact C-N 3.33Å; A120-V122 PolarHBondContact O-N 3.17Å; A120-L124 WeakPolarHBondContact O-CB 3.44Å; A120-L124 PolarHBondContact O-N 3.24Å; A120-P215 HydrophobicContact CB-CB 3.52Å; A120-P215 HydrophobicContact CB-CG 3.94Å |
| 121 | S | 71.1 | Confident | 67 | Low | 50 Ų | 50 | 84.3 Ų | 84.3 | 35% | 0.35 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -67.3 | -33.8 | 176.4 | 77.1 | 0 | 0 | 0 | 0 | 112.4 | N118 S119 K125 | N118-S121 PolarHBondContact O-N 3.14Å; N118-S121 PolarHBondContact O-OG 2.91Å; S119-S121 VanDerWaalsContact C-N 3.32Å; S119-S121 PolarHBondContact O-N 3.05Å; S121-K125 WeakPolarHBondContact O-CB 3.26Å; S121-K125 WeakPolarHBondContact O-CG 3.38Å; S121-K125 PolarHBondContact O-N 2.92Å |
| 122 | V | 80.4 | Confident | 69.9 | Low | 72 Ų | 72 | 82.4 Ų | 82.4 | 44% | 0.436 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -71.8 | -44.4 | 177.6 | 169.6 | 0 | 0 | 0 | 0 | 110.9 | N118 S119 A120 K125 R126 | N118-V122 WeakPolarHBondContact O-CB 3.35Å; N118-V122 WeakPolarHBondContact O-CG2 3.31Å; N118-V122 PolarHBondContact O-N 2.61Å; S119-V122 PolarHBondContact O-N 2.73Å; S119-V122 VanDerWaalsContact O-N 3.09Å; A120-V122 VanDerWaalsContact C-N 3.33Å; A120-V122 PolarHBondContact O-N 3.17Å; V122-K125 PolarHBondContact O-N 3.19Å; V122-R126 WeakPolarHBondContact O-CB 3.49Å; V122-R126 PolarHBondContact O-N 3.12Å |
| 123 | Q | 80.3 | Confident | 72.5 | Confident | 46 Ų | 46 | 80.6 Ų | 80.6 | 22% | 0.215 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -60.4 | -46.8 | 176.1 | -72.3 | 178.8 | -6.5 | 0 | 0 | 111.1 | S119 R126 L127 E212 P215 | S119-Q123 WeakPolarHBondContact O-CG 3.41Å; S119-Q123 PolarHBondContact O-N 2.86Å; Q123-R126 PolarHBondContact O-N 2.89Å; Q123-L127 WeakPolarHBondContact O-CB 3.3Å; Q123-L127 PolarHBondContact O-N 3.42Å; Q123-E212 WeakPolarHBondContact CG-OE2 3.46Å; Q123-E212 PolarHBondContact NE2-OE2 3.05Å; Q123-P215 VanDerWaalsContact OE1-CD 3.26Å |
| 124 | L | 84.1 | Confident | 75.1 | Confident | 44 Ų | 44 | 78.8 Ų | 78.8 | 23% | 0.23 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -63.1 | -43 | 177.5 | -173.7 | 61.8 | 0 | 0 | 0 | 112.1 | A120 L127 H128 L217 F286 A290 | A120-L124 WeakPolarHBondContact O-CB 3.44Å; A120-L124 PolarHBondContact O-N 3.24Å; L124-L127 PolarHBondContact O-N 3.49Å; L124-H128 VanDerWaalsContact CD1-NE2 3.35Å; L124-H128 WeakPolarHBondContact CD1-NE2 3.38Å; L124-H128 PolarHBondContact O-CD2 2.99Å; L124-H128 PolarHBondContact O-N 3.32Å; L124-L217 HydrophobicContact CD1-CD1 3.91Å; L124-L217 HydrophobicContact CD1-CD2 4.35Å; L124-L217 HydrophobicContact CD2-CD2 4.14Å; L124-F286 HydrophobicContact CD1-CE2 4.15Å; L124-F286 HydrophobicContact CD1-CZ 4.22Å; L124-A290 HydrophobicContact CD1-CB 4.07Å |
| 125 | K | 86.4 | Confident | 77.4 | Confident | 134 Ų | 134 | 78 Ų | 78 | 58% | 0.583 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -61.6 | -49 | 176.2 | -78.3 | 174.1 | -179.3 | -176.5 | 0 | 112.2 | S121 V122 L127 H128 E129 | S121-K125 WeakPolarHBondContact O-CB 3.26Å; S121-K125 WeakPolarHBondContact O-CG 3.38Å; S121-K125 PolarHBondContact O-N 2.92Å; V122-K125 PolarHBondContact O-N 3.19Å; K125-L127 PolarHBondContact O-N 2.95Å; K125-H128 PolarHBondContact O-N 3.4Å; K125-H128 VanDerWaalsContact O-N 3.12Å; K125-E129 WeakPolarHBondContact O-CG 3.45Å; K125-E129 PolarHBondContact O-N 3.37Å |
| 126 | R | 85.7 | Confident | 79.8 | Confident | 130 Ų | 130 | 76.7 Ų | 76.7 | 49% | 0.491 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -57.8 | -40 | 176.1 | -176.9 | -172.4 | -66.6 | 170.7 | -1.7 | 111.1 | V122 Q123 E129 E212 | V122-R126 WeakPolarHBondContact O-CB 3.49Å; V122-R126 PolarHBondContact O-N 3.12Å; Q123-R126 PolarHBondContact O-N 2.89Å; R126-E129 PolarHBondContact O-N 3.46Å; R126-E212 IonicContact NH1-OE1 2.69Å |
| 127 | L | 86.9 | Confident | 82.1 | Confident | 9 Ų | 9 | 68.6 Ų | 68.6 | 5% | 0.047 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -64.4 | -50.1 | 175.8 | -170.3 | 68.2 | 0 | 0 | 0 | 110.3 | Q123 L124 K125 E129 T130 M140 F286 L287 A290 | Q123-L127 WeakPolarHBondContact O-CB 3.3Å; Q123-L127 PolarHBondContact O-N 3.42Å; L124-L127 PolarHBondContact O-N 3.49Å; K125-L127 PolarHBondContact O-N 2.95Å; L127-E129 PolarHBondContact O-N 2.98Å; L127-E129 VanDerWaalsContact O-N 3.14Å; L127-T130 WeakPolarHBondContact O-CA 3.46Å; L127-T130 PolarHBondContact O-N 3.16Å; L127-T130 PolarHBondContact O-OG1 3.43Å; L127-M140 HydrophobicContact CD1-CE 3.6Å; L127-M140 HydrophobicContact CD1-SD 3.94Å; L127-M140 HydrophobicContact CD2-SD 4.13Å; L127-M140 HydrophobicContact CG-CE 3.78Å; L127-M140 HydrophobicContact CG-SD 3.78Å; L127-M140 VanDerWaalsContact O-CE 3.22Å; L127-M140 WeakPolarHBondContact O-CE 2.81Å; L127-F286 HydrophobicContact CB-CE1 4.48Å; L127-F286 HydrophobicContact CD2-CD1 4.1Å; L127-F286 HydrophobicContact CD2-CE1 3.44Å; L127-F286 VanDerWaalsContact CD2-CE1 3.44Å; L127-F286 HydrophobicContact CD2-CZ 3.74Å; L127-F286 HydrophobicContact CG-CE1 4.42Å; L127-L287 HydrophobicContact CD1-CD2 4.05Å; L127-L287 HydrophobicContact CD1-CG 4.43Å; L127-L287 HydrophobicContact CD2-CD2 4.11Å; L127-L287 HydrophobicContact CD2-CG 4.38Å; L127-A290 HydrophobicContact CD2-CB 3.65Å |
| 128 | H | 88.7 | Confident | 84.3 | Confident | 49 Ų | 49 | 64.7 Ų | 64.7 | 23% | 0.227 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -56.2 | -31.5 | 178.8 | -72.9 | -169.6 | 0 | 0 | 0 | 113.6 | L124 K125 T130 F131 | L124-H128 VanDerWaalsContact CD1-NE2 3.35Å; L124-H128 WeakPolarHBondContact CD1-NE2 3.38Å; L124-H128 PolarHBondContact O-CD2 2.99Å; L124-H128 PolarHBondContact O-N 3.32Å; K125-H128 PolarHBondContact O-N 3.4Å; K125-H128 VanDerWaalsContact O-N 3.12Å; H128-T130 PolarHBondContact O-N 3.24Å; H128-F131 WeakPolarHBondContact O-CB 3.47Å; H128-F131 PolarHBondContact O-N 2.83Å; H128-F131 VanDerWaalsContact O-N 3.17Å |
| 129 | E | 90.3 | Very high | 86.2 | Confident | 155 Ų | 155 | 59.6 Ų | 59.6 | 72% | 0.724 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -22.3 | 173.9 | -70.2 | 165.3 | -172.7 | 0 | 0 | 113.4 | K125 R126 L127 | K125-E129 WeakPolarHBondContact O-CG 3.45Å; K125-E129 PolarHBondContact O-N 3.37Å; R126-E129 PolarHBondContact O-N 3.46Å; L127-E129 PolarHBondContact O-N 2.98Å; L127-E129 VanDerWaalsContact O-N 3.14Å |
| 130 | T | 91 | Very high | 87.9 | Confident | 38 Ų | 38 | 57.2 Ų | 57.2 | 23% | 0.233 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99 | -0.1 | 179.3 | 69 | 0 | 0 | 0 | 0 | 113.3 | L127 H128 M140 R141 | L127-T130 WeakPolarHBondContact O-CA 3.46Å; L127-T130 PolarHBondContact O-N 3.16Å; L127-T130 PolarHBondContact O-OG1 3.43Å; H128-T130 PolarHBondContact O-N 3.24Å; T130-M140 WeakPolarHBondContact OG1-CE 3.21Å; T130-R141 HydrophobicContact CG2-CB 4.13Å; T130-R141 HydrophobicContact CG2-CG 4.2Å |
| 131 | F | 94.3 | Very high | 89.2 | Confident | 33 Ų | 33 | 58.7 Ų | 58.7 | 15% | 0.145 | 30% | 0.301 | C | S | . | . | trans | -75 | 134.2 | 177.2 | 173.5 | -92.7 | 0 | 0 | 0 | 110.4 | H128 C138 M140 V291 K294 D298 | H128-F131 WeakPolarHBondContact O-CB 3.47Å; H128-F131 PolarHBondContact O-N 2.83Å; H128-F131 VanDerWaalsContact O-N 3.17Å; F131-C138 HydrophobicContact CD2-CB 4.47Å; F131-C138 HydrophobicContact CE2-CB 3.69Å; F131-C138 HydrophobicContact CZ-CB 4.33Å; F131-M140 HydrophobicContact CB-CE 4.24Å; F131-M140 HydrophobicContact CB-SD 4.47Å; F131-V291 HydrophobicContact CE2-CG1 4.29Å; F131-K294 HydrophobicContact CD1-CG 3.77Å; F131-K294 HydrophobicContact CD2-CB 4.39Å; F131-K294 HydrophobicContact CD2-CG 3.99Å; F131-K294 HydrophobicContact CE1-CG 3.84Å; F131-K294 HydrophobicContact CE2-CB 4.3Å; F131-K294 HydrophobicContact CE2-CG 4.04Å; F131-K294 HydrophobicContact CG-CG 3.85Å; F131-K294 HydrophobicContact CZ-CG 3.97Å; F131-D298 WeakPolarHBondContact CE1-OD2 3.36Å | ||
| 132 | S | 94.9 | Very high | 90.2 | Very high | 60 Ų | 60 | 56.6 Ų | 56.6 | 42% | 0.42 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 153 | 167.6 | 66 | 0 | 0 | 0 | 0 | 111.3 | C138 T139 | S132-C138 CarbonylContact O-C 3.53Å; S132-C138 WeakPolarHBondContact O-CA 3.39Å; S132-T139 PolarHBondContact N-O 3.14Å; S132-T139 PolarHBondContact O-N 3.17Å; S132-T139 WeakPolarHBondContact OG-CB 3.45Å |
| 133 | Y | 94.7 | Very high | 90.7 | Very high | 82 Ų | 82 | 53.7 Ų | 53.7 | 32% | 0.322 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 125.3 | 178.9 | 175.1 | -117.6 | 0 | 0 | 0 | 108.9 | G135 S342 | Y133-G135 VanDerWaalsContact C-N 3.34Å; Y133-G135 VanDerWaalsContact CE1-CA 3.42Å; Y133-G135 PolarHBondContact OH-O 2.7Å; Y133-G135 VanDerWaalsContact OH-O 3.1Å; Y133-S342 PolarHBondContact OH-O 3.29Å |
| 134 | D | 91.8 | Very high | 91.2 | Very high | 103 Ų | 103 | 52.6 Ų | 52.6 | 55% | 0.551 | 26% | 0.262 | S | S | * | . | trans | -93.9 | 11.6 | -175.9 | 68.3 | -7.8 | 0 | 0 | 0 | 113.2 | N136 R137 | D134-N136 VanDerWaalsContact C-N 3.3Å; D134-N136 WeakPolarHBondContact OD1-CA 3.32Å; D134-N136 WeakPolarHBondContact OD1-CB 3.15Å; D134-N136 PolarHBondContact OD1-N 3.31Å; D134-R137 PolarHBondContact OD1-N 2.86Å; D134-R137 VanDerWaalsContact OD1-O 3.12Å | ||
| 135 | G | 88.7 | Confident | 91.3 | Very high | 52 Ų | 52 | 55.9 Ų | 55.9 | 54% | 0.536 | 27% | 0.274 | S | S | . | . | S | Bend | trans | 85.7 | -1.6 | -171.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y133 | Y133-G135 VanDerWaalsContact C-N 3.34Å; Y133-G135 VanDerWaalsContact CE1-CA 3.42Å; Y133-G135 PolarHBondContact OH-O 2.7Å; Y133-G135 VanDerWaalsContact OH-O 3.1Å |
| 136 | N | 90.7 | Very high | 90.8 | Very high | 58 Ų | 58 | 53.8 Ų | 53.8 | 31% | 0.31 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -136 | -42.4 | -175.3 | -179.5 | 51.4 | 0 | 0 | 0 | 113.6 | D134 R344 | D134-N136 VanDerWaalsContact C-N 3.3Å; D134-N136 WeakPolarHBondContact OD1-CA 3.32Å; D134-N136 WeakPolarHBondContact OD1-CB 3.15Å; D134-N136 PolarHBondContact OD1-N 3.31Å; N136-R344 WeakPolarHBondContact O-CG 3.48Å; N136-R344 PolarHBondContact OD1-NE 3.39Å; N136-R344 PolarHBondContact OD1-NH2 3.45Å |
| 137 | R | 93.7 | Very high | 90.3 | Very high | 33 Ų | 33 | 54.3 Ų | 54.3 | 13% | 0.125 | 29% | 0.29 | C | S | . | . | trans | -145.8 | 146.4 | 179.5 | -73.1 | -179.5 | -179.3 | -96.8 | -9.3 | 111 | D134 Q245 L247 R344 | D134-R137 PolarHBondContact OD1-N 2.86Å; D134-R137 VanDerWaalsContact OD1-O 3.12Å; R137-Q245 PolarHBondContact NH1-O 3.34Å; R137-Q245 VanDerWaalsContact NH1-O 3.1Å; R137-L247 HydrophobicContact CB-CD1 3.89Å; R137-L247 HydrophobicContact CB-CG 4.14Å; R137-R344 HydrophobicContact CG-CG 4.03Å | ||
| 138 | C | 95.4 | Very high | 90 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 137.8 | 171.3 | -53.2 | 0 | 0 | 0 | 0 | 110.5 | F131 S132 L247 V291 | F131-C138 HydrophobicContact CD2-CB 4.47Å; F131-C138 HydrophobicContact CE2-CB 3.69Å; F131-C138 HydrophobicContact CZ-CB 4.33Å; S132-C138 CarbonylContact O-C 3.53Å; S132-C138 WeakPolarHBondContact O-CA 3.39Å; C138-L247 PolarHBondContact O-N 3.48Å; C138-V291 HydrophobicContact CB-CG1 3.48Å; C138-V291 VanDerWaalsContact CB-CG1 3.48Å |
| 139 | T | 96.4 | Very high | 89.8 | Confident | 20 Ų | 20 | 59.1 Ų | 59.1 | 12% | 0.123 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 140.8 | 173.6 | -57 | 0 | 0 | 0 | 0 | 109.8 | S132 L247 H249 | S132-T139 PolarHBondContact N-O 3.14Å; S132-T139 PolarHBondContact O-N 3.17Å; S132-T139 WeakPolarHBondContact OG-CB 3.45Å; T139-L247 WeakPolarHBondContact CA-O 3.39Å; T139-L247 HydrophobicContact CG2-CB 4.17Å; T139-L247 WeakPolarHBondContact OG1-CB 3.29Å; T139-H249 HydrophobicContact CG2-CB 4.29Å |
| 140 | M | 94 | Very high | 89.7 | Confident | 1 Ų | 1 | 54.5 Ų | 54.5 | 1% | 0.005 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 156 | 179.9 | -81.6 | -102.6 | 53 | 0 | 0 | 112.7 | L127 T130 F131 I246 L247 H249 L287 V291 | L127-M140 HydrophobicContact CD1-CE 3.6Å; L127-M140 HydrophobicContact CD1-SD 3.94Å; L127-M140 HydrophobicContact CD2-SD 4.13Å; L127-M140 HydrophobicContact CG-CE 3.78Å; L127-M140 HydrophobicContact CG-SD 3.78Å; L127-M140 VanDerWaalsContact O-CE 3.22Å; L127-M140 WeakPolarHBondContact O-CE 2.81Å; T130-M140 WeakPolarHBondContact OG1-CE 3.21Å; F131-M140 HydrophobicContact CB-CE 4.24Å; F131-M140 HydrophobicContact CB-SD 4.47Å; M140-I246 HydrophobicContact CB-CG2 4.2Å; M140-I246 HydrophobicContact CG-CG2 4.29Å; M140-L247 PolarHBondContact N-O 3.44Å; M140-H249 WeakPolarHBondContact O-CB 3.41Å; M140-H249 PolarHBondContact O-N 3.1Å; M140-L287 HydrophobicContact CB-CD2 3.44Å; M140-L287 VanDerWaalsContact CB-CD2 3.44Å; M140-L287 HydrophobicContact CE-CD2 4.36Å; M140-L287 HydrophobicContact CG-CD2 3.54Å; M140-L287 HydrophobicContact SD-CD2 3.36Å; M140-L287 WeakPolarHBondContact SD-CD2 3.25Å; M140-V291 HydrophobicContact CB-CG2 4.48Å; M140-V291 HydrophobicContact CG-CG2 3.3Å; M140-V291 HydrophobicContact SD-CG2 3.69Å |
| 141 | R | 93.9 | Very high | 89.6 | Confident | 64 Ų | 64 | 54.8 Ų | 54.8 | 24% | 0.242 | 30% | 0.301 | C | S | . | . | trans | -89 | 153.9 | 165.2 | -69 | -175.9 | -179.9 | -133.7 | -5.3 | 111.3 | T130 H249 E251 D252 | T130-R141 HydrophobicContact CG2-CB 4.13Å; T130-R141 HydrophobicContact CG2-CG 4.2Å; R141-H249 HydrophobicContact CG-CB 3.57Å; R141-H249 PolarHBondContact NH2-CE1 2.88Å; R141-H249 PolarHBondContact NH2-NE2 3.34Å; R141-H249 VanDerWaalsContact NH2-NE2 3.17Å; R141-E251 IonicContact CZ-OE1 3.14Å; R141-E251 IonicContact CZ-OE2 3.24Å; R141-E251 VanDerWaalsContact CZ-OE2 3.28Å; R141-E251 IonicContact NH1-OE1 3.09Å; R141-E251 IonicContact NH1-OE2 3.28Å; R141-E251 PolarHBondContact NH1-OE2 2.92Å; R141-E251 IonicContact NH2-OE1 3.21Å; R141-E251 PolarHBondContact NH2-OE1 2.97Å; R141-E251 IonicContact NH2-OE2 3.85Å; R141-E251 PolarHBondContact NH2-OE2 3.37Å; R141-D252 WeakPolarHBondContact CA-OD2 3.35Å; R141-D252 WeakPolarHBondContact CB-OD2 3.47Å | ||
| 142 | L | 92.4 | Very high | 89.4 | Confident | 5 Ų | 5 | 58.9 Ų | 58.9 | 3% | 0.026 | 33% | 0.325 | C | S | . | . | trans | -66.3 | 143.9 | 171.2 | -69.4 | 176.5 | 0 | 0 | 0 | 110.3 | W144 M211 L248 D252 L281 L287 | L142-W144 HydrophobicContact CB-CD2 4.42Å; L142-W144 HydrophobicContact CB-CZ2 3.97Å; L142-W144 HydrophobicContact CD1-CH2 4.03Å; L142-W144 HydrophobicContact CD1-CZ2 3.72Å; L142-W144 HydrophobicContact CG-CZ2 4.41Å; L142-W144 PolarHBondContact O-N 2.81Å; L142-M211 HydrophobicContact CD1-SD 4.2Å; L142-M211 HydrophobicContact CD2-SD 4.3Å; L142-L248 HydrophobicContact CD1-CD1 4.46Å; L142-L248 HydrophobicContact CD2-CD1 3.83Å; L142-L248 HydrophobicContact CG-CD1 3.65Å; L142-D252 HydrophobicContact CD1-CB 4.24Å; L142-D252 HydrophobicContact CG-CB 4.17Å; L142-D252 PolarHBondContact N-OD2 3.11Å; L142-L281 HydrophobicContact CD2-CD1 3.86Å; L142-L287 HydrophobicContact CD2-CD1 4.16Å | ||
| 143 | P | 90.6 | Very high | 89.2 | Confident | 11 Ų | 11 | 59.2 Ų | 59.2 | 7% | 0.071 | 32% | 0.322 | C | S | . | . | trans | -79.6 | 88 | -179.9 | 33.1 | -35.6 | 0 | 0 | 0 | 110 | M211 E212 | P143-M211 CarbonylContact O-C 3.56Å; P143-M211 WeakPolarHBondContact O-CA 3.3Å; P143-E212 HydrophobicContact CB-CB 4.26Å; P143-E212 WeakPolarHBondContact CG-O 3.08Å; P143-E212 PolarHBondContact O-N 2.82Å | ||
| 144 | W | 90.6 | Very high | 89 | Confident | 24 Ų | 24 | 58.9 Ų | 58.9 | 9% | 0.091 | 33% | 0.326 | C | S | . | . | B | Isolated β-bridge | trans | -80.1 | 137.4 | -178.5 | -60.7 | 104 | 0 | 0 | 0 | 112.6 | L142 K148 L207 L210 M211 D252 F255 | L142-W144 HydrophobicContact CB-CD2 4.42Å; L142-W144 HydrophobicContact CB-CZ2 3.97Å; L142-W144 HydrophobicContact CD1-CH2 4.03Å; L142-W144 HydrophobicContact CD1-CZ2 3.72Å; L142-W144 HydrophobicContact CG-CZ2 4.41Å; L142-W144 PolarHBondContact O-N 2.81Å; W144-K148 HydrophobicContact CD2-CD 4.18Å; W144-K148 HydrophobicContact CD2-CG 3.94Å; W144-K148 HydrophobicContact CE3-CG 4.27Å; W144-K148 HydrophobicContact CG-CD 4.2Å; W144-K148 HydrophobicContact CG-CG 4.08Å; W144-L207 HydrophobicContact CH2-CD1 3.73Å; W144-L207 HydrophobicContact CZ3-CD1 3.78Å; W144-L210 HydrophobicContact CE3-CB 4.18Å; W144-L210 HydrophobicContact CZ3-CB 4.07Å; W144-M211 HydrophobicContact CE3-CG 4.33Å; W144-M211 HydrophobicContact CZ3-CG 4.25Å; W144-D252 HydrophobicContact CZ2-CB 4.5Å; W144-D252 PolarHBondContact NE1-OD1 3.28Å; W144-F255 HydrophobicContact CH2-CB 3.81Å; W144-F255 AromaticContact CH2-CD1 3.47Å; W144-F255 HydrophobicContact CH2-CD1 3.47Å; W144-F255 VanDerWaalsContact CH2-CD1 3.47Å; W144-F255 AromaticContact CH2-CD2 3.77Å; W144-F255 HydrophobicContact CH2-CD2 3.77Å; W144-F255 AromaticContact CH2-CE1 3.97Å; W144-F255 HydrophobicContact CH2-CE1 3.97Å; W144-F255 HydrophobicContact CH2-CE2 4.23Å; W144-F255 AromaticContact CH2-CG 3.38Å; W144-F255 HydrophobicContact CH2-CG 3.38Å; W144-F255 HydrophobicContact CH2-CZ 4.33Å; W144-F255 HydrophobicContact CZ2-CB 4.23Å; W144-F255 HydrophobicContact CZ2-CD1 4.12Å; W144-F255 AromaticContact CZ2-CD2 3.55Å; W144-F255 HydrophobicContact CZ2-CD2 3.55Å; W144-F255 HydrophobicContact CZ2-CE1 4.43Å; W144-F255 AromaticContact CZ2-CE2 3.9Å; W144-F255 HydrophobicContact CZ2-CE2 3.9Å; W144-F255 AromaticContact CZ2-CG 3.69Å; W144-F255 HydrophobicContact CZ2-CG 3.69Å; W144-F255 HydrophobicContact CZ2-CZ 4.34Å; W144-F255 HydrophobicContact CZ3-CD1 4.26Å |
| 145 | K | 86.5 | Confident | 89 | Confident | 113 Ų | 113 | 55.8 Ų | 55.8 | 49% | 0.491 | 32% | 0.319 | S | S | . | . | trans | -68.2 | -46.2 | 175 | -75.6 | 173.9 | -178.9 | 155.8 | 0 | 113.1 | D209 L210 M211 E212 | K145-D209 WeakPolarHBondContact CD-O 3.34Å; K145-D209 PolarHBondContact NZ-O 3.08Å; K145-L210 PolarHBondContact N-O 3.1Å; K145-M211 WeakPolarHBondContact CE-O 3.4Å; K145-M211 PolarHBondContact NZ-O 3.42Å; K145-E212 HydrophobicContact CB-CG 4.26Å; K145-E212 HydrophobicContact CG-CB 4.44Å; K145-E212 HydrophobicContact CG-CG 3.49Å; K145-E212 VanDerWaalsContact CG-CG 3.49Å | ||
| 146 | A | 75 | Confident | 89 | Confident | 89 Ų | 89 | 56 Ų | 56 | 74% | 0.736 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -171.3 | -66 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 147 | E | 76.9 | Confident | 88.9 | Confident | 142 Ų | 142 | 55.2 Ų | 55.2 | 66% | 0.664 | 31% | 0.307 | S | S | * | . | trans | -89.7 | 127.4 | -171.1 | -168.8 | 171.6 | -173.6 | 0 | 0 | 112.1 | ||||
| 148 | K | 79.6 | Confident | 88.7 | Confident | 84 Ų | 84 | 58.2 Ų | 58.2 | 37% | 0.365 | 32% | 0.319 | S | S | . | . | trans | -102.1 | 39.3 | -179.7 | -54 | -171 | -175.6 | -165.8 | 0 | 112.4 | W144 D252 F255 | W144-K148 HydrophobicContact CD2-CD 4.18Å; W144-K148 HydrophobicContact CD2-CG 3.94Å; W144-K148 HydrophobicContact CE3-CG 4.27Å; W144-K148 HydrophobicContact CG-CD 4.2Å; W144-K148 HydrophobicContact CG-CG 4.08Å; K148-D252 IonicContact NZ-OD1 3.98Å; K148-D252 PolarHBondContact NZ-OD1 2.91Å; K148-F255 HydrophobicContact CB-CE1 4.07Å; K148-F255 HydrophobicContact CB-CZ 3.7Å; K148-F255 HydrophobicContact CD-CZ 4.37Å; K148-F255 VanDerWaalsContact O-CE1 3.29Å; K148-F255 WeakPolarHBondContact O-CE1 3.49Å; K148-F255 WeakPolarHBondContact O-CZ 3.39Å | ||
| 149 | S | 83.9 | Confident | 88.4 | Confident | 75 Ų | 75 | 65.9 Ų | 65.9 | 52% | 0.524 | 35% | 0.348 | S | S | . | . | trans | -105.9 | 114.7 | -177.7 | -169.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 150 | L | 87.9 | Confident | 87.8 | Confident | 58 Ų | 58 | 65.9 Ų | 65.9 | 30% | 0.304 | 35% | 0.352 | S | S | . | . | trans | -122.1 | 135.7 | 171.5 | -74.2 | 177.6 | 0 | 0 | 0 | 110.5 | V205 L207 L210 F255 | L150-V205 HydrophobicContact CD2-CB 4.5Å; L150-V205 HydrophobicContact CD2-CG1 3.85Å; L150-V205 HydrophobicContact CD2-CG2 3.85Å; L150-L207 HydrophobicContact CD1-CB 4.12Å; L150-L207 HydrophobicContact CD1-CD1 3.74Å; L150-L207 HydrophobicContact CD1-CG 4.49Å; L150-L210 HydrophobicContact CD1-CD1 4.21Å; L150-L210 HydrophobicContact CD2-CD1 3.44Å; L150-L210 VanDerWaalsContact CD2-CD1 3.44Å; L150-L210 HydrophobicContact CD2-CG 4.24Å; L150-L210 HydrophobicContact CG-CD1 3.54Å; L150-F255 HydrophobicContact CD1-CD1 4.08Å | ||
| 151 | P | 89.6 | Confident | 87.4 | Confident | 43 Ų | 43 | 67.6 Ų | 67.6 | 28% | 0.279 | 36% | 0.361 | S | S | . | . | trans | -67.6 | 143.8 | 172.6 | 25.4 | -29.1 | 0 | 0 | 0 | 110.8 | N153 Y202 K203 V205 | P151-N153 PolarHBondContact O-N 3.22Å; P151-Y202 HydrophobicContact CB-CD1 3.95Å; P151-Y202 HydrophobicContact CB-CE1 4Å; P151-Y202 HydrophobicContact CG-CD1 3.78Å; P151-Y202 HydrophobicContact CG-CE1 4.32Å; P151-K203 HydrophobicContact CB-CD 4.03Å; P151-K203 HydrophobicContact CG-CB 4.14Å; P151-K203 HydrophobicContact CG-CD 4.34Å; P151-V205 VanDerWaalsContact CD-CG1 3.49Å; P151-V205 HydrophobicContact CG-CG1 3.86Å | ||
| 152 | N | 90.6 | Very high | 86.9 | Confident | 120 Ų | 120 | 66.8 Ų | 66.8 | 64% | 0.642 | 36% | 0.361 | S | S | * | . | trans | -63.5 | 109.6 | 175.6 | -176.3 | -16.9 | 0 | 0 | 0 | 110.6 | N154 Y202 | N152-N154 WeakPolarHBondContact OD1-CB 3.33Å; N152-N154 PolarHBondContact OD1-N 2.95Å; N152-Y202 WeakPolarHBondContact O-CE1 3.42Å | ||
| 153 | N | 90.8 | Very high | 86.5 | Confident | 67 Ų | 67 | 74 Ų | 74 | 36% | 0.358 | 39% | 0.388 | S | S | . | . | trans | -99.5 | 13.3 | -178.4 | 69.6 | -19.1 | 0 | 0 | 0 | 113.4 | P151 G155 Q156 A157 Y202 | P151-N153 PolarHBondContact O-N 3.22Å; N153-G155 VanDerWaalsContact C-N 3.28Å; N153-G155 PolarHBondContact O-N 3.31Å; N153-G155 VanDerWaalsContact O-N 3.16Å; N153-Q156 WeakPolarHBondContact O-CA 3.4Å; N153-Q156 WeakPolarHBondContact O-CB 3.4Å; N153-Q156 PolarHBondContact O-N 2.87Å; N153-A157 PolarHBondContact O-N 3.05Å; N153-Y202 HydrophobicContact CB-CD1 3.41Å; N153-Y202 VanDerWaalsContact CB-CD1 3.41Å; N153-Y202 HydrophobicContact CB-CD2 4.31Å; N153-Y202 HydrophobicContact CB-CE1 4.06Å; N153-Y202 HydrophobicContact CB-CG 3.56Å | ||
| 154 | N | 90.9 | Very high | 86 | Confident | 74 Ų | 74 | 77.3 Ų | 77.3 | 40% | 0.396 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -52.6 | -43.4 | -174.2 | -174.2 | 37.3 | 0 | 0 | 0 | 113.1 | N152 Q156 A157 Y158 | N152-N154 WeakPolarHBondContact OD1-CB 3.33Å; N152-N154 PolarHBondContact OD1-N 2.95Å; N154-Q156 VanDerWaalsContact C-N 3.31Å; N154-Q156 PolarHBondContact O-N 3.34Å; N154-A157 PolarHBondContact O-N 3.24Å; N154-Y158 WeakPolarHBondContact O-CB 3.48Å; N154-Y158 PolarHBondContact O-N 3.35Å |
| 155 | G | 90.1 | Very high | 85.4 | Confident | 39 Ų | 39 | 76.9 Ų | 76.9 | 40% | 0.402 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -64.9 | -31.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114 | N153 R159 | N153-G155 VanDerWaalsContact C-N 3.28Å; N153-G155 PolarHBondContact O-N 3.31Å; N153-G155 VanDerWaalsContact O-N 3.16Å; G155-R159 WeakPolarHBondContact O-CG 3.41Å; G155-R159 PolarHBondContact O-N 3.45Å |
| 156 | Q | 89.8 | Confident | 85.1 | Confident | 57 Ų | 57 | 76.3 Ų | 76.3 | 27% | 0.266 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -72.4 | -43.9 | 172.7 | -176.6 | -166 | 39.5 | 0 | 0 | 110.6 | N153 N154 Y158 R159 G160 R201 Y202 | N153-Q156 WeakPolarHBondContact O-CA 3.4Å; N153-Q156 WeakPolarHBondContact O-CB 3.4Å; N153-Q156 PolarHBondContact O-N 2.87Å; N154-Q156 VanDerWaalsContact C-N 3.31Å; N154-Q156 PolarHBondContact O-N 3.34Å; Q156-Y158 VanDerWaalsContact C-N 3.32Å; Q156-Y158 PolarHBondContact O-N 2.81Å; Q156-R159 PolarHBondContact O-N 2.89Å; Q156-G160 PolarHBondContact O-N 3.25Å; Q156-R201 PolarHBondContact NE2-O 3.07Å; Q156-Y202 HydrophobicContact CB-CD2 4.14Å; Q156-Y202 HydrophobicContact CB-CE2 4.37Å; Q156-Y202 HydrophobicContact CG-CD2 4.49Å |
| 157 | A | 89.2 | Confident | 85 | Confident | 40 Ų | 40 | 78.5 Ų | 78.5 | 33% | 0.331 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -59.5 | -43.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | N153 N154 G160 L161 L259 | N153-A157 PolarHBondContact O-N 3.05Å; N154-A157 PolarHBondContact O-N 3.24Å; A157-G160 CarbonylContact O-C 3.54Å; A157-G160 WeakPolarHBondContact O-CA 3.45Å; A157-G160 PolarHBondContact O-N 2.96Å; A157-G160 VanDerWaalsContact O-N 3.14Å; A157-L161 PolarHBondContact O-N 3.28Å; A157-L259 HydrophobicContact CB-CD1 3.98Å |
| 158 | Y | 88.5 | Confident | 84.5 | Confident | 96 Ų | 96 | 73.7 Ų | 73.7 | 38% | 0.376 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -63.7 | -45.1 | 177 | -173.1 | -97 | 0 | 0 | 0 | 112.3 | N154 Q156 G160 L161 I162 L259 | N154-Y158 WeakPolarHBondContact O-CB 3.48Å; N154-Y158 PolarHBondContact O-N 3.35Å; Q156-Y158 VanDerWaalsContact C-N 3.32Å; Q156-Y158 PolarHBondContact O-N 2.81Å; Y158-G160 PolarHBondContact O-N 3.4Å; Y158-L161 WeakPolarHBondContact O-CB 3.4Å; Y158-L161 PolarHBondContact O-N 2.95Å; Y158-I162 HydrophobicContact CD1-CG1 4.1Å; Y158-I162 HydrophobicContact CE1-CD1 4.07Å; Y158-I162 HydrophobicContact CE1-CG1 3.74Å; Y158-I162 WeakPolarHBondContact O-CG1 3.41Å; Y158-I162 PolarHBondContact O-N 3.27Å; Y158-L259 HydrophobicContact CD2-CD1 4.25Å |
| 159 | R | 88.5 | Confident | 83.5 | Confident | 161 Ų | 161 | 72.3 Ų | 72.3 | 61% | 0.608 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -60.2 | -36.7 | 172.3 | -73.8 | -171.8 | -64.1 | -97.6 | 2.8 | 112.2 | G155 Q156 R163 | G155-R159 WeakPolarHBondContact O-CG 3.41Å; G155-R159 PolarHBondContact O-N 3.45Å; Q156-R159 PolarHBondContact O-N 2.89Å; R159-R163 VanDerWaalsContact O-CB 3.3Å; R159-R163 WeakPolarHBondContact O-CB 3.28Å; R159-R163 PolarHBondContact O-N 3.09Å |
| 160 | G | 85.6 | Confident | 82.2 | Confident | 20 Ų | 20 | 73.7 Ų | 73.7 | 21% | 0.206 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -62.7 | -44.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q156 A157 Y158 R163 L164 | Q156-G160 PolarHBondContact O-N 3.25Å; A157-G160 CarbonylContact O-C 3.54Å; A157-G160 WeakPolarHBondContact O-CA 3.45Å; A157-G160 PolarHBondContact O-N 2.96Å; A157-G160 VanDerWaalsContact O-N 3.14Å; Y158-G160 PolarHBondContact O-N 3.4Å; G160-R163 PolarHBondContact O-N 2.91Å; G160-L164 WeakPolarHBondContact O-CB 3.37Å; G160-L164 WeakPolarHBondContact O-CG 3.2Å; G160-L164 PolarHBondContact O-N 3.19Å |
| 161 | L | 83.9 | Confident | 80.3 | Confident | 38 Ų | 38 | 80.6 Ų | 80.6 | 20% | 0.199 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -60.4 | -52.3 | 175.1 | 176.8 | 63.1 | 0 | 0 | 0 | 111.3 | A157 Y158 R163 L164 E165 L259 R261 | A157-L161 PolarHBondContact O-N 3.28Å; Y158-L161 WeakPolarHBondContact O-CB 3.4Å; Y158-L161 PolarHBondContact O-N 2.95Å; L161-R163 VanDerWaalsContact C-N 3.32Å; L161-R163 PolarHBondContact O-N 3.23Å; L161-L164 PolarHBondContact O-N 3.16Å; L161-L164 VanDerWaalsContact O-N 3.16Å; L161-E165 HydrophobicContact CD1-CG 4.31Å; L161-E165 WeakPolarHBondContact O-CG 3.2Å; L161-E165 PolarHBondContact O-N 3.47Å; L161-L259 HydrophobicContact CD2-CB 4.14Å; L161-L259 HydrophobicContact CD2-CD1 4.43Å; L161-R261 HydrophobicContact CD2-CG 4.4Å |
| 162 | I | 84.1 | Confident | 78.2 | Confident | 46 Ų | 46 | 80.1 Ų | 80.1 | 24% | 0.236 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -57.7 | -45.9 | 178.3 | -63.1 | -69.4 | 0 | 0 | 0 | 111 | Y158 L164 E165 D166 | Y158-I162 HydrophobicContact CD1-CG1 4.1Å; Y158-I162 HydrophobicContact CE1-CD1 4.07Å; Y158-I162 HydrophobicContact CE1-CG1 3.74Å; Y158-I162 WeakPolarHBondContact O-CG1 3.41Å; Y158-I162 PolarHBondContact O-N 3.27Å; I162-L164 VanDerWaalsContact C-N 3.35Å; I162-L164 PolarHBondContact O-N 3.47Å; I162-E165 PolarHBondContact O-N 3.31Å; I162-D166 WeakPolarHBondContact O-CB 3.42Å; I162-D166 VanDerWaalsContact O-CG 3.28Å; I162-D166 PolarHBondContact O-N 3.11Å |
| 163 | R | 83.9 | Confident | 76 | Confident | 157 Ų | 157 | 82.7 Ų | 82.7 | 59% | 0.592 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -61.9 | -42.1 | 178.4 | -175.7 | -177.5 | 66.6 | -172.4 | 0.4 | 112.2 | R159 G160 L161 E165 D166 Q167 | R159-R163 VanDerWaalsContact O-CB 3.3Å; R159-R163 WeakPolarHBondContact O-CB 3.28Å; R159-R163 PolarHBondContact O-N 3.09Å; G160-R163 PolarHBondContact O-N 2.91Å; L161-R163 VanDerWaalsContact C-N 3.32Å; L161-R163 PolarHBondContact O-N 3.23Å; R163-E165 VanDerWaalsContact C-N 3.34Å; R163-D166 PolarHBondContact O-N 3.4Å; R163-Q167 WeakPolarHBondContact O-CB 3.29Å; R163-Q167 VanDerWaalsContact O-CG 3.26Å; R163-Q167 WeakPolarHBondContact O-CG 3.16Å; R163-Q167 PolarHBondContact O-N 3.11Å |
| 164 | L | 79.8 | Confident | 73.9 | Confident | 81 Ų | 81 | 85.2 Ų | 85.2 | 42% | 0.424 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -62.6 | -44.5 | 176.4 | -78.7 | 168.3 | 0 | 0 | 0 | 110.6 | G160 L161 I162 Q167 M168 | G160-L164 WeakPolarHBondContact O-CB 3.37Å; G160-L164 WeakPolarHBondContact O-CG 3.2Å; G160-L164 PolarHBondContact O-N 3.19Å; L161-L164 PolarHBondContact O-N 3.16Å; L161-L164 VanDerWaalsContact O-N 3.16Å; I162-L164 VanDerWaalsContact C-N 3.35Å; I162-L164 PolarHBondContact O-N 3.47Å; L164-Q167 PolarHBondContact O-N 2.93Å; L164-M168 WeakPolarHBondContact O-CG 3.02Å; L164-M168 PolarHBondContact O-N 3.37Å |
| 165 | E | 78 | Confident | 71.7 | Confident | 14 Ų | 14 | 83.3 Ų | 83.3 | 7% | 0.065 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -63.4 | -41 | 176.6 | -67.2 | 169.4 | 174.3 | 0 | 0 | 111.8 | L161 I162 R163 Q167 M168 R261 R265 | L161-E165 HydrophobicContact CD1-CG 4.31Å; L161-E165 WeakPolarHBondContact O-CG 3.2Å; L161-E165 PolarHBondContact O-N 3.47Å; I162-E165 PolarHBondContact O-N 3.31Å; R163-E165 VanDerWaalsContact C-N 3.34Å; E165-Q167 VanDerWaalsContact C-N 3.3Å; E165-Q167 PolarHBondContact O-N 2.99Å; E165-M168 WeakPolarHBondContact O-CB 3.4Å; E165-M168 PolarHBondContact O-N 3.27Å; E165-M168 VanDerWaalsContact O-N 3.16Å; E165-R261 IonicContact OE1-CZ 3.31Å; E165-R261 IonicContact OE1-NE 2.99Å; E165-R261 PolarHBondContact OE1-NE 3.38Å; E165-R261 IonicContact OE1-NH2 2.81Å; E165-R261 PolarHBondContact OE1-NH2 3.38Å; E165-R261 IonicContact OE2-CZ 3.45Å; E165-R261 IonicContact OE2-NE 3.16Å; E165-R261 IonicContact OE2-NH2 3.11Å; E165-R261 PolarHBondContact OE2-NH2 3.49Å; E165-R265 PolarHBondContact O-NH2 2.94Å; E165-R265 IonicContact OE2-NE 2.7Å |
| 166 | D | 80.3 | Confident | 69.4 | Low | 101 Ų | 101 | 87.8 Ų | 87.8 | 54% | 0.54 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -67.5 | -30.6 | 177.8 | -72.3 | -19.3 | 0 | 0 | 0 | 112.8 | I162 R163 M168 R265 | I162-D166 WeakPolarHBondContact O-CB 3.42Å; I162-D166 VanDerWaalsContact O-CG 3.28Å; I162-D166 PolarHBondContact O-N 3.11Å; R163-D166 PolarHBondContact O-N 3.4Å; D166-M168 VanDerWaalsContact C-N 3.32Å; D166-R265 IonicContact OD1-CZ 3.66Å; D166-R265 IonicContact OD1-NH1 2.91Å; D166-R265 PolarHBondContact OD1-NH1 3.38Å; D166-R265 IonicContact OD1-NH2 3.59Å; D166-R265 PolarHBondContact OD1-NH2 3.36Å |
| 167 | Q | 73.6 | Confident | 67.1 | Low | 135 Ų | 135 | 86.5 Ų | 86.5 | 63% | 0.631 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -77.8 | -18.6 | 173.2 | -73.1 | 177.6 | -9.4 | 0 | 0 | 112.5 | R163 L164 E165 P169 | R163-Q167 WeakPolarHBondContact O-CB 3.29Å; R163-Q167 VanDerWaalsContact O-CG 3.26Å; R163-Q167 WeakPolarHBondContact O-CG 3.16Å; R163-Q167 PolarHBondContact O-N 3.11Å; L164-Q167 PolarHBondContact O-N 2.93Å; E165-Q167 VanDerWaalsContact C-N 3.3Å; E165-Q167 PolarHBondContact O-N 2.99Å; Q167-P169 WeakPolarHBondContact O-CD 3.34Å |
| 168 | M | 66.9 | Low | 65 | Low | 41 Ų | 41 | 91 Ų | 91 | 20% | 0.202 | 45% | 0.449 | C | S | . | . | S | Bend | trans | -74.2 | 122.6 | 173.4 | -73 | 179.7 | -166.5 | 0 | 0 | 109.4 | L164 E165 D166 A170 Y178 F263 | L164-M168 WeakPolarHBondContact O-CG 3.02Å; L164-M168 PolarHBondContact O-N 3.37Å; E165-M168 WeakPolarHBondContact O-CB 3.4Å; E165-M168 PolarHBondContact O-N 3.27Å; E165-M168 VanDerWaalsContact O-N 3.16Å; D166-M168 VanDerWaalsContact C-N 3.32Å; M168-A170 PolarHBondContact O-N 3.35Å; M168-Y178 HydrophobicContact CE-CD2 3.39Å; M168-Y178 HydrophobicContact CE-CE2 3.31Å; M168-Y178 HydrophobicContact CE-CG 4.11Å; M168-Y178 HydrophobicContact SD-CD2 4.2Å; M168-F263 HydrophobicContact SD-CE1 4.46Å |
| 169 | P | 57.4 | Low | 62.7 | Low | 56 Ų | 56 | 92.5 Ų | 92.5 | 36% | 0.364 | 46% | 0.459 | S | S | . | . | trans | -61.4 | 134.4 | 179.7 | 20.1 | -29.1 | 0 | 0 | 0 | 111.1 | Q167 K171 S172 E174 | Q167-P169 WeakPolarHBondContact O-CD 3.34Å; P169-K171 PolarHBondContact O-N 2.93Å; P169-S172 VanDerWaalsContact CG-OG 3.24Å; P169-S172 WeakPolarHBondContact CG-OG 3.24Å; P169-S172 PolarHBondContact O-N 3.48Å; P169-E174 HydrophobicContact CG-CB 4.44Å; P169-E174 WeakPolarHBondContact CG-OE2 3.43Å | ||
| 170 | A | 56.2 | Low | 60.2 | Low | 104 Ų | 104 | 91.2 Ų | 91.2 | 86% | 0.86 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | 5.2 | -161.7 | 0 | 0 | 0 | 0 | 0 | 117.8 | M168 | M168-A170 PolarHBondContact O-N 3.35Š|
| 171 | K | 47.8 | Very low | 58 | Low | 203 Ų | 203 | 92.7 Ų | 92.7 | 88% | 0.883 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 179.3 | 20.2 | 176.4 | -107.6 | 166.2 | -167.8 | -174.3 | 0 | 111.8 | P169 | P169-K171 PolarHBondContact O-N 2.93Š|
| 172 | S | 46 | Very low | 55.7 | Low | 32 Ų | 32 | 94 Ų | 94 | 22% | 0.224 | 47% | 0.47 | C | S | . | . | S | Bend | trans | -76 | 154.8 | 178.2 | 102.8 | 0 | 0 | 0 | 0 | 109 | P169 E174 A175 | P169-S172 VanDerWaalsContact CG-OG 3.24Å; P169-S172 WeakPolarHBondContact CG-OG 3.24Å; P169-S172 PolarHBondContact O-N 3.48Å; S172-E174 WeakPolarHBondContact CB-OE2 3.47Å; S172-E174 PolarHBondContact O-N 3.29Å; S172-E174 WeakPolarHBondContact OG-CA 3.04Å; S172-E174 WeakPolarHBondContact OG-CB 3.41Å; S172-E174 VanDerWaalsContact OG-CD 3.29Å; S172-E174 WeakPolarHBondContact OG-CG 3.31Å; S172-E174 PolarHBondContact OG-N 2.96Å; S172-E174 PolarHBondContact OG-OE2 2.79Å; S172-A175 PolarHBondContact O-N 3.02Å |
| 173 | E | 45.9 | Very low | 53.3 | Low | 175 Ų | 175 | 100.6 Ų | 100.6 | 82% | 0.818 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -49.2 | -12.3 | 167.4 | -70.7 | 176.9 | 148 | 0 | 0 | 113.1 | F176 A177 | E173-F176 CarbonylContact O-C 3.59Å; E173-F176 WeakPolarHBondContact O-CB 3.24Å; E173-A177 WeakPolarHBondContact O-CA 3.28Å; E173-A177 WeakPolarHBondContact O-CB 3.29Å; E173-A177 PolarHBondContact O-N 3.27Å |
| 174 | E | 44.9 | Very low | 51 | Low | 120 Ų | 120 | 101.6 Ų | 101.6 | 56% | 0.561 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -78.1 | -29.7 | 175.3 | -59 | 148.7 | 148.8 | 0 | 0 | 113.6 | P169 S172 F176 A177 Y178 | P169-E174 HydrophobicContact CG-CB 4.44Å; P169-E174 WeakPolarHBondContact CG-OE2 3.43Å; S172-E174 WeakPolarHBondContact CB-OE2 3.47Å; S172-E174 PolarHBondContact O-N 3.29Å; S172-E174 WeakPolarHBondContact OG-CA 3.04Å; S172-E174 WeakPolarHBondContact OG-CB 3.41Å; S172-E174 VanDerWaalsContact OG-CD 3.29Å; S172-E174 WeakPolarHBondContact OG-CG 3.31Å; S172-E174 PolarHBondContact OG-N 2.96Å; S172-E174 PolarHBondContact OG-OE2 2.79Å; E174-F176 VanDerWaalsContact C-N 3.34Å; E174-A177 VanDerWaalsContact C-N 3.27Å; E174-A177 VanDerWaalsContact CA-CB 3.48Å; E174-A177 HydrophobicContact CB-CB 4.45Å; E174-A177 CarbonylContact O-C 3.5Å; E174-A177 WeakPolarHBondContact O-CA 3.42Å; E174-A177 VanDerWaalsContact O-CB 3.3Å; E174-A177 WeakPolarHBondContact O-CB 3.45Å; E174-A177 PolarHBondContact O-N 3.21Å; E174-Y178 PolarHBondContact O-N 3.38Å |
| 175 | A | 46.2 | Very low | 49.1 | Very low | 34 Ų | 34 | 101 Ų | 101 | 28% | 0.281 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.8 | -42.7 | 168.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | S172 A177 Y178 | S172-A175 PolarHBondContact O-N 3.02Å; A175-A177 PolarHBondContact O-N 3.49Å; A175-Y178 PolarHBondContact O-N 3.23Å |
| 176 | F | 41.7 | Very low | 47.3 | Very low | 133 Ų | 133 | 110.4 Ų | 110.4 | 58% | 0.583 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -64.4 | -25.5 | 164.8 | -86.3 | -79.8 | 0 | 0 | 0 | 112.2 | E173 E174 Y178 E179 Y180 | E173-F176 CarbonylContact O-C 3.59Å; E173-F176 WeakPolarHBondContact O-CB 3.24Å; E174-F176 VanDerWaalsContact C-N 3.34Å; F176-Y178 VanDerWaalsContact C-N 3.28Å; F176-Y178 PolarHBondContact O-N 3.45Å; F176-E179 CarbonylContact O-C 3.55Å; F176-E179 VanDerWaalsContact O-CA 3.28Å; F176-E179 WeakPolarHBondContact O-CA 3.31Å; F176-E179 VanDerWaalsContact O-CB 3.26Å; F176-E179 WeakPolarHBondContact O-CB 3.45Å; F176-E179 PolarHBondContact O-N 3.29Å; F176-Y180 WeakPolarHBondContact O-CB 3.44Å; F176-Y180 PolarHBondContact O-N 3.22Å |
| 177 | A | 41.8 | Very low | 45.6 | Very low | 30 Ų | 30 | 111.4 Ų | 111.4 | 25% | 0.248 | 55% | 0.551 | C | S | . | * | H | α-helix | trans | -71.9 | -19.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | E173 E174 A175 E179 Y180 V181 | E173-A177 WeakPolarHBondContact O-CA 3.28Å; E173-A177 WeakPolarHBondContact O-CB 3.29Å; E173-A177 PolarHBondContact O-N 3.27Å; E174-A177 VanDerWaalsContact C-N 3.27Å; E174-A177 VanDerWaalsContact CA-CB 3.48Å; E174-A177 HydrophobicContact CB-CB 4.45Å; E174-A177 CarbonylContact O-C 3.5Å; E174-A177 WeakPolarHBondContact O-CA 3.42Å; E174-A177 VanDerWaalsContact O-CB 3.3Å; E174-A177 WeakPolarHBondContact O-CB 3.45Å; E174-A177 PolarHBondContact O-N 3.21Å; A175-A177 PolarHBondContact O-N 3.49Å; A177-E179 VanDerWaalsContact C-N 3.25Å; A177-Y180 CarbonylContact O-C 3.52Å; A177-Y180 PolarHBondContact O-N 3.2Å; A177-Y180 VanDerWaalsContact O-N 3.12Å; A177-V181 WeakPolarHBondContact O-CA 3.41Å; A177-V181 WeakPolarHBondContact O-CG2 3.42Å; A177-V181 PolarHBondContact O-N 3.24Å |
| 178 | Y | 43.9 | Very low | 44 | Very low | 133 Ų | 133 | 109.2 Ų | 109.2 | 52% | 0.522 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -68.7 | -30.1 | 165.3 | -97.5 | -87.6 | 0 | 0 | 0 | 112.2 | M168 E174 A175 F176 | M168-Y178 HydrophobicContact CE-CD2 3.39Å; M168-Y178 HydrophobicContact CE-CE2 3.31Å; M168-Y178 HydrophobicContact CE-CG 4.11Å; M168-Y178 HydrophobicContact SD-CD2 4.2Å; E174-Y178 PolarHBondContact O-N 3.38Å; A175-Y178 PolarHBondContact O-N 3.23Å; F176-Y178 VanDerWaalsContact C-N 3.28Å; F176-Y178 PolarHBondContact O-N 3.45Å |
| 179 | E | 39.6 | Very low | 42.8 | Very low | 128 Ų | 128 | 110.6 Ų | 110.6 | 60% | 0.598 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -75 | -27.3 | 166.4 | -160 | 175.8 | -165.7 | 0 | 0 | 111.7 | F176 A177 | F176-E179 CarbonylContact O-C 3.55Å; F176-E179 VanDerWaalsContact O-CA 3.28Å; F176-E179 WeakPolarHBondContact O-CA 3.31Å; F176-E179 VanDerWaalsContact O-CB 3.26Å; F176-E179 WeakPolarHBondContact O-CB 3.45Å; F176-E179 PolarHBondContact O-N 3.29Å; A177-E179 VanDerWaalsContact C-N 3.25Å |
| 180 | Y | 37.5 | Very low | 42.2 | Very low | 134 Ų | 134 | 112.7 Ų | 112.7 | 53% | 0.525 | 57% | 0.569 | S | S | . | * | trans | -139.7 | 55.4 | -170.7 | -71.4 | -86.3 | 0 | 0 | 0 | 115.1 | F176 A177 T182 | F176-Y180 WeakPolarHBondContact O-CB 3.44Å; F176-Y180 PolarHBondContact O-N 3.22Å; A177-Y180 CarbonylContact O-C 3.52Å; A177-Y180 PolarHBondContact O-N 3.2Å; A177-Y180 VanDerWaalsContact O-N 3.12Å; Y180-T182 CarbonylContact O-C 3.56Å; Y180-T182 PolarHBondContact O-N 3.3Å; Y180-T182 PolarHBondContact O-OG1 3Å | ||
| 181 | V | 38.4 | Very low | 42 | Very low | 52 Ų | 52 | 113.1 Ų | 113.1 | 32% | 0.315 | 55% | 0.552 | S | S | . | * | trans | -63.7 | 11.8 | 165.3 | -169.2 | 0 | 0 | 0 | 0 | 110.9 | A177 R183 C192 | A177-V181 WeakPolarHBondContact O-CA 3.41Å; A177-V181 WeakPolarHBondContact O-CG2 3.42Å; A177-V181 PolarHBondContact O-N 3.24Å; V181-R183 PolarHBondContact O-N 3.13Å; V181-R183 VanDerWaalsContact O-N 3.14Å; V181-C192 HydrophobicContact CB-CB 3.72Å; V181-C192 HydrophobicContact CG2-CB 3.92Å | ||
| 182 | T | 35.6 | Very low | 42.6 | Very low | 64 Ų | 64 | 106.6 Ų | 106.6 | 39% | 0.393 | 53% | 0.531 | S | S | . | . | trans | -69.6 | 87.6 | 154 | 35.7 | 0 | 0 | 0 | 0 | 110.7 | Y180 H184 | Y180-T182 CarbonylContact O-C 3.56Å; Y180-T182 PolarHBondContact O-N 3.3Å; Y180-T182 PolarHBondContact O-OG1 3Å; T182-H184 PolarHBondContact O-N 3.25Å | ||
| 183 | R | 33 | Very low | 43.7 | Very low | 186 Ų | 186 | 113 Ų | 113 | 70% | 0.702 | 55% | 0.55 | S | S | * | * | trans | -51.6 | 132.6 | 157.8 | -74.4 | -173.3 | 177.2 | -178.6 | -1 | 109 | V181 D185 | V181-R183 PolarHBondContact O-N 3.13Å; V181-R183 VanDerWaalsContact O-N 3.14Å; R183-D185 WeakPolarHBondContact CB-OD1 3.35Å; R183-D185 PolarHBondContact O-N 2.85Å | ||
| 184 | H | 37.4 | Very low | 45.1 | Very low | 177 Ų | 177 | 110.1 Ų | 110.1 | 82% | 0.819 | 54% | 0.539 | S | S | * | . | S | Bend | trans | -75.5 | 2.6 | -179.4 | -82.8 | -75 | 0 | 0 | 0 | 114 | T182 K186 | T182-H184 PolarHBondContact O-N 3.25Å; H184-K186 PolarHBondContact O-N 3.4Å; H184-K186 VanDerWaalsContact O-N 3.17Å |
| 185 | D | 39.5 | Very low | 47 | Very low | 68 Ų | 68 | 108.6 Ų | 108.6 | 36% | 0.364 | 54% | 0.538 | S | S | . | . | trans | -71.8 | 110.5 | 168.1 | 84 | -50.5 | 0 | 0 | 0 | 108.8 | R183 T187 T188 | R183-D185 WeakPolarHBondContact CB-OD1 3.35Å; R183-D185 PolarHBondContact O-N 2.85Å; D185-T187 PolarHBondContact O-N 3.3Å; D185-T187 PolarHBondContact OD2-OG1 3.06Å; D185-T188 PolarHBondContact O-N 2.99Å; D185-T188 PolarHBondContact OD2-OG1 3.44Å; D185-T188 VanDerWaalsContact OD2-OG1 3.13Å | ||
| 186 | K | 40.7 | Very low | 49 | Very low | 212 Ų | 212 | 108.5 Ų | 108.5 | 92% | 0.922 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -0 | -171.2 | -71.2 | -177.8 | 177.2 | 176.9 | 0 | 114.5 | H184 | H184-K186 PolarHBondContact O-N 3.4Å; H184-K186 VanDerWaalsContact O-N 3.17Å |
| 187 | T | 42.9 | Very low | 51.2 | Low | 122 Ų | 122 | 107.2 Ų | 107.2 | 75% | 0.748 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.6 | -25.8 | -173.7 | 42.7 | 0 | 0 | 0 | 0 | 114.2 | D185 | D185-T187 PolarHBondContact O-N 3.3Å; D185-T187 PolarHBondContact OD2-OG1 3.06Å |
| 188 | T | 41.8 | Very low | 53.4 | Low | 89 Ų | 89 | 105.8 Ų | 105.8 | 55% | 0.546 | 52% | 0.519 | S | S | . | . | trans | -148.4 | 66.6 | -177.8 | 41.4 | 0 | 0 | 0 | 0 | 112.1 | D185 T190 | D185-T188 PolarHBondContact O-N 2.99Å; D185-T188 PolarHBondContact OD2-OG1 3.44Å; D185-T188 VanDerWaalsContact OD2-OG1 3.13Å; T188-T190 PolarHBondContact O-N 3.14Å | ||
| 189 | T | 40.2 | Very low | 55.6 | Low | 71 Ų | 71 | 103 Ų | 103 | 44% | 0.436 | 52% | 0.519 | S | S | . | . | trans | -61.2 | 101.9 | 168.4 | 55.6 | 0 | 0 | 0 | 0 | 108.6 | K191 | T189-K191 PolarHBondContact O-N 3.41Š| ||
| 190 | T | 44.4 | Very low | 57.9 | Low | 99 Ų | 99 | 99.3 Ų | 99.3 | 61% | 0.607 | 51% | 0.507 | S | S | * | . | trans | -73.2 | 81.6 | 169 | -55 | 0 | 0 | 0 | 0 | 105.8 | T188 C192 | T188-T190 PolarHBondContact O-N 3.14Å; T190-C192 PolarHBondContact O-N 3.33Å; T190-C192 VanDerWaalsContact O-N 3.15Å | ||
| 191 | K | 53.3 | Low | 60.5 | Low | 113 Ų | 113 | 99.2 Ų | 99.2 | 49% | 0.491 | 51% | 0.506 | S | S | . | . | trans | -41.4 | 125.7 | -179.7 | -68.9 | -177.1 | 177.2 | -175.5 | 0 | 109 | T189 R193 | T189-K191 PolarHBondContact O-N 3.41Å; K191-R193 WeakPolarHBondContact O-CG 3.48Å; K191-R193 PolarHBondContact O-N 3.17Å; K191-R193 VanDerWaalsContact O-N 3.17Å | ||
| 192 | C | 60.4 | Low | 63 | Low | 67 Ų | 67 | 99.6 Ų | 99.6 | 45% | 0.453 | 50% | 0.502 | S | S | . | . | trans | -48.2 | 125 | 172.6 | -166.7 | 0 | 0 | 0 | 0 | 109.1 | V181 T190 | V181-C192 HydrophobicContact CB-CB 3.72Å; V181-C192 HydrophobicContact CG2-CB 3.92Å; T190-C192 PolarHBondContact O-N 3.33Å; T190-C192 VanDerWaalsContact O-N 3.15Å | ||
| 193 | R | 69.1 | Low | 65.7 | Low | 166 Ų | 166 | 103.7 Ų | 103.7 | 63% | 0.626 | 52% | 0.515 | S | S | * | . | trans | -115.3 | 120.1 | 174.6 | -65.8 | -173.1 | -173.1 | -172.7 | 2.3 | 108.4 | K191 V195 | K191-R193 WeakPolarHBondContact O-CG 3.48Å; K191-R193 PolarHBondContact O-N 3.17Å; K191-R193 VanDerWaalsContact O-N 3.17Å; R193-V195 HydrophobicContact CB-CG2 4.34Å; R193-V195 PolarHBondContact O-N 3.38Å | ||
| 194 | I | 75.6 | Confident | 68.3 | Low | 114 Ų | 114 | 100 Ų | 100 | 59% | 0.585 | 52% | 0.517 | S | S | * | . | trans | -73.6 | 113.7 | 169.5 | -56.1 | 174 | 0 | 0 | 0 | 107 | F274 | I194-F274 HydrophobicContact CG2-CE1 4.43Å; I194-F274 HydrophobicContact CG2-CZ 3.84Å | ||
| 195 | V | 83.5 | Confident | 70.8 | Confident | 89 Ų | 89 | 93.2 Ų | 93.2 | 54% | 0.539 | 49% | 0.488 | S | S | . | . | B | Isolated β-bridge | trans | -112.2 | 126.2 | 178.2 | -177.7 | 0 | 0 | 0 | 0 | 108 | R193 F279 | R193-V195 HydrophobicContact CB-CG2 4.34Å; R193-V195 PolarHBondContact O-N 3.38Å; V195-F279 HydrophobicContact CB-CB 4.32Å; V195-F279 HydrophobicContact CG1-CB 4.14Å; V195-F279 HydrophobicContact CG2-CB 3.98Å |
| 196 | F | 89 | Confident | 73.3 | Confident | 32 Ų | 32 | 90.1 Ų | 90.1 | 14% | 0.14 | 47% | 0.472 | C | S | . | . | trans | -78.9 | 124.7 | 173.4 | -170.6 | -92.9 | 0 | 0 | 0 | 109.2 | G198 L207 V256 R257 F274 F279 G280 L281 | F196-G198 PolarHBondContact O-N 2.7Å; F196-L207 HydrophobicContact CD1-CD2 4.37Å; F196-L207 HydrophobicContact CE1-CD2 3.68Å; F196-L207 HydrophobicContact CZ-CD2 4.48Å; F196-V256 HydrophobicContact CE2-CB 4.3Å; F196-V256 HydrophobicContact CZ-CB 4.4Å; F196-R257 WeakPolarHBondContact CE2-O 3.35Å; F196-F274 AromaticContact CD2-CD2 3.9Å; F196-F274 HydrophobicContact CD2-CD2 3.9Å; F196-F274 AromaticContact CD2-CE2 3.7Å; F196-F274 HydrophobicContact CD2-CE2 3.7Å; F196-F274 HydrophobicContact CE2-CD2 4.4Å; F196-F274 HydrophobicContact CE2-CE2 4.44Å; F196-F279 WeakPolarHBondContact CB-O 3.27Å; F196-F279 PolarHBondContact N-O 2.74Å; F196-G280 CarbonylContact O-C 3.59Å; F196-G280 VanDerWaalsContact O-CA 3.29Å; F196-G280 WeakPolarHBondContact O-CA 3.5Å; F196-L281 HydrophobicContact CD1-CD2 3.56Å; F196-L281 HydrophobicContact CE1-CD2 4.13Å; F196-L281 HydrophobicContact CG-CD2 4.39Å | ||
| 197 | D | 88 | Confident | 75.8 | Confident | 105 Ų | 105 | 80.5 Ų | 80.5 | 56% | 0.561 | 43% | 0.431 | S | S | * | . | trans | -78.1 | 75 | 178.3 | -172.8 | 5.7 | 0 | 0 | 0 | 111.2 | S199 S200 | D197-S199 PolarHBondContact O-N 3.04Å; D197-S199 PolarHBondContact OD1-N 3.07Å; D197-S200 PolarHBondContact O-N 3.27Å; D197-S200 PolarHBondContact OD1-N 2.91Å; D197-S200 VanDerWaalsContact OD1-N 3.08Å; D197-S200 WeakPolarHBondContact OD2-CB 3.34Å | ||
| 198 | G | 88.1 | Confident | 78.1 | Confident | 1 Ų | 1 | 75.4 Ų | 75.4 | 1% | 0.01 | 40% | 0.399 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -10.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | F196 L207 N208 | F196-G198 PolarHBondContact O-N 2.7Å; G198-L207 PolarHBondContact O-N 2.87Å; G198-N208 VanDerWaalsContact C-CG 3.48Å; G198-N208 VanDerWaalsContact O-CB 3.3Å; G198-N208 WeakPolarHBondContact O-CB 3.34Å; G198-N208 VanDerWaalsContact O-CG 3.3Å; G198-N208 PolarHBondContact O-N 3.34Å; G198-N208 PolarHBondContact O-ND2 2.95Å |
| 199 | S | 89.9 | Confident | 80.5 | Confident | 75 Ų | 75 | 73.9 Ų | 73.9 | 52% | 0.524 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | -10 | -177.9 | -59.6 | 0 | 0 | 0 | 0 | 112.8 | D197 R201 N208 | D197-S199 PolarHBondContact O-N 3.04Å; D197-S199 PolarHBondContact OD1-N 3.07Å; S199-R201 PolarHBondContact O-N 3.49Å; S199-N208 PolarHBondContact N-ND2 3.47Å; S199-N208 PolarHBondContact OG-ND2 2.96Å |
| 200 | S | 88.1 | Confident | 82.9 | Confident | 49 Ų | 49 | 71.9 Ų | 71.9 | 34% | 0.343 | 37% | 0.374 | S | S | . | . | trans | -59.4 | 123.4 | 174.3 | -167.2 | 0 | 0 | 0 | 0 | 111.2 | D197 A206 | D197-S200 PolarHBondContact O-N 3.27Å; D197-S200 PolarHBondContact OD1-N 2.91Å; D197-S200 VanDerWaalsContact OD1-N 3.08Å; D197-S200 WeakPolarHBondContact OD2-CB 3.34Å; S200-A206 WeakPolarHBondContact O-CB 3.41Å | ||
| 201 | R | 91.5 | Very high | 85.1 | Confident | 132 Ų | 132 | 67.2 Ų | 67.2 | 50% | 0.498 | 35% | 0.345 | S | S | . | . | trans | -93.6 | 134 | -178.6 | -71.3 | -178.2 | 175.3 | -71.8 | -15.9 | 111.3 | Q156 S199 S204 V205 A206 D209 | Q156-R201 PolarHBondContact NE2-O 3.07Å; S199-R201 PolarHBondContact O-N 3.49Å; R201-S204 PolarHBondContact NH1-O 3.38Å; R201-V205 WeakPolarHBondContact CA-O 3.33Å; R201-A206 HydrophobicContact CG-CB 3.86Å; R201-D209 IonicContact CZ-OD1 3.72Å; R201-D209 IonicContact CZ-OD2 3.23Å; R201-D209 VanDerWaalsContact CZ-OD2 3.23Å; R201-D209 IonicContact NH1-OD1 3.86Å; R201-D209 IonicContact NH1-OD2 2.69Å; R201-D209 PolarHBondContact NH1-OD2 3.16Å; R201-D209 IonicContact NH2-OD1 3.42Å; R201-D209 PolarHBondContact NH2-OD1 3.05Å; R201-D209 IonicContact NH2-OD2 3.84Å; R201-D209 PolarHBondContact NH2-OD2 2.76Å; R201-D209 VanDerWaalsContact NH2-OD2 3.11Å | ||
| 202 | Y | 91.4 | Very high | 86.7 | Confident | 60 Ų | 60 | 63 Ų | 63 | 24% | 0.235 | 33% | 0.327 | C | S | . | . | B | Isolated β-bridge | trans | -132 | 130.1 | 167.5 | -176.2 | -121.7 | 0 | 0 | 0 | 109.7 | P151 N152 N153 Q156 S204 V205 | P151-Y202 HydrophobicContact CB-CD1 3.95Å; P151-Y202 HydrophobicContact CB-CE1 4Å; P151-Y202 HydrophobicContact CG-CD1 3.78Å; P151-Y202 HydrophobicContact CG-CE1 4.32Å; N152-Y202 WeakPolarHBondContact O-CE1 3.42Å; N153-Y202 HydrophobicContact CB-CD1 3.41Å; N153-Y202 VanDerWaalsContact CB-CD1 3.41Å; N153-Y202 HydrophobicContact CB-CD2 4.31Å; N153-Y202 HydrophobicContact CB-CE1 4.06Å; N153-Y202 HydrophobicContact CB-CG 3.56Å; Q156-Y202 HydrophobicContact CB-CD2 4.14Å; Q156-Y202 HydrophobicContact CB-CE2 4.37Å; Q156-Y202 HydrophobicContact CG-CD2 4.49Å; Y202-S204 PolarHBondContact O-N 3.03Å; Y202-V205 PolarHBondContact N-O 2.92Å; Y202-V205 WeakPolarHBondContact O-CG1 3.46Å; Y202-V205 PolarHBondContact O-N 3.34Å; Y202-V205 VanDerWaalsContact O-N 3.14Å |
| 203 | K | 91 | Very high | 87.9 | Confident | 151 Ų | 151 | 62.5 Ų | 62.5 | 66% | 0.657 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47 | 46.6 | -173.4 | -62 | -175.2 | 174.3 | -174.5 | 0 | 111.9 | P151 V205 | P151-K203 HydrophobicContact CB-CD 4.03Å; P151-K203 HydrophobicContact CG-CB 4.14Å; P151-K203 HydrophobicContact CG-CD 4.34Å; K203-V205 PolarHBondContact O-N 2.63Å |
| 204 | S | 88.2 | Confident | 88.5 | Confident | 108 Ų | 108 | 55.6 Ų | 55.6 | 76% | 0.755 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.4 | 3.1 | 177.5 | -51 | 0 | 0 | 0 | 0 | 117.2 | R201 Y202 | R201-S204 PolarHBondContact NH1-O 3.38Å; Y202-S204 PolarHBondContact O-N 3.03Å |
| 205 | V | 90.7 | Very high | 88.7 | Confident | 34 Ų | 34 | 51 Ų | 51 | 21% | 0.206 | 29% | 0.286 | C | S | . | . | B | Isolated β-bridge | trans | -116.9 | 140.9 | 176.2 | 66.5 | 0 | 0 | 0 | 0 | 111.5 | L150 P151 R201 Y202 K203 L210 | L150-V205 HydrophobicContact CD2-CB 4.5Å; L150-V205 HydrophobicContact CD2-CG1 3.85Å; L150-V205 HydrophobicContact CD2-CG2 3.85Å; P151-V205 VanDerWaalsContact CD-CG1 3.49Å; P151-V205 HydrophobicContact CG-CG1 3.86Å; R201-V205 WeakPolarHBondContact CA-O 3.33Å; Y202-V205 PolarHBondContact N-O 2.92Å; Y202-V205 WeakPolarHBondContact O-CG1 3.46Å; Y202-V205 PolarHBondContact O-N 3.34Å; Y202-V205 VanDerWaalsContact O-N 3.14Å; K203-V205 PolarHBondContact O-N 2.63Å; V205-L210 HydrophobicContact CG2-CD2 4.16Å; V205-L210 HydrophobicContact CG2-CG 4.37Å |
| 206 | A | 91.3 | Very high | 88.1 | Confident | 3 Ų | 3 | 49.9 Ų | 49.9 | 3% | 0.025 | 28% | 0.28 | C | S | . | . | trans | -115.3 | 156.8 | 168 | 0 | 0 | 0 | 0 | 0 | 110.6 | S200 R201 N208 D209 | S200-A206 WeakPolarHBondContact O-CB 3.41Å; R201-A206 HydrophobicContact CG-CB 3.86Å; A206-N208 VanDerWaalsContact C-N 3.27Å; A206-N208 PolarHBondContact O-N 2.97Å; A206-D209 PolarHBondContact N-OD2 3.33Å; A206-D209 VanDerWaalsContact O-CB 3.32Å; A206-D209 WeakPolarHBondContact O-CB 2.89Å; A206-D209 PolarHBondContact O-N 3.24Å | ||
| 207 | L | 92.3 | Very high | 87.2 | Confident | 11 Ų | 11 | 50.4 Ų | 50.4 | 6% | 0.058 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59.9 | -39.9 | 177.5 | 175.4 | 60.9 | 0 | 0 | 0 | 111.8 | W144 L150 F196 G198 D209 L210 M211 F255 V256 L281 | W144-L207 HydrophobicContact CH2-CD1 3.73Å; W144-L207 HydrophobicContact CZ3-CD1 3.78Å; L150-L207 HydrophobicContact CD1-CB 4.12Å; L150-L207 HydrophobicContact CD1-CD1 3.74Å; L150-L207 HydrophobicContact CD1-CG 4.49Å; F196-L207 HydrophobicContact CD1-CD2 4.37Å; F196-L207 HydrophobicContact CE1-CD2 3.68Å; F196-L207 HydrophobicContact CZ-CD2 4.48Å; G198-L207 PolarHBondContact O-N 2.87Å; L207-D209 PolarHBondContact O-N 2.86Å; L207-L210 PolarHBondContact O-N 2.89Å; L207-M211 HydrophobicContact CD2-CE 4.42Å; L207-M211 HydrophobicContact CG-CE 3.87Å; L207-M211 HydrophobicContact CG-SD 4.38Å; L207-M211 PolarHBondContact O-N 3.4Å; L207-F255 HydrophobicContact CD1-CB 4.11Å; L207-F255 HydrophobicContact CD1-CD1 4.45Å; L207-V256 HydrophobicContact CD2-CG1 4.31Å; L207-L281 HydrophobicContact CD2-CD2 3.55Å; L207-L281 HydrophobicContact CG-CD2 4.38Å |
| 208 | N | 93 | Very high | 86.3 | Confident | 15 Ų | 15 | 47.2 Ų | 47.2 | 8% | 0.08 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.6 | -24.2 | 176.1 | -79.8 | -20.4 | 0 | 0 | 0 | 113.5 | G198 S199 A206 L210 M211 G280 L281 T282 | G198-N208 VanDerWaalsContact C-CG 3.48Å; G198-N208 VanDerWaalsContact O-CB 3.3Å; G198-N208 WeakPolarHBondContact O-CB 3.34Å; G198-N208 VanDerWaalsContact O-CG 3.3Å; G198-N208 PolarHBondContact O-N 3.34Å; G198-N208 PolarHBondContact O-ND2 2.95Å; S199-N208 PolarHBondContact N-ND2 3.47Å; S199-N208 PolarHBondContact OG-ND2 2.96Å; A206-N208 VanDerWaalsContact C-N 3.27Å; A206-N208 PolarHBondContact O-N 2.97Å; N208-L210 VanDerWaalsContact C-N 3.26Å; N208-L210 PolarHBondContact O-N 3.37Å; N208-M211 HydrophobicContact CB-CE 4.44Å; N208-M211 WeakPolarHBondContact OD1-CE 3.15Å; N208-G280 PolarHBondContact ND2-O 3.46Å; N208-G280 PolarHBondContact OD1-O 2.94Å; N208-L281 WeakPolarHBondContact OD1-CA 3.26Å; N208-T282 VanDerWaalsContact CB-OG1 3.26Å; N208-T282 WeakPolarHBondContact CB-OG1 3.2Å; N208-T282 PolarHBondContact ND2-OG1 3.41Å; N208-T282 PolarHBondContact OD1-N 3.26Å; N208-T282 PolarHBondContact OD1-OG1 3.36Å; N208-T282 VanDerWaalsContact OD1-OG1 3.1Å |
| 209 | D | 91 | Very high | 85.4 | Confident | 57 Ų | 57 | 48.6 Ų | 48.6 | 31% | 0.305 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -67.9 | -30.5 | 174.7 | -61 | -35 | 0 | 0 | 0 | 111.4 | K145 R201 A206 L207 | K145-D209 WeakPolarHBondContact CD-O 3.34Å; K145-D209 PolarHBondContact NZ-O 3.08Å; R201-D209 IonicContact CZ-OD1 3.72Å; R201-D209 IonicContact CZ-OD2 3.23Å; R201-D209 VanDerWaalsContact CZ-OD2 3.23Å; R201-D209 IonicContact NH1-OD1 3.86Å; R201-D209 IonicContact NH1-OD2 2.69Å; R201-D209 PolarHBondContact NH1-OD2 3.16Å; R201-D209 IonicContact NH2-OD1 3.42Å; R201-D209 PolarHBondContact NH2-OD1 3.05Å; R201-D209 IonicContact NH2-OD2 3.84Å; R201-D209 PolarHBondContact NH2-OD2 2.76Å; R201-D209 VanDerWaalsContact NH2-OD2 3.11Å; A206-D209 PolarHBondContact N-OD2 3.33Å; A206-D209 VanDerWaalsContact O-CB 3.32Å; A206-D209 WeakPolarHBondContact O-CB 2.89Å; A206-D209 PolarHBondContact O-N 3.24Å; L207-D209 PolarHBondContact O-N 2.86Å |
| 210 | L | 91.5 | Very high | 84.4 | Confident | 28 Ų | 28 | 47.3 Ų | 47.3 | 15% | 0.147 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -86.8 | -13.1 | -177 | -55 | -174.7 | 0 | 0 | 0 | 113.9 | W144 K145 L150 V205 L207 N208 | W144-L210 HydrophobicContact CE3-CB 4.18Å; W144-L210 HydrophobicContact CZ3-CB 4.07Å; K145-L210 PolarHBondContact N-O 3.1Å; L150-L210 HydrophobicContact CD1-CD1 4.21Å; L150-L210 HydrophobicContact CD2-CD1 3.44Å; L150-L210 VanDerWaalsContact CD2-CD1 3.44Å; L150-L210 HydrophobicContact CD2-CG 4.24Å; L150-L210 HydrophobicContact CG-CD1 3.54Å; V205-L210 HydrophobicContact CG2-CD2 4.16Å; V205-L210 HydrophobicContact CG2-CG 4.37Å; L207-L210 PolarHBondContact O-N 2.89Å; N208-L210 VanDerWaalsContact C-N 3.26Å; N208-L210 PolarHBondContact O-N 3.37Å |
| 211 | M | 89.7 | Confident | 83.6 | Confident | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | B | Isolated β-bridge | trans | -99.6 | 140.9 | -177.9 | -68.2 | -177.4 | -62.1 | 0 | 0 | 111.9 | L142 P143 W144 K145 L207 N208 L281 | L142-M211 HydrophobicContact CD1-SD 4.2Å; L142-M211 HydrophobicContact CD2-SD 4.3Å; P143-M211 CarbonylContact O-C 3.56Å; P143-M211 WeakPolarHBondContact O-CA 3.3Å; W144-M211 HydrophobicContact CE3-CG 4.33Å; W144-M211 HydrophobicContact CZ3-CG 4.25Å; K145-M211 WeakPolarHBondContact CE-O 3.4Å; K145-M211 PolarHBondContact NZ-O 3.42Å; L207-M211 HydrophobicContact CD2-CE 4.42Å; L207-M211 HydrophobicContact CG-CE 3.87Å; L207-M211 HydrophobicContact CG-SD 4.38Å; L207-M211 PolarHBondContact O-N 3.4Å; N208-M211 HydrophobicContact CB-CE 4.44Å; N208-M211 WeakPolarHBondContact OD1-CE 3.15Å; M211-L281 HydrophobicContact CE-CB 3.67Å; M211-L281 HydrophobicContact CE-CD2 3.84Å; M211-L281 HydrophobicContact CE-CG 4.29Å; M211-L281 HydrophobicContact SD-CB 4.1Å; M211-L281 HydrophobicContact SD-CD2 4.44Å |
| 212 | E | 88.1 | Confident | 82.6 | Confident | 25 Ų | 25 | 40.8 Ų | 40.8 | 12% | 0.117 | 24% | 0.236 | C | C | . | . | trans | -72.6 | 137.4 | 166.7 | -60.8 | 179 | -169.8 | 0 | 0 | 109.1 | Q123 R126 P143 K145 G214 G283 | Q123-E212 WeakPolarHBondContact CG-OE2 3.46Å; Q123-E212 PolarHBondContact NE2-OE2 3.05Å; R126-E212 IonicContact NH1-OE1 2.69Å; P143-E212 HydrophobicContact CB-CB 4.26Å; P143-E212 WeakPolarHBondContact CG-O 3.08Å; P143-E212 PolarHBondContact O-N 2.82Å; K145-E212 HydrophobicContact CB-CG 4.26Å; K145-E212 HydrophobicContact CG-CB 4.44Å; K145-E212 HydrophobicContact CG-CG 3.49Å; K145-E212 VanDerWaalsContact CG-CG 3.49Å; E212-G214 PolarHBondContact O-N 3.43Å; E212-G283 WeakPolarHBondContact O-CA 3.47Å | ||
| 213 | A | 85 | Confident | 81.7 | Confident | 57 Ų | 57 | 38 Ų | 38 | 47% | 0.471 | 23% | 0.226 | S | C | . | . | trans | -69.3 | -22.8 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | T282 F286 | A213-T282 HydrophobicContact CB-CG2 3.71Å; A213-F286 WeakPolarHBondContact O-CB 3.32Å | ||
| 214 | G | 80.9 | Confident | 81.2 | Confident | 20 Ų | 20 | 30.8 Ų | 30.8 | 21% | 0.206 | 19% | 0.194 | C | C | . | . | trans | 74.9 | 166.4 | -168.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | E212 | E212-G214 PolarHBondContact O-N 3.43Š| ||
| 215 | P | 79.9 | Confident | 80.6 | Confident | 19 Ų | 19 | 26.1 Ų | 26.1 | 12% | 0.123 | 16% | 0.161 | C | C | . | . | trans | -69.5 | 158.8 | 173.8 | 32.6 | -37.9 | 0 | 0 | 0 | 111.2 | A120 Q123 L217 F286 | A120-P215 HydrophobicContact CB-CB 3.52Å; A120-P215 HydrophobicContact CB-CG 3.94Å; Q123-P215 VanDerWaalsContact OE1-CD 3.26Å; P215-L217 HydrophobicContact CG-CD2 4.26Å; P215-L217 PolarHBondContact O-N 2.88Å; P215-F286 VanDerWaalsContact CD-CE2 3.44Å; P215-F286 HydrophobicContact CG-CD2 4.44Å; P215-F286 HydrophobicContact CG-CE2 3.84Å; P215-F286 HydrophobicContact CG-CZ 4.44Å | ||
| 216 | P | 70.4 | Confident | 79.9 | Confident | 64 Ų | 64 | 26.1 Ų | 26.1 | 42% | 0.416 | 16% | 0.16 | S | C | . | . | trans | -62.5 | 104.2 | 169.4 | 28.2 | -34.5 | 0 | 0 | 0 | 109.9 | I110 | I110-P216 HydrophobicContact CG2-CB 3.55Š| ||
| 217 | L | 71.4 | Confident | 79.4 | Confident | 44 Ų | 44 | 26.3 Ų | 26.3 | 23% | 0.23 | 16% | 0.16 | C | C | . | . | trans | -91.3 | -8 | 169.6 | -65.6 | -175 | 0 | 0 | 0 | 112.8 | L124 P215 A219 F286 I289 A290 | L124-L217 HydrophobicContact CD1-CD1 3.91Å; L124-L217 HydrophobicContact CD1-CD2 4.35Å; L124-L217 HydrophobicContact CD2-CD2 4.14Å; P215-L217 HydrophobicContact CG-CD2 4.26Å; P215-L217 PolarHBondContact O-N 2.88Å; L217-A219 PolarHBondContact O-N 3.49Å; L217-F286 HydrophobicContact CD1-CD2 3.53Å; L217-F286 HydrophobicContact CD1-CE2 3.4Å; L217-F286 HydrophobicContact CD2-CE2 4.31Å; L217-F286 HydrophobicContact CG-CD2 3.71Å; L217-F286 HydrophobicContact CG-CE2 3.68Å; L217-I289 HydrophobicContact CB-CB 4.38Å; L217-I289 HydrophobicContact CB-CG2 3.7Å; L217-I289 HydrophobicContact CD1-CG2 4.22Å; L217-A290 HydrophobicContact CD1-CB 3.83Å | ||
| 218 | Q | 69.4 | Low | 79.1 | Confident | 38 Ų | 38 | 25.8 Ų | 25.8 | 18% | 0.178 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -67.8 | 133.7 | 179.9 | -66.9 | -179 | 16.2 | 0 | 0 | 109.4 | I110 I289 Y315 | I110-Q218 VanDerWaalsContact CD1-CD 3.41Å; Q218-I289 HydrophobicContact CG-CD1 3.33Å; Q218-Y315 HydrophobicContact CB-CD2 4.49Å |
| 219 | A | 68.1 | Low | 78.7 | Confident | 29 Ų | 29 | 27.7 Ų | 27.7 | 24% | 0.24 | 16% | 0.163 | C | C | . | . | P | Polyproline II helix | trans | -65.2 | 151.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | L217 L221 I224 Q312 | L217-A219 PolarHBondContact O-N 3.49Å; A219-L221 PolarHBondContact O-N 3.04Å; A219-L221 VanDerWaalsContact O-N 3.16Å; A219-I224 HydrophobicContact CB-CD1 3.87Å; A219-I224 HydrophobicContact CB-CG1 3.78Å; A219-Q312 WeakPolarHBondContact CB-O 3.45Å |
| 220 | D | 70.2 | Confident | 78.1 | Confident | 49 Ų | 49 | 27.4 Ų | 27.4 | 26% | 0.262 | 16% | 0.158 | S | C | . | . | P | Polyproline II helix | trans | -57.2 | 121.1 | 177.2 | 176.6 | 74.4 | 0 | 0 | 0 | 110 | K20 V222 G223 I224 | K20-D220 WeakPolarHBondContact CE-OD1 3.37Å; K20-D220 IonicContact NZ-OD1 2.94Å; K20-D220 PolarHBondContact NZ-OD1 2.9Å; K20-D220 IonicContact NZ-OD2 3.43Å; D220-V222 PolarHBondContact O-N 2.77Å; D220-V222 VanDerWaalsContact OD2-CB 3.26Å; D220-V222 WeakPolarHBondContact OD2-CB 3.33Å; D220-V222 PolarHBondContact OD2-N 2.92Å; D220-G223 CarbonylContact O-C 3.54Å; D220-G223 WeakPolarHBondContact O-CA 3.33Å; D220-G223 PolarHBondContact O-N 3.45Å; D220-G223 PolarHBondContact OD2-N 2.75Å; D220-I224 WeakPolarHBondContact O-CG1 3.36Å; D220-I224 PolarHBondContact O-N 2.86Å |
| 221 | L | 71 | Confident | 77.8 | Confident | 14 Ų | 14 | 28.1 Ų | 28.1 | 7% | 0.073 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.9 | -34.6 | -171.7 | -164.7 | 54.9 | 0 | 0 | 0 | 112.4 | W103 A219 I224 L225 Y315 L376 | W103-L221 HydrophobicContact CB-CD2 4.24Å; W103-L221 HydrophobicContact CD2-CB 4.39Å; W103-L221 HydrophobicContact CD2-CD2 4.02Å; W103-L221 HydrophobicContact CD2-CG 4.28Å; W103-L221 HydrophobicContact CG-CD2 3.55Å; W103-L221 HydrophobicContact CG-CG 4.31Å; W103-L221 VanDerWaalsContact NE1-CD2 3.33Å; A219-L221 PolarHBondContact O-N 3.04Å; A219-L221 VanDerWaalsContact O-N 3.16Å; L221-I224 HydrophobicContact CD1-CD1 4.24Å; L221-I224 PolarHBondContact O-N 2.87Å; L221-L225 WeakPolarHBondContact O-CG 3.45Å; L221-L225 PolarHBondContact O-N 3.33Å; L221-Y315 HydrophobicContact CD1-CD1 4.3Å; L221-Y315 HydrophobicContact CD1-CD2 3.68Å; L221-Y315 HydrophobicContact CD1-CE2 3.97Å; L221-Y315 HydrophobicContact CD1-CG 3.86Å; L221-Y315 HydrophobicContact CD2-CE2 4.29Å; L221-L376 HydrophobicContact CD1-CB 3.94Å; L221-L376 HydrophobicContact CD1-CD1 3.85Å; L221-L376 HydrophobicContact CD1-CD2 3.93Å; L221-L376 HydrophobicContact CD1-CG 4.12Å |
| 222 | V | 70.9 | Confident | 77.6 | Confident | 29 Ų | 29 | 35 Ų | 35 | 18% | 0.176 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.4 | -49 | 173.5 | -159.3 | 0 | 0 | 0 | 0 | 109.8 | F16 W103 D220 I224 L225 L226 | F16-V222 HydrophobicContact CE1-CG1 3.95Å; F16-V222 HydrophobicContact CZ-CG1 4.16Å; W103-V222 HydrophobicContact CE3-CG2 3.74Å; W103-V222 HydrophobicContact CH2-CB 4.24Å; W103-V222 HydrophobicContact CH2-CG1 4.16Å; W103-V222 HydrophobicContact CH2-CG2 4.01Å; W103-V222 HydrophobicContact CZ3-CB 3.91Å; W103-V222 HydrophobicContact CZ3-CG1 4.03Å; W103-V222 HydrophobicContact CZ3-CG2 3.21Å; D220-V222 PolarHBondContact O-N 2.77Å; D220-V222 VanDerWaalsContact OD2-CB 3.26Å; D220-V222 WeakPolarHBondContact OD2-CB 3.33Å; D220-V222 PolarHBondContact OD2-N 2.92Å; V222-I224 VanDerWaalsContact C-N 3.31Å; V222-I224 PolarHBondContact O-N 3.4Å; V222-L225 PolarHBondContact O-N 3.43Å; V222-L226 HydrophobicContact CG1-CD1 4.13Å; V222-L226 HydrophobicContact CG1-CG 4.49Å; V222-L226 WeakPolarHBondContact O-CB 3.44Å; V222-L226 VanDerWaalsContact O-CG 3.25Å; V222-L226 WeakPolarHBondContact O-CG 3.38Å; V222-L226 PolarHBondContact O-N 3.23Å |
| 223 | G | 72.5 | Confident | 77.7 | Confident | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.01 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -54.1 | -47.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | D220 L225 L226 R227 | D220-G223 CarbonylContact O-C 3.54Å; D220-G223 WeakPolarHBondContact O-CA 3.33Å; D220-G223 PolarHBondContact O-N 3.45Å; D220-G223 PolarHBondContact OD2-N 2.75Å; G223-L225 VanDerWaalsContact C-N 3.35Å; G223-L225 PolarHBondContact O-N 2.75Å; G223-L226 PolarHBondContact O-N 3.33Å; G223-R227 VanDerWaalsContact C-CZ 3.4Å; G223-R227 WeakPolarHBondContact O-CG 3.08Å; G223-R227 PolarHBondContact O-N 3.02Å; G223-R227 PolarHBondContact O-NH1 3.44Å; G223-R227 VanDerWaalsContact O-NH1 3.14Å |
| 224 | I | 79.3 | Confident | 78.1 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -59 | -47.1 | 178 | -60.1 | 173 | 0 | 0 | 0 | 110.4 | A219 D220 L221 V222 L226 R227 F228 N313 Y315 V320 L376 | A219-I224 HydrophobicContact CB-CD1 3.87Å; A219-I224 HydrophobicContact CB-CG1 3.78Å; D220-I224 WeakPolarHBondContact O-CG1 3.36Å; D220-I224 PolarHBondContact O-N 2.86Å; L221-I224 HydrophobicContact CD1-CD1 4.24Å; L221-I224 PolarHBondContact O-N 2.87Å; V222-I224 VanDerWaalsContact C-N 3.31Å; V222-I224 PolarHBondContact O-N 3.4Å; I224-L226 PolarHBondContact O-N 3.08Å; I224-R227 VanDerWaalsContact CG1-NH2 3.29Å; I224-R227 CarbonylContact O-C 3.46Å; I224-R227 PolarHBondContact O-N 3.21Å; I224-F228 WeakPolarHBondContact O-CB 3.48Å; I224-F228 PolarHBondContact O-N 3.09Å; I224-N313 HydrophobicContact CG2-CB 4.29Å; I224-Y315 HydrophobicContact CD1-CD2 4.24Å; I224-V320 HydrophobicContact CG2-CG2 3.23Å; I224-L376 HydrophobicContact CB-CD1 4.23Å; I224-L376 HydrophobicContact CG2-CD1 3.6Å |
| 225 | L | 76.7 | Confident | 78.6 | Confident | 11 Ų | 11 | 30.8 Ų | 30.8 | 6% | 0.058 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -66.4 | -37.9 | 179.9 | -74.7 | 165.1 | 0 | 0 | 0 | 113.2 | W103 L221 V222 G223 F228 R229 L376 I378 L387 | W103-L225 HydrophobicContact CH2-CD1 3.68Å; W103-L225 HydrophobicContact CZ2-CD1 3.04Å; L221-L225 WeakPolarHBondContact O-CG 3.45Å; L221-L225 PolarHBondContact O-N 3.33Å; V222-L225 PolarHBondContact O-N 3.43Å; G223-L225 VanDerWaalsContact C-N 3.35Å; G223-L225 PolarHBondContact O-N 2.75Å; L225-F228 PolarHBondContact O-N 2.65Å; L225-R229 WeakPolarHBondContact O-CG 3.3Å; L225-R229 PolarHBondContact O-N 3.11Å; L225-L376 HydrophobicContact CD2-CB 4.36Å; L225-L376 HydrophobicContact CD2-CD1 3.7Å; L225-L376 HydrophobicContact CG-CD1 3.83Å; L225-I378 HydrophobicContact CD1-CD1 3.81Å; L225-L387 HydrophobicContact CD2-CD1 3.93Å |
| 226 | L | 75.3 | Confident | 79.2 | Confident | 33 Ų | 33 | 30.9 Ų | 30.9 | 17% | 0.173 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.4 | -44.3 | 173.7 | -70.4 | 166.6 | 0 | 0 | 0 | 110.6 | M21 V89 V222 G223 I224 F228 R229 R230 | M21-L226 HydrophobicContact CE-CD1 3.45Å; M21-L226 VanDerWaalsContact CE-CD1 3.45Å; M21-L226 HydrophobicContact CE-CD2 3.58Å; M21-L226 HydrophobicContact CE-CG 4.08Å; M21-L226 HydrophobicContact CG-CD1 4.18Å; V89-L226 HydrophobicContact CG2-CD2 4.47Å; V222-L226 HydrophobicContact CG1-CD1 4.13Å; V222-L226 HydrophobicContact CG1-CG 4.49Å; V222-L226 WeakPolarHBondContact O-CB 3.44Å; V222-L226 VanDerWaalsContact O-CG 3.25Å; V222-L226 WeakPolarHBondContact O-CG 3.38Å; V222-L226 PolarHBondContact O-N 3.23Å; G223-L226 PolarHBondContact O-N 3.33Å; I224-L226 PolarHBondContact O-N 3.08Å; L226-F228 VanDerWaalsContact C-N 3.32Å; L226-F228 PolarHBondContact O-N 2.88Å; L226-R229 PolarHBondContact O-N 3.09Å; L226-R230 WeakPolarHBondContact O-CB 3.39Å; L226-R230 PolarHBondContact O-N 3.16Å |
| 227 | R | 80.8 | Confident | 80.3 | Confident | 8 Ų | 8 | 28.2 Ų | 28.2 | 3% | 0.03 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -66 | -33.9 | 174.7 | -68.4 | -174.7 | -58.8 | -84 | 3.1 | 112.1 | E24 G223 I224 R230 Q312 N313 S322 | E24-R227 IonicContact OE1-NH1 3.57Å; E24-R227 PolarHBondContact OE1-NH1 2.84Å; E24-R227 IonicContact OE2-CZ 2.7Å; E24-R227 IonicContact OE2-NH1 3.74Å; E24-R227 PolarHBondContact OE2-NH1 3.3Å; G223-R227 VanDerWaalsContact C-CZ 3.4Å; G223-R227 WeakPolarHBondContact O-CG 3.08Å; G223-R227 PolarHBondContact O-N 3.02Å; G223-R227 PolarHBondContact O-NH1 3.44Å; G223-R227 VanDerWaalsContact O-NH1 3.14Å; I224-R227 VanDerWaalsContact CG1-NH2 3.29Å; I224-R227 CarbonylContact O-C 3.46Å; I224-R227 PolarHBondContact O-N 3.21Å; R227-R230 WeakPolarHBondContact O-CB 3.38Å; R227-R230 PolarHBondContact O-N 3.43Å; R227-Q312 PolarHBondContact NH2-O 3.1Å; R227-N313 WeakPolarHBondContact CD-OD1 3.28Å; R227-N313 PolarHBondContact NE-OD1 3.22Å; R227-S322 PolarHBondContact O-OG 3.32Å |
| 228 | F | 86.2 | Confident | 81.1 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -70.3 | -30.6 | 175.4 | -179 | -121.9 | 0 | 0 | 0 | 113.2 | I224 L225 L226 A234 Q236 V320 S321 S322 T375 W380 | I224-F228 WeakPolarHBondContact O-CB 3.48Å; I224-F228 PolarHBondContact O-N 3.09Å; L225-F228 PolarHBondContact O-N 2.65Å; L226-F228 VanDerWaalsContact C-N 3.32Å; L226-F228 PolarHBondContact O-N 2.88Å; F228-A234 HydrophobicContact CD2-CB 4.25Å; F228-A234 HydrophobicContact CE2-CB 3.69Å; F228-A234 HydrophobicContact CZ-CB 3.89Å; F228-Q236 HydrophobicContact CE2-CB 4.49Å; F228-V320 HydrophobicContact CB-CB 4.34Å; F228-V320 HydrophobicContact CB-CG2 4Å; F228-V320 HydrophobicContact CD2-CB 3.59Å; F228-V320 HydrophobicContact CD2-CG2 4.18Å; F228-V320 HydrophobicContact CE2-CB 3.98Å; F228-V320 HydrophobicContact CG-CB 3.98Å; F228-V320 HydrophobicContact CG-CG2 4.14Å; F228-S321 VanDerWaalsContact CD2-O 3.31Å; F228-S321 WeakPolarHBondContact CD2-O 3.42Å; F228-S322 VanDerWaalsContact O-CB 3.29Å; F228-S322 WeakPolarHBondContact O-CB 3.25Å; F228-T375 HydrophobicContact CD1-CG2 4.2Å; F228-T375 HydrophobicContact CE1-CG2 3.78Å; F228-T375 HydrophobicContact CZ-CG2 4.17Å; F228-W380 AromaticContact CE1-CD2 3.98Å; F228-W380 HydrophobicContact CE1-CD2 3.98Å; F228-W380 HydrophobicContact CE1-CE3 4.24Å; F228-W380 HydrophobicContact CE1-CG 4.3Å; F228-W380 HydrophobicContact CE1-CZ2 4.45Å; F228-W380 HydrophobicContact CE2-CH2 4.45Å; F228-W380 AromaticContact CZ-CD2 3.86Å; F228-W380 HydrophobicContact CZ-CD2 3.86Å; F228-W380 AromaticContact CZ-CE2 3.87Å; F228-W380 AromaticContact CZ-CE3 3.76Å; F228-W380 HydrophobicContact CZ-CE3 3.76Å; F228-W380 AromaticContact CZ-CH2 3.77Å; F228-W380 HydrophobicContact CZ-CH2 3.77Å; F228-W380 AromaticContact CZ-CZ2 3.83Å; F228-W380 HydrophobicContact CZ-CZ2 3.83Å; F228-W380 AromaticContact CZ-CZ3 3.74Å; F228-W380 HydrophobicContact CZ-CZ3 3.74Å |
| 229 | R | 85.4 | Confident | 82 | Confident | 54 Ų | 54 | 25.5 Ų | 25.5 | 20% | 0.204 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | 1.7 | 176.8 | -65.2 | -57.7 | -54.3 | 113.8 | -3.7 | 114.2 | L87 L225 L226 D385 L387 | L87-R229 HydrophobicContact CD1-CB 3.74Å; L87-R229 WeakPolarHBondContact CD1-O 3.48Å; L87-R229 HydrophobicContact CD2-CB 3.74Å; L87-R229 HydrophobicContact CG-CB 3.95Å; L225-R229 WeakPolarHBondContact O-CG 3.3Å; L225-R229 PolarHBondContact O-N 3.11Å; L226-R229 PolarHBondContact O-N 3.09Å; R229-D385 IonicContact CZ-OD1 3.49Å; R229-D385 VanDerWaalsContact CZ-OD1 3.24Å; R229-D385 IonicContact CZ-OD2 3.62Å; R229-D385 PolarHBondContact NE-O 3.47Å; R229-D385 IonicContact NE-OD1 3.44Å; R229-D385 IonicContact NH1-OD1 2.81Å; R229-D385 PolarHBondContact NH1-OD1 2.95Å; R229-D385 IonicContact NH1-OD2 3.26Å; R229-D385 PolarHBondContact NH1-OD2 2.9Å; R229-D385 PolarHBondContact NH2-O 3.26Å; R229-D385 IonicContact NH2-OD1 3.36Å; R229-D385 IonicContact NH2-OD2 2.72Å; R229-D385 PolarHBondContact NH2-OD2 3.35Å; R229-L387 HydrophobicContact CG-CD1 3.86Å; R229-L387 HydrophobicContact CG-CG 4.36Å |
| 230 | R | 78.4 | Confident | 83 | Confident | 51 Ų | 51 | 25.8 Ų | 25.8 | 19% | 0.192 | 12% | 0.12 | C | C | . | . | S | Bend | trans | -67.2 | -39.7 | -171.1 | -177.2 | 171.2 | 56.9 | 174.9 | 2.6 | 113.8 | L226 R227 S322 | L226-R230 WeakPolarHBondContact O-CB 3.39Å; L226-R230 PolarHBondContact O-N 3.16Å; R227-R230 WeakPolarHBondContact O-CB 3.38Å; R227-R230 PolarHBondContact O-N 3.43Å; R230-S322 PolarHBondContact N-OG 3.45Å |
| 231 | F | 83.9 | Confident | 83.7 | Confident | 43 Ų | 43 | 29.5 Ų | 29.5 | 19% | 0.189 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -125.5 | 167.4 | -174 | -53.9 | -62.3 | 0 | 0 | 0 | 112.2 | V233 S322 Y323 C324 | F231-V233 PolarHBondContact O-N 2.86Å; F231-S322 WeakPolarHBondContact CD2-O 3.41Å; F231-S322 PolarHBondContact N-OG 3.07Å; F231-Y323 WeakPolarHBondContact CB-O 3.36Å; F231-C324 WeakPolarHBondContact CD1-SG 3.39Å; F231-C324 VanDerWaalsContact CE1-SG 3.58Å |
| 232 | K | 85.3 | Confident | 84.5 | Confident | 146 Ų | 146 | 28.9 Ų | 28.9 | 64% | 0.635 | 13% | 0.131 | S | C | * | . | S | Bend | trans | -62.6 | -36.2 | -169 | -173.6 | 177 | -179.9 | 178 | 0 | 114.1 | Y323 S353 | K232-Y323 PolarHBondContact N-O 3.2Å; K232-S353 PolarHBondContact O-OG 2.64Å |
| 233 | V | 90.4 | Very high | 85.3 | Confident | 8 Ų | 8 | 27.8 Ų | 27.8 | 5% | 0.048 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 95.2 | -175.8 | -174.3 | 0 | 0 | 0 | 0 | 109.3 | F231 V235 S322 Y323 A329 C354 A357 | F231-V233 PolarHBondContact O-N 2.86Å; V233-V235 HydrophobicContact CG1-CG2 4.3Å; V233-S322 CarbonylContact O-C 3.56Å; V233-S322 WeakPolarHBondContact O-CA 3.28Å; V233-Y323 PolarHBondContact N-O 3.29Å; V233-Y323 PolarHBondContact O-N 2.92Å; V233-A329 HydrophobicContact CB-CB 4.18Å; V233-A329 HydrophobicContact CG1-CB 3.57Å; V233-C354 HydrophobicContact CG1-CB 3.96Å; V233-C354 HydrophobicContact CG2-CB 4.46Å; V233-A357 HydrophobicContact CG1-CB 3.96Å |
| 234 | A | 92.8 | Very high | 86.1 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 132.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110 | F228 S321 S352 S353 W380 | F228-A234 HydrophobicContact CD2-CB 4.25Å; F228-A234 HydrophobicContact CE2-CB 3.69Å; F228-A234 HydrophobicContact CZ-CB 3.89Å; A234-S321 CarbonylContact C-O 3.34Å; A234-S321 WeakPolarHBondContact CA-O 3.38Å; A234-S352 CarbonylContact O-C 3.55Å; A234-S352 WeakPolarHBondContact O-CA 3.19Å; A234-S352 PolarHBondContact O-OG 3.06Å; A234-S353 PolarHBondContact N-OG 3.16Å; A234-S353 PolarHBondContact O-N 2.81Å; A234-W380 HydrophobicContact CB-CH2 4.1Å; A234-W380 HydrophobicContact CB-CZ2 3.69Å |
| 235 | V | 93 | Very high | 86.8 | Confident | 5 Ų | 5 | 30.1 Ų | 30.1 | 3% | 0.03 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 131.9 | -179.4 | 179.8 | 0 | 0 | 0 | 0 | 108.9 | V233 V320 S321 Y323 A329 W350 T351 V358 | V233-V235 HydrophobicContact CG1-CG2 4.3Å; V235-V320 CarbonylContact O-C 3.19Å; V235-V320 WeakPolarHBondContact O-CA 3.38Å; V235-S321 PolarHBondContact N-O 3.22Å; V235-S321 PolarHBondContact O-N 2.98Å; V235-S321 VanDerWaalsContact O-O 3.11Å; V235-Y323 HydrophobicContact CB-CE2 4.17Å; V235-Y323 HydrophobicContact CG2-CD2 4.08Å; V235-Y323 HydrophobicContact CG2-CE2 4.02Å; V235-A329 HydrophobicContact CG2-CB 4.25Å; V235-W350 HydrophobicContact CG1-CE3 4.13Å; V235-W350 HydrophobicContact CG1-CZ3 4.19Å; V235-T351 WeakPolarHBondContact CA-O 3.35Å; V235-V358 HydrophobicContact CG1-CG1 3.88Å |
| 236 | Q | 92.9 | Very high | 87.6 | Confident | 21 Ų | 21 | 29.6 Ų | 29.6 | 10% | 0.098 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 153.4 | 168.5 | 72 | 173.6 | 4.5 | 0 | 0 | 111.6 | F228 L319 V320 W350 T351 T375 W380 | F228-Q236 HydrophobicContact CE2-CB 4.49Å; Q236-L319 CarbonylContact C-O 3.6Å; Q236-L319 WeakPolarHBondContact CA-O 3.44Å; Q236-V320 HydrophobicContact CB-CB 4.47Å; Q236-V320 HydrophobicContact CB-CG1 3.83Å; Q236-W350 WeakPolarHBondContact O-CA 3.25Å; Q236-T351 PolarHBondContact N-O 3.5Å; Q236-T351 PolarHBondContact O-N 3.26Å; Q236-T375 PolarHBondContact OE1-OG1 3.33Å; Q236-W380 HydrophobicContact CG-CE3 4.39Å; Q236-W380 HydrophobicContact CG-CZ3 3.89Å |
| 237 | V | 92.2 | Very high | 88.7 | Confident | 8 Ų | 8 | 29.5 Ų | 29.5 | 5% | 0.048 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 150.1 | 179 | 66.9 | 0 | 0 | 0 | 0 | 110.7 | L319 L347 K348 W350 | V237-L319 HydrophobicContact CG1-CB 3.79Å; V237-L319 HydrophobicContact CG1-CD2 3.93Å; V237-L319 HydrophobicContact CG1-CG 4.12Å; V237-L319 PolarHBondContact N-O 2.79Å; V237-L319 PolarHBondContact O-N 3.25Å; V237-L347 HydrophobicContact CG1-CD1 4.14Å; V237-L347 HydrophobicContact CG1-CD2 4.13Å; V237-L347 HydrophobicContact CG2-CB 3.69Å; V237-L347 HydrophobicContact CG2-CD1 4.34Å; V237-L347 HydrophobicContact CG2-CD2 4.16Å; V237-L347 HydrophobicContact CG2-CG 4.29Å; V237-K348 WeakPolarHBondContact CG2-O 3.1Å; V237-W350 HydrophobicContact CB-CD2 3.96Å; V237-W350 HydrophobicContact CB-CE3 3.79Å; V237-W350 HydrophobicContact CB-CH2 4.37Å; V237-W350 HydrophobicContact CB-CZ3 4Å; V237-W350 HydrophobicContact CG1-CE3 4.42Å; V237-W350 HydrophobicContact CG1-CH2 4.28Å; V237-W350 HydrophobicContact CG1-CZ3 4.12Å; V237-W350 HydrophobicContact CG2-CD2 3.44Å; V237-W350 VanDerWaalsContact CG2-CD2 3.44Å; V237-W350 VanDerWaalsContact CG2-CE2 3.41Å; V237-W350 HydrophobicContact CG2-CE3 3.79Å; V237-W350 HydrophobicContact CG2-CG 3.89Å; V237-W350 HydrophobicContact CG2-CH2 4.12Å; V237-W350 HydrophobicContact CG2-CZ2 3.79Å; V237-W350 HydrophobicContact CG2-CZ3 4.1Å |
| 238 | D | 89 | Confident | 89.4 | Confident | 25 Ų | 25 | 29.2 Ų | 29.2 | 13% | 0.134 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 133.9 | -179.5 | 176.7 | 47.6 | 0 | 0 | 0 | 110.1 | E240 N317 K348 K349 | D238-E240 PolarHBondContact O-N 2.85Å; D238-N317 WeakPolarHBondContact CA-O 3.21Å; D238-K348 PolarHBondContact N-O 3.25Å; D238-K348 PolarHBondContact O-N 3.32Å; D238-K349 HydrophobicContact CB-CB 4.3Å; D238-K349 HydrophobicContact CB-CD 3.96Å; D238-K349 HydrophobicContact CB-CG 4.4Å; D238-K349 WeakPolarHBondContact OD2-CE 3.3Å; D238-K349 IonicContact OD2-NZ 3.19Å; D238-K349 PolarHBondContact OD2-NZ 3.29Å |
| 239 | I | 88.6 | Confident | 89.8 | Confident | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.005 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 109.7 | 173.8 | -55.2 | 177.2 | 0 | 0 | 0 | 108.6 | K241 M242 I292 M314 N317 L340 F345 L347 | I239-K241 PolarHBondContact O-N 3.46Å; I239-K241 VanDerWaalsContact O-N 3.1Å; I239-M242 HydrophobicContact CB-CB 4.28Å; I239-M242 HydrophobicContact CB-SD 4.49Å; I239-M242 HydrophobicContact CD1-SD 4.09Å; I239-M242 HydrophobicContact CG2-CB 3.79Å; I239-M242 HydrophobicContact CG2-CG 4.03Å; I239-M242 HydrophobicContact CG2-SD 4.44Å; I239-I292 HydrophobicContact CD1-CD1 3.45Å; I239-I292 VanDerWaalsContact CD1-CD1 3.45Å; I239-I292 HydrophobicContact CG2-CD1 4.45Å; I239-M314 HydrophobicContact CD1-CG 4.47Å; I239-M314 HydrophobicContact CD1-SD 3.68Å; I239-N317 HydrophobicContact CB-CB 4.43Å; I239-N317 WeakPolarHBondContact CG1-O 3.41Å; I239-N317 PolarHBondContact N-O 2.72Å; I239-L340 HydrophobicContact CD1-CD1 4.23Å; I239-L340 HydrophobicContact CG1-CD1 4.46Å; I239-F345 HydrophobicContact CG2-CB 3.99Å; I239-F345 HydrophobicContact CG2-CD1 4.07Å; I239-F345 HydrophobicContact CG2-CG 4.5Å; I239-L347 HydrophobicContact CB-CD2 4.45Å; I239-L347 HydrophobicContact CG1-CD2 3.68Å |
| 240 | E | 88.3 | Confident | 90.3 | Very high | 34 Ų | 34 | 35.4 Ų | 35.4 | 16% | 0.159 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | 116 | -173.8 | -176.8 | 173.2 | -134.4 | 0 | 0 | 111.6 | D238 M242 Q245 D346 K348 | D238-E240 PolarHBondContact O-N 2.85Å; E240-M242 PolarHBondContact O-N 3.25Å; E240-Q245 PolarHBondContact O-NE2 3.08Å; E240-D346 WeakPolarHBondContact CB-O 3.47Å; E240-D346 PolarHBondContact N-O 2.88Å; E240-K348 HydrophobicContact CB-CD 4.24Å; E240-K348 HydrophobicContact CB-CG 4.33Å; E240-K348 HydrophobicContact CG-CD 4.39Å; E240-K348 IonicContact OE1-NZ 3.82Å; E240-K348 PolarHBondContact OE1-NZ 2.86Å; E240-K348 VanDerWaalsContact OE1-NZ 3.16Å; E240-K348 WeakPolarHBondContact OE2-CD 3.4Å; E240-K348 WeakPolarHBondContact OE2-CE 3.42Å; E240-K348 IonicContact OE2-NZ 2.86Å; E240-K348 PolarHBondContact OE2-NZ 2.81Å |
| 241 | K | 85.3 | Confident | 91 | Very high | 128 Ų | 128 | 38.2 Ų | 38.2 | 56% | 0.557 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.2 | 42.6 | 173.7 | -57.2 | 171.4 | -177.7 | 178.8 | 0 | 111.6 | I239 F243 M244 Q245 | I239-K241 PolarHBondContact O-N 3.46Å; I239-K241 VanDerWaalsContact O-N 3.1Å; K241-F243 VanDerWaalsContact C-N 3.34Å; K241-F243 PolarHBondContact O-N 3.19Å; K241-F243 VanDerWaalsContact O-N 3.13Å; K241-M244 HydrophobicContact CB-CB 4.1Å; K241-M244 HydrophobicContact CB-CG 4.38Å; K241-M244 WeakPolarHBondContact O-CA 3.45Å; K241-M244 WeakPolarHBondContact O-CB 3.23Å; K241-M244 PolarHBondContact O-N 2.7Å; K241-Q245 PolarHBondContact O-N 3.19Å |
| 242 | M | 87.8 | Confident | 91.5 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -39 | -54.2 | -174.8 | -176 | 171.1 | 162.1 | 0 | 0 | 114.4 | I239 E240 M244 Q245 A288 I289 I292 M314 V316 N317 F345 | I239-M242 HydrophobicContact CB-CB 4.28Å; I239-M242 HydrophobicContact CB-SD 4.49Å; I239-M242 HydrophobicContact CD1-SD 4.09Å; I239-M242 HydrophobicContact CG2-CB 3.79Å; I239-M242 HydrophobicContact CG2-CG 4.03Å; I239-M242 HydrophobicContact CG2-SD 4.44Å; E240-M242 PolarHBondContact O-N 3.25Å; M242-M244 VanDerWaalsContact C-N 3.32Å; M242-M244 PolarHBondContact O-N 3.23Å; M242-Q245 WeakPolarHBondContact O-CB 3.42Å; M242-Q245 PolarHBondContact O-N 2.83Å; M242-A288 HydrophobicContact CE-CB 3.5Å; M242-A288 WeakPolarHBondContact CE-O 3.26Å; M242-A288 HydrophobicContact CG-CB 4.17Å; M242-A288 HydrophobicContact SD-CB 4.33Å; M242-I289 HydrophobicContact CE-CG1 4.34Å; M242-I292 HydrophobicContact CE-CB 4.35Å; M242-I292 HydrophobicContact CE-CD1 3.25Å; M242-I292 HydrophobicContact CE-CG1 3.71Å; M242-I292 HydrophobicContact CG-CD1 3.84Å; M242-I292 HydrophobicContact SD-CD1 3.58Å; M242-I292 VanDerWaalsContact SD-CD1 3.58Å; M242-M314 HydrophobicContact CE-CE 4.12Å; M242-M314 HydrophobicContact CE-SD 4.23Å; M242-V316 VanDerWaalsContact SD-O 3.37Å; M242-N317 WeakPolarHBondContact CB-OD1 3.33Å; M242-N317 PolarHBondContact SD-OD1 3.35Å; M242-N317 VanDerWaalsContact SD-OD1 3.38Å; M242-F345 HydrophobicContact CG-CD1 4.32Å; M242-F345 HydrophobicContact CG-CE1 4.27Å |
| 243 | F | 87.4 | Confident | 92 | Very high | 7 Ų | 7 | 31.6 Ų | 31.6 | 3% | 0.031 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -54.7 | -46.3 | 177.7 | -54.7 | -75.5 | 0 | 0 | 0 | 112.8 | K241 Q245 I246 V277 F279 S284 A288 V316 | K241-F243 VanDerWaalsContact C-N 3.34Å; K241-F243 PolarHBondContact O-N 3.19Å; K241-F243 VanDerWaalsContact O-N 3.13Å; F243-Q245 PolarHBondContact O-N 3.4Å; F243-Q245 VanDerWaalsContact O-N 3.1Å; F243-I246 PolarHBondContact O-N 3.17Å; F243-I246 VanDerWaalsContact O-N 3.09Å; F243-V277 CarbonylContact C-O 3.55Å; F243-V277 HydrophobicContact CB-CG1 4.28Å; F243-V277 WeakPolarHBondContact CB-O 3.44Å; F243-V277 HydrophobicContact CD1-CG1 4.25Å; F243-V277 VanDerWaalsContact O-O 3.13Å; F243-F279 HydrophobicContact CD2-CD1 4.03Å; F243-F279 HydrophobicContact CD2-CD2 4.3Å; F243-F279 AromaticContact CD2-CE1 3.47Å; F243-F279 HydrophobicContact CD2-CE1 3.47Å; F243-F279 VanDerWaalsContact CD2-CE1 3.47Å; F243-F279 AromaticContact CD2-CE2 3.77Å; F243-F279 HydrophobicContact CD2-CE2 3.77Å; F243-F279 HydrophobicContact CD2-CG 4.42Å; F243-F279 AromaticContact CD2-CZ 3.33Å; F243-F279 HydrophobicContact CD2-CZ 3.33Å; F243-F279 AromaticContact CE2-CD1 3.94Å; F243-F279 HydrophobicContact CE2-CD1 3.94Å; F243-F279 AromaticContact CE2-CE1 3.25Å; F243-F279 HydrophobicContact CE2-CE1 3.25Å; F243-F279 HydrophobicContact CE2-CE2 4.39Å; F243-F279 AromaticContact CE2-CZ 3.53Å; F243-F279 HydrophobicContact CE2-CZ 3.53Å; F243-F279 HydrophobicContact CZ-CE1 4.29Å; F243-S284 WeakPolarHBondContact CE1-O 3.11Å; F243-A288 HydrophobicContact CD1-CB 3.61Å; F243-A288 HydrophobicContact CE1-CB 3.49Å; F243-A288 VanDerWaalsContact CE1-CB 3.49Å; F243-A288 HydrophobicContact CZ-CB 4.41Å; F243-V316 HydrophobicContact CZ-CG1 4.13Å |
| 244 | M | 89.5 | Confident | 92.1 | Very high | 35 Ų | 35 | 34.2 Ų | 34.2 | 17% | 0.172 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -71.4 | -5.4 | -177.3 | -58.8 | -72.4 | 178.9 | 0 | 0 | 112.5 | K241 M242 R276 F279 | K241-M244 HydrophobicContact CB-CB 4.1Å; K241-M244 HydrophobicContact CB-CG 4.38Å; K241-M244 WeakPolarHBondContact O-CA 3.45Å; K241-M244 WeakPolarHBondContact O-CB 3.23Å; K241-M244 PolarHBondContact O-N 2.7Å; M242-M244 VanDerWaalsContact C-N 3.32Å; M242-M244 PolarHBondContact O-N 3.23Å; M244-R276 WeakPolarHBondContact O-CD 3.28Å; M244-R276 PolarHBondContact O-NE 2.79Å; M244-R276 PolarHBondContact O-NH1 3.49Å; M244-F279 HydrophobicContact CE-CD2 4.34Å |
| 245 | Q | 93 | Very high | 92.1 | Very high | 14 Ų | 14 | 36.4 Ų | 36.4 | 7% | 0.065 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -84.6 | -22.1 | 173.1 | -54.5 | -57.6 | -9.3 | 0 | 0 | 112.7 | R137 E240 K241 M242 F243 R344 F345 | R137-Q245 PolarHBondContact NH1-O 3.34Å; R137-Q245 VanDerWaalsContact NH1-O 3.1Å; E240-Q245 PolarHBondContact O-NE2 3.08Å; K241-Q245 PolarHBondContact O-N 3.19Å; M242-Q245 WeakPolarHBondContact O-CB 3.42Å; M242-Q245 PolarHBondContact O-N 2.83Å; F243-Q245 PolarHBondContact O-N 3.4Å; F243-Q245 VanDerWaalsContact O-N 3.1Å; Q245-R344 WeakPolarHBondContact CG-O 3.49Å; Q245-R344 PolarHBondContact OE1-O 2.9Å; Q245-F345 HydrophobicContact CB-CD1 3.87Å; Q245-F345 HydrophobicContact CB-CE1 3.76Å; Q245-F345 HydrophobicContact CB-CZ 4.43Å; Q245-F345 HydrophobicContact CG-CD1 4.25Å |
| 246 | I | 95 | Very high | 92.1 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -87.6 | 122.5 | -176.3 | -52.6 | 169.2 | 0 | 0 | 0 | 109.1 | M140 F243 R276 V277 A288 V291 F345 | M140-I246 HydrophobicContact CB-CG2 4.2Å; M140-I246 HydrophobicContact CG-CG2 4.29Å; F243-I246 PolarHBondContact O-N 3.17Å; F243-I246 VanDerWaalsContact O-N 3.09Å; I246-R276 CarbonylContact O-C 3.51Å; I246-R276 WeakPolarHBondContact O-CA 3.43Å; I246-R276 WeakPolarHBondContact O-CB 3.28Å; I246-V277 HydrophobicContact CB-CB 4.28Å; I246-V277 HydrophobicContact CB-CG2 3.91Å; I246-V277 HydrophobicContact CG2-CG2 3.74Å; I246-V277 PolarHBondContact O-N 2.88Å; I246-A288 HydrophobicContact CD1-CB 3.97Å; I246-V291 HydrophobicContact CD1-CB 3.95Å; I246-V291 HydrophobicContact CD1-CG1 4.15Å; I246-V291 HydrophobicContact CD1-CG2 4.03Å; I246-V291 HydrophobicContact CG1-CB 4.38Å; I246-V291 HydrophobicContact CG1-CG1 4.05Å; I246-V291 HydrophobicContact CG1-CG2 4.45Å; I246-V291 HydrophobicContact CG2-CG2 4.04Å; I246-F345 HydrophobicContact CD1-CE1 4.46Å; I246-F345 HydrophobicContact CG1-CE1 3.97Å; I246-F345 HydrophobicContact CG1-CZ 3.9Å |
| 247 | L | 97 | Very high | 92.2 | Very high | 32 Ų | 32 | 40.2 Ų | 40.2 | 17% | 0.168 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 141.1 | 173.7 | -69 | 174.1 | 0 | 0 | 0 | 110.2 | R137 C138 T139 M140 R276 | R137-L247 HydrophobicContact CB-CD1 3.89Å; R137-L247 HydrophobicContact CB-CG 4.14Å; C138-L247 PolarHBondContact O-N 3.48Å; T139-L247 WeakPolarHBondContact CA-O 3.39Å; T139-L247 HydrophobicContact CG2-CB 4.17Å; T139-L247 WeakPolarHBondContact OG1-CB 3.29Å; M140-L247 PolarHBondContact N-O 3.44Å; L247-R276 HydrophobicContact CD2-CG 4.16Å |
| 248 | L | 95.7 | Very high | 92.1 | Very high | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 132.5 | 170.7 | -172.9 | 64.6 | 0 | 0 | 0 | 109.7 | L142 D252 R253 V256 T275 | L142-L248 HydrophobicContact CD1-CD1 4.46Å; L142-L248 HydrophobicContact CD2-CD1 3.83Å; L142-L248 HydrophobicContact CG-CD1 3.65Å; L248-D252 HydrophobicContact CD1-CB 3.91Å; L248-D252 HydrophobicContact CD2-CB 4.16Å; L248-D252 HydrophobicContact CG-CB 4.01Å; L248-R253 HydrophobicContact CB-CG 4.35Å; L248-R253 HydrophobicContact CD2-CG 4.24Å; L248-R253 HydrophobicContact CG-CG 4.32Å; L248-R253 PolarHBondContact O-NE 3.5Å; L248-R253 PolarHBondContact O-NH2 3.35Å; L248-R253 VanDerWaalsContact O-NH2 3.09Å; L248-V256 HydrophobicContact CD2-CG2 3.62Å; L248-T275 PolarHBondContact N-O 2.56Å |
| 249 | H | 95.5 | Very high | 92.2 | Very high | 49 Ų | 49 | 43 Ų | 43 | 23% | 0.227 | 20% | 0.195 | C | C | . | . | P | Polyproline II helix | trans | -56.8 | 141.2 | 175.6 | -170.5 | -77.7 | 0 | 0 | 0 | 110.6 | T139 M140 R141 E251 D252 R253 | T139-H249 HydrophobicContact CG2-CB 4.29Å; M140-H249 WeakPolarHBondContact O-CB 3.41Å; M140-H249 PolarHBondContact O-N 3.1Å; R141-H249 HydrophobicContact CG-CB 3.57Å; R141-H249 PolarHBondContact NH2-CE1 2.88Å; R141-H249 PolarHBondContact NH2-NE2 3.34Å; R141-H249 VanDerWaalsContact NH2-NE2 3.17Å; H249-E251 VanDerWaalsContact C-N 3.31Å; H249-E251 IonicContact CE1-OE1 3.76Å; H249-E251 PolarHBondContact ND1-N 3.28Å; H249-E251 PolarHBondContact O-N 3.48Å; H249-D252 PolarHBondContact O-N 3.26Å; H249-R253 PolarHBondContact O-N 2.91Å |
| 250 | E | 95.5 | Very high | 92 | Very high | 136 Ų | 136 | 48.3 Ų | 48.3 | 64% | 0.636 | 22% | 0.215 | S | C | * | . | G | 310 helix | trans | -57.9 | -41.2 | -168 | -49.8 | -144.9 | 127.7 | 0 | 0 | 113.5 | D252 R253 | E250-D252 PolarHBondContact O-N 2.95Å; E250-R253 WeakPolarHBondContact O-CB 3.5Å; E250-R253 PolarHBondContact O-N 2.91Å; E250-R253 IonicContact OE1-CZ 2.75Å; E250-R253 IonicContact OE1-NH1 3.86Å; E250-R253 PolarHBondContact OE1-NH1 3.21Å; E250-R253 IonicContact OE1-NH2 2.65Å |
| 251 | E | 92.9 | Very high | 91.7 | Very high | 110 Ų | 110 | 47.6 Ų | 47.6 | 51% | 0.514 | 21% | 0.211 | S | C | . | . | G | 310 helix | trans | -57.5 | -28.3 | 175.9 | -70 | 175 | -147.3 | 0 | 0 | 114.3 | R141 H249 | R141-E251 IonicContact CZ-OE1 3.14Å; R141-E251 IonicContact CZ-OE2 3.24Å; R141-E251 VanDerWaalsContact CZ-OE2 3.28Å; R141-E251 IonicContact NH1-OE1 3.09Å; R141-E251 IonicContact NH1-OE2 3.28Å; R141-E251 PolarHBondContact NH1-OE2 2.92Å; R141-E251 IonicContact NH2-OE1 3.21Å; R141-E251 PolarHBondContact NH2-OE1 2.97Å; R141-E251 IonicContact NH2-OE2 3.85Å; R141-E251 PolarHBondContact NH2-OE2 3.37Å; H249-E251 VanDerWaalsContact C-N 3.31Å; H249-E251 IonicContact CE1-OE1 3.76Å; H249-E251 PolarHBondContact ND1-N 3.28Å; H249-E251 PolarHBondContact O-N 3.48Å |
| 252 | D | 94.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -94.8 | -12.1 | -177.4 | -66.5 | -27.8 | 0 | 0 | 0 | 112.3 | R141 L142 W144 K148 L248 H249 E250 D254 F255 | R141-D252 WeakPolarHBondContact CA-OD2 3.35Å; R141-D252 WeakPolarHBondContact CB-OD2 3.47Å; L142-D252 HydrophobicContact CD1-CB 4.24Å; L142-D252 HydrophobicContact CG-CB 4.17Å; L142-D252 PolarHBondContact N-OD2 3.11Å; W144-D252 HydrophobicContact CZ2-CB 4.5Å; W144-D252 PolarHBondContact NE1-OD1 3.28Å; K148-D252 IonicContact NZ-OD1 3.98Å; K148-D252 PolarHBondContact NZ-OD1 2.91Å; L248-D252 HydrophobicContact CD1-CB 3.91Å; L248-D252 HydrophobicContact CD2-CB 4.16Å; L248-D252 HydrophobicContact CG-CB 4.01Å; H249-D252 PolarHBondContact O-N 3.26Å; E250-D252 PolarHBondContact O-N 2.95Å; D252-D254 PolarHBondContact O-N 2.94Å; D252-D254 VanDerWaalsContact O-N 3.15Å; D252-F255 PolarHBondContact O-N 2.88Å |
| 253 | R | 95.2 | Very high | 90.2 | Very high | 50 Ų | 50 | 54.1 Ų | 54.1 | 19% | 0.189 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -63.6 | -22.1 | -179.3 | -62.8 | -177.2 | -172 | 154.2 | 5.9 | 113 | L248 H249 E250 F255 V256 R273 F274 | L248-R253 HydrophobicContact CB-CG 4.35Å; L248-R253 HydrophobicContact CD2-CG 4.24Å; L248-R253 HydrophobicContact CG-CG 4.32Å; L248-R253 PolarHBondContact O-NE 3.5Å; L248-R253 PolarHBondContact O-NH2 3.35Å; L248-R253 VanDerWaalsContact O-NH2 3.09Å; H249-R253 PolarHBondContact O-N 2.91Å; E250-R253 WeakPolarHBondContact O-CB 3.5Å; E250-R253 PolarHBondContact O-N 2.91Å; E250-R253 IonicContact OE1-CZ 2.75Å; E250-R253 IonicContact OE1-NH1 3.86Å; E250-R253 PolarHBondContact OE1-NH1 3.21Å; E250-R253 IonicContact OE1-NH2 2.65Å; R253-F255 VanDerWaalsContact C-N 3.27Å; R253-F255 PolarHBondContact O-N 3.24Å; R253-V256 VanDerWaalsContact O-CG2 3.27Å; R253-V256 WeakPolarHBondContact O-CG2 3.18Å; R253-V256 PolarHBondContact O-N 2.92Å; R253-R273 HydrophobicContact CB-CB 4.28Å; R253-R273 WeakPolarHBondContact O-CB 3.06Å; R253-R273 WeakPolarHBondContact O-CG 3.24Å; R253-F274 WeakPolarHBondContact CG-O 3.39Å |
| 254 | D | 93.1 | Very high | 89.6 | Confident | 63 Ų | 63 | 56.8 Ų | 56.8 | 34% | 0.337 | 26% | 0.256 | S | S | . | . | G | 310 helix | trans | -72.3 | -22.1 | -178.7 | -146.7 | 52.7 | 0 | 0 | 0 | 113.7 | D252 V256 R257 R273 | D252-D254 PolarHBondContact O-N 2.94Å; D252-D254 VanDerWaalsContact O-N 3.15Å; D254-V256 VanDerWaalsContact C-N 3.32Å; D254-R257 VanDerWaalsContact CG-CZ 3.45Å; D254-R257 VanDerWaalsContact CG-NE 3.29Å; D254-R257 WeakPolarHBondContact O-CD 3.13Å; D254-R257 WeakPolarHBondContact O-CG 3.49Å; D254-R257 IonicContact OD1-CZ 3.38Å; D254-R257 IonicContact OD1-NE 3.66Å; D254-R257 PolarHBondContact OD1-NE 3.16Å; D254-R257 IonicContact OD1-NH2 2.87Å; D254-R257 PolarHBondContact OD1-NH2 3.24Å; D254-R257 IonicContact OD2-CZ 3.7Å; D254-R257 IonicContact OD2-NE 3.61Å; D254-R257 PolarHBondContact OD2-NE 3.47Å; D254-R257 IonicContact OD2-NH2 3.95Å; D254-R257 PolarHBondContact OD2-NH2 2.87Å; D254-R273 IonicContact OD1-CZ 3.36Å; D254-R273 IonicContact OD1-NE 3.03Å; D254-R273 PolarHBondContact OD1-NE 2.98Å; D254-R273 VanDerWaalsContact OD1-NE 3.09Å; D254-R273 IonicContact OD1-NH1 3.16Å; D254-R273 IonicContact OD1-NH2 2.63Å; D254-R273 PolarHBondContact OD1-NH2 3.2Å |
| 255 | F | 92.8 | Very high | 88.8 | Confident | 45 Ų | 45 | 60.6 Ų | 60.6 | 20% | 0.197 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -80.5 | -15.5 | 178.3 | -64 | -88.1 | 0 | 0 | 0 | 113.1 | W144 K148 L150 L207 D252 R253 | W144-F255 HydrophobicContact CH2-CB 3.81Å; W144-F255 AromaticContact CH2-CD1 3.47Å; W144-F255 HydrophobicContact CH2-CD1 3.47Å; W144-F255 VanDerWaalsContact CH2-CD1 3.47Å; W144-F255 AromaticContact CH2-CD2 3.77Å; W144-F255 HydrophobicContact CH2-CD2 3.77Å; W144-F255 AromaticContact CH2-CE1 3.97Å; W144-F255 HydrophobicContact CH2-CE1 3.97Å; W144-F255 HydrophobicContact CH2-CE2 4.23Å; W144-F255 AromaticContact CH2-CG 3.38Å; W144-F255 HydrophobicContact CH2-CG 3.38Å; W144-F255 HydrophobicContact CH2-CZ 4.33Å; W144-F255 HydrophobicContact CZ2-CB 4.23Å; W144-F255 HydrophobicContact CZ2-CD1 4.12Å; W144-F255 AromaticContact CZ2-CD2 3.55Å; W144-F255 HydrophobicContact CZ2-CD2 3.55Å; W144-F255 HydrophobicContact CZ2-CE1 4.43Å; W144-F255 AromaticContact CZ2-CE2 3.9Å; W144-F255 HydrophobicContact CZ2-CE2 3.9Å; W144-F255 AromaticContact CZ2-CG 3.69Å; W144-F255 HydrophobicContact CZ2-CG 3.69Å; W144-F255 HydrophobicContact CZ2-CZ 4.34Å; W144-F255 HydrophobicContact CZ3-CD1 4.26Å; K148-F255 HydrophobicContact CB-CE1 4.07Å; K148-F255 HydrophobicContact CB-CZ 3.7Å; K148-F255 HydrophobicContact CD-CZ 4.37Å; K148-F255 VanDerWaalsContact O-CE1 3.29Å; K148-F255 WeakPolarHBondContact O-CE1 3.49Å; K148-F255 WeakPolarHBondContact O-CZ 3.39Å; L150-F255 HydrophobicContact CD1-CD1 4.08Å; L207-F255 HydrophobicContact CD1-CB 4.11Å; L207-F255 HydrophobicContact CD1-CD1 4.45Å; D252-F255 PolarHBondContact O-N 2.88Å; R253-F255 VanDerWaalsContact C-N 3.27Å; R253-F255 PolarHBondContact O-N 3.24Å |
| 256 | V | 93.3 | Very high | 88.1 | Confident | 1 Ų | 1 | 67.5 Ų | 67.5 | 1% | 0.006 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -114 | 43.2 | -176.5 | -68.7 | 0 | 0 | 0 | 0 | 111.1 | F196 L207 L248 R253 D254 F274 L281 | F196-V256 HydrophobicContact CE2-CB 4.3Å; F196-V256 HydrophobicContact CZ-CB 4.4Å; L207-V256 HydrophobicContact CD2-CG1 4.31Å; L248-V256 HydrophobicContact CD2-CG2 3.62Å; R253-V256 VanDerWaalsContact O-CG2 3.27Å; R253-V256 WeakPolarHBondContact O-CG2 3.18Å; R253-V256 PolarHBondContact O-N 2.92Å; D254-V256 VanDerWaalsContact C-N 3.32Å; V256-F274 HydrophobicContact CB-CB 4Å; V256-F274 HydrophobicContact CB-CD2 4.32Å; V256-F274 HydrophobicContact CG2-CB 3.69Å; V256-F274 PolarHBondContact O-N 3.35Å; V256-L281 HydrophobicContact CG1-CD1 4.02Å; V256-L281 HydrophobicContact CG1-CD2 4.39Å |
| 257 | R | 93.6 | Very high | 87.3 | Confident | 105 Ų | 105 | 71.5 Ų | 71.5 | 40% | 0.396 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 144.6 | 175 | -74.7 | 168.4 | 179.6 | -172.6 | 1.7 | 111.6 | F196 D254 V271 W272 R273 | F196-R257 WeakPolarHBondContact CE2-O 3.35Å; D254-R257 VanDerWaalsContact CG-CZ 3.45Å; D254-R257 VanDerWaalsContact CG-NE 3.29Å; D254-R257 WeakPolarHBondContact O-CD 3.13Å; D254-R257 WeakPolarHBondContact O-CG 3.49Å; D254-R257 IonicContact OD1-CZ 3.38Å; D254-R257 IonicContact OD1-NE 3.66Å; D254-R257 PolarHBondContact OD1-NE 3.16Å; D254-R257 IonicContact OD1-NH2 2.87Å; D254-R257 PolarHBondContact OD1-NH2 3.24Å; D254-R257 IonicContact OD2-CZ 3.7Å; D254-R257 IonicContact OD2-NE 3.61Å; D254-R257 PolarHBondContact OD2-NE 3.47Å; D254-R257 IonicContact OD2-NH2 3.95Å; D254-R257 PolarHBondContact OD2-NH2 2.87Å; R257-V271 HydrophobicContact CB-CG1 4.17Å; R257-V271 HydrophobicContact CG-CG1 4.14Å; R257-W272 CarbonylContact C-O 3.57Å; R257-W272 WeakPolarHBondContact CA-O 2.82Å; R257-R273 HydrophobicContact CG-CG 3.78Å |
| 258 | F | 91.9 | Very high | 86.6 | Confident | 64 Ų | 64 | 76 Ų | 76 | 28% | 0.281 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 158.2 | 173.6 | 64.4 | -85 | 0 | 0 | 0 | 111.3 | W260 W272 F274 | F258-W260 HydrophobicContact CD2-CB 4.42Å; F258-W260 HydrophobicContact CE2-CB 4.18Å; F258-W272 HydrophobicContact CD1-CB 4.1Å; F258-W272 HydrophobicContact CD2-CB 4.14Å; F258-W272 HydrophobicContact CE1-CB 3.58Å; F258-W272 HydrophobicContact CE2-CB 3.62Å; F258-W272 HydrophobicContact CE2-CG 4.19Å; F258-W272 HydrophobicContact CG-CB 4.36Å; F258-W272 HydrophobicContact CZ-CB 3.32Å; F258-W272 HydrophobicContact CZ-CG 4.12Å; F258-W272 PolarHBondContact N-O 3.03Å; F258-W272 PolarHBondContact O-N 3.28Å; F258-F274 AromaticContact CD1-CD2 3.6Å; F258-F274 HydrophobicContact CD1-CD2 3.6Å; F258-F274 AromaticContact CD1-CE2 3.48Å; F258-F274 HydrophobicContact CD1-CE2 3.48Å; F258-F274 VanDerWaalsContact CD1-CE2 3.48Å; F258-F274 HydrophobicContact CD1-CZ 4.35Å; F258-F274 AromaticContact CE1-CD2 3.81Å; F258-F274 HydrophobicContact CE1-CD2 3.81Å; F258-F274 AromaticContact CE1-CE2 3.78Å; F258-F274 HydrophobicContact CE1-CE2 3.78Å; F258-F274 HydrophobicContact CE1-CG 4.32Å; F258-F274 HydrophobicContact CE1-CZ 4.3Å; F258-F274 HydrophobicContact CG-CE2 4.18Å |
| 259 | L | 89.6 | Confident | 86 | Confident | 29 Ų | 29 | 77.2 Ų | 77.2 | 15% | 0.152 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 137 | 176.1 | -64.7 | 176.8 | 0 | 0 | 0 | 110.2 | A157 Y158 L161 S270 V271 | A157-L259 HydrophobicContact CB-CD1 3.98Å; Y158-L259 HydrophobicContact CD2-CD1 4.25Å; L161-L259 HydrophobicContact CD2-CB 4.14Å; L161-L259 HydrophobicContact CD2-CD1 4.43Å; L259-S270 WeakPolarHBondContact CA-O 3.36Å; L259-V271 HydrophobicContact CD2-CG2 3.85Å |
| 260 | W | 86 | Confident | 85.7 | Confident | 112 Ų | 112 | 77.3 Ų | 77.3 | 42% | 0.424 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 130.2 | 177 | -174.4 | -103.6 | 0 | 0 | 0 | 111.5 | F258 S270 W272 | F258-W260 HydrophobicContact CD2-CB 4.42Å; F258-W260 HydrophobicContact CE2-CB 4.18Å; W260-S270 PolarHBondContact N-O 3.49Å; W260-S270 PolarHBondContact O-N 2.94Å; W260-S270 PolarHBondContact O-OG 3.19Å; W260-W272 HydrophobicContact CB-CG 4.37Å |
| 261 | R | 80.8 | Confident | 85.5 | Confident | 19 Ų | 19 | 74.7 Ų | 74.7 | 7% | 0.072 | 36% | 0.363 | C | S | . | . | trans | -147.8 | 132.4 | 164.6 | 53.8 | -174.8 | -176.3 | 174.5 | 3.4 | 105.9 | L161 E165 F263 D264 R265 I267 | L161-R261 HydrophobicContact CD2-CG 4.4Å; E165-R261 IonicContact OE1-CZ 3.31Å; E165-R261 IonicContact OE1-NE 2.99Å; E165-R261 PolarHBondContact OE1-NE 3.38Å; E165-R261 IonicContact OE1-NH2 2.81Å; E165-R261 PolarHBondContact OE1-NH2 3.38Å; E165-R261 IonicContact OE2-CZ 3.45Å; E165-R261 IonicContact OE2-NE 3.16Å; E165-R261 IonicContact OE2-NH2 3.11Å; E165-R261 PolarHBondContact OE2-NH2 3.49Å; R261-F263 PolarHBondContact O-N 3.02Å; R261-D264 WeakPolarHBondContact CD-O 3.29Å; R261-R265 PolarHBondContact NH1-O 2.84Å; R261-I267 WeakPolarHBondContact CD-O 3.47Å; R261-I267 PolarHBondContact NH1-O 3.15Å | ||
| 262 | E | 72.5 | Confident | 85.5 | Confident | 154 Ų | 154 | 76 Ų | 76 | 72% | 0.72 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -67.3 | 60.2 | -168.7 | -65.3 | 175.1 | -174.2 | 0 | 0 | 113.1 | D264 | E262-D264 PolarHBondContact O-N 2.96Š|
| 263 | F | 68.3 | Low | 85.5 | Confident | 111 Ų | 111 | 82.3 Ų | 82.3 | 49% | 0.487 | 39% | 0.387 | S | S | . | . | S | Bend | trans | 53.7 | -0.8 | -170.6 | -60.9 | -80.7 | 0 | 0 | 0 | 116.2 | M168 R261 R265 | M168-F263 HydrophobicContact SD-CE1 4.46Å; R261-F263 PolarHBondContact O-N 3.02Å; F263-R265 PolarHBondContact O-N 3.48Å |
| 264 | D | 74.9 | Confident | 85.5 | Confident | 63 Ų | 63 | 81.2 Ų | 81.2 | 34% | 0.337 | 38% | 0.384 | S | S | . | . | trans | -80.9 | 106.7 | 173.7 | -169.1 | -19 | 0 | 0 | 0 | 110.2 | R261 E262 D266 I267 | R261-D264 WeakPolarHBondContact CD-O 3.29Å; E262-D264 PolarHBondContact O-N 2.96Å; D264-D266 PolarHBondContact O-N 2.72Å; D264-D266 WeakPolarHBondContact OD1-CB 3.43Å; D264-D266 PolarHBondContact OD1-N 3.02Å; D264-I267 HydrophobicContact CB-CB 4.4Å; D264-I267 HydrophobicContact CB-CD1 3.81Å; D264-I267 HydrophobicContact CB-CG1 3.99Å; D264-I267 PolarHBondContact O-N 3.08Å; D264-I267 WeakPolarHBondContact OD2-CD1 3.33Å; D264-I267 WeakPolarHBondContact OD2-CG1 3.07Å | ||
| 265 | R | 74.6 | Confident | 85.6 | Confident | 115 Ų | 115 | 81.4 Ų | 81.4 | 43% | 0.434 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -20.1 | 179.5 | -65.3 | -168.4 | -174.3 | -161.1 | 4.7 | 113 | E165 D166 R261 F263 I267 | E165-R265 PolarHBondContact O-NH2 2.94Å; E165-R265 IonicContact OE2-NE 2.7Å; D166-R265 IonicContact OD1-CZ 3.66Å; D166-R265 IonicContact OD1-NH1 2.91Å; D166-R265 PolarHBondContact OD1-NH1 3.38Å; D166-R265 IonicContact OD1-NH2 3.59Å; D166-R265 PolarHBondContact OD1-NH2 3.36Å; R261-R265 PolarHBondContact NH1-O 2.84Å; F263-R265 PolarHBondContact O-N 3.48Å; R265-I267 VanDerWaalsContact C-N 3.28Å |
| 266 | D | 78.1 | Confident | 85.7 | Confident | 158 Ų | 158 | 83.1 Ų | 83.1 | 85% | 0.845 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -17.3 | -179.4 | -61.4 | -30.4 | 0 | 0 | 0 | 111.3 | D264 | D264-D266 PolarHBondContact O-N 2.72Å; D264-D266 WeakPolarHBondContact OD1-CB 3.43Å; D264-D266 PolarHBondContact OD1-N 3.02Å |
| 267 | I | 78 | Confident | 85.7 | Confident | 85 Ų | 85 | 83.1 Ų | 83.1 | 44% | 0.436 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -86.1 | 135 | 173.7 | -59.2 | 176.5 | 0 | 0 | 0 | 110.4 | R261 D264 R265 S269 | R261-I267 WeakPolarHBondContact CD-O 3.47Å; R261-I267 PolarHBondContact NH1-O 3.15Å; D264-I267 HydrophobicContact CB-CB 4.4Å; D264-I267 HydrophobicContact CB-CD1 3.81Å; D264-I267 HydrophobicContact CB-CG1 3.99Å; D264-I267 PolarHBondContact O-N 3.08Å; D264-I267 WeakPolarHBondContact OD2-CD1 3.33Å; D264-I267 WeakPolarHBondContact OD2-CG1 3.07Å; R265-I267 VanDerWaalsContact C-N 3.28Å; I267-S269 PolarHBondContact O-N 3.3Å |
| 268 | T | 81.5 | Confident | 85.4 | Confident | 126 Ų | 126 | 78.1 Ų | 78.1 | 77% | 0.773 | 37% | 0.374 | S | S | * | . | P | Polyproline II helix | trans | -62.5 | 125.3 | 170.3 | 51.6 | 0 | 0 | 0 | 0 | 110.3 | S270 | T268-S270 PolarHBondContact O-N 3.33Š|
| 269 | S | 83.3 | Confident | 85.1 | Confident | 27 Ų | 27 | 77.3 Ų | 77.3 | 19% | 0.189 | 37% | 0.37 | C | S | . | . | P | Polyproline II helix | trans | -58.8 | 130.2 | 178.5 | 60.8 | 0 | 0 | 0 | 0 | 111.9 | I267 | I267-S269 PolarHBondContact O-N 3.3Š|
| 270 | S | 88.9 | Confident | 85 | Confident | 51 Ų | 51 | 77.5 Ų | 77.5 | 36% | 0.357 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 149.3 | 172.8 | 58.2 | 0 | 0 | 0 | 0 | 111.1 | L259 W260 T268 W272 | L259-S270 WeakPolarHBondContact CA-O 3.36Å; W260-S270 PolarHBondContact N-O 3.49Å; W260-S270 PolarHBondContact O-N 2.94Å; W260-S270 PolarHBondContact O-OG 3.19Å; T268-S270 PolarHBondContact O-N 3.33Å; S270-W272 VanDerWaalsContact OG-CD1 3.3Å; S270-W272 PolarHBondContact OG-NE1 3.33Å |
| 271 | V | 91.7 | Very high | 85.2 | Confident | 80 Ų | 80 | 72.5 Ų | 72.5 | 49% | 0.485 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 118.8 | 177.9 | -177.4 | 0 | 0 | 0 | 0 | 109.1 | R257 L259 | R257-V271 HydrophobicContact CB-CG1 4.17Å; R257-V271 HydrophobicContact CG-CG1 4.14Å; L259-V271 HydrophobicContact CD2-CG2 3.85Å |
| 272 | W | 93.4 | Very high | 85.6 | Confident | 138 Ų | 138 | 74.3 Ų | 74.3 | 52% | 0.523 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 166.7 | 179 | -69.6 | 65.2 | 0 | 0 | 0 | 110.5 | R257 F258 W260 S270 | R257-W272 CarbonylContact C-O 3.57Å; R257-W272 WeakPolarHBondContact CA-O 2.82Å; F258-W272 HydrophobicContact CD1-CB 4.1Å; F258-W272 HydrophobicContact CD2-CB 4.14Å; F258-W272 HydrophobicContact CE1-CB 3.58Å; F258-W272 HydrophobicContact CE2-CB 3.62Å; F258-W272 HydrophobicContact CE2-CG 4.19Å; F258-W272 HydrophobicContact CG-CB 4.36Å; F258-W272 HydrophobicContact CZ-CB 3.32Å; F258-W272 HydrophobicContact CZ-CG 4.12Å; F258-W272 PolarHBondContact N-O 3.03Å; F258-W272 PolarHBondContact O-N 3.28Å; W260-W272 HydrophobicContact CB-CG 4.37Å; S270-W272 VanDerWaalsContact OG-CD1 3.3Å; S270-W272 PolarHBondContact OG-NE1 3.33Å |
| 273 | R | 94.1 | Very high | 86.3 | Confident | 132 Ų | 132 | 67 Ų | 67 | 50% | 0.498 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 136.1 | 178 | -63.6 | 174.4 | -167.4 | 165.2 | 0.4 | 109.3 | R253 D254 R257 T275 | R253-R273 HydrophobicContact CB-CB 4.28Å; R253-R273 WeakPolarHBondContact O-CB 3.06Å; R253-R273 WeakPolarHBondContact O-CG 3.24Å; D254-R273 IonicContact OD1-CZ 3.36Å; D254-R273 IonicContact OD1-NE 3.03Å; D254-R273 PolarHBondContact OD1-NE 2.98Å; D254-R273 VanDerWaalsContact OD1-NE 3.09Å; D254-R273 IonicContact OD1-NH1 3.16Å; D254-R273 IonicContact OD1-NH2 2.63Å; D254-R273 PolarHBondContact OD1-NH2 3.2Å; R257-R273 HydrophobicContact CG-CG 3.78Å; R273-T275 PolarHBondContact O-N 2.98Å |
| 274 | F | 94.5 | Very high | 87.3 | Confident | 28 Ų | 28 | 61.9 Ų | 61.9 | 12% | 0.123 | 32% | 0.318 | C | S | . | . | trans | -63.8 | 130.9 | 167.3 | -80.7 | -87.2 | 0 | 0 | 0 | 109.9 | I194 F196 R253 V256 F258 | I194-F274 HydrophobicContact CG2-CE1 4.43Å; I194-F274 HydrophobicContact CG2-CZ 3.84Å; F196-F274 AromaticContact CD2-CD2 3.9Å; F196-F274 HydrophobicContact CD2-CD2 3.9Å; F196-F274 AromaticContact CD2-CE2 3.7Å; F196-F274 HydrophobicContact CD2-CE2 3.7Å; F196-F274 HydrophobicContact CE2-CD2 4.4Å; F196-F274 HydrophobicContact CE2-CE2 4.44Å; R253-F274 WeakPolarHBondContact CG-O 3.39Å; V256-F274 HydrophobicContact CB-CB 4Å; V256-F274 HydrophobicContact CB-CD2 4.32Å; V256-F274 HydrophobicContact CG2-CB 3.69Å; V256-F274 PolarHBondContact O-N 3.35Å; F258-F274 AromaticContact CD1-CD2 3.6Å; F258-F274 HydrophobicContact CD1-CD2 3.6Å; F258-F274 AromaticContact CD1-CE2 3.48Å; F258-F274 HydrophobicContact CD1-CE2 3.48Å; F258-F274 VanDerWaalsContact CD1-CE2 3.48Å; F258-F274 HydrophobicContact CD1-CZ 4.35Å; F258-F274 AromaticContact CE1-CD2 3.81Å; F258-F274 HydrophobicContact CE1-CD2 3.81Å; F258-F274 AromaticContact CE1-CE2 3.78Å; F258-F274 HydrophobicContact CE1-CE2 3.78Å; F258-F274 HydrophobicContact CE1-CG 4.32Å; F258-F274 HydrophobicContact CE1-CZ 4.3Å; F258-F274 HydrophobicContact CG-CE2 4.18Å | ||
| 275 | T | 95.6 | Very high | 87.7 | Confident | 66 Ų | 66 | 61.3 Ų | 61.3 | 41% | 0.405 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -96.2 | -3.3 | 173.6 | 58.1 | 0 | 0 | 0 | 0 | 112.3 | L248 R273 | L248-T275 PolarHBondContact N-O 2.56Å; R273-T275 PolarHBondContact O-N 2.98Å |
| 276 | R | 94.6 | Very high | 88.2 | Confident | 82 Ų | 82 | 56.3 Ų | 56.3 | 31% | 0.309 | 30% | 0.299 | S | S | . | . | B | Isolated β-bridge | trans | -134.8 | 157.1 | -173.8 | -70.2 | 155.9 | 176.3 | -140 | 15.1 | 110.3 | M244 I246 L247 S278 | M244-R276 WeakPolarHBondContact O-CD 3.28Å; M244-R276 PolarHBondContact O-NE 2.79Å; M244-R276 PolarHBondContact O-NH1 3.49Å; I246-R276 CarbonylContact O-C 3.51Å; I246-R276 WeakPolarHBondContact O-CA 3.43Å; I246-R276 WeakPolarHBondContact O-CB 3.28Å; L247-R276 HydrophobicContact CD2-CG 4.16Å; R276-S278 PolarHBondContact O-N 3.29Å |
| 277 | V | 92.9 | Very high | 88.8 | Confident | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.006 | 26% | 0.259 | C | S | . | . | trans | -62.7 | 127.7 | 173.7 | 179.3 | 0 | 0 | 0 | 0 | 109.1 | F243 I246 S284 L287 | F243-V277 CarbonylContact C-O 3.55Å; F243-V277 HydrophobicContact CB-CG1 4.28Å; F243-V277 WeakPolarHBondContact CB-O 3.44Å; F243-V277 HydrophobicContact CD1-CG1 4.25Å; F243-V277 VanDerWaalsContact O-O 3.13Å; I246-V277 HydrophobicContact CB-CB 4.28Å; I246-V277 HydrophobicContact CB-CG2 3.91Å; I246-V277 HydrophobicContact CG2-CG2 3.74Å; I246-V277 PolarHBondContact O-N 2.88Å; V277-S284 WeakPolarHBondContact CG1-OG 3.45Å; V277-L287 HydrophobicContact CG2-CD1 4.35Å | ||
| 278 | S | 87.3 | Confident | 89.2 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 24% | 0.239 | C | C | . | . | trans | -109.2 | 162.6 | -176.4 | 60 | 0 | 0 | 0 | 0 | 111.9 | R276 S284 | R276-S278 PolarHBondContact O-N 3.29Å; S278-S284 WeakPolarHBondContact O-CB 3.18Å; S278-S284 PolarHBondContact O-OG 2.95Å | ||
| 279 | F | 86.1 | Confident | 89.3 | Confident | 46 Ų | 46 | 39.2 Ų | 39.2 | 20% | 0.202 | 20% | 0.204 | C | C | . | . | B | Isolated β-bridge | trans | -68.3 | 152.3 | 167.6 | -72.9 | -87.1 | 0 | 0 | 0 | 110.5 | V195 F196 F243 M244 | V195-F279 HydrophobicContact CB-CB 4.32Å; V195-F279 HydrophobicContact CG1-CB 4.14Å; V195-F279 HydrophobicContact CG2-CB 3.98Å; F196-F279 WeakPolarHBondContact CB-O 3.27Å; F196-F279 PolarHBondContact N-O 2.74Å; F243-F279 HydrophobicContact CD2-CD1 4.03Å; F243-F279 HydrophobicContact CD2-CD2 4.3Å; F243-F279 AromaticContact CD2-CE1 3.47Å; F243-F279 HydrophobicContact CD2-CE1 3.47Å; F243-F279 VanDerWaalsContact CD2-CE1 3.47Å; F243-F279 AromaticContact CD2-CE2 3.77Å; F243-F279 HydrophobicContact CD2-CE2 3.77Å; F243-F279 HydrophobicContact CD2-CG 4.42Å; F243-F279 AromaticContact CD2-CZ 3.33Å; F243-F279 HydrophobicContact CD2-CZ 3.33Å; F243-F279 AromaticContact CE2-CD1 3.94Å; F243-F279 HydrophobicContact CE2-CD1 3.94Å; F243-F279 AromaticContact CE2-CE1 3.25Å; F243-F279 HydrophobicContact CE2-CE1 3.25Å; F243-F279 HydrophobicContact CE2-CE2 4.39Å; F243-F279 AromaticContact CE2-CZ 3.53Å; F243-F279 HydrophobicContact CE2-CZ 3.53Å; F243-F279 HydrophobicContact CZ-CE1 4.29Å; M244-F279 HydrophobicContact CE-CD2 4.34Å |
| 280 | G | 87.5 | Confident | 89.5 | Confident | 33 Ų | 33 | 38 Ų | 38 | 34% | 0.34 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 92.8 | -4.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | F196 N208 | F196-G280 CarbonylContact O-C 3.59Å; F196-G280 VanDerWaalsContact O-CA 3.29Å; F196-G280 WeakPolarHBondContact O-CA 3.5Å; N208-G280 PolarHBondContact ND2-O 3.46Å; N208-G280 PolarHBondContact OD1-O 2.94Å |
| 281 | L | 90.8 | Very high | 89.6 | Confident | 7 Ų | 7 | 35.5 Ų | 35.5 | 4% | 0.037 | 18% | 0.178 | C | C | . | . | trans | -87.3 | 134.4 | 165.6 | -50.2 | 177.4 | 0 | 0 | 0 | 110.2 | L142 F196 L207 N208 M211 V256 G283 S284 | L142-L281 HydrophobicContact CD2-CD1 3.86Å; F196-L281 HydrophobicContact CD1-CD2 3.56Å; F196-L281 HydrophobicContact CE1-CD2 4.13Å; F196-L281 HydrophobicContact CG-CD2 4.39Å; L207-L281 HydrophobicContact CD2-CD2 3.55Å; L207-L281 HydrophobicContact CG-CD2 4.38Å; N208-L281 WeakPolarHBondContact OD1-CA 3.26Å; M211-L281 HydrophobicContact CE-CB 3.67Å; M211-L281 HydrophobicContact CE-CD2 3.84Å; M211-L281 HydrophobicContact CE-CG 4.29Å; M211-L281 HydrophobicContact SD-CB 4.1Å; M211-L281 HydrophobicContact SD-CD2 4.44Å; V256-L281 HydrophobicContact CG1-CD1 4.02Å; V256-L281 HydrophobicContact CG1-CD2 4.39Å; L281-G283 VanDerWaalsContact C-N 3.29Å; L281-G283 PolarHBondContact O-N 2.87Å; L281-S284 WeakPolarHBondContact CB-OG 3.44Å; L281-S284 WeakPolarHBondContact O-CB 3.42Å; L281-S284 PolarHBondContact O-N 2.83Å; L281-S284 VanDerWaalsContact O-N 3.09Å | ||
| 282 | T | 88.7 | Confident | 89.4 | Confident | 57 Ų | 57 | 31.7 Ų | 31.7 | 35% | 0.35 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -38.4 | -176.4 | -67.1 | 0 | 0 | 0 | 0 | 112.6 | N208 A213 | N208-T282 VanDerWaalsContact CB-OG1 3.26Å; N208-T282 WeakPolarHBondContact CB-OG1 3.2Å; N208-T282 PolarHBondContact ND2-OG1 3.41Å; N208-T282 PolarHBondContact OD1-N 3.26Å; N208-T282 PolarHBondContact OD1-OG1 3.36Å; N208-T282 VanDerWaalsContact OD1-OG1 3.1Å; A213-T282 HydrophobicContact CB-CG2 3.71Å |
| 283 | G | 87.6 | Confident | 89 | Confident | 1 Ų | 1 | 27.8 Ų | 27.8 | 1% | 0.01 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -9.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | E212 L281 F286 L287 | E212-G283 WeakPolarHBondContact O-CA 3.47Å; L281-G283 VanDerWaalsContact C-N 3.29Å; L281-G283 PolarHBondContact O-N 2.87Å; G283-F286 PolarHBondContact O-N 2.82Å; G283-L287 WeakPolarHBondContact O-CB 3.32Å; G283-L287 PolarHBondContact O-N 2.82Å |
| 284 | S | 89.2 | Confident | 88.8 | Confident | 3 Ų | 3 | 23.4 Ų | 23.4 | 2% | 0.021 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -59.1 | -47 | -173.7 | -76.7 | 0 | 0 | 0 | 0 | 114 | F243 V277 S278 L281 F286 L287 A288 | F243-S284 WeakPolarHBondContact CE1-O 3.11Å; V277-S284 WeakPolarHBondContact CG1-OG 3.45Å; S278-S284 WeakPolarHBondContact O-CB 3.18Å; S278-S284 PolarHBondContact O-OG 2.95Å; L281-S284 WeakPolarHBondContact CB-OG 3.44Å; L281-S284 WeakPolarHBondContact O-CB 3.42Å; L281-S284 PolarHBondContact O-N 2.83Å; L281-S284 VanDerWaalsContact O-N 3.09Å; S284-F286 PolarHBondContact O-N 2.88Å; S284-L287 WeakPolarHBondContact O-CB 3.46Å; S284-L287 PolarHBondContact O-N 2.68Å; S284-A288 WeakPolarHBondContact O-CB 3.41Å; S284-A288 PolarHBondContact O-N 2.85Å |
| 285 | P | 83.9 | Confident | 88.5 | Confident | 52 Ų | 52 | 22.1 Ų | 22.1 | 34% | 0.338 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -56.9 | -47.2 | 177.8 | -26.1 | 36.7 | 0 | 0 | 0 | 112.9 | A288 I289 | P285-A288 PolarHBondContact O-N 3.46Å; P285-I289 WeakPolarHBondContact O-CG1 3.44Å; P285-I289 PolarHBondContact O-N 2.99Å |
| 286 | F | 85.3 | Confident | 88 | Confident | 9 Ų | 9 | 19.2 Ų | 19.2 | 4% | 0.039 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -61.2 | -49.6 | 176.6 | 165.1 | -115 | 0 | 0 | 0 | 111.6 | L124 L127 A213 P215 L217 G283 S284 A288 I289 A290 | L124-F286 HydrophobicContact CD1-CE2 4.15Å; L124-F286 HydrophobicContact CD1-CZ 4.22Å; L127-F286 HydrophobicContact CB-CE1 4.48Å; L127-F286 HydrophobicContact CD2-CD1 4.1Å; L127-F286 HydrophobicContact CD2-CE1 3.44Å; L127-F286 VanDerWaalsContact CD2-CE1 3.44Å; L127-F286 HydrophobicContact CD2-CZ 3.74Å; L127-F286 HydrophobicContact CG-CE1 4.42Å; A213-F286 WeakPolarHBondContact O-CB 3.32Å; P215-F286 VanDerWaalsContact CD-CE2 3.44Å; P215-F286 HydrophobicContact CG-CD2 4.44Å; P215-F286 HydrophobicContact CG-CE2 3.84Å; P215-F286 HydrophobicContact CG-CZ 4.44Å; L217-F286 HydrophobicContact CD1-CD2 3.53Å; L217-F286 HydrophobicContact CD1-CE2 3.4Å; L217-F286 HydrophobicContact CD2-CE2 4.31Å; L217-F286 HydrophobicContact CG-CD2 3.71Å; L217-F286 HydrophobicContact CG-CE2 3.68Å; G283-F286 PolarHBondContact O-N 2.82Å; S284-F286 PolarHBondContact O-N 2.88Å; F286-A288 VanDerWaalsContact C-N 3.29Å; F286-A288 PolarHBondContact O-N 2.75Å; F286-I289 PolarHBondContact O-N 2.66Å; F286-A290 WeakPolarHBondContact O-CB 3.47Å; F286-A290 PolarHBondContact O-N 2.75Å |
| 287 | L | 89.2 | Confident | 87.5 | Confident | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -54.1 | -46.7 | 177.5 | -113 | 169.9 | 0 | 0 | 0 | 111.8 | L127 M140 L142 V277 G283 S284 I289 A290 V291 | L127-L287 HydrophobicContact CD1-CD2 4.05Å; L127-L287 HydrophobicContact CD1-CG 4.43Å; L127-L287 HydrophobicContact CD2-CD2 4.11Å; L127-L287 HydrophobicContact CD2-CG 4.38Å; M140-L287 HydrophobicContact CB-CD2 3.44Å; M140-L287 VanDerWaalsContact CB-CD2 3.44Å; M140-L287 HydrophobicContact CE-CD2 4.36Å; M140-L287 HydrophobicContact CG-CD2 3.54Å; M140-L287 HydrophobicContact SD-CD2 3.36Å; M140-L287 WeakPolarHBondContact SD-CD2 3.25Å; L142-L287 HydrophobicContact CD2-CD1 4.16Å; V277-L287 HydrophobicContact CG2-CD1 4.35Å; G283-L287 WeakPolarHBondContact O-CB 3.32Å; G283-L287 PolarHBondContact O-N 2.82Å; S284-L287 WeakPolarHBondContact O-CB 3.46Å; S284-L287 PolarHBondContact O-N 2.68Å; L287-I289 PolarHBondContact O-N 3.3Å; L287-A290 PolarHBondContact O-N 2.72Å; L287-V291 HydrophobicContact CD2-CG2 4.39Å; L287-V291 WeakPolarHBondContact O-CB 3.27Å; L287-V291 VanDerWaalsContact O-CG2 3.26Å; L287-V291 WeakPolarHBondContact O-CG2 3.4Å; L287-V291 PolarHBondContact O-N 3.05Å |
| 288 | A | 87.5 | Confident | 87.2 | Confident | 1 Ų | 1 | 25.1 Ų | 25.1 | 1% | 0.008 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -63.6 | -46.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | M242 F243 I246 S284 P285 F286 V291 I292 | M242-A288 HydrophobicContact CE-CB 3.5Å; M242-A288 WeakPolarHBondContact CE-O 3.26Å; M242-A288 HydrophobicContact CG-CB 4.17Å; M242-A288 HydrophobicContact SD-CB 4.33Å; F243-A288 HydrophobicContact CD1-CB 3.61Å; F243-A288 HydrophobicContact CE1-CB 3.49Å; F243-A288 VanDerWaalsContact CE1-CB 3.49Å; F243-A288 HydrophobicContact CZ-CB 4.41Å; I246-A288 HydrophobicContact CD1-CB 3.97Å; S284-A288 WeakPolarHBondContact O-CB 3.41Å; S284-A288 PolarHBondContact O-N 2.85Å; P285-A288 PolarHBondContact O-N 3.46Å; F286-A288 VanDerWaalsContact C-N 3.29Å; F286-A288 PolarHBondContact O-N 2.75Å; A288-V291 PolarHBondContact O-N 3.05Å; A288-I292 PolarHBondContact O-N 2.82Å; A288-I292 VanDerWaalsContact O-N 3.15Å |
| 289 | I | 84.1 | Confident | 87 | Confident | 9 Ų | 9 | 26.7 Ų | 26.7 | 5% | 0.046 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -65.8 | -44.1 | 178.4 | -63.4 | 164 | 0 | 0 | 0 | 110.5 | L217 Q218 M242 P285 F286 L287 V291 I292 N293 M314 | L217-I289 HydrophobicContact CB-CB 4.38Å; L217-I289 HydrophobicContact CB-CG2 3.7Å; L217-I289 HydrophobicContact CD1-CG2 4.22Å; Q218-I289 HydrophobicContact CG-CD1 3.33Å; M242-I289 HydrophobicContact CE-CG1 4.34Å; P285-I289 WeakPolarHBondContact O-CG1 3.44Å; P285-I289 PolarHBondContact O-N 2.99Å; F286-I289 PolarHBondContact O-N 2.66Å; L287-I289 PolarHBondContact O-N 3.3Å; I289-V291 VanDerWaalsContact C-N 3.33Å; I289-V291 PolarHBondContact O-N 3.41Å; I289-I292 PolarHBondContact O-N 3.09Å; I289-N293 WeakPolarHBondContact O-CB 3.46Å; I289-N293 PolarHBondContact O-N 3.06Å; I289-M314 HydrophobicContact CB-CE 4.27Å; I289-M314 HydrophobicContact CG1-CE 4.16Å; I289-M314 HydrophobicContact CG2-CE 3.95Å |
| 290 | A | 87.4 | Confident | 86.5 | Confident | 1 Ų | 1 | 26.1 Ų | 26.1 | 1% | 0.008 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -58.6 | -44.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L124 L127 L217 F286 L287 N293 K294 | L124-A290 HydrophobicContact CD1-CB 4.07Å; L127-A290 HydrophobicContact CD2-CB 3.65Å; L217-A290 HydrophobicContact CD1-CB 3.83Å; F286-A290 WeakPolarHBondContact O-CB 3.47Å; F286-A290 PolarHBondContact O-N 2.75Å; L287-A290 PolarHBondContact O-N 2.72Å; A290-N293 PolarHBondContact O-N 3.42Å; A290-K294 VanDerWaalsContact O-CB 3.3Å; A290-K294 WeakPolarHBondContact O-CB 3.26Å; A290-K294 PolarHBondContact O-N 3.46Å |
| 291 | V | 90.9 | Very high | 85.9 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.6 | -44.8 | 177.6 | 169.8 | 0 | 0 | 0 | 0 | 112.2 | F131 C138 M140 I246 L287 A288 I289 K294 H295 F345 | F131-V291 HydrophobicContact CE2-CG1 4.29Å; C138-V291 HydrophobicContact CB-CG1 3.48Å; C138-V291 VanDerWaalsContact CB-CG1 3.48Å; M140-V291 HydrophobicContact CB-CG2 4.48Å; M140-V291 HydrophobicContact CG-CG2 3.3Å; M140-V291 HydrophobicContact SD-CG2 3.69Å; I246-V291 HydrophobicContact CD1-CB 3.95Å; I246-V291 HydrophobicContact CD1-CG1 4.15Å; I246-V291 HydrophobicContact CD1-CG2 4.03Å; I246-V291 HydrophobicContact CG1-CB 4.38Å; I246-V291 HydrophobicContact CG1-CG1 4.05Å; I246-V291 HydrophobicContact CG1-CG2 4.45Å; I246-V291 HydrophobicContact CG2-CG2 4.04Å; L287-V291 HydrophobicContact CD2-CG2 4.39Å; L287-V291 WeakPolarHBondContact O-CB 3.27Å; L287-V291 VanDerWaalsContact O-CG2 3.26Å; L287-V291 WeakPolarHBondContact O-CG2 3.4Å; L287-V291 PolarHBondContact O-N 3.05Å; A288-V291 PolarHBondContact O-N 3.05Å; I289-V291 VanDerWaalsContact C-N 3.33Å; I289-V291 PolarHBondContact O-N 3.41Å; V291-K294 PolarHBondContact O-N 3.23Å; V291-H295 VanDerWaalsContact O-CB 3.24Å; V291-H295 WeakPolarHBondContact O-CB 3.06Å; V291-H295 PolarHBondContact O-N 3.15Å; V291-F345 HydrophobicContact CG1-CE2 4.22Å; V291-F345 HydrophobicContact CG1-CZ 3.72Å |
| 292 | I | 87.6 | Confident | 84.8 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.2 | -44.5 | 179.4 | -70.5 | -165.2 | 0 | 0 | 0 | 110.9 | I239 M242 A288 I289 K294 H295 A296 M314 L340 F345 | I239-I292 HydrophobicContact CD1-CD1 3.45Å; I239-I292 VanDerWaalsContact CD1-CD1 3.45Å; I239-I292 HydrophobicContact CG2-CD1 4.45Å; M242-I292 HydrophobicContact CE-CB 4.35Å; M242-I292 HydrophobicContact CE-CD1 3.25Å; M242-I292 HydrophobicContact CE-CG1 3.71Å; M242-I292 HydrophobicContact CG-CD1 3.84Å; M242-I292 HydrophobicContact SD-CD1 3.58Å; M242-I292 VanDerWaalsContact SD-CD1 3.58Å; A288-I292 PolarHBondContact O-N 2.82Å; A288-I292 VanDerWaalsContact O-N 3.15Å; I289-I292 PolarHBondContact O-N 3.09Å; I292-K294 VanDerWaalsContact C-N 3.32Å; I292-K294 PolarHBondContact O-N 3.09Å; I292-H295 PolarHBondContact O-N 3.36Å; I292-A296 VanDerWaalsContact O-CB 3.25Å; I292-A296 WeakPolarHBondContact O-CB 3.21Å; I292-A296 PolarHBondContact O-N 2.84Å; I292-M314 HydrophobicContact CB-CE 4.05Å; I292-M314 HydrophobicContact CB-SD 4.32Å; I292-M314 HydrophobicContact CD1-CE 4.46Å; I292-M314 HydrophobicContact CD1-SD 3.85Å; I292-M314 HydrophobicContact CG2-CE 3.9Å; I292-M314 HydrophobicContact CG2-SD 3.8Å; I292-L340 HydrophobicContact CG2-CD2 4Å; I292-F345 HydrophobicContact CD1-CD1 4Å; I292-F345 HydrophobicContact CD1-CE1 4.23Å; I292-F345 HydrophobicContact CD1-CG 4.32Å; I292-F345 HydrophobicContact CG1-CD1 4.21Å; I292-F345 HydrophobicContact CG1-CD2 4.5Å; I292-F345 HydrophobicContact CG1-CE1 4.03Å; I292-F345 HydrophobicContact CG1-CE2 4.33Å; I292-F345 HydrophobicContact CG1-CG 4.44Å; I292-F345 HydrophobicContact CG1-CZ 4.1Å |
| 293 | N | 85.2 | Confident | 83.7 | Confident | 56 Ų | 56 | 35.6 Ų | 35.6 | 30% | 0.299 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -60.2 | -44.8 | 176.9 | -73.6 | -16 | 0 | 0 | 0 | 111.2 | I289 A290 A296 E297 | I289-N293 WeakPolarHBondContact O-CB 3.46Å; I289-N293 PolarHBondContact O-N 3.06Å; A290-N293 PolarHBondContact O-N 3.42Å; N293-A296 PolarHBondContact O-N 2.89Å; N293-E297 WeakPolarHBondContact O-CB 3.44Å; N293-E297 PolarHBondContact O-N 2.74Å |
| 294 | K | 88.2 | Confident | 82.3 | Confident | 40 Ų | 40 | 41.7 Ų | 41.7 | 17% | 0.174 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66 | -45.5 | 179.2 | -175.6 | 53.7 | 175.4 | 156.5 | 0 | 112.2 | F131 A290 V291 I292 A296 E297 D298 | F131-K294 HydrophobicContact CD1-CG 3.77Å; F131-K294 HydrophobicContact CD2-CB 4.39Å; F131-K294 HydrophobicContact CD2-CG 3.99Å; F131-K294 HydrophobicContact CE1-CG 3.84Å; F131-K294 HydrophobicContact CE2-CB 4.3Å; F131-K294 HydrophobicContact CE2-CG 4.04Å; F131-K294 HydrophobicContact CG-CG 3.85Å; F131-K294 HydrophobicContact CZ-CG 3.97Å; A290-K294 VanDerWaalsContact O-CB 3.3Å; A290-K294 WeakPolarHBondContact O-CB 3.26Å; A290-K294 PolarHBondContact O-N 3.46Å; V291-K294 PolarHBondContact O-N 3.23Å; I292-K294 VanDerWaalsContact C-N 3.32Å; I292-K294 PolarHBondContact O-N 3.09Å; K294-A296 VanDerWaalsContact C-N 3.3Å; K294-A296 PolarHBondContact O-N 3.02Å; K294-E297 PolarHBondContact O-N 2.79Å; K294-D298 WeakPolarHBondContact CE-OD1 3.3Å; K294-D298 WeakPolarHBondContact CE-OD2 3.39Å; K294-D298 IonicContact NZ-OD1 2.68Å; K294-D298 PolarHBondContact NZ-OD1 3.19Å; K294-D298 IonicContact NZ-OD2 3.18Å; K294-D298 PolarHBondContact NZ-OD2 2.7Å; K294-D298 WeakPolarHBondContact O-CB 3.35Å; K294-D298 VanDerWaalsContact O-CG 3.32Å; K294-D298 PolarHBondContact O-N 3.35Å |
| 295 | H | 89.4 | Confident | 80.7 | Confident | 1 Ų | 1 | 49.9 Ų | 49.9 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.3 | -40.8 | 175.6 | -177.3 | 70.7 | 0 | 0 | 0 | 111.6 | V291 I292 N299 L339 S342 G343 | V291-H295 VanDerWaalsContact O-CB 3.24Å; V291-H295 WeakPolarHBondContact O-CB 3.06Å; V291-H295 PolarHBondContact O-N 3.15Å; I292-H295 PolarHBondContact O-N 3.36Å; H295-N299 PolarHBondContact CE1-ND2 2.86Å; H295-N299 WeakPolarHBondContact O-CB 3.13Å; H295-N299 PolarHBondContact O-N 3.18Å; H295-N299 PolarHBondContact O-ND2 3.4Å; H295-L339 PolarHBondContact NE2-O 3.12Å; H295-S342 PolarHBondContact CE1-OG 3.22Å; H295-S342 VanDerWaalsContact CE1-OG 3.3Å; H295-S342 PolarHBondContact NE2-OG 2.95Å; H295-G343 PolarHBondContact NE2-N 3.28Å |
| 296 | A | 84.1 | Confident | 79.6 | Confident | 4 Ų | 4 | 54 Ų | 54 | 3% | 0.033 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66 | -43.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | I292 N293 K294 N299 A300 W311 L339 | I292-A296 VanDerWaalsContact O-CB 3.25Å; I292-A296 WeakPolarHBondContact O-CB 3.21Å; I292-A296 PolarHBondContact O-N 2.84Å; N293-A296 PolarHBondContact O-N 2.89Å; K294-A296 VanDerWaalsContact C-N 3.3Å; K294-A296 PolarHBondContact O-N 3.02Å; A296-N299 CarbonylContact O-C 3.59Å; A296-N299 PolarHBondContact O-N 3.22Å; A296-A300 PolarHBondContact O-N 2.9Å; A296-W311 VanDerWaalsContact CB-CD1 3.43Å; A296-W311 HydrophobicContact CB-CD2 4.01Å; A296-W311 HydrophobicContact CB-CG 3.87Å; A296-W311 HydrophobicContact CB-CZ2 4.44Å; A296-W311 VanDerWaalsContact CB-NE1 3.3Å; A296-L339 HydrophobicContact CB-CD2 4.26Å |
| 297 | E | 84.1 | Confident | 78.3 | Confident | 123 Ų | 123 | 53.7 Ų | 53.7 | 58% | 0.575 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -61.7 | -48.9 | 176.9 | -175.4 | 179.2 | -158 | 0 | 0 | 111.2 | N293 K294 N299 A300 | N293-E297 WeakPolarHBondContact O-CB 3.44Å; N293-E297 PolarHBondContact O-N 2.74Å; K294-E297 PolarHBondContact O-N 2.79Å; E297-N299 PolarHBondContact O-N 3.36Å; E297-N299 VanDerWaalsContact O-N 3.16Å; E297-A300 WeakPolarHBondContact O-CB 3.47Å; E297-A300 PolarHBondContact O-N 3.01Å; E297-A300 VanDerWaalsContact O-N 3.14Å |
| 298 | D | 86.8 | Confident | 76.8 | Confident | 84 Ų | 84 | 56 Ų | 56 | 45% | 0.449 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -66.9 | -17.9 | -178.2 | -70.2 | -14.7 | 0 | 0 | 0 | 113.4 | F131 K294 | F131-D298 WeakPolarHBondContact CE1-OD2 3.36Å; K294-D298 WeakPolarHBondContact CE-OD1 3.3Å; K294-D298 WeakPolarHBondContact CE-OD2 3.39Å; K294-D298 IonicContact NZ-OD1 2.68Å; K294-D298 PolarHBondContact NZ-OD1 3.19Å; K294-D298 IonicContact NZ-OD2 3.18Å; K294-D298 PolarHBondContact NZ-OD2 2.7Å; K294-D298 WeakPolarHBondContact O-CB 3.35Å; K294-D298 VanDerWaalsContact O-CG 3.32Å; K294-D298 PolarHBondContact O-N 3.35Å |
| 299 | N | 83.5 | Confident | 75.8 | Confident | 34 Ų | 34 | 56.1 Ų | 56.1 | 18% | 0.182 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110 | 5.7 | 178.1 | -69.6 | -95.3 | 0 | 0 | 0 | 113 | H295 A296 E297 D301 A302 Y303 L339 | H295-N299 PolarHBondContact CE1-ND2 2.86Å; H295-N299 WeakPolarHBondContact O-CB 3.13Å; H295-N299 PolarHBondContact O-N 3.18Å; H295-N299 PolarHBondContact O-ND2 3.4Å; A296-N299 CarbonylContact O-C 3.59Å; A296-N299 PolarHBondContact O-N 3.22Å; E297-N299 PolarHBondContact O-N 3.36Å; E297-N299 VanDerWaalsContact O-N 3.16Å; N299-D301 VanDerWaalsContact C-N 3.27Å; N299-D301 PolarHBondContact O-N 3.17Å; N299-A302 PolarHBondContact O-N 2.99Å; N299-A302 VanDerWaalsContact O-N 3.11Å; N299-Y303 HydrophobicContact CB-CD2 4.2Å; N299-Y303 HydrophobicContact CB-CE2 4.17Å; N299-Y303 WeakPolarHBondContact O-CD2 3.46Å; N299-L339 HydrophobicContact CB-CD1 4.35Å; N299-L339 HydrophobicContact CB-CG 4.36Å |
| 300 | A | 75 | Confident | 75.1 | Confident | 33 Ų | 33 | 55.9 Ų | 55.9 | 27% | 0.273 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -29.6 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | A296 E297 A302 | A296-A300 PolarHBondContact O-N 2.9Å; E297-A300 WeakPolarHBondContact O-CB 3.47Å; E297-A300 PolarHBondContact O-N 3.01Å; E297-A300 VanDerWaalsContact O-N 3.14Å; A300-A302 VanDerWaalsContact C-N 3.31Å; A300-A302 PolarHBondContact O-N 2.9Å |
| 301 | D | 76.1 | Confident | 74.7 | Confident | 172 Ų | 172 | 56.9 Ų | 56.9 | 92% | 0.92 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | -27.5 | 178.6 | -67 | -32.5 | 0 | 0 | 0 | 112.7 | N299 | N299-D301 VanDerWaalsContact C-N 3.27Å; N299-D301 PolarHBondContact O-N 3.17Å |
| 302 | A | 67.8 | Low | 73.9 | Confident | 78 Ų | 78 | 60.6 Ų | 60.6 | 65% | 0.645 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -23.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | N299 A300 | N299-A302 PolarHBondContact O-N 2.99Å; N299-A302 VanDerWaalsContact O-N 3.11Å; A300-A302 VanDerWaalsContact C-N 3.31Å; A300-A302 PolarHBondContact O-N 2.9Å |
| 303 | Y | 64.9 | Low | 73.5 | Confident | 47 Ų | 47 | 60.6 Ų | 60.6 | 18% | 0.184 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -121.9 | 118.4 | -178.9 | -60.3 | -84.8 | 0 | 0 | 0 | 107.9 | N299 Q305 K338 L339 | N299-Y303 HydrophobicContact CB-CD2 4.2Å; N299-Y303 HydrophobicContact CB-CE2 4.17Å; N299-Y303 WeakPolarHBondContact O-CD2 3.46Å; Y303-Q305 PolarHBondContact O-N 3.11Å; Y303-K338 HydrophobicContact CD1-CB 4.43Å; Y303-K338 HydrophobicContact CE1-CB 3.56Å; Y303-K338 PolarHBondContact OH-O 3.09Å; Y303-L339 HydrophobicContact CD1-CB 4Å; Y303-L339 HydrophobicContact CD2-CB 3.66Å; Y303-L339 HydrophobicContact CD2-CD1 3.56Å; Y303-L339 HydrophobicContact CD2-CG 3.74Å; Y303-L339 HydrophobicContact CE1-CB 4.05Å; Y303-L339 HydrophobicContact CE2-CB 3.69Å; Y303-L339 HydrophobicContact CE2-CD1 4.24Å; Y303-L339 HydrophobicContact CE2-CG 3.91Å; Y303-L339 HydrophobicContact CG-CB 3.81Å; Y303-L339 HydrophobicContact CG-CD1 3.91Å; Y303-L339 HydrophobicContact CG-CG 4.27Å; Y303-L339 VanDerWaalsContact CZ-CA 3.47Å |
| 304 | K | 58.2 | Low | 73.2 | Confident | 129 Ų | 129 | 58.3 Ų | 58.3 | 56% | 0.561 | 30% | 0.3 | S | S | * | . | trans | -38.5 | 140.4 | -173.1 | -62.9 | -179 | -173.5 | 165.9 | 0 | 112.1 | R306 A307 E335 | K304-R306 PolarHBondContact O-N 3.49Å; K304-A307 PolarHBondContact O-N 2.87Å; K304-E335 WeakPolarHBondContact CD-OE1 3.49Å | ||
| 305 | Q | 56.4 | Low | 72.7 | Confident | 174 Ų | 174 | 58 Ų | 58 | 81% | 0.813 | 30% | 0.298 | S | S | * | . | G | 310 helix | trans | -47.5 | -19.4 | -177.6 | -72.4 | -179.7 | -5.4 | 0 | 0 | 115.1 | Y303 A307 A308 | Y303-Q305 PolarHBondContact O-N 3.11Å; Q305-A307 PolarHBondContact O-N 3.23Å; Q305-A308 VanDerWaalsContact O-CB 3.27Å; Q305-A308 WeakPolarHBondContact O-CB 3.33Å; Q305-A308 PolarHBondContact O-N 2.82Å |
| 306 | R | 60.1 | Low | 72.2 | Confident | 140 Ų | 140 | 59.7 Ų | 59.7 | 53% | 0.528 | 31% | 0.308 | S | S | . | . | G | 310 helix | trans | -53.6 | -35 | 172.8 | -65.2 | -174.2 | 179.2 | 165.6 | -2.4 | 113.6 | K304 V332 | K304-R306 PolarHBondContact O-N 3.49Å; R306-V332 HydrophobicContact CB-CG2 3.96Å |
| 307 | A | 57.5 | Low | 72 | Confident | 1 Ų | 1 | 60.7 Ų | 60.7 | 1% | 0.008 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -77.3 | -20.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | K304 Q305 G309 V310 W311 | K304-A307 PolarHBondContact O-N 2.87Å; Q305-A307 PolarHBondContact O-N 3.23Å; A307-G309 PolarHBondContact O-N 2.88Å; A307-G309 VanDerWaalsContact O-N 3.16Å; A307-V310 WeakPolarHBondContact O-CB 3.28Å; A307-V310 PolarHBondContact O-N 2.76Å; A307-W311 HydrophobicContact CB-CZ2 4.45Å; A307-W311 PolarHBondContact O-NE1 3.08Å; A307-W311 VanDerWaalsContact O-NE1 3.1Å |
| 308 | A | 58.7 | Low | 72 | Confident | 50 Ų | 50 | 57.3 Ų | 57.3 | 41% | 0.413 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -33.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q305 W311 | Q305-A308 VanDerWaalsContact O-CB 3.27Å; Q305-A308 WeakPolarHBondContact O-CB 3.33Å; Q305-A308 PolarHBondContact O-N 2.82Å; A308-W311 VanDerWaalsContact O-CD1 3.27Å |
| 309 | G | 65.3 | Low | 72.1 | Confident | 2 Ų | 2 | 53.7 Ų | 53.7 | 2% | 0.021 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -9.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | N29 A307 W311 Q312 | N29-G309 WeakPolarHBondContact ND2-CA 3.46Å; N29-G309 PolarHBondContact ND2-O 3.24Å; N29-G309 WeakPolarHBondContact OD1-CA 3.25Å; A307-G309 PolarHBondContact O-N 2.88Å; A307-G309 VanDerWaalsContact O-N 3.16Å; G309-W311 VanDerWaalsContact C-N 3.3Å; G309-W311 PolarHBondContact O-N 2.95Å; G309-Q312 WeakPolarHBondContact O-CB 2.92Å; G309-Q312 PolarHBondContact O-N 3.25Å |
| 310 | V | 70.9 | Confident | 72.4 | Confident | 5 Ų | 5 | 52.1 Ų | 52.1 | 3% | 0.03 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -37 | 179.7 | 173.2 | 0 | 0 | 0 | 0 | 110.2 | A307 Q312 N313 L319 V332 A336 | A307-V310 WeakPolarHBondContact O-CB 3.28Å; A307-V310 PolarHBondContact O-N 2.76Å; V310-Q312 PolarHBondContact O-N 3Å; V310-N313 WeakPolarHBondContact O-CB 3.26Å; V310-N313 PolarHBondContact O-N 2.69Å; V310-L319 HydrophobicContact CG1-CD1 3.69Å; V310-L319 HydrophobicContact CG1-CD2 3.71Å; V310-L319 HydrophobicContact CG1-CG 4.05Å; V310-L319 VanDerWaalsContact O-CD1 3.26Å; V310-L319 WeakPolarHBondContact O-CD1 3.44Å; V310-V332 HydrophobicContact CG2-CG1 3.61Å; V310-A336 HydrophobicContact CG1-CB 4.42Å |
| 311 | W | 77.2 | Confident | 73.1 | Confident | 21 Ų | 21 | 50.9 Ų | 50.9 | 8% | 0.08 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -67.5 | -22.8 | -178.1 | -39.2 | 118.4 | 0 | 0 | 0 | 113.3 | A296 A307 A308 G309 N313 M314 L319 A336 L339 L340 | A296-W311 VanDerWaalsContact CB-CD1 3.43Å; A296-W311 HydrophobicContact CB-CD2 4.01Å; A296-W311 HydrophobicContact CB-CG 3.87Å; A296-W311 HydrophobicContact CB-CZ2 4.44Å; A296-W311 VanDerWaalsContact CB-NE1 3.3Å; A307-W311 HydrophobicContact CB-CZ2 4.45Å; A307-W311 PolarHBondContact O-NE1 3.08Å; A307-W311 VanDerWaalsContact O-NE1 3.1Å; A308-W311 VanDerWaalsContact O-CD1 3.27Å; G309-W311 VanDerWaalsContact C-N 3.3Å; G309-W311 PolarHBondContact O-N 2.95Å; W311-N313 PolarHBondContact O-N 3.38Å; W311-M314 WeakPolarHBondContact O-CB 3.3Å; W311-M314 PolarHBondContact O-N 2.84Å; W311-L319 HydrophobicContact CE3-CD2 4.49Å; W311-L319 HydrophobicContact CZ3-CD2 3.96Å; W311-A336 HydrophobicContact CH2-CB 3.78Å; W311-A336 HydrophobicContact CZ2-CB 4.43Å; W311-A336 HydrophobicContact CZ3-CB 4.48Å; W311-L339 HydrophobicContact CH2-CD2 3.94Å; W311-L339 HydrophobicContact CZ2-CD1 3.87Å; W311-L339 HydrophobicContact CZ2-CD2 3.61Å; W311-L339 HydrophobicContact CZ2-CG 4.21Å; W311-L340 HydrophobicContact CH2-CD1 3.97Å; W311-L340 HydrophobicContact CH2-CD2 4.11Å; W311-L340 HydrophobicContact CH2-CG 3.64Å; W311-L340 HydrophobicContact CZ3-CD1 3.52Å; W311-L340 HydrophobicContact CZ3-CD2 3.94Å; W311-L340 HydrophobicContact CZ3-CG 3.64Å |
| 312 | Q | 75 | Confident | 73.7 | Confident | 79 Ų | 79 | 42.8 Ų | 42.8 | 37% | 0.369 | 22% | 0.218 | S | C | . | . | G | 310 helix | trans | -66.8 | -13 | 171.7 | -61.2 | 177.5 | 10.1 | 0 | 0 | 112.5 | S27 A219 R227 G309 V310 | S27-Q312 PolarHBondContact OG-OE1 3.37Å; A219-Q312 WeakPolarHBondContact CB-O 3.45Å; R227-Q312 PolarHBondContact NH2-O 3.1Å; G309-Q312 WeakPolarHBondContact O-CB 2.92Å; G309-Q312 PolarHBondContact O-N 3.25Å; V310-Q312 PolarHBondContact O-N 3Å |
| 313 | N | 79.1 | Confident | 74.7 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 19% | 0.19 | C | C | . | . | G | 310 helix | trans | -105 | 13.6 | 178.5 | -50.2 | -25.7 | 0 | 0 | 0 | 113.1 | I224 R227 V310 W311 V320 S321 | I224-N313 HydrophobicContact CG2-CB 4.29Å; R227-N313 WeakPolarHBondContact CD-OD1 3.28Å; R227-N313 PolarHBondContact NE-OD1 3.22Å; V310-N313 WeakPolarHBondContact O-CB 3.26Å; V310-N313 PolarHBondContact O-N 2.69Å; W311-N313 PolarHBondContact O-N 3.38Å; N313-V320 WeakPolarHBondContact CB-O 3.5Å; N313-V320 PolarHBondContact ND2-O 3.25Å; N313-V320 PolarHBondContact O-N 3.4Å; N313-S321 PolarHBondContact ND2-OG 3.43Å; N313-S321 VanDerWaalsContact ND2-OG 3.11Å |
| 314 | M | 79.7 | Confident | 75.7 | Confident | 8 Ų | 8 | 40.4 Ų | 40.4 | 4% | 0.039 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 132.6 | 176.4 | -170.1 | 177.9 | 66.7 | 0 | 0 | 110.6 | I239 M242 I289 I292 W311 V316 D318 L319 | I239-M314 HydrophobicContact CD1-CG 4.47Å; I239-M314 HydrophobicContact CD1-SD 3.68Å; M242-M314 HydrophobicContact CE-CE 4.12Å; M242-M314 HydrophobicContact CE-SD 4.23Å; I289-M314 HydrophobicContact CB-CE 4.27Å; I289-M314 HydrophobicContact CG1-CE 4.16Å; I289-M314 HydrophobicContact CG2-CE 3.95Å; I292-M314 HydrophobicContact CB-CE 4.05Å; I292-M314 HydrophobicContact CB-SD 4.32Å; I292-M314 HydrophobicContact CD1-CE 4.46Å; I292-M314 HydrophobicContact CD1-SD 3.85Å; I292-M314 HydrophobicContact CG2-CE 3.9Å; I292-M314 HydrophobicContact CG2-SD 3.8Å; W311-M314 WeakPolarHBondContact O-CB 3.3Å; W311-M314 PolarHBondContact O-N 2.84Å; M314-V316 VanDerWaalsContact CG-O 3.29Å; M314-V316 WeakPolarHBondContact CG-O 3.43Å; M314-D318 CarbonylContact C-O 3.48Å; M314-D318 WeakPolarHBondContact CA-O 3.05Å; M314-L319 HydrophobicContact CB-CD1 4.12Å |
| 315 | Y | 76.6 | Confident | 77.1 | Confident | 33 Ų | 33 | 37.2 Ų | 37.2 | 13% | 0.129 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 100.2 | 169.2 | -172.9 | -101.6 | 0 | 0 | 0 | 109.2 | Q218 L221 I224 N317 D318 L376 | Q218-Y315 HydrophobicContact CB-CD2 4.49Å; L221-Y315 HydrophobicContact CD1-CD1 4.3Å; L221-Y315 HydrophobicContact CD1-CD2 3.68Å; L221-Y315 HydrophobicContact CD1-CE2 3.97Å; L221-Y315 HydrophobicContact CD1-CG 3.86Å; L221-Y315 HydrophobicContact CD2-CE2 4.29Å; I224-Y315 HydrophobicContact CD1-CD2 4.24Å; Y315-N317 PolarHBondContact O-N 3.37Å; Y315-D318 PolarHBondContact N-O 3.4Å; Y315-D318 PolarHBondContact O-N 3.02Å; Y315-L376 HydrophobicContact CD1-CD2 3.87Å; Y315-L376 HydrophobicContact CG-CD2 3.84Å |
| 316 | V | 78.1 | Confident | 78.9 | Confident | 36 Ų | 36 | 30.8 Ų | 30.8 | 22% | 0.218 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.3 | -113 | -170.3 | -168.4 | 0 | 0 | 0 | 0 | 109.9 | M242 F243 M314 | M242-V316 VanDerWaalsContact SD-O 3.37Å; F243-V316 HydrophobicContact CZ-CG1 4.13Å; M314-V316 VanDerWaalsContact CG-O 3.29Å; M314-V316 WeakPolarHBondContact CG-O 3.43Å |
| 317 | N | 80.8 | Confident | 80.4 | Confident | 25 Ų | 25 | 30.3 Ų | 30.3 | 13% | 0.134 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -13.3 | -178.7 | -55.3 | -28.3 | 0 | 0 | 0 | 112.6 | D238 I239 M242 Y315 | D238-N317 WeakPolarHBondContact CA-O 3.21Å; I239-N317 HydrophobicContact CB-CB 4.43Å; I239-N317 WeakPolarHBondContact CG1-O 3.41Å; I239-N317 PolarHBondContact N-O 2.72Å; M242-N317 WeakPolarHBondContact CB-OD1 3.33Å; M242-N317 PolarHBondContact SD-OD1 3.35Å; M242-N317 VanDerWaalsContact SD-OD1 3.38Å; Y315-N317 PolarHBondContact O-N 3.37Å |
| 318 | D | 83.8 | Confident | 81.9 | Confident | 53 Ų | 53 | 33 Ų | 33 | 28% | 0.283 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 122.4 | -177.7 | -68.8 | -21 | 0 | 0 | 0 | 109.1 | M314 Y315 L376 | M314-D318 CarbonylContact C-O 3.48Å; M314-D318 WeakPolarHBondContact CA-O 3.05Å; Y315-D318 PolarHBondContact N-O 3.4Å; Y315-D318 PolarHBondContact O-N 3.02Å; D318-L376 HydrophobicContact CB-CD2 3.95Å |
| 319 | L | 88.9 | Confident | 83.5 | Confident | 7 Ų | 7 | 30.7 Ų | 30.7 | 4% | 0.037 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 116.5 | 171.3 | 177.7 | 64.9 | 0 | 0 | 0 | 108.8 | Q236 V237 V310 W311 M314 | Q236-L319 CarbonylContact C-O 3.6Å; Q236-L319 WeakPolarHBondContact CA-O 3.44Å; V237-L319 HydrophobicContact CG1-CB 3.79Å; V237-L319 HydrophobicContact CG1-CD2 3.93Å; V237-L319 HydrophobicContact CG1-CG 4.12Å; V237-L319 PolarHBondContact N-O 2.79Å; V237-L319 PolarHBondContact O-N 3.25Å; V310-L319 HydrophobicContact CG1-CD1 3.69Å; V310-L319 HydrophobicContact CG1-CD2 3.71Å; V310-L319 HydrophobicContact CG1-CG 4.05Å; V310-L319 VanDerWaalsContact O-CD1 3.26Å; V310-L319 WeakPolarHBondContact O-CD1 3.44Å; W311-L319 HydrophobicContact CE3-CD2 4.49Å; W311-L319 HydrophobicContact CZ3-CD2 3.96Å; M314-L319 HydrophobicContact CB-CD1 4.12Å |
| 320 | V | 90.2 | Very high | 84.8 | Confident | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.006 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 141.9 | -177.1 | -56.7 | 0 | 0 | 0 | 0 | 109.5 | I224 F228 V235 Q236 N313 T375 L376 | I224-V320 HydrophobicContact CG2-CG2 3.23Å; F228-V320 HydrophobicContact CB-CB 4.34Å; F228-V320 HydrophobicContact CB-CG2 4Å; F228-V320 HydrophobicContact CD2-CB 3.59Å; F228-V320 HydrophobicContact CD2-CG2 4.18Å; F228-V320 HydrophobicContact CE2-CB 3.98Å; F228-V320 HydrophobicContact CG-CB 3.98Å; F228-V320 HydrophobicContact CG-CG2 4.14Å; V235-V320 CarbonylContact O-C 3.19Å; V235-V320 WeakPolarHBondContact O-CA 3.38Å; Q236-V320 HydrophobicContact CB-CB 4.47Å; Q236-V320 HydrophobicContact CB-CG1 3.83Å; N313-V320 WeakPolarHBondContact CB-O 3.5Å; N313-V320 PolarHBondContact ND2-O 3.25Å; N313-V320 PolarHBondContact O-N 3.4Å; V320-T375 HydrophobicContact CG1-CG2 3.71Å; V320-L376 HydrophobicContact CG1-CD1 4.46Å; V320-L376 HydrophobicContact CG1-CG 4.35Å; V320-L376 HydrophobicContact CG2-CD1 3.81Å |
| 321 | S | 89.6 | Confident | 85.7 | Confident | 8 Ų | 8 | 34 Ų | 34 | 6% | 0.056 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 168.9 | 175.3 | -161.7 | 0 | 0 | 0 | 0 | 110.2 | F228 A234 V235 N313 | F228-S321 VanDerWaalsContact CD2-O 3.31Å; F228-S321 WeakPolarHBondContact CD2-O 3.42Å; A234-S321 CarbonylContact C-O 3.34Å; A234-S321 WeakPolarHBondContact CA-O 3.38Å; V235-S321 PolarHBondContact N-O 3.22Å; V235-S321 PolarHBondContact O-N 2.98Å; V235-S321 VanDerWaalsContact O-O 3.11Å; N313-S321 PolarHBondContact ND2-OG 3.43Å; N313-S321 VanDerWaalsContact ND2-OG 3.11Å |
| 322 | S | 89.2 | Confident | 86.3 | Confident | 2 Ų | 2 | 33.1 Ų | 33.1 | 1% | 0.014 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 157.7 | 166.6 | 62.9 | 0 | 0 | 0 | 0 | 111 | R227 F228 R230 F231 V233 | R227-S322 PolarHBondContact O-OG 3.32Å; F228-S322 VanDerWaalsContact O-CB 3.29Å; F228-S322 WeakPolarHBondContact O-CB 3.25Å; R230-S322 PolarHBondContact N-OG 3.45Å; F231-S322 WeakPolarHBondContact CD2-O 3.41Å; F231-S322 PolarHBondContact N-OG 3.07Å; V233-S322 CarbonylContact O-C 3.56Å; V233-S322 WeakPolarHBondContact O-CA 3.28Å |
| 323 | Y | 88.3 | Confident | 87.1 | Confident | 17 Ų | 17 | 29.5 Ų | 29.5 | 7% | 0.067 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 154.2 | -177.4 | -52.8 | -77.5 | 0 | 0 | 0 | 111 | F231 K232 V233 V235 E328 A329 V332 | F231-Y323 WeakPolarHBondContact CB-O 3.36Å; K232-Y323 PolarHBondContact N-O 3.2Å; V233-Y323 PolarHBondContact N-O 3.29Å; V233-Y323 PolarHBondContact O-N 2.92Å; V235-Y323 HydrophobicContact CB-CE2 4.17Å; V235-Y323 HydrophobicContact CG2-CD2 4.08Å; V235-Y323 HydrophobicContact CG2-CE2 4.02Å; Y323-E328 HydrophobicContact CD1-CG 4.01Å; Y323-E328 HydrophobicContact CG-CG 4.4Å; Y323-A329 VanDerWaalsContact CD2-CA 3.44Å; Y323-A329 HydrophobicContact CD2-CB 3.52Å; Y323-A329 HydrophobicContact CE2-CB 4.34Å; Y323-A329 HydrophobicContact CG-CB 3.95Å; Y323-V332 HydrophobicContact CD1-CB 4.38Å; Y323-V332 HydrophobicContact CD1-CG2 4.43Å; Y323-V332 HydrophobicContact CE1-CB 3.7Å; Y323-V332 HydrophobicContact CE1-CG1 3.63Å; Y323-V332 HydrophobicContact CE1-CG2 4.11Å |
| 324 | C | 86.3 | Confident | 87.6 | Confident | 58 Ų | 58 | 30.5 Ų | 30.5 | 39% | 0.392 | 16% | 0.164 | S | C | . | . | S | Bend | trans | -70.2 | -39.9 | -176.6 | -70.2 | 0 | 0 | 0 | 0 | 111.5 | F231 E328 | F231-C324 WeakPolarHBondContact CD1-SG 3.39Å; F231-C324 VanDerWaalsContact CE1-SG 3.58Å; C324-E328 WeakPolarHBondContact CB-OE2 3.15Å; C324-E328 PolarHBondContact N-OE2 2.69Å |
| 325 | T | 88.2 | Confident | 88.1 | Confident | 61 Ų | 61 | 31.2 Ų | 31.2 | 37% | 0.374 | 17% | 0.167 | S | C | . | . | S | Bend | trans | -128.9 | 162.3 | -175.6 | 87.6 | 0 | 0 | 0 | 0 | 112.6 | E327 E328 A329 | T325-E327 VanDerWaalsContact C-N 3.34Å; T325-E327 VanDerWaalsContact CB-OE2 3.24Å; T325-E327 WeakPolarHBondContact CB-OE2 3.46Å; T325-E327 PolarHBondContact OG1-N 3.35Å; T325-E327 PolarHBondContact OG1-OE2 2.73Å; T325-E328 PolarHBondContact O-N 3.12Å; T325-E328 PolarHBondContact OG1-N 2.94Å; T325-A329 WeakPolarHBondContact O-CB 3.45Å; T325-A329 PolarHBondContact O-N 3.26Å |
| 326 | L | 92.6 | Very high | 88.7 | Confident | 39 Ų | 39 | 29.8 Ų | 29.8 | 20% | 0.204 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.7 | -44.2 | 174.8 | 173.9 | 58.7 | 0 | 0 | 0 | 111.2 | E328 A329 I330 E356 A357 | L326-E328 VanDerWaalsContact C-N 3.34Å; L326-E328 PolarHBondContact O-N 3.37Å; L326-A329 PolarHBondContact O-N 3.14Å; L326-I330 HydrophobicContact CD1-CD1 3.67Å; L326-I330 HydrophobicContact CD1-CG1 3.99Å; L326-I330 HydrophobicContact CG-CD1 3.81Å; L326-I330 HydrophobicContact CG-CG1 4.46Å; L326-I330 WeakPolarHBondContact O-CB 3.45Å; L326-I330 VanDerWaalsContact O-CG1 3.24Å; L326-I330 WeakPolarHBondContact O-CG1 3.15Å; L326-I330 PolarHBondContact O-N 3.45Å; L326-E356 HydrophobicContact CD1-CB 3.99Å; L326-E356 HydrophobicContact CD2-CB 4.06Å; L326-E356 VanDerWaalsContact CD2-OE2 3.32Å; L326-E356 WeakPolarHBondContact CD2-OE2 3.26Å; L326-A357 VanDerWaalsContact CD1-CA 3.44Å; L326-A357 HydrophobicContact CD1-CB 3.63Å; L326-A357 VanDerWaalsContact CD1-N 3.35Å |
| 327 | E | 92.3 | Very high | 89.3 | Confident | 130 Ų | 130 | 31.9 Ų | 31.9 | 61% | 0.607 | 17% | 0.166 | S | C | * | . | H | α-helix | trans | -63.4 | -41.9 | -178.9 | -57.9 | 73.2 | -157.9 | 0 | 0 | 111.3 | T325 S331 | T325-E327 VanDerWaalsContact C-N 3.34Å; T325-E327 VanDerWaalsContact CB-OE2 3.24Å; T325-E327 WeakPolarHBondContact CB-OE2 3.46Å; T325-E327 PolarHBondContact OG1-N 3.35Å; T325-E327 PolarHBondContact OG1-OE2 2.73Å; E327-S331 VanDerWaalsContact O-CB 3.28Å; E327-S331 WeakPolarHBondContact O-CB 3.32Å; E327-S331 PolarHBondContact O-N 2.93Å |
| 328 | E | 89.5 | Confident | 89.8 | Confident | 59 Ų | 59 | 35.4 Ų | 35.4 | 28% | 0.276 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -63 | -49 | 174.7 | -175.7 | 179.4 | -145.6 | 0 | 0 | 110.9 | Y323 C324 T325 L326 I330 S331 V332 | Y323-E328 HydrophobicContact CD1-CG 4.01Å; Y323-E328 HydrophobicContact CG-CG 4.4Å; C324-E328 WeakPolarHBondContact CB-OE2 3.15Å; C324-E328 PolarHBondContact N-OE2 2.69Å; T325-E328 PolarHBondContact O-N 3.12Å; T325-E328 PolarHBondContact OG1-N 2.94Å; L326-E328 VanDerWaalsContact C-N 3.34Å; L326-E328 PolarHBondContact O-N 3.37Å; E328-I330 VanDerWaalsContact C-N 3.31Å; E328-I330 PolarHBondContact O-N 3.36Å; E328-S331 PolarHBondContact O-N 2.69Å; E328-V332 HydrophobicContact CG-CG2 4.14Å; E328-V332 WeakPolarHBondContact O-CG2 3.22Å; E328-V332 PolarHBondContact O-N 3.35Å |
| 329 | A | 91.2 | Very high | 90 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -56.5 | -46.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | V233 V235 Y323 T325 L326 S333 A357 | V233-A329 HydrophobicContact CB-CB 4.18Å; V233-A329 HydrophobicContact CG1-CB 3.57Å; V235-A329 HydrophobicContact CG2-CB 4.25Å; Y323-A329 VanDerWaalsContact CD2-CA 3.44Å; Y323-A329 HydrophobicContact CD2-CB 3.52Å; Y323-A329 HydrophobicContact CE2-CB 4.34Å; Y323-A329 HydrophobicContact CG-CB 3.95Å; T325-A329 WeakPolarHBondContact O-CB 3.45Å; T325-A329 PolarHBondContact O-N 3.26Å; L326-A329 PolarHBondContact O-N 3.14Å; A329-S333 WeakPolarHBondContact O-CB 3.48Å; A329-S333 PolarHBondContact O-N 2.94Å; A329-S333 PolarHBondContact O-OG 3.03Å; A329-A357 HydrophobicContact CB-CB 4.03Å |
| 330 | I | 92.7 | Very high | 90.1 | Very high | 42 Ų | 42 | 32.6 Ų | 32.6 | 22% | 0.215 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60.7 | -50.9 | 177.1 | -76.4 | 177.5 | 0 | 0 | 0 | 110.4 | L326 E328 D334 A357 R360 | L326-I330 HydrophobicContact CD1-CD1 3.67Å; L326-I330 HydrophobicContact CD1-CG1 3.99Å; L326-I330 HydrophobicContact CG-CD1 3.81Å; L326-I330 HydrophobicContact CG-CG1 4.46Å; L326-I330 WeakPolarHBondContact O-CB 3.45Å; L326-I330 VanDerWaalsContact O-CG1 3.24Å; L326-I330 WeakPolarHBondContact O-CG1 3.15Å; L326-I330 PolarHBondContact O-N 3.45Å; E328-I330 VanDerWaalsContact C-N 3.31Å; E328-I330 PolarHBondContact O-N 3.36Å; I330-D334 PolarHBondContact O-N 3.35Å; I330-D334 VanDerWaalsContact O-N 3.15Å; I330-A357 HydrophobicContact CG1-CB 4.46Å; I330-R360 PolarHBondContact O-NH2 2.68Å |
| 331 | S | 90.7 | Very high | 90.2 | Very high | 36 Ų | 36 | 38 Ų | 38 | 25% | 0.252 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -62.8 | -53.6 | -176.4 | -172.9 | 0 | 0 | 0 | 0 | 111.6 | E327 E328 S333 D334 E335 | E327-S331 VanDerWaalsContact O-CB 3.28Å; E327-S331 WeakPolarHBondContact O-CB 3.32Å; E327-S331 PolarHBondContact O-N 2.93Å; E328-S331 PolarHBondContact O-N 2.69Å; S331-S333 PolarHBondContact O-N 3.5Å; S331-D334 PolarHBondContact O-N 3.32Å; S331-E335 WeakPolarHBondContact O-CG 2.82Å; S331-E335 PolarHBondContact O-N 2.92Å; S331-E335 VanDerWaalsContact O-N 3.07Å |
| 332 | V | 89.2 | Confident | 90.3 | Very high | 2 Ų | 2 | 39.1 Ų | 39.1 | 1% | 0.012 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -67.5 | -38.2 | -175.8 | -179.9 | 0 | 0 | 0 | 0 | 110.9 | R306 V310 Y323 E328 D334 E335 A336 | R306-V332 HydrophobicContact CB-CG2 3.96Å; V310-V332 HydrophobicContact CG2-CG1 3.61Å; Y323-V332 HydrophobicContact CD1-CB 4.38Å; Y323-V332 HydrophobicContact CD1-CG2 4.43Å; Y323-V332 HydrophobicContact CE1-CB 3.7Å; Y323-V332 HydrophobicContact CE1-CG1 3.63Å; Y323-V332 HydrophobicContact CE1-CG2 4.11Å; E328-V332 HydrophobicContact CG-CG2 4.14Å; E328-V332 WeakPolarHBondContact O-CG2 3.22Å; E328-V332 PolarHBondContact O-N 3.35Å; V332-D334 VanDerWaalsContact C-N 3.33Å; V332-D334 PolarHBondContact O-N 3Å; V332-E335 PolarHBondContact O-N 2.86Å; V332-A336 WeakPolarHBondContact O-CB 3.44Å; V332-A336 PolarHBondContact O-N 3.37Å |
| 333 | S | 91 | Very high | 90.4 | Very high | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.014 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.6 | -36.7 | 176.5 | -62.1 | 0 | 0 | 0 | 0 | 112.7 | A329 S331 R337 F361 | A329-S333 WeakPolarHBondContact O-CB 3.48Å; A329-S333 PolarHBondContact O-N 2.94Å; A329-S333 PolarHBondContact O-OG 3.03Å; S331-S333 PolarHBondContact O-N 3.5Å; S333-R337 VanDerWaalsContact O-CB 3.23Å; S333-R337 WeakPolarHBondContact O-CB 3.39Å; S333-R337 PolarHBondContact O-N 3.3Å; S333-F361 VanDerWaalsContact CB-CE2 3.46Å |
| 334 | D | 90.7 | Very high | 90.7 | Very high | 21 Ų | 21 | 43.7 Ų | 43.7 | 11% | 0.112 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -74.2 | -35.9 | 177.1 | -172.6 | 50.4 | 0 | 0 | 0 | 112.9 | I330 S331 V332 R337 K338 R360 F361 | I330-D334 PolarHBondContact O-N 3.35Å; I330-D334 VanDerWaalsContact O-N 3.15Å; S331-D334 PolarHBondContact O-N 3.32Å; V332-D334 VanDerWaalsContact C-N 3.33Å; V332-D334 PolarHBondContact O-N 3Å; D334-R337 PolarHBondContact O-N 3.06Å; D334-R337 IonicContact OD1-CZ 3.15Å; D334-R337 IonicContact OD1-NE 2.69Å; D334-R337 PolarHBondContact OD1-NE 3.33Å; D334-R337 VanDerWaalsContact OD1-NE 3.15Å; D334-R337 IonicContact OD1-NH2 3.9Å; D334-R337 PolarHBondContact OD1-NH2 2.89Å; D334-K338 WeakPolarHBondContact O-CB 3.24Å; D334-K338 VanDerWaalsContact O-CG 3.28Å; D334-K338 WeakPolarHBondContact O-CG 3.45Å; D334-K338 PolarHBondContact O-N 3.32Å; D334-K338 WeakPolarHBondContact OD2-CE 3.45Å; D334-K338 IonicContact OD2-NZ 3.83Å; D334-K338 PolarHBondContact OD2-NZ 3.14Å; D334-R360 IonicContact OD2-NH2 3.95Å; D334-F361 HydrophobicContact CB-CE1 3.72Å; D334-F361 HydrophobicContact CB-CZ 3.73Å |
| 335 | E | 89.9 | Confident | 90.9 | Very high | 24 Ų | 24 | 40.9 Ų | 40.9 | 11% | 0.112 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62 | -50.4 | 171.6 | -73 | 175.5 | -179.3 | 0 | 0 | 110.6 | K304 S331 V332 R337 K338 L339 | K304-E335 WeakPolarHBondContact CD-OE1 3.49Å; S331-E335 WeakPolarHBondContact O-CG 2.82Å; S331-E335 PolarHBondContact O-N 2.92Å; S331-E335 VanDerWaalsContact O-N 3.07Å; V332-E335 PolarHBondContact O-N 2.86Å; E335-R337 VanDerWaalsContact C-N 3.32Å; E335-R337 PolarHBondContact O-N 3.45Å; E335-K338 PolarHBondContact O-N 2.86Å; E335-L339 WeakPolarHBondContact O-CB 3.32Å; E335-L339 PolarHBondContact O-N 3.48Å |
| 336 | A | 89 | Confident | 91.1 | Very high | 3 Ų | 3 | 40.5 Ų | 40.5 | 3% | 0.025 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -58.4 | -42.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | V310 W311 V332 L339 L340 | V310-A336 HydrophobicContact CG1-CB 4.42Å; W311-A336 HydrophobicContact CH2-CB 3.78Å; W311-A336 HydrophobicContact CZ2-CB 4.43Å; W311-A336 HydrophobicContact CZ3-CB 4.48Å; V332-A336 WeakPolarHBondContact O-CB 3.44Å; V332-A336 PolarHBondContact O-N 3.37Å; A336-L339 PolarHBondContact O-N 3.03Å; A336-L340 WeakPolarHBondContact O-CB 3.48Å; A336-L340 PolarHBondContact O-N 3.26Å |
| 337 | R | 90.7 | Very high | 91.1 | Very high | 79 Ų | 79 | 39.3 Ų | 39.3 | 30% | 0.298 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -61 | -46.4 | 175.8 | -176.4 | -172.8 | 71.4 | 105.2 | 0.9 | 112.4 | S333 D334 E335 K341 L347 W350 | S333-R337 VanDerWaalsContact O-CB 3.23Å; S333-R337 WeakPolarHBondContact O-CB 3.39Å; S333-R337 PolarHBondContact O-N 3.3Å; D334-R337 PolarHBondContact O-N 3.06Å; D334-R337 IonicContact OD1-CZ 3.15Å; D334-R337 IonicContact OD1-NE 2.69Å; D334-R337 PolarHBondContact OD1-NE 3.33Å; D334-R337 VanDerWaalsContact OD1-NE 3.15Å; D334-R337 IonicContact OD1-NH2 3.9Å; D334-R337 PolarHBondContact OD1-NH2 2.89Å; E335-R337 VanDerWaalsContact C-N 3.32Å; E335-R337 PolarHBondContact O-N 3.45Å; R337-K341 WeakPolarHBondContact O-CB 3.4Å; R337-K341 PolarHBondContact O-N 2.95Å; R337-L347 HydrophobicContact CB-CD1 4.2Å; R337-W350 HydrophobicContact CB-CH2 4.23Å; R337-W350 HydrophobicContact CB-CZ2 3.96Å; R337-W350 HydrophobicContact CG-CZ2 4.06Å |
| 338 | K | 90.7 | Very high | 90.9 | Very high | 99 Ų | 99 | 36.2 Ų | 36.2 | 43% | 0.43 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -66.3 | -43.2 | 179.8 | -72.6 | 169.5 | -174.6 | 162.9 | 0 | 111.3 | Y303 D334 E335 K341 S342 | Y303-K338 HydrophobicContact CD1-CB 4.43Å; Y303-K338 HydrophobicContact CE1-CB 3.56Å; Y303-K338 PolarHBondContact OH-O 3.09Å; D334-K338 WeakPolarHBondContact O-CB 3.24Å; D334-K338 VanDerWaalsContact O-CG 3.28Å; D334-K338 WeakPolarHBondContact O-CG 3.45Å; D334-K338 PolarHBondContact O-N 3.32Å; D334-K338 WeakPolarHBondContact OD2-CE 3.45Å; D334-K338 IonicContact OD2-NZ 3.83Å; D334-K338 PolarHBondContact OD2-NZ 3.14Å; E335-K338 PolarHBondContact O-N 2.86Å; K338-K341 PolarHBondContact O-N 2.88Å; K338-S342 PolarHBondContact O-N 2.79Å |
| 339 | L | 89.9 | Confident | 90.8 | Very high | 2 Ų | 2 | 39.5 Ų | 39.5 | 1% | 0.01 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.7 | -51.7 | 177.3 | -178.6 | 157.8 | 0 | 0 | 0 | 111.3 | H295 A296 N299 Y303 W311 E335 A336 K341 S342 | H295-L339 PolarHBondContact NE2-O 3.12Å; A296-L339 HydrophobicContact CB-CD2 4.26Å; N299-L339 HydrophobicContact CB-CD1 4.35Å; N299-L339 HydrophobicContact CB-CG 4.36Å; Y303-L339 HydrophobicContact CD1-CB 4Å; Y303-L339 HydrophobicContact CD2-CB 3.66Å; Y303-L339 HydrophobicContact CD2-CD1 3.56Å; Y303-L339 HydrophobicContact CD2-CG 3.74Å; Y303-L339 HydrophobicContact CE1-CB 4.05Å; Y303-L339 HydrophobicContact CE2-CB 3.69Å; Y303-L339 HydrophobicContact CE2-CD1 4.24Å; Y303-L339 HydrophobicContact CE2-CG 3.91Å; Y303-L339 HydrophobicContact CG-CB 3.81Å; Y303-L339 HydrophobicContact CG-CD1 3.91Å; Y303-L339 HydrophobicContact CG-CG 4.27Å; Y303-L339 VanDerWaalsContact CZ-CA 3.47Å; W311-L339 HydrophobicContact CH2-CD2 3.94Å; W311-L339 HydrophobicContact CZ2-CD1 3.87Å; W311-L339 HydrophobicContact CZ2-CD2 3.61Å; W311-L339 HydrophobicContact CZ2-CG 4.21Å; E335-L339 WeakPolarHBondContact O-CB 3.32Å; E335-L339 PolarHBondContact O-N 3.48Å; A336-L339 PolarHBondContact O-N 3.03Å; L339-K341 VanDerWaalsContact C-N 3.34Å; L339-K341 PolarHBondContact O-N 2.76Å; L339-S342 PolarHBondContact O-N 2.85Å; L339-S342 PolarHBondContact O-OG 3.23Å |
| 340 | L | 90.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -67.8 | -36.3 | -179.5 | -77.5 | -173.2 | 0 | 0 | 0 | 112.3 | I239 I292 W311 A336 S342 G343 R344 F345 L347 | I239-L340 HydrophobicContact CD1-CD1 4.23Å; I239-L340 HydrophobicContact CG1-CD1 4.46Å; I292-L340 HydrophobicContact CG2-CD2 4Å; W311-L340 HydrophobicContact CH2-CD1 3.97Å; W311-L340 HydrophobicContact CH2-CD2 4.11Å; W311-L340 HydrophobicContact CH2-CG 3.64Å; W311-L340 HydrophobicContact CZ3-CD1 3.52Å; W311-L340 HydrophobicContact CZ3-CD2 3.94Å; W311-L340 HydrophobicContact CZ3-CG 3.64Å; A336-L340 WeakPolarHBondContact O-CB 3.48Å; A336-L340 PolarHBondContact O-N 3.26Å; L340-S342 VanDerWaalsContact C-N 3.27Å; L340-S342 PolarHBondContact O-N 2.81Å; L340-G343 PolarHBondContact O-N 3.01Å; L340-G343 VanDerWaalsContact O-N 3.1Å; L340-R344 PolarHBondContact O-N 2.61Å; L340-F345 CarbonylContact C-O 3.35Å; L340-F345 HydrophobicContact CB-CB 3.88Å; L340-F345 WeakPolarHBondContact CB-O 3.39Å; L340-F345 HydrophobicContact CD2-CB 4.15Å; L340-F345 HydrophobicContact CD2-CD2 4.41Å; L340-F345 HydrophobicContact CG-CB 4.43Å; L340-F345 WeakPolarHBondContact O-CB 3.42Å; L340-F345 PolarHBondContact O-N 3.48Å; L340-L347 HydrophobicContact CB-CG 4.45Å; L340-L347 HydrophobicContact CD1-CD1 4.08Å; L340-L347 HydrophobicContact CD1-CD2 3.61Å; L340-L347 HydrophobicContact CD1-CG 4Å |
| 341 | K | 92.2 | Very high | 90.9 | Very high | 113 Ų | 113 | 38.8 Ų | 38.8 | 49% | 0.491 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -62.8 | -31.6 | 176.4 | -172.4 | 169.8 | -172.8 | 174.2 | 0 | 112.9 | R337 K338 L339 G343 R344 | R337-K341 WeakPolarHBondContact O-CB 3.4Å; R337-K341 PolarHBondContact O-N 2.95Å; K338-K341 PolarHBondContact O-N 2.88Å; L339-K341 VanDerWaalsContact C-N 3.34Å; L339-K341 PolarHBondContact O-N 2.76Å; K341-G343 PolarHBondContact O-N 2.91Å; K341-R344 PolarHBondContact O-N 2.85Å |
| 342 | S | 91.4 | Very high | 91 | Very high | 33 Ų | 33 | 37 Ų | 37 | 23% | 0.231 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.3 | -31.4 | 175.9 | 75.7 | 0 | 0 | 0 | 0 | 112.1 | Y133 H295 K338 L339 L340 | Y133-S342 PolarHBondContact OH-O 3.29Å; H295-S342 PolarHBondContact CE1-OG 3.22Å; H295-S342 VanDerWaalsContact CE1-OG 3.3Å; H295-S342 PolarHBondContact NE2-OG 2.95Å; K338-S342 PolarHBondContact O-N 2.79Å; L339-S342 PolarHBondContact O-N 2.85Å; L339-S342 PolarHBondContact O-OG 3.23Å; L340-S342 VanDerWaalsContact C-N 3.27Å; L340-S342 PolarHBondContact O-N 2.81Å |
| 343 | G | 91.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | 0.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | H295 L340 K341 | H295-G343 PolarHBondContact NE2-N 3.28Å; L340-G343 PolarHBondContact O-N 3.01Å; L340-G343 VanDerWaalsContact O-N 3.1Å; K341-G343 PolarHBondContact O-N 2.91Å |
| 344 | R | 93.5 | Very high | 91.2 | Very high | 114 Ų | 114 | 39.6 Ų | 39.6 | 43% | 0.43 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 101.3 | -8.1 | -173.8 | 51.2 | -175.6 | 178.4 | -177.6 | -4.1 | 115.2 | N136 R137 Q245 L340 K341 D346 | N136-R344 WeakPolarHBondContact O-CG 3.48Å; N136-R344 PolarHBondContact OD1-NE 3.39Å; N136-R344 PolarHBondContact OD1-NH2 3.45Å; R137-R344 HydrophobicContact CG-CG 4.03Å; Q245-R344 WeakPolarHBondContact CG-O 3.49Å; Q245-R344 PolarHBondContact OE1-O 2.9Å; L340-R344 PolarHBondContact O-N 2.61Å; K341-R344 PolarHBondContact O-N 2.85Å; R344-D346 PolarHBondContact O-N 3.23Å; R344-D346 VanDerWaalsContact O-N 3.14Å |
| 345 | F | 92.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | trans | -90 | 82.1 | -171.3 | -57.4 | -75.5 | 0 | 0 | 0 | 110 | I239 M242 Q245 I246 V291 I292 L340 L347 | I239-F345 HydrophobicContact CG2-CB 3.99Å; I239-F345 HydrophobicContact CG2-CD1 4.07Å; I239-F345 HydrophobicContact CG2-CG 4.5Å; M242-F345 HydrophobicContact CG-CD1 4.32Å; M242-F345 HydrophobicContact CG-CE1 4.27Å; Q245-F345 HydrophobicContact CB-CD1 3.87Å; Q245-F345 HydrophobicContact CB-CE1 3.76Å; Q245-F345 HydrophobicContact CB-CZ 4.43Å; Q245-F345 HydrophobicContact CG-CD1 4.25Å; I246-F345 HydrophobicContact CD1-CE1 4.46Å; I246-F345 HydrophobicContact CG1-CE1 3.97Å; I246-F345 HydrophobicContact CG1-CZ 3.9Å; V291-F345 HydrophobicContact CG1-CE2 4.22Å; V291-F345 HydrophobicContact CG1-CZ 3.72Å; I292-F345 HydrophobicContact CD1-CD1 4Å; I292-F345 HydrophobicContact CD1-CE1 4.23Å; I292-F345 HydrophobicContact CD1-CG 4.32Å; I292-F345 HydrophobicContact CG1-CD1 4.21Å; I292-F345 HydrophobicContact CG1-CD2 4.5Å; I292-F345 HydrophobicContact CG1-CE1 4.03Å; I292-F345 HydrophobicContact CG1-CE2 4.33Å; I292-F345 HydrophobicContact CG1-CG 4.44Å; I292-F345 HydrophobicContact CG1-CZ 4.1Å; L340-F345 CarbonylContact C-O 3.35Å; L340-F345 HydrophobicContact CB-CB 3.88Å; L340-F345 WeakPolarHBondContact CB-O 3.39Å; L340-F345 HydrophobicContact CD2-CB 4.15Å; L340-F345 HydrophobicContact CD2-CD2 4.41Å; L340-F345 HydrophobicContact CG-CB 4.43Å; L340-F345 WeakPolarHBondContact O-CB 3.42Å; L340-F345 PolarHBondContact O-N 3.48Å; F345-L347 PolarHBondContact O-N 2.92Å | ||
| 346 | D | 91.7 | Very high | 91.2 | Very high | 52 Ų | 52 | 46.8 Ų | 46.8 | 28% | 0.278 | 22% | 0.222 | S | C | . | . | trans | -68.9 | 127.6 | 177.4 | -70 | -58 | 0 | 0 | 0 | 111 | E240 R344 | E240-D346 WeakPolarHBondContact CB-O 3.47Å; E240-D346 PolarHBondContact N-O 2.88Å; R344-D346 PolarHBondContact O-N 3.23Å; R344-D346 VanDerWaalsContact O-N 3.14Å | ||
| 347 | L | 91.6 | Very high | 91.3 | Very high | 14 Ų | 14 | 46.7 Ų | 46.7 | 7% | 0.073 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 125 | 179.6 | -73.3 | -169.1 | 0 | 0 | 0 | 111.4 | V237 I239 R337 L340 F345 W350 | V237-L347 HydrophobicContact CG1-CD1 4.14Å; V237-L347 HydrophobicContact CG1-CD2 4.13Å; V237-L347 HydrophobicContact CG2-CB 3.69Å; V237-L347 HydrophobicContact CG2-CD1 4.34Å; V237-L347 HydrophobicContact CG2-CD2 4.16Å; V237-L347 HydrophobicContact CG2-CG 4.29Å; I239-L347 HydrophobicContact CB-CD2 4.45Å; I239-L347 HydrophobicContact CG1-CD2 3.68Å; R337-L347 HydrophobicContact CB-CD1 4.2Å; L340-L347 HydrophobicContact CB-CG 4.45Å; L340-L347 HydrophobicContact CD1-CD1 4.08Å; L340-L347 HydrophobicContact CD1-CD2 3.61Å; L340-L347 HydrophobicContact CD1-CG 4Å; F345-L347 PolarHBondContact O-N 2.92Å; L347-W350 HydrophobicContact CB-CH2 4.45Å; L347-W350 HydrophobicContact CB-CZ2 3.55Å; L347-W350 HydrophobicContact CD1-CH2 3.62Å; L347-W350 HydrophobicContact CD1-CZ2 3.5Å; L347-W350 HydrophobicContact CG-CZ2 4.19Å; L347-W350 PolarHBondContact O-NE1 2.85Å; L347-W350 VanDerWaalsContact O-NE1 3.11Å |
| 348 | K | 89.9 | Confident | 91.3 | Very high | 65 Ų | 65 | 42.9 Ų | 42.9 | 28% | 0.283 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 172.3 | -176.7 | -72 | -162.8 | 173.3 | 167.8 | 0 | 113 | V237 D238 E240 W350 | V237-K348 WeakPolarHBondContact CG2-O 3.1Å; D238-K348 PolarHBondContact N-O 3.25Å; D238-K348 PolarHBondContact O-N 3.32Å; E240-K348 HydrophobicContact CB-CD 4.24Å; E240-K348 HydrophobicContact CB-CG 4.33Å; E240-K348 HydrophobicContact CG-CD 4.39Å; E240-K348 IonicContact OE1-NZ 3.82Å; E240-K348 PolarHBondContact OE1-NZ 2.86Å; E240-K348 VanDerWaalsContact OE1-NZ 3.16Å; E240-K348 WeakPolarHBondContact OE2-CD 3.4Å; E240-K348 WeakPolarHBondContact OE2-CE 3.42Å; E240-K348 IonicContact OE2-NZ 2.86Å; E240-K348 PolarHBondContact OE2-NZ 2.81Å; K348-W350 PolarHBondContact O-N 3.37Å |
| 349 | K | 87 | Confident | 91.2 | Very high | 129 Ų | 129 | 41.2 Ų | 41.2 | 56% | 0.561 | 21% | 0.211 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | 57.9 | 34.9 | 178.4 | -51.9 | 176.3 | -173.4 | 151.1 | 0 | 113.6 | D238 T351 | D238-K349 HydrophobicContact CB-CB 4.3Å; D238-K349 HydrophobicContact CB-CD 3.96Å; D238-K349 HydrophobicContact CB-CG 4.4Å; D238-K349 WeakPolarHBondContact OD2-CE 3.3Å; D238-K349 IonicContact OD2-NZ 3.19Å; D238-K349 PolarHBondContact OD2-NZ 3.29Å; K349-T351 PolarHBondContact O-N 3.14Å; K349-T351 PolarHBondContact O-OG1 2.76Å; K349-T351 VanDerWaalsContact O-OG1 3.14Å |
| 350 | W | 92.3 | Very high | 90.9 | Very high | 18 Ų | 18 | 47.5 Ų | 47.5 | 7% | 0.068 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -50.7 | 125.7 | 175.9 | -65.9 | 91.2 | 0 | 0 | 0 | 111.1 | V235 Q236 V237 R337 L347 K348 V358 F361 | V235-W350 HydrophobicContact CG1-CE3 4.13Å; V235-W350 HydrophobicContact CG1-CZ3 4.19Å; Q236-W350 WeakPolarHBondContact O-CA 3.25Å; V237-W350 HydrophobicContact CB-CD2 3.96Å; V237-W350 HydrophobicContact CB-CE3 3.79Å; V237-W350 HydrophobicContact CB-CH2 4.37Å; V237-W350 HydrophobicContact CB-CZ3 4Å; V237-W350 HydrophobicContact CG1-CE3 4.42Å; V237-W350 HydrophobicContact CG1-CH2 4.28Å; V237-W350 HydrophobicContact CG1-CZ3 4.12Å; V237-W350 HydrophobicContact CG2-CD2 3.44Å; V237-W350 VanDerWaalsContact CG2-CD2 3.44Å; V237-W350 VanDerWaalsContact CG2-CE2 3.41Å; V237-W350 HydrophobicContact CG2-CE3 3.79Å; V237-W350 HydrophobicContact CG2-CG 3.89Å; V237-W350 HydrophobicContact CG2-CH2 4.12Å; V237-W350 HydrophobicContact CG2-CZ2 3.79Å; V237-W350 HydrophobicContact CG2-CZ3 4.1Å; R337-W350 HydrophobicContact CB-CH2 4.23Å; R337-W350 HydrophobicContact CB-CZ2 3.96Å; R337-W350 HydrophobicContact CG-CZ2 4.06Å; L347-W350 HydrophobicContact CB-CH2 4.45Å; L347-W350 HydrophobicContact CB-CZ2 3.55Å; L347-W350 HydrophobicContact CD1-CH2 3.62Å; L347-W350 HydrophobicContact CD1-CZ2 3.5Å; L347-W350 HydrophobicContact CG-CZ2 4.19Å; L347-W350 PolarHBondContact O-NE1 2.85Å; L347-W350 VanDerWaalsContact O-NE1 3.11Å; K348-W350 PolarHBondContact O-N 3.37Å; W350-V358 HydrophobicContact CB-CB 3.91Å; W350-V358 HydrophobicContact CB-CG1 4.13Å; W350-V358 HydrophobicContact CE3-CG1 4Å; W350-F361 HydrophobicContact CB-CB 4.37Å; W350-F361 HydrophobicContact CD2-CB 3.71Å; W350-F361 HydrophobicContact CD2-CD2 4.08Å; W350-F361 HydrophobicContact CD2-CG 4.18Å; W350-F361 HydrophobicContact CE3-CB 4.43Å; W350-F361 AromaticContact CE3-CD2 3.94Å; W350-F361 HydrophobicContact CE3-CD2 3.94Å; W350-F361 HydrophobicContact CE3-CG 4.47Å; W350-F361 HydrophobicContact CG-CB 3.67Å; W350-F361 HydrophobicContact CH2-CD2 4.43Å; W350-F361 HydrophobicContact CZ2-CB 4.36Å; W350-F361 HydrophobicContact CZ2-CG 4.36Å; W350-F361 HydrophobicContact CZ3-CD2 4.14Å |
| 351 | T | 92.9 | Very high | 90.6 | Very high | 8 Ų | 8 | 48 Ų | 48 | 5% | 0.049 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 139.3 | 178.8 | -54 | 0 | 0 | 0 | 0 | 108.5 | V235 Q236 K349 P370 V373 W380 V382 | V235-T351 WeakPolarHBondContact CA-O 3.35Å; Q236-T351 PolarHBondContact N-O 3.5Å; Q236-T351 PolarHBondContact O-N 3.26Å; K349-T351 PolarHBondContact O-N 3.14Å; K349-T351 PolarHBondContact O-OG1 2.76Å; K349-T351 VanDerWaalsContact O-OG1 3.14Å; T351-P370 HydrophobicContact CG2-CG 3.72Å; T351-V373 HydrophobicContact CG2-CG1 4.08Å; T351-V373 HydrophobicContact CG2-CG2 4.28Å; T351-W380 HydrophobicContact CG2-CZ3 3.88Å; T351-V382 HydrophobicContact CG2-CG1 3.96Å; T351-V382 HydrophobicContact CG2-CG2 3.84Å |
| 352 | S | 94.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 148.8 | -178.4 | 174.1 | 0 | 0 | 0 | 0 | 113.1 | A234 C354 H369 V382 | A234-S352 CarbonylContact O-C 3.55Å; A234-S352 WeakPolarHBondContact O-CA 3.19Å; A234-S352 PolarHBondContact O-OG 3.06Å; S352-C354 WeakPolarHBondContact CB-O 3.48Å; S352-C354 PolarHBondContact O-N 2.98Å; S352-C354 PolarHBondContact OG-N 3.49Å; S352-C354 PolarHBondContact OG-O 3.17Å; S352-H369 PolarHBondContact N-CE1 2.88Å; S352-H369 VanDerWaalsContact N-CE1 3.31Å; S352-H369 PolarHBondContact N-NE2 2.92Å; S352-H369 VanDerWaalsContact N-NE2 3.18Å; S352-H369 PolarHBondContact O-CE1 3Å; S352-H369 PolarHBondContact O-NE2 3.15Å; S352-V382 WeakPolarHBondContact O-CG1 2.84Å |
| 353 | S | 92.2 | Very high | 88.3 | Confident | 25 Ų | 25 | 48.5 Ų | 48.5 | 18% | 0.175 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -61.4 | -25 | 168.5 | 59 | 0 | 0 | 0 | 0 | 112 | K232 A234 | K232-S353 PolarHBondContact O-OG 2.64Å; A234-S353 PolarHBondContact N-OG 3.16Å; A234-S353 PolarHBondContact O-N 2.81Å |
| 354 | C | 91.9 | Very high | 86.8 | Confident | 32 Ų | 32 | 52.3 Ų | 52.3 | 22% | 0.216 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -113 | 101.9 | 170.2 | -175.3 | 0 | 0 | 0 | 0 | 109.6 | V233 S352 E356 A357 | V233-C354 HydrophobicContact CG1-CB 3.96Å; V233-C354 HydrophobicContact CG2-CB 4.46Å; S352-C354 WeakPolarHBondContact CB-O 3.48Å; S352-C354 PolarHBondContact O-N 2.98Å; S352-C354 PolarHBondContact OG-N 3.49Å; S352-C354 PolarHBondContact OG-O 3.17Å; C354-E356 PolarHBondContact O-N 3.23Å; C354-E356 VanDerWaalsContact O-N 3.12Å; C354-A357 VanDerWaalsContact O-CB 3.25Å; C354-A357 WeakPolarHBondContact O-CB 3.5Å; C354-A357 PolarHBondContact O-N 3.31Å |
| 355 | P | 90.1 | Very high | 84.9 | Confident | 64 Ų | 64 | 57 Ų | 57 | 42% | 0.416 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -54.6 | -33.2 | -175.8 | -30.3 | 36.7 | 0 | 0 | 0 | 114.4 | A357 V358 A359 H369 | P355-A357 PolarHBondContact O-N 3.49Å; P355-V358 PolarHBondContact O-N 3.42Å; P355-V358 VanDerWaalsContact O-N 3.15Å; P355-A359 PolarHBondContact O-N 3.09Å; P355-H369 HydrophobicContact CB-CB 4.44Å; P355-H369 HydrophobicContact CG-CB 4.26Å |
| 356 | E | 90.8 | Very high | 83 | Confident | 133 Ų | 133 | 60.3 Ų | 60.3 | 62% | 0.621 | 32% | 0.324 | S | S | * | . | G | 310 helix | trans | -58.4 | -31.2 | 177.2 | -64.3 | 175.9 | -178.5 | 0 | 0 | 112.5 | L326 C354 V358 | L326-E356 HydrophobicContact CD1-CB 3.99Å; L326-E356 HydrophobicContact CD2-CB 4.06Å; L326-E356 VanDerWaalsContact CD2-OE2 3.32Å; L326-E356 WeakPolarHBondContact CD2-OE2 3.26Å; C354-E356 PolarHBondContact O-N 3.23Å; C354-E356 VanDerWaalsContact O-N 3.12Å; E356-V358 PolarHBondContact O-N 3.1Å |
| 357 | A | 91.1 | Very high | 81.4 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 35% | 0.345 | C | S | . | . | G | 310 helix | trans | -63.1 | -28.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113 | V233 L326 A329 I330 C354 P355 F361 | V233-A357 HydrophobicContact CG1-CB 3.96Å; L326-A357 VanDerWaalsContact CD1-CA 3.44Å; L326-A357 HydrophobicContact CD1-CB 3.63Å; L326-A357 VanDerWaalsContact CD1-N 3.35Å; A329-A357 HydrophobicContact CB-CB 4.03Å; I330-A357 HydrophobicContact CG1-CB 4.46Å; C354-A357 VanDerWaalsContact O-CB 3.25Å; C354-A357 WeakPolarHBondContact O-CB 3.5Å; C354-A357 PolarHBondContact O-N 3.31Å; P355-A357 PolarHBondContact O-N 3.49Å; A357-F361 WeakPolarHBondContact O-CE2 3.37Å |
| 358 | V | 89.8 | Confident | 80.3 | Confident | 0 Ų | 0 | 73.8 Ų | 73.8 | 0% | 0 | 38% | 0.381 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -120.7 | 0.6 | -175.2 | -63.7 | 0 | 0 | 0 | 0 | 114 | V235 W350 P355 E356 R360 F361 S362 | V235-V358 HydrophobicContact CG1-CG1 3.88Å; W350-V358 HydrophobicContact CB-CB 3.91Å; W350-V358 HydrophobicContact CB-CG1 4.13Å; W350-V358 HydrophobicContact CE3-CG1 4Å; P355-V358 PolarHBondContact O-N 3.42Å; P355-V358 VanDerWaalsContact O-N 3.15Å; E356-V358 PolarHBondContact O-N 3.1Å; V358-R360 PolarHBondContact O-N 3.04Å; V358-R360 VanDerWaalsContact O-N 3.14Å; V358-F361 HydrophobicContact CB-CD2 4.29Å; V358-F361 HydrophobicContact CG1-CD2 4.29Å; V358-F361 PolarHBondContact O-N 3.33Å; V358-S362 PolarHBondContact O-N 3.33Å; V358-S362 VanDerWaalsContact O-N 3.09Å; V358-S362 PolarHBondContact O-OG 2.84Å |
| 359 | A | 87.9 | Confident | 79.6 | Confident | 64 Ų | 64 | 73.2 Ų | 73.2 | 53% | 0.529 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | -36.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | P355 | P355-A359 PolarHBondContact O-N 3.09Š|
| 360 | R | 84.4 | Confident | 79.4 | Confident | 134 Ų | 134 | 69.4 Ų | 69.4 | 51% | 0.506 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -16.8 | 178.7 | 71.8 | 178.9 | -174.4 | 170.7 | -1.4 | 115.2 | I330 D334 V358 | I330-R360 PolarHBondContact O-NH2 2.68Å; D334-R360 IonicContact OD2-NH2 3.95Å; V358-R360 PolarHBondContact O-N 3.04Å; V358-R360 VanDerWaalsContact O-N 3.14Å |
| 361 | F | 83.9 | Confident | 78.9 | Confident | 11 Ų | 11 | 74 Ų | 74 | 5% | 0.048 | 39% | 0.394 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | -13.3 | -179.6 | -48.4 | -54.9 | 0 | 0 | 0 | 112.9 | S333 D334 W350 A357 V358 D363 | S333-F361 VanDerWaalsContact CB-CE2 3.46Å; D334-F361 HydrophobicContact CB-CE1 3.72Å; D334-F361 HydrophobicContact CB-CZ 3.73Å; W350-F361 HydrophobicContact CB-CB 4.37Å; W350-F361 HydrophobicContact CD2-CB 3.71Å; W350-F361 HydrophobicContact CD2-CD2 4.08Å; W350-F361 HydrophobicContact CD2-CG 4.18Å; W350-F361 HydrophobicContact CE3-CB 4.43Å; W350-F361 AromaticContact CE3-CD2 3.94Å; W350-F361 HydrophobicContact CE3-CD2 3.94Å; W350-F361 HydrophobicContact CE3-CG 4.47Å; W350-F361 HydrophobicContact CG-CB 3.67Å; W350-F361 HydrophobicContact CH2-CD2 4.43Å; W350-F361 HydrophobicContact CZ2-CB 4.36Å; W350-F361 HydrophobicContact CZ2-CG 4.36Å; W350-F361 HydrophobicContact CZ3-CD2 4.14Å; A357-F361 WeakPolarHBondContact O-CE2 3.37Å; V358-F361 HydrophobicContact CB-CD2 4.29Å; V358-F361 HydrophobicContact CG1-CD2 4.29Å; V358-F361 PolarHBondContact O-N 3.33Å; F361-D363 PolarHBondContact O-N 2.77Å |
| 362 | S | 71.5 | Confident | 78.4 | Confident | 36 Ų | 36 | 77.3 Ų | 77.3 | 25% | 0.252 | 41% | 0.414 | S | S | . | . | trans | -70.4 | 113.6 | -178.2 | -63.1 | 0 | 0 | 0 | 0 | 109.8 | V358 D364 | V358-S362 PolarHBondContact O-N 3.33Å; V358-S362 VanDerWaalsContact O-N 3.09Å; V358-S362 PolarHBondContact O-OG 2.84Å; S362-D364 PolarHBondContact O-N 3.13Å | ||
| 363 | D | 64.4 | Low | 78 | Confident | 120 Ų | 120 | 78.4 Ų | 78.4 | 64% | 0.642 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -59.7 | -28.7 | 174.7 | -66 | -31.1 | 0 | 0 | 0 | 111.6 | F361 K365 | F361-D363 PolarHBondContact O-N 2.77Å; D363-K365 PolarHBondContact O-N 3.41Å |
| 364 | D | 59.5 | Low | 77.6 | Confident | 80 Ų | 80 | 83 Ų | 83 | 43% | 0.428 | 44% | 0.441 | S | S | . | . | trans | -93.3 | 84.4 | -178.1 | -105.8 | -38.9 | 0 | 0 | 0 | 111.1 | S362 G366 R367 | S362-D364 PolarHBondContact O-N 3.13Å; D364-G366 PolarHBondContact O-N 3.5Å; D364-R367 HydrophobicContact CB-CB 4.1Å; D364-R367 HydrophobicContact CB-CG 4.06Å; D364-R367 WeakPolarHBondContact OD2-CD 3.35Å; D364-R367 IonicContact OD2-CZ 3.29Å; D364-R367 IonicContact OD2-NE 3.58Å; D364-R367 PolarHBondContact OD2-NE 3.45Å; D364-R367 IonicContact OD2-NH1 2.64Å; D364-R367 PolarHBondContact OD2-NH1 2.95Å | ||
| 365 | K | 54.7 | Low | 77.2 | Confident | 211 Ų | 211 | 81.6 Ų | 81.6 | 92% | 0.917 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | 18.3 | 177.7 | -71.8 | -154.3 | 175.5 | -171.8 | 0 | 115.8 | D363 | D363-K365 PolarHBondContact O-N 3.41Š|
| 366 | G | 52.3 | Low | 76.7 | Confident | 71 Ų | 71 | 78.6 Ų | 78.6 | 73% | 0.732 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -155.5 | 3.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 116 | D364 | D364-G366 PolarHBondContact O-N 3.5Š|
| 367 | R | 58.2 | Low | 76 | Confident | 191 Ų | 191 | 74 Ų | 74 | 72% | 0.721 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -83.5 | 137.9 | 171.5 | -76.5 | -167.3 | 176.4 | 147.8 | -9.1 | 110 | D364 H369 | D364-R367 HydrophobicContact CB-CB 4.1Å; D364-R367 HydrophobicContact CB-CG 4.06Å; D364-R367 WeakPolarHBondContact OD2-CD 3.35Å; D364-R367 IonicContact OD2-CZ 3.29Å; D364-R367 IonicContact OD2-NE 3.58Å; D364-R367 PolarHBondContact OD2-NE 3.45Å; D364-R367 IonicContact OD2-NH1 2.64Å; D364-R367 PolarHBondContact OD2-NH1 2.95Å; R367-H369 PolarHBondContact O-N 3.42Å |
| 368 | N | 67.5 | Low | 75.3 | Confident | 158 Ų | 158 | 74.2 Ų | 74.2 | 85% | 0.845 | 40% | 0.401 | S | S | * | . | P | Polyproline II helix | trans | -58 | 135.8 | 167.8 | -73.6 | -17.8 | 0 | 0 | 0 | 109.4 | ||
| 369 | H | 75.9 | Confident | 74.6 | Confident | 53 Ų | 53 | 75.4 Ų | 75.4 | 25% | 0.245 | 41% | 0.41 | C | S | . | . | P | Polyproline II helix | trans | -54.5 | 129.2 | 173 | -161.2 | -78.7 | 0 | 0 | 0 | 108.9 | S352 P355 R367 N371 | S352-H369 PolarHBondContact N-CE1 2.88Å; S352-H369 VanDerWaalsContact N-CE1 3.31Å; S352-H369 PolarHBondContact N-NE2 2.92Å; S352-H369 VanDerWaalsContact N-NE2 3.18Å; S352-H369 PolarHBondContact O-CE1 3Å; S352-H369 PolarHBondContact O-NE2 3.15Å; P355-H369 HydrophobicContact CB-CB 4.44Å; P355-H369 HydrophobicContact CG-CB 4.26Å; R367-H369 PolarHBondContact O-N 3.42Å; H369-N371 PolarHBondContact O-N 3.38Å |
| 370 | P | 81.8 | Confident | 74.5 | Confident | 49 Ų | 49 | 72.3 Ų | 72.3 | 32% | 0.318 | 39% | 0.385 | S | S | . | . | P | Polyproline II helix | trans | -65.1 | 138.7 | -172.6 | 27.2 | -35.7 | 0 | 0 | 0 | 110.8 | T351 V373 V382 | T351-P370 HydrophobicContact CG2-CG 3.72Å; P370-V373 HydrophobicContact CB-CG1 3.57Å; P370-V373 HydrophobicContact CG-CG1 3.47Å; P370-V373 VanDerWaalsContact CG-CG1 3.47Å; P370-V382 WeakPolarHBondContact O-CB 3.15Å; P370-V382 WeakPolarHBondContact O-CG2 3.25Å |
| 371 | N | 82.1 | Confident | 74.3 | Confident | 115 Ų | 115 | 70.5 Ų | 70.5 | 62% | 0.615 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -76.9 | -37.5 | 177.2 | -73.9 | -25.2 | 0 | 0 | 0 | 111.9 | H369 R381 V382 | H369-N371 PolarHBondContact O-N 3.38Å; N371-R381 WeakPolarHBondContact O-CA 3.43Å; N371-V382 PolarHBondContact O-N 3.13Å |
| 372 | V | 82.8 | Confident | 74.5 | Confident | 76 Ų | 76 | 70 Ų | 70 | 46% | 0.461 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 136.3 | 178.6 | -177.1 | 0 | 0 | 0 | 0 | 108.8 | A379 W380 R381 | V372-A379 HydrophobicContact CG1-CB 4.16Å; V372-W380 VanDerWaalsContact CA-O 3.32Å; V372-W380 WeakPolarHBondContact CA-O 3.35Å; V372-R381 HydrophobicContact CG2-CB 4.37Å; V372-R381 HydrophobicContact CG2-CG 4.26Å |
| 373 | V | 86 | Confident | 75.1 | Confident | 24 Ų | 24 | 76.3 Ų | 76.3 | 15% | 0.145 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 158.9 | 178.4 | -65.8 | 0 | 0 | 0 | 0 | 109.5 | T351 P370 A379 W380 V382 | T351-V373 HydrophobicContact CG2-CG1 4.08Å; T351-V373 HydrophobicContact CG2-CG2 4.28Å; P370-V373 HydrophobicContact CB-CG1 3.57Å; P370-V373 HydrophobicContact CG-CG1 3.47Å; P370-V373 VanDerWaalsContact CG-CG1 3.47Å; V373-A379 CarbonylContact O-C 3.48Å; V373-A379 WeakPolarHBondContact O-CA 3.43Å; V373-W380 HydrophobicContact CG2-CB 4.08Å; V373-W380 HydrophobicContact CG2-CD2 4.2Å; V373-W380 HydrophobicContact CG2-CE3 3.45Å; V373-W380 VanDerWaalsContact CG2-CE3 3.45Å; V373-W380 HydrophobicContact CG2-CZ3 4.22Å; V373-W380 PolarHBondContact N-O 2.95Å; V373-W380 PolarHBondContact O-N 3.03Å; V373-V382 HydrophobicContact CB-CG2 4.47Å; V373-V382 HydrophobicContact CG1-CG2 4.21Å; V373-V382 HydrophobicContact CG2-CG2 3.59Å |
| 374 | M | 83 | Confident | 75.9 | Confident | 122 Ų | 122 | 74.9 Ų | 74.9 | 60% | 0.601 | 39% | 0.391 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88 | 127.9 | 169.3 | -64.3 | -57.8 | -64.3 | 0 | 0 | 108.8 | G377 A379 | M374-G377 VanDerWaalsContact CE-C 3.44Å; M374-G377 WeakPolarHBondContact CE-O 3.35Å; M374-A379 HydrophobicContact SD-CB 4.03Å |
| 375 | T | 84.2 | Confident | 77.2 | Confident | 1 Ų | 1 | 72 Ų | 72 | 1% | 0.006 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 113.3 | 178.6 | -55.2 | 0 | 0 | 0 | 0 | 107.1 | F228 Q236 V320 G377 I378 W380 | F228-T375 HydrophobicContact CD1-CG2 4.2Å; F228-T375 HydrophobicContact CE1-CG2 3.78Å; F228-T375 HydrophobicContact CZ-CG2 4.17Å; Q236-T375 PolarHBondContact OE1-OG1 3.33Å; V320-T375 HydrophobicContact CG1-CG2 3.71Å; T375-G377 PolarHBondContact O-N 3.28Å; T375-I378 PolarHBondContact N-O 2.96Å; T375-I378 PolarHBondContact O-N 3.15Å; T375-I378 VanDerWaalsContact O-O 3.09Å; T375-W380 WeakPolarHBondContact OG1-CB 3.47Å |
| 376 | L | 80.1 | Confident | 78.4 | Confident | 2 Ų | 2 | 64.6 Ų | 64.6 | 1% | 0.01 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 55 | 38.6 | 176.7 | -57.4 | 175.7 | 0 | 0 | 0 | 113.5 | L221 I224 L225 Y315 D318 V320 I378 | L221-L376 HydrophobicContact CD1-CB 3.94Å; L221-L376 HydrophobicContact CD1-CD1 3.85Å; L221-L376 HydrophobicContact CD1-CD2 3.93Å; L221-L376 HydrophobicContact CD1-CG 4.12Å; I224-L376 HydrophobicContact CB-CD1 4.23Å; I224-L376 HydrophobicContact CG2-CD1 3.6Å; L225-L376 HydrophobicContact CD2-CB 4.36Å; L225-L376 HydrophobicContact CD2-CD1 3.7Å; L225-L376 HydrophobicContact CG-CD1 3.83Å; Y315-L376 HydrophobicContact CD1-CD2 3.87Å; Y315-L376 HydrophobicContact CG-CD2 3.84Å; D318-L376 HydrophobicContact CB-CD2 3.95Å; V320-L376 HydrophobicContact CG1-CD1 4.46Å; V320-L376 HydrophobicContact CG1-CG 4.35Å; V320-L376 HydrophobicContact CG2-CD1 3.81Å; L376-I378 VanDerWaalsContact C-N 3.27Å; L376-I378 PolarHBondContact O-N 2.87Å |
| 377 | G | 74.7 | Confident | 79.7 | Confident | 36 Ų | 36 | 64 Ų | 64 | 37% | 0.371 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.6 | -3.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | M374 T375 | M374-G377 VanDerWaalsContact CE-C 3.44Å; M374-G377 WeakPolarHBondContact CE-O 3.35Å; T375-G377 PolarHBondContact O-N 3.28Å |
| 378 | I | 75.9 | Confident | 80.1 | Confident | 5 Ų | 5 | 57.7 Ų | 57.7 | 3% | 0.026 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 143 | -179.6 | -58.4 | 170.6 | 0 | 0 | 0 | 109.8 | L99 L102 W103 L225 T375 L376 W380 L387 L388 L389 | L99-I378 HydrophobicContact CD2-CD1 3.5Å; L102-I378 HydrophobicContact CD2-CD1 4.15Å; L102-I378 HydrophobicContact CD2-CG1 3.45Å; L102-I378 VanDerWaalsContact CD2-CG1 3.45Å; W103-I378 HydrophobicContact CZ2-CD1 3.82Å; L225-I378 HydrophobicContact CD1-CD1 3.81Å; T375-I378 PolarHBondContact N-O 2.96Å; T375-I378 PolarHBondContact O-N 3.15Å; T375-I378 VanDerWaalsContact O-O 3.09Å; L376-I378 VanDerWaalsContact C-N 3.27Å; L376-I378 PolarHBondContact O-N 2.87Å; I378-W380 PolarHBondContact O-N 2.76Å; I378-L387 HydrophobicContact CG2-CB 4.2Å; I378-L388 WeakPolarHBondContact CG2-O 3.48Å; I378-L389 HydrophobicContact CD1-CD2 4.3Å; I378-L389 HydrophobicContact CG1-CD2 4.33Å; I378-L389 HydrophobicContact CG2-CD2 4.31Å |
| 379 | A | 76.6 | Confident | 79.9 | Confident | 24 Ų | 24 | 53.1 Ų | 53.1 | 20% | 0.198 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 121.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | V372 V373 M374 L388 | V372-A379 HydrophobicContact CG1-CB 4.16Å; V373-A379 CarbonylContact O-C 3.48Å; V373-A379 WeakPolarHBondContact O-CA 3.43Å; M374-A379 HydrophobicContact SD-CB 4.03Å; A379-L388 HydrophobicContact CB-CB 4.1Å; A379-L388 PolarHBondContact O-N 2.95Å |
| 380 | W | 85.3 | Confident | 78.7 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 118.5 | 171.8 | 176.8 | 41.6 | 0 | 0 | 0 | 109.3 | F228 A234 Q236 T351 V372 V373 T375 I378 V382 D385 L387 | F228-W380 AromaticContact CE1-CD2 3.98Å; F228-W380 HydrophobicContact CE1-CD2 3.98Å; F228-W380 HydrophobicContact CE1-CE3 4.24Å; F228-W380 HydrophobicContact CE1-CG 4.3Å; F228-W380 HydrophobicContact CE1-CZ2 4.45Å; F228-W380 HydrophobicContact CE2-CH2 4.45Å; F228-W380 AromaticContact CZ-CD2 3.86Å; F228-W380 HydrophobicContact CZ-CD2 3.86Å; F228-W380 AromaticContact CZ-CE2 3.87Å; F228-W380 AromaticContact CZ-CE3 3.76Å; F228-W380 HydrophobicContact CZ-CE3 3.76Å; F228-W380 AromaticContact CZ-CH2 3.77Å; F228-W380 HydrophobicContact CZ-CH2 3.77Å; F228-W380 AromaticContact CZ-CZ2 3.83Å; F228-W380 HydrophobicContact CZ-CZ2 3.83Å; F228-W380 AromaticContact CZ-CZ3 3.74Å; F228-W380 HydrophobicContact CZ-CZ3 3.74Å; A234-W380 HydrophobicContact CB-CH2 4.1Å; A234-W380 HydrophobicContact CB-CZ2 3.69Å; Q236-W380 HydrophobicContact CG-CE3 4.39Å; Q236-W380 HydrophobicContact CG-CZ3 3.89Å; T351-W380 HydrophobicContact CG2-CZ3 3.88Å; V372-W380 VanDerWaalsContact CA-O 3.32Å; V372-W380 WeakPolarHBondContact CA-O 3.35Å; V373-W380 HydrophobicContact CG2-CB 4.08Å; V373-W380 HydrophobicContact CG2-CD2 4.2Å; V373-W380 HydrophobicContact CG2-CE3 3.45Å; V373-W380 VanDerWaalsContact CG2-CE3 3.45Å; V373-W380 HydrophobicContact CG2-CZ3 4.22Å; V373-W380 PolarHBondContact N-O 2.95Å; V373-W380 PolarHBondContact O-N 3.03Å; T375-W380 WeakPolarHBondContact OG1-CB 3.47Å; I378-W380 PolarHBondContact O-N 2.76Å; W380-V382 HydrophobicContact CD2-CG2 4.06Å; W380-V382 HydrophobicContact CE3-CG2 3.89Å; W380-V382 HydrophobicContact CH2-CG1 3.95Å; W380-V382 HydrophobicContact CZ2-CG1 4.11Å; W380-V382 HydrophobicContact CZ3-CG1 4.25Å; W380-V382 HydrophobicContact CZ3-CG2 4.12Å; W380-V382 PolarHBondContact O-N 3.13Å; W380-D385 PolarHBondContact NE1-OD1 3.17Å; W380-L387 HydrophobicContact CB-CD2 3.85Å; W380-L387 HydrophobicContact CG-CD2 4.1Å |
| 381 | R | 79.9 | Confident | 77.3 | Confident | 96 Ų | 96 | 62.4 Ų | 62.4 | 36% | 0.362 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 108.7 | 168.4 | -174.1 | -176.8 | -62.3 | 156 | 4.4 | 108.2 | N371 V372 D384 D385 T386 L388 | N371-R381 WeakPolarHBondContact O-CA 3.43Å; V372-R381 HydrophobicContact CG2-CB 4.37Å; V372-R381 HydrophobicContact CG2-CG 4.26Å; R381-D384 WeakPolarHBondContact CD-OD2 3.39Å; R381-D384 HydrophobicContact CG-CB 4.28Å; R381-D384 IonicContact CZ-OD2 3.54Å; R381-D384 IonicContact NE-OD2 2.79Å; R381-D384 IonicContact NH1-OD2 3.61Å; R381-D384 PolarHBondContact NH1-OD2 2.81Å; R381-D385 VanDerWaalsContact O-CA 3.3Å; R381-D385 WeakPolarHBondContact O-CA 3.47Å; R381-D385 PolarHBondContact O-N 3.17Å; R381-T386 PolarHBondContact N-O 3.24Å; R381-T386 PolarHBondContact O-N 3.07Å; R381-L388 HydrophobicContact CB-CD1 4.16Å; R381-L388 HydrophobicContact CB-CG 4.45Å |
| 382 | V | 88.6 | Confident | 75.8 | Confident | 1 Ų | 1 | 61.5 Ų | 61.5 | 1% | 0.006 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -45.1 | -163 | -176.4 | 0 | 0 | 0 | 0 | 112.3 | T351 S352 P370 N371 V373 W380 D384 D385 | T351-V382 HydrophobicContact CG2-CG1 3.96Å; T351-V382 HydrophobicContact CG2-CG2 3.84Å; S352-V382 WeakPolarHBondContact O-CG1 2.84Å; P370-V382 WeakPolarHBondContact O-CB 3.15Å; P370-V382 WeakPolarHBondContact O-CG2 3.25Å; N371-V382 PolarHBondContact O-N 3.13Å; V373-V382 HydrophobicContact CB-CG2 4.47Å; V373-V382 HydrophobicContact CG1-CG2 4.21Å; V373-V382 HydrophobicContact CG2-CG2 3.59Å; W380-V382 HydrophobicContact CD2-CG2 4.06Å; W380-V382 HydrophobicContact CE3-CG2 3.89Å; W380-V382 HydrophobicContact CH2-CG1 3.95Å; W380-V382 HydrophobicContact CZ2-CG1 4.11Å; W380-V382 HydrophobicContact CZ3-CG1 4.25Å; W380-V382 HydrophobicContact CZ3-CG2 4.12Å; W380-V382 PolarHBondContact O-N 3.13Å; V382-D384 PolarHBondContact O-N 3.49Å; V382-D385 PolarHBondContact O-N 2.82Å; V382-D385 VanDerWaalsContact O-N 3.16Å |
| 383 | K | 83.3 | Confident | 74.4 | Confident | 168 Ų | 168 | 66.1 Ų | 66.1 | 73% | 0.73 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -43.8 | -178 | -177.2 | -177 | 176.4 | -175.5 | 0 | 112.6 | D385 | K383-D385 VanDerWaalsContact C-N 3.26Š|
| 384 | D | 81.3 | Confident | 73.4 | Confident | 89 Ų | 89 | 66.9 Ų | 66.9 | 48% | 0.476 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -8.6 | 179.4 | -59 | -13.6 | 0 | 0 | 0 | 111.5 | R381 V382 T386 | R381-D384 WeakPolarHBondContact CD-OD2 3.39Å; R381-D384 HydrophobicContact CG-CB 4.28Å; R381-D384 IonicContact CZ-OD2 3.54Å; R381-D384 IonicContact NE-OD2 2.79Å; R381-D384 IonicContact NH1-OD2 3.61Å; R381-D384 PolarHBondContact NH1-OD2 2.81Å; V382-D384 PolarHBondContact O-N 3.49Å; D384-T386 VanDerWaalsContact C-N 3.34Å; D384-T386 HydrophobicContact CB-CG2 4.22Å; D384-T386 PolarHBondContact O-N 3.15Å |
| 385 | D | 87 | Confident | 73 | Confident | 21 Ų | 21 | 65 Ų | 65 | 11% | 0.112 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 51 | 49.6 | -173.6 | -164.4 | 18.8 | 0 | 0 | 0 | 112.9 | R229 W380 R381 V382 K383 | R229-D385 IonicContact CZ-OD1 3.49Å; R229-D385 VanDerWaalsContact CZ-OD1 3.24Å; R229-D385 IonicContact CZ-OD2 3.62Å; R229-D385 PolarHBondContact NE-O 3.47Å; R229-D385 IonicContact NE-OD1 3.44Å; R229-D385 IonicContact NH1-OD1 2.81Å; R229-D385 PolarHBondContact NH1-OD1 2.95Å; R229-D385 IonicContact NH1-OD2 3.26Å; R229-D385 PolarHBondContact NH1-OD2 2.9Å; R229-D385 PolarHBondContact NH2-O 3.26Å; R229-D385 IonicContact NH2-OD1 3.36Å; R229-D385 IonicContact NH2-OD2 2.72Å; R229-D385 PolarHBondContact NH2-OD2 3.35Å; W380-D385 PolarHBondContact NE1-OD1 3.17Å; R381-D385 VanDerWaalsContact O-CA 3.3Å; R381-D385 WeakPolarHBondContact O-CA 3.47Å; R381-D385 PolarHBondContact O-N 3.17Å; V382-D385 PolarHBondContact O-N 2.82Å; V382-D385 VanDerWaalsContact O-N 3.16Å; K383-D385 VanDerWaalsContact C-N 3.26Å |
| 386 | T | 80.7 | Confident | 73.2 | Confident | 55 Ų | 55 | 72 Ų | 72 | 34% | 0.337 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 137.7 | -176.8 | 48.3 | 0 | 0 | 0 | 0 | 111.9 | R381 D384 | R381-T386 PolarHBondContact N-O 3.24Å; R381-T386 PolarHBondContact O-N 3.07Å; D384-T386 VanDerWaalsContact C-N 3.34Å; D384-T386 HydrophobicContact CB-CG2 4.22Å; D384-T386 PolarHBondContact O-N 3.15Å |
| 387 | L | 78.3 | Confident | 73.5 | Confident | 57 Ų | 57 | 71.9 Ų | 71.9 | 30% | 0.298 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 128.8 | 172.3 | -62.8 | 176.6 | 0 | 0 | 0 | 109.4 | L225 R229 I378 W380 | L225-L387 HydrophobicContact CD2-CD1 3.93Å; R229-L387 HydrophobicContact CG-CD1 3.86Å; R229-L387 HydrophobicContact CG-CG 4.36Å; I378-L387 HydrophobicContact CG2-CB 4.2Å; W380-L387 HydrophobicContact CB-CD2 3.85Å; W380-L387 HydrophobicContact CG-CD2 4.1Å |
| 388 | L | 67.7 | Low | 73.7 | Confident | 60 Ų | 60 | 73.2 Ų | 73.2 | 31% | 0.314 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 115.3 | -178.2 | -59.3 | 175.8 | 0 | 0 | 0 | 109.7 | I378 A379 R381 | I378-L388 WeakPolarHBondContact CG2-O 3.48Å; A379-L388 HydrophobicContact CB-CB 4.1Å; A379-L388 PolarHBondContact O-N 2.95Å; R381-L388 HydrophobicContact CB-CD1 4.16Å; R381-L388 HydrophobicContact CB-CG 4.45Å |
| 389 | L | 62.2 | Low | 73.5 | Confident | 61 Ų | 61 | 76.1 Ų | 76.1 | 32% | 0.319 | 38% | 0.377 | S | S | . | . | trans | -95.3 | 114.4 | 167 | -70.6 | 160.2 | 0 | 0 | 0 | 107.9 | L99 I378 E391 | L99-L389 HydrophobicContact CD1-CD1 3.93Å; L99-L389 HydrophobicContact CD2-CD1 3.86Å; L99-L389 HydrophobicContact CD2-CD2 3.71Å; L99-L389 HydrophobicContact CD2-CG 4.28Å; L99-L389 HydrophobicContact CG-CD1 3.63Å; L99-L389 HydrophobicContact CG-CD2 4.07Å; L99-L389 HydrophobicContact CG-CG 4.47Å; I378-L389 HydrophobicContact CD1-CD2 4.3Å; I378-L389 HydrophobicContact CG1-CD2 4.33Å; I378-L389 HydrophobicContact CG2-CD2 4.31Å; L389-E391 PolarHBondContact O-N 3.35Å; L389-E391 VanDerWaalsContact O-N 3.13Å | ||
| 390 | R | 52.3 | Low | 73.5 | Confident | 235 Ų | 235 | 84.1 Ų | 84.1 | 89% | 0.887 | 41% | 0.41 | S | S | * | . | trans | -80.5 | 93.7 | 174 | -169.2 | 175.7 | -175.4 | 176.9 | 0.4 | 108.4 | ||||
| 391 | E | 51 | Low | 73.4 | Confident | 63 Ų | 63 | 85.2 Ų | 85.2 | 29% | 0.294 | 42% | 0.416 | S | S | . | . | trans | -71.1 | 126.7 | 161.5 | -67 | -172.7 | 166.1 | 0 | 0 | 108.1 | S94 L389 Q393 | S94-E391 WeakPolarHBondContact CB-OE1 3.33Å; S94-E391 VanDerWaalsContact OG-CD 3.29Å; S94-E391 PolarHBondContact OG-OE1 2.92Å; L389-E391 PolarHBondContact O-N 3.35Å; L389-E391 VanDerWaalsContact O-N 3.13Å; E391-Q393 VanDerWaalsContact C-N 3.27Å; E391-Q393 PolarHBondContact O-N 2.93Å | ||
| 392 | L | 50.4 | Low | 73.6 | Confident | 96 Ų | 96 | 82 Ų | 82 | 50% | 0.503 | 40% | 0.404 | S | S | . | . | trans | -69.7 | 94.7 | 162.2 | -73.8 | 163.1 | 0 | 0 | 0 | 105.9 | T394 I412 | L392-T394 PolarHBondContact O-N 3.19Å; L392-I412 HydrophobicContact CD1-CG1 4.39Å | ||
| 393 | Q | 54 | Low | 73.3 | Confident | 173 Ų | 173 | 88.7 Ų | 88.7 | 81% | 0.808 | 44% | 0.439 | S | S | * | . | trans | -72.3 | 115 | 171.7 | -70.1 | -160.5 | -25.6 | 0 | 0 | 108.1 | E391 | E391-Q393 VanDerWaalsContact C-N 3.27Å; E391-Q393 PolarHBondContact O-N 2.93Å | ||
| 394 | T | 64.9 | Low | 73.2 | Confident | 39 Ų | 39 | 87.5 Ų | 87.5 | 24% | 0.239 | 43% | 0.43 | C | S | . | . | trans | -110.4 | 146.2 | 166 | 47.9 | 0 | 0 | 0 | 0 | 107.9 | L392 R396 E408 I412 | L392-T394 PolarHBondContact O-N 3.19Å; T394-R396 PolarHBondContact O-N 2.8Å; T394-E408 HydrophobicContact CG2-CB 4.14Å; T394-I412 HydrophobicContact CG2-CD1 3.26Å | ||
| 395 | D | 75.8 | Confident | 73.6 | Confident | 83 Ų | 83 | 83.6 Ų | 83.6 | 44% | 0.444 | 41% | 0.408 | S | S | . | . | P | Polyproline II helix | trans | -68.2 | 127.2 | 172 | -69.6 | -36.2 | 0 | 0 | 0 | 108.2 | R404 | D395-R404 IonicContact OD2-CZ 2.7Å; D395-R404 IonicContact OD2-NH1 3.63Å; D395-R404 IonicContact OD2-NH2 3.23Å; D395-R404 PolarHBondContact OD2-NH2 2.85Å |
| 396 | R | 86.6 | Confident | 73.7 | Confident | 148 Ų | 148 | 85.3 Ų | 85.3 | 56% | 0.558 | 42% | 0.415 | S | S | * | . | P | Polyproline II helix | trans | -60.7 | 142 | 177.4 | -68.7 | -176.3 | -178.4 | -155.7 | 8.8 | 110.2 | T394 N398 N401 S453 L454 | T394-R396 PolarHBondContact O-N 2.8Å; R396-N398 PolarHBondContact O-N 2.88Å; R396-N401 PolarHBondContact O-ND2 2.74Å; R396-S453 CarbonylContact C-O 3.4Å; R396-S453 VanDerWaalsContact CA-O 3.26Å; R396-S453 WeakPolarHBondContact CA-O 3.42Å; R396-L454 WeakPolarHBondContact CD-O 3.3Å |
| 397 | L | 86.4 | Confident | 73.9 | Confident | 0 Ų | 0 | 89.8 Ų | 89.8 | 0% | 0 | 43% | 0.43 | C | S | . | . | B | Isolated β-bridge | trans | -57 | 124.7 | 175.4 | -178.1 | 61.5 | 0 | 0 | 0 | 109.3 | N401 Y402 W405 S453 L454 D455 H458 I475 | L397-N401 WeakPolarHBondContact CA-OD1 3.45Å; L397-Y402 HydrophobicContact CD1-CD2 4Å; L397-W405 HydrophobicContact CB-CD2 3.96Å; L397-W405 HydrophobicContact CB-CG 3.82Å; L397-W405 HydrophobicContact CD1-CB 3.92Å; L397-W405 HydrophobicContact CD1-CD2 3.86Å; L397-W405 HydrophobicContact CD1-CE3 4.03Å; L397-W405 HydrophobicContact CD1-CG 3.81Å; L397-W405 HydrophobicContact CD2-CD2 4.24Å; L397-W405 HydrophobicContact CD2-CE3 4.27Å; L397-W405 HydrophobicContact CD2-CZ2 4.45Å; L397-W405 HydrophobicContact CD2-CZ3 4.43Å; L397-W405 HydrophobicContact CG-CD2 4.24Å; L397-W405 HydrophobicContact CG-CG 4.34Å; L397-S453 PolarHBondContact N-O 3.37Å; L397-L454 HydrophobicContact CB-CD2 3.7Å; L397-L454 HydrophobicContact CD2-CD2 3.64Å; L397-L454 HydrophobicContact CG-CD2 4.3Å; L397-D455 VanDerWaalsContact O-CB 3.25Å; L397-D455 WeakPolarHBondContact O-CB 3.26Å; L397-D455 PolarHBondContact O-N 2.81Å; L397-D455 VanDerWaalsContact O-OD2 3.07Å; L397-H458 HydrophobicContact CD2-CB 4.19Å; L397-I475 HydrophobicContact CD2-CG2 3.61Å |
| 398 | N | 80.3 | Confident | 74.2 | Confident | 64 Ų | 64 | 89 Ų | 89 | 34% | 0.342 | 42% | 0.424 | S | S | . | . | trans | -129.2 | -169.3 | 175.6 | 65.5 | 40.2 | 0 | 0 | 0 | 110.2 | R396 E400 N401 K479 | R396-N398 PolarHBondContact O-N 2.88Å; N398-E400 PolarHBondContact O-N 3.21Å; N398-E400 PolarHBondContact OD1-N 3.44Å; N398-N401 PolarHBondContact N-OD1 2.83Å; N398-N401 PolarHBondContact ND2-ND2 3.41Å; N398-N401 VanDerWaalsContact OD1-CG 3.29Å; N398-N401 PolarHBondContact OD1-N 2.99Å; N398-N401 PolarHBondContact OD1-OD1 3.22Å; N398-N401 VanDerWaalsContact OD1-OD1 3.11Å; N398-K479 PolarHBondContact O-NZ 3.48Å | ||
| 399 | G | 71.4 | Confident | 75.2 | Confident | 66 Ų | 66 | 86.4 Ų | 86.4 | 68% | 0.68 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -59.5 | -27.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 400 | E | 76.9 | Confident | 76.4 | Confident | 191 Ų | 191 | 87.6 Ų | 87.6 | 89% | 0.893 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -119.9 | -22.3 | -161.8 | -59.7 | -177.2 | 167.5 | 0 | 0 | 113.8 | N398 | N398-E400 PolarHBondContact O-N 3.21Å; N398-E400 PolarHBondContact OD1-N 3.44Å |
| 401 | N | 82.4 | Confident | 77.8 | Confident | 24 Ų | 24 | 78.4 Ų | 78.4 | 13% | 0.128 | 39% | 0.389 | C | S | . | . | trans | -97.4 | 14.5 | -170.7 | 73.4 | -12.6 | 0 | 0 | 0 | 115.4 | R396 L397 N398 L403 R404 W405 | R396-N401 PolarHBondContact O-ND2 2.74Å; L397-N401 WeakPolarHBondContact CA-OD1 3.45Å; N398-N401 PolarHBondContact N-OD1 2.83Å; N398-N401 PolarHBondContact ND2-ND2 3.41Å; N398-N401 VanDerWaalsContact OD1-CG 3.29Å; N398-N401 PolarHBondContact OD1-N 2.99Å; N398-N401 PolarHBondContact OD1-OD1 3.22Å; N398-N401 VanDerWaalsContact OD1-OD1 3.11Å; N401-L403 PolarHBondContact O-N 2.94Å; N401-R404 PolarHBondContact O-N 2.9Å; N401-R404 VanDerWaalsContact O-N 3.08Å; N401-W405 WeakPolarHBondContact O-CB 3.26Å; N401-W405 PolarHBondContact O-N 3.34Å | ||
| 402 | Y | 85 | Confident | 79.1 | Confident | 27 Ų | 27 | 76.5 Ų | 76.5 | 11% | 0.106 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -52 | -45.5 | -170.7 | 172.4 | -115.8 | 0 | 0 | 0 | 114.5 | L397 R404 W405 K406 I475 K479 | L397-Y402 HydrophobicContact CD1-CD2 4Å; Y402-R404 PolarHBondContact O-N 2.96Å; Y402-W405 AromaticContact CD2-CE3 3.99Å; Y402-W405 HydrophobicContact CD2-CE3 3.99Å; Y402-W405 HydrophobicContact CD2-CZ3 4.34Å; Y402-W405 HydrophobicContact CE2-CE3 4.13Å; Y402-W405 HydrophobicContact CE2-CZ3 4.06Å; Y402-W405 PolarHBondContact O-N 3Å; Y402-K406 HydrophobicContact CE1-CD 4.46Å; Y402-K406 HydrophobicContact CE2-CB 4.48Å; Y402-K406 VanDerWaalsContact O-CB 3.25Å; Y402-K406 WeakPolarHBondContact O-CB 3.43Å; Y402-K406 PolarHBondContact O-N 2.85Å; Y402-I475 HydrophobicContact CE2-CG2 4.37Å; Y402-K479 HydrophobicContact CD1-CB 3.92Å; Y402-K479 HydrophobicContact CD1-CG 4.43Å; Y402-K479 HydrophobicContact CD2-CB 3.84Å; Y402-K479 HydrophobicContact CD2-CD 4.41Å; Y402-K479 HydrophobicContact CD2-CG 3.57Å; Y402-K479 HydrophobicContact CE1-CB 3.94Å; Y402-K479 HydrophobicContact CE2-CB 3.84Å; Y402-K479 HydrophobicContact CE2-CG 3.88Å; Y402-K479 HydrophobicContact CG-CB 3.86Å; Y402-K479 HydrophobicContact CG-CD 4.37Å; Y402-K479 HydrophobicContact CG-CG 3.86Å |
| 403 | L | 81.9 | Confident | 80.8 | Confident | 142 Ų | 142 | 72.1 Ų | 72.1 | 74% | 0.743 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -64 | -41.2 | -179.1 | -68 | 174.8 | 0 | 0 | 0 | 112.3 | N401 F407 | N401-L403 PolarHBondContact O-N 2.94Å; L403-F407 PolarHBondContact O-N 3.48Å; L403-F407 VanDerWaalsContact O-N 3.17Å |
| 404 | R | 81.3 | Confident | 82.2 | Confident | 143 Ų | 143 | 70.1 Ų | 70.1 | 54% | 0.54 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -69.4 | -46.6 | 177.6 | 178.8 | 173.2 | 175.6 | -170.4 | -12.2 | 111.1 | D395 N401 Y402 K406 F407 E408 | D395-R404 IonicContact OD2-CZ 2.7Å; D395-R404 IonicContact OD2-NH1 3.63Å; D395-R404 IonicContact OD2-NH2 3.23Å; D395-R404 PolarHBondContact OD2-NH2 2.85Å; N401-R404 PolarHBondContact O-N 2.9Å; N401-R404 VanDerWaalsContact O-N 3.08Å; Y402-R404 PolarHBondContact O-N 2.96Å; R404-K406 VanDerWaalsContact C-N 3.29Å; R404-K406 PolarHBondContact O-N 3.1Å; R404-F407 PolarHBondContact O-N 3.19Å; R404-E408 HydrophobicContact CG-CG 4.45Å; R404-E408 IonicContact CZ-OE1 3.15Å; R404-E408 IonicContact NE-OE1 2.64Å; R404-E408 PolarHBondContact NE-OE1 3.45Å; R404-E408 IonicContact NH2-OE1 3.24Å; R404-E408 PolarHBondContact NH2-OE1 3.1Å; R404-E408 WeakPolarHBondContact O-CG 3.44Å; R404-E408 PolarHBondContact O-N 2.89Å |
| 405 | W | 89.8 | Confident | 82.4 | Confident | 8 Ų | 8 | 73.3 Ų | 73.3 | 3% | 0.03 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -56.6 | -44.7 | 175.2 | 172.4 | 87.5 | 0 | 0 | 0 | 111.4 | L397 N401 Y402 F407 E408 I409 S453 L454 I475 | L397-W405 HydrophobicContact CB-CD2 3.96Å; L397-W405 HydrophobicContact CB-CG 3.82Å; L397-W405 HydrophobicContact CD1-CB 3.92Å; L397-W405 HydrophobicContact CD1-CD2 3.86Å; L397-W405 HydrophobicContact CD1-CE3 4.03Å; L397-W405 HydrophobicContact CD1-CG 3.81Å; L397-W405 HydrophobicContact CD2-CD2 4.24Å; L397-W405 HydrophobicContact CD2-CE3 4.27Å; L397-W405 HydrophobicContact CD2-CZ2 4.45Å; L397-W405 HydrophobicContact CD2-CZ3 4.43Å; L397-W405 HydrophobicContact CG-CD2 4.24Å; L397-W405 HydrophobicContact CG-CG 4.34Å; N401-W405 WeakPolarHBondContact O-CB 3.26Å; N401-W405 PolarHBondContact O-N 3.34Å; Y402-W405 AromaticContact CD2-CE3 3.99Å; Y402-W405 HydrophobicContact CD2-CE3 3.99Å; Y402-W405 HydrophobicContact CD2-CZ3 4.34Å; Y402-W405 HydrophobicContact CE2-CE3 4.13Å; Y402-W405 HydrophobicContact CE2-CZ3 4.06Å; Y402-W405 PolarHBondContact O-N 3Å; W405-F407 PolarHBondContact O-N 2.8Å; W405-E408 PolarHBondContact O-N 2.96Å; W405-I409 HydrophobicContact CD2-CG1 4.13Å; W405-I409 HydrophobicContact CG-CG1 4.35Å; W405-I409 HydrophobicContact CZ2-CG1 4.01Å; W405-I409 HydrophobicContact CZ2-CG2 4.5Å; W405-I409 WeakPolarHBondContact O-CB 3.49Å; W405-I409 VanDerWaalsContact O-CG1 3.3Å; W405-I409 WeakPolarHBondContact O-CG1 3.34Å; W405-I409 PolarHBondContact O-N 3.06Å; W405-S453 WeakPolarHBondContact CZ2-OG 3.35Å; W405-S453 VanDerWaalsContact NE1-CB 3.33Å; W405-S453 PolarHBondContact NE1-O 3.38Å; W405-S453 PolarHBondContact NE1-OG 3.44Å; W405-L454 HydrophobicContact CH2-CD2 4.39Å; W405-L454 HydrophobicContact CZ2-CD2 3.63Å; W405-I475 HydrophobicContact CH2-CD1 3.92Å; W405-I475 HydrophobicContact CH2-CG2 3.8Å; W405-I475 HydrophobicContact CZ2-CD1 4.33Å; W405-I475 HydrophobicContact CZ3-CG2 3.81Å |
| 406 | K | 88 | Confident | 82.4 | Confident | 57 Ų | 57 | 75.5 Ų | 75.5 | 25% | 0.248 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -58.4 | -50.1 | 178.4 | -177.9 | 176.6 | -178.8 | 174.3 | 0 | 110.8 | Y402 R404 I409 E410 | Y402-K406 HydrophobicContact CE1-CD 4.46Å; Y402-K406 HydrophobicContact CE2-CB 4.48Å; Y402-K406 VanDerWaalsContact O-CB 3.25Å; Y402-K406 WeakPolarHBondContact O-CB 3.43Å; Y402-K406 PolarHBondContact O-N 2.85Å; R404-K406 VanDerWaalsContact C-N 3.29Å; R404-K406 PolarHBondContact O-N 3.1Å; K406-I409 PolarHBondContact O-N 3.25Å; K406-E410 WeakPolarHBondContact CE-OE1 3.14Å; K406-E410 HydrophobicContact CG-CG 4.48Å; K406-E410 WeakPolarHBondContact CG-OE1 3.08Å; K406-E410 WeakPolarHBondContact O-CB 3.39Å; K406-E410 VanDerWaalsContact O-CG 3.28Å; K406-E410 WeakPolarHBondContact O-CG 3.29Å; K406-E410 PolarHBondContact O-N 3.29Å |
| 407 | F | 84.5 | Confident | 82.1 | Confident | 148 Ų | 148 | 73.8 Ų | 73.8 | 65% | 0.649 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -60.5 | -46 | 177.6 | -179.5 | -97.1 | 0 | 0 | 0 | 112.9 | L403 R404 W405 I409 A411 | L403-F407 PolarHBondContact O-N 3.48Å; L403-F407 VanDerWaalsContact O-N 3.17Å; R404-F407 PolarHBondContact O-N 3.19Å; W405-F407 PolarHBondContact O-N 2.8Å; F407-I409 PolarHBondContact O-N 3.34Å; F407-A411 PolarHBondContact O-N 2.87Å; F407-A411 VanDerWaalsContact O-N 3.1Å |
| 408 | E | 85 | Confident | 82.1 | Confident | 40 Ų | 40 | 74 Ų | 74 | 19% | 0.187 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -64.1 | -40.2 | 179.3 | -72.7 | 178.9 | -173.5 | 0 | 0 | 111.8 | T394 R404 W405 I412 | T394-E408 HydrophobicContact CG2-CB 4.14Å; R404-E408 HydrophobicContact CG-CG 4.45Å; R404-E408 IonicContact CZ-OE1 3.15Å; R404-E408 IonicContact NE-OE1 2.64Å; R404-E408 PolarHBondContact NE-OE1 3.45Å; R404-E408 IonicContact NH2-OE1 3.24Å; R404-E408 PolarHBondContact NH2-OE1 3.1Å; R404-E408 WeakPolarHBondContact O-CG 3.44Å; R404-E408 PolarHBondContact O-N 2.89Å; W405-E408 PolarHBondContact O-N 2.96Å; E408-I412 VanDerWaalsContact O-CG1 3.27Å; E408-I412 WeakPolarHBondContact O-CG1 3.5Å; E408-I412 PolarHBondContact O-N 3.42Å; E408-I412 VanDerWaalsContact O-N 3.08Å |
| 409 | I | 88.8 | Confident | 82.5 | Confident | 7 Ų | 7 | 72.7 Ų | 72.7 | 4% | 0.036 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -74 | -39 | -179.7 | -68.3 | -63.7 | 0 | 0 | 0 | 112.4 | W405 K406 F407 A411 I412 L413 I449 I450 S453 | W405-I409 HydrophobicContact CD2-CG1 4.13Å; W405-I409 HydrophobicContact CG-CG1 4.35Å; W405-I409 HydrophobicContact CZ2-CG1 4.01Å; W405-I409 HydrophobicContact CZ2-CG2 4.5Å; W405-I409 WeakPolarHBondContact O-CB 3.49Å; W405-I409 VanDerWaalsContact O-CG1 3.3Å; W405-I409 WeakPolarHBondContact O-CG1 3.34Å; W405-I409 PolarHBondContact O-N 3.06Å; K406-I409 PolarHBondContact O-N 3.25Å; F407-I409 PolarHBondContact O-N 3.34Å; I409-A411 VanDerWaalsContact C-N 3.34Å; I409-A411 PolarHBondContact O-N 2.91Å; I409-I412 HydrophobicContact CD1-CD1 4.46Å; I409-I412 PolarHBondContact O-N 2.83Å; I409-L413 HydrophobicContact CG2-CD1 3.78Å; I409-L413 HydrophobicContact CG2-CG 4.24Å; I409-L413 WeakPolarHBondContact O-CB 3.46Å; I409-L413 VanDerWaalsContact O-CG 3.26Å; I409-L413 WeakPolarHBondContact O-CG 3.17Å; I409-L413 PolarHBondContact O-N 3.29Å; I409-I449 HydrophobicContact CD1-CG2 4.07Å; I409-I450 HydrophobicContact CG2-CG1 4.48Å; I409-S453 VanDerWaalsContact CD1-OG 3.25Å; I409-S453 WeakPolarHBondContact CD1-OG 3.5Å |
| 410 | E | 88.5 | Confident | 83.4 | Confident | 85 Ų | 85 | 70.7 Ų | 70.7 | 40% | 0.397 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -58.1 | -47.6 | 172.4 | -75.7 | 170.2 | 174.3 | 0 | 0 | 110.6 | K406 I412 L413 E414 | K406-E410 WeakPolarHBondContact CE-OE1 3.14Å; K406-E410 HydrophobicContact CG-CG 4.48Å; K406-E410 WeakPolarHBondContact CG-OE1 3.08Å; K406-E410 WeakPolarHBondContact O-CB 3.39Å; K406-E410 VanDerWaalsContact O-CG 3.28Å; K406-E410 WeakPolarHBondContact O-CG 3.29Å; K406-E410 PolarHBondContact O-N 3.29Å; E410-I412 VanDerWaalsContact C-N 3.33Å; E410-I412 PolarHBondContact O-N 3.41Å; E410-L413 PolarHBondContact O-N 2.92Å; E410-E414 WeakPolarHBondContact O-CG 3.4Å; E410-E414 PolarHBondContact O-N 3.39Å |
| 411 | A | 80.4 | Confident | 84.2 | Confident | 42 Ų | 42 | 61.7 Ų | 61.7 | 35% | 0.347 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60.1 | -40.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | F407 I409 E414 T415 | F407-A411 PolarHBondContact O-N 2.87Å; F407-A411 VanDerWaalsContact O-N 3.1Å; I409-A411 VanDerWaalsContact C-N 3.34Å; I409-A411 PolarHBondContact O-N 2.91Å; A411-E414 PolarHBondContact O-N 2.76Å; A411-T415 VanDerWaalsContact O-CG2 3.28Å; A411-T415 WeakPolarHBondContact O-CG2 3.13Å; A411-T415 PolarHBondContact O-N 3.01Å; A411-T415 PolarHBondContact O-OG1 3.38Å |
| 412 | I | 79.6 | Confident | 84.6 | Confident | 23 Ų | 23 | 61.1 Ų | 61.1 | 12% | 0.118 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -67.8 | -41.3 | 177.6 | -68.7 | 170 | 0 | 0 | 0 | 111.2 | L392 T394 E408 I409 E410 E414 T415 R416 I449 | L392-I412 HydrophobicContact CD1-CG1 4.39Å; T394-I412 HydrophobicContact CG2-CD1 3.26Å; E408-I412 VanDerWaalsContact O-CG1 3.27Å; E408-I412 WeakPolarHBondContact O-CG1 3.5Å; E408-I412 PolarHBondContact O-N 3.42Å; E408-I412 VanDerWaalsContact O-N 3.08Å; I409-I412 HydrophobicContact CD1-CD1 4.46Å; I409-I412 PolarHBondContact O-N 2.83Å; E410-I412 VanDerWaalsContact C-N 3.33Å; E410-I412 PolarHBondContact O-N 3.41Å; I412-E414 VanDerWaalsContact C-N 3.33Å; I412-E414 PolarHBondContact O-N 2.73Å; I412-T415 PolarHBondContact O-N 3.44Å; I412-T415 PolarHBondContact O-OG1 2.67Å; I412-R416 WeakPolarHBondContact O-CB 3.25Å; I412-R416 VanDerWaalsContact O-CG 3.28Å; I412-R416 WeakPolarHBondContact O-CG 3.43Å; I412-R416 PolarHBondContact O-N 3.18Å; I412-R416 VanDerWaalsContact O-N 3.15Å; I412-I449 HydrophobicContact CB-CG2 4.43Å; I412-I449 HydrophobicContact CG2-CD1 4.08Å; I412-I449 HydrophobicContact CG2-CG1 4.24Å; I412-I449 HydrophobicContact CG2-CG2 3.73Å |
| 413 | L | 85.9 | Confident | 84.8 | Confident | 4 Ų | 4 | 62.6 Ų | 62.6 | 2% | 0.021 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64.8 | -37.4 | 177.9 | -71.6 | 167.5 | 0 | 0 | 0 | 111.9 | I409 E410 R416 D417 C418 S419 V422 A446 I449 | I409-L413 HydrophobicContact CG2-CD1 3.78Å; I409-L413 HydrophobicContact CG2-CG 4.24Å; I409-L413 WeakPolarHBondContact O-CB 3.46Å; I409-L413 VanDerWaalsContact O-CG 3.26Å; I409-L413 WeakPolarHBondContact O-CG 3.17Å; I409-L413 PolarHBondContact O-N 3.29Å; E410-L413 PolarHBondContact O-N 2.92Å; L413-R416 CarbonylContact O-C 3.58Å; L413-R416 PolarHBondContact O-N 3.13Å; L413-D417 PolarHBondContact O-N 2.74Å; L413-C418 HydrophobicContact CD2-CB 4.34Å; L413-C418 PolarHBondContact O-N 3.34Å; L413-S419 PolarHBondContact O-N 2.62Å; L413-V422 HydrophobicContact CD1-CB 4.25Å; L413-V422 HydrophobicContact CD1-CG1 4.24Å; L413-V422 HydrophobicContact CD1-CG2 3.85Å; L413-V422 HydrophobicContact CD2-CG2 4.02Å; L413-A446 HydrophobicContact CD2-CB 3.91Å; L413-I449 HydrophobicContact CD2-CB 4.36Å; L413-I449 HydrophobicContact CD2-CD1 4.02Å; L413-I449 HydrophobicContact CD2-CG2 4.27Å; L413-I449 HydrophobicContact CG-CG2 4.49Å |
| 414 | E | 82.1 | Confident | 85.1 | Confident | 131 Ų | 131 | 56.6 Ų | 56.6 | 61% | 0.612 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -64.6 | -48.2 | 173.2 | -74.7 | 178.6 | -174.7 | 0 | 0 | 111.9 | E410 A411 I412 R416 D417 | E410-E414 WeakPolarHBondContact O-CG 3.4Å; E410-E414 PolarHBondContact O-N 3.39Å; A411-E414 PolarHBondContact O-N 2.76Å; I412-E414 VanDerWaalsContact C-N 3.33Å; I412-E414 PolarHBondContact O-N 2.73Å; E414-R416 PolarHBondContact O-N 2.96Å; E414-R416 VanDerWaalsContact O-N 3.08Å; E414-D417 PolarHBondContact O-N 3.33Å |
| 415 | T | 69.8 | Low | 85.4 | Confident | 106 Ų | 106 | 57.2 Ų | 57.2 | 65% | 0.65 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -62.6 | -20.4 | 178.4 | 60.5 | 0 | 0 | 0 | 0 | 113.4 | A411 I412 | A411-T415 VanDerWaalsContact O-CG2 3.28Å; A411-T415 WeakPolarHBondContact O-CG2 3.13Å; A411-T415 PolarHBondContact O-N 3.01Å; A411-T415 PolarHBondContact O-OG1 3.38Å; I412-T415 PolarHBondContact O-N 3.44Å; I412-T415 PolarHBondContact O-OG1 2.67Å |
| 416 | R | 75 | Confident | 85.3 | Confident | 130 Ų | 130 | 59.1 Ų | 59.1 | 49% | 0.491 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | 8.2 | 177.6 | -61.9 | -61.7 | -174.4 | 172.7 | 0.9 | 113.3 | I412 L413 E414 C418 I449 | I412-R416 WeakPolarHBondContact O-CB 3.25Å; I412-R416 VanDerWaalsContact O-CG 3.28Å; I412-R416 WeakPolarHBondContact O-CG 3.43Å; I412-R416 PolarHBondContact O-N 3.18Å; I412-R416 VanDerWaalsContact O-N 3.15Å; L413-R416 CarbonylContact O-C 3.58Å; L413-R416 PolarHBondContact O-N 3.13Å; E414-R416 PolarHBondContact O-N 2.96Å; E414-R416 VanDerWaalsContact O-N 3.08Å; R416-C418 VanDerWaalsContact C-N 3.29Å; R416-C418 PolarHBondContact O-N 3.07Å; R416-C418 PolarHBondContact O-SG 2.79Å; R416-I449 HydrophobicContact CB-CD1 4.19Å; R416-I449 HydrophobicContact CG-CD1 4.03Å |
| 417 | D | 82.3 | Confident | 85.3 | Confident | 111 Ų | 111 | 63 Ų | 63 | 59% | 0.594 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.4 | 51.2 | 179.7 | -171.7 | 31 | 0 | 0 | 0 | 111.8 | L413 E414 R442 | L413-D417 PolarHBondContact O-N 2.74Å; E414-D417 PolarHBondContact O-N 3.33Å; D417-R442 VanDerWaalsContact O-CZ 3.26Å; D417-R442 PolarHBondContact O-NE 3.36Å; D417-R442 PolarHBondContact O-NH2 3.44Å; D417-R442 IonicContact OD1-NH2 2.73Å; D417-R442 PolarHBondContact OD1-NH2 3.14Å; D417-R442 IonicContact OD2-NH2 3.58Å |
| 418 | C | 85.5 | Confident | 85.3 | Confident | 4 Ų | 4 | 58.6 Ų | 58.6 | 3% | 0.027 | 32% | 0.316 | C | S | . | . | trans | -132.8 | 0.4 | 179.2 | -66 | 0 | 0 | 0 | 0 | 113.5 | L413 R416 D420 L421 A446 | L413-C418 HydrophobicContact CD2-CB 4.34Å; L413-C418 PolarHBondContact O-N 3.34Å; R416-C418 VanDerWaalsContact C-N 3.29Å; R416-C418 PolarHBondContact O-N 3.07Å; R416-C418 PolarHBondContact O-SG 2.79Å; C418-D420 VanDerWaalsContact C-N 3.28Å; C418-D420 PolarHBondContact O-N 2.89Å; C418-L421 HydrophobicContact CB-CD1 4.19Å; C418-L421 PolarHBondContact O-N 3.49Å; C418-A446 HydrophobicContact CB-CB 4.01Å | ||
| 419 | S | 88 | Confident | 85.2 | Confident | 37 Ų | 37 | 59 Ų | 59 | 26% | 0.259 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -59.5 | -39.2 | -176.9 | -168.8 | 0 | 0 | 0 | 0 | 112.2 | L413 L421 V422 S423 | L413-S419 PolarHBondContact O-N 2.62Å; S419-L421 VanDerWaalsContact C-N 3.29Å; S419-L421 PolarHBondContact O-N 3.31Å; S419-V422 PolarHBondContact O-N 2.89Å; S419-S423 PolarHBondContact O-N 3.26Å; S419-S423 PolarHBondContact O-OG 2.79Å |
| 420 | D | 91.8 | Very high | 84.8 | Confident | 24 Ų | 24 | 63.9 Ų | 63.9 | 13% | 0.128 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -60.3 | -31 | 177.2 | 62.1 | -49.8 | 0 | 0 | 0 | 114.1 | C418 S423 G424 E425 T426 R442 | C418-D420 VanDerWaalsContact C-N 3.28Å; C418-D420 PolarHBondContact O-N 2.89Å; D420-S423 PolarHBondContact O-OG 3.26Å; D420-G424 CarbonylContact O-C 3.55Å; D420-G424 WeakPolarHBondContact O-CA 3.38Å; D420-G424 PolarHBondContact O-N 2.95Å; D420-G424 VanDerWaalsContact O-N 3.08Å; D420-E425 HydrophobicContact CB-CB 4.32Å; D420-E425 PolarHBondContact O-N 2.69Å; D420-T426 PolarHBondContact O-N 3.36Å; D420-T426 VanDerWaalsContact O-N 3.09Å; D420-T426 WeakPolarHBondContact OD2-CB 3.42Å; D420-T426 PolarHBondContact OD2-OG1 2.56Å; D420-R442 VanDerWaalsContact CG-NH2 3.25Å; D420-R442 IonicContact OD1-CZ 3.44Å; D420-R442 IonicContact OD1-NH1 3.85Å; D420-R442 IonicContact OD1-NH2 2.67Å; D420-R442 PolarHBondContact OD1-NH2 3.28Å; D420-R442 IonicContact OD2-CZ 2.74Å; D420-R442 IonicContact OD2-NH1 3.14Å; D420-R442 PolarHBondContact OD2-NH1 3.28Å; D420-R442 IonicContact OD2-NH2 2.89Å; D420-R442 PolarHBondContact OD2-NH2 3.05Å |
| 421 | L | 92 | Very high | 84.3 | Confident | 3 Ų | 3 | 64.3 Ų | 64.3 | 2% | 0.016 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -74 | -35.2 | 175.8 | -67.9 | 106.5 | 0 | 0 | 0 | 111.7 | C418 S419 G424 W439 R442 D443 | C418-L421 HydrophobicContact CB-CD1 4.19Å; C418-L421 PolarHBondContact O-N 3.49Å; S419-L421 VanDerWaalsContact C-N 3.29Å; S419-L421 PolarHBondContact O-N 3.31Å; L421-G424 PolarHBondContact O-N 2.94Å; L421-W439 HydrophobicContact CD2-CD2 3.98Å; L421-W439 HydrophobicContact CD2-CG 4.1Å; L421-W439 HydrophobicContact CD2-CZ2 3.99Å; L421-R442 HydrophobicContact CD1-CB 3.61Å; L421-R442 HydrophobicContact CD2-CB 3.99Å; L421-D443 HydrophobicContact CD2-CB 3.87Å |
| 422 | V | 92.3 | Very high | 83.7 | Confident | 12 Ų | 12 | 74 Ų | 74 | 7% | 0.073 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -77.7 | -41.5 | -177.2 | -178.2 | 0 | 0 | 0 | 0 | 110.8 | L413 S419 G424 A446 I450 T472 | L413-V422 HydrophobicContact CD1-CB 4.25Å; L413-V422 HydrophobicContact CD1-CG1 4.24Å; L413-V422 HydrophobicContact CD1-CG2 3.85Å; L413-V422 HydrophobicContact CD2-CG2 4.02Å; S419-V422 PolarHBondContact O-N 2.89Å; V422-G424 PolarHBondContact O-N 3.28Å; V422-A446 HydrophobicContact CG2-CB 3.93Å; V422-I450 HydrophobicContact CG1-CD1 4.45Å; V422-I450 HydrophobicContact CG2-CD1 4.23Å; V422-T472 HydrophobicContact CG1-CG2 3.69Å; V422-T472 WeakPolarHBondContact CG1-OG1 3.28Å |
| 423 | S | 88.8 | Confident | 83.1 | Confident | 58 Ų | 58 | 77.7 Ų | 77.7 | 41% | 0.406 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -65.6 | -28.6 | 169.5 | 68.4 | 0 | 0 | 0 | 0 | 111.5 | S419 D420 E425 K469 | S419-S423 PolarHBondContact O-N 3.26Å; S419-S423 PolarHBondContact O-OG 2.79Å; D420-S423 PolarHBondContact O-OG 3.26Å; S423-E425 WeakPolarHBondContact OG-CG 3.24Å; S423-E425 PolarHBondContact OG-N 2.76Å; S423-E425 PolarHBondContact OG-OE1 3.14Å; S423-K469 PolarHBondContact O-NZ 3.43Å |
| 424 | G | 87.9 | Confident | 82.5 | Confident | 15 Ų | 15 | 84 Ų | 84 | 16% | 0.155 | 45% | 0.454 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.9 | 21.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | D420 L421 V422 | D420-G424 CarbonylContact O-C 3.55Å; D420-G424 WeakPolarHBondContact O-CA 3.38Å; D420-G424 PolarHBondContact O-N 2.95Å; D420-G424 VanDerWaalsContact O-N 3.08Å; L421-G424 PolarHBondContact O-N 2.94Å; V422-G424 PolarHBondContact O-N 3.28Å |
| 425 | E | 88.4 | Confident | 82.3 | Confident | 156 Ų | 156 | 85.3 Ų | 85.3 | 73% | 0.729 | 46% | 0.457 | S | S | * | . | S | Bend | trans | -57.8 | -40.8 | 163.2 | -73.8 | 164.7 | -139.5 | 0 | 0 | 110.7 | D420 S423 | D420-E425 HydrophobicContact CB-CB 4.32Å; D420-E425 PolarHBondContact O-N 2.69Å; S423-E425 WeakPolarHBondContact OG-CG 3.24Å; S423-E425 PolarHBondContact OG-N 2.76Å; S423-E425 PolarHBondContact OG-OE1 3.14Å |
| 426 | T | 87.4 | Confident | 83 | Confident | 49 Ų | 49 | 81.2 Ų | 81.2 | 30% | 0.301 | 43% | 0.432 | S | S | . | . | S | Bend | trans | -101 | 100.2 | 178.1 | -60.1 | 0 | 0 | 0 | 0 | 111.5 | D420 W439 | D420-T426 PolarHBondContact O-N 3.36Å; D420-T426 VanDerWaalsContact O-N 3.09Å; D420-T426 WeakPolarHBondContact OD2-CB 3.42Å; D420-T426 PolarHBondContact OD2-OG1 2.56Å; T426-W439 PolarHBondContact O-NE1 3.3Å |
| 427 | L | 87.7 | Confident | 83.2 | Confident | 137 Ų | 137 | 82.8 Ų | 82.8 | 72% | 0.717 | 44% | 0.442 | S | S | * | . | P | Polyproline II helix | trans | -75.6 | 151.1 | 174.4 | -64.4 | 173.2 | 0 | 0 | 0 | 112.4 | P429 | L427-P429 WeakPolarHBondContact O-CD 3.18Š|
| 428 | C | 84.1 | Confident | 83.1 | Confident | 56 Ų | 56 | 80 Ų | 80 | 38% | 0.378 | 44% | 0.435 | S | S | . | . | P | Polyproline II helix | trans | -61.7 | 124.7 | 173.3 | -167.1 | 0 | 0 | 0 | 0 | 109.7 | A430 W439 | C428-A430 PolarHBondContact O-N 3.32Å; C428-W439 HydrophobicContact CB-CD2 3.76Å; C428-W439 HydrophobicContact CB-CE3 3.81Å; C428-W439 HydrophobicContact CB-CG 4.48Å; C428-W439 HydrophobicContact CB-CH2 3.92Å; C428-W439 HydrophobicContact CB-CZ2 3.82Å; C428-W439 HydrophobicContact CB-CZ3 3.9Å |
| 429 | P | 83.8 | Confident | 83.2 | Confident | 49 Ų | 49 | 81.3 Ų | 81.3 | 32% | 0.318 | 44% | 0.439 | S | S | . | . | P | Polyproline II helix | trans | -59.7 | 137.6 | 178.3 | -22.9 | 32.6 | 0 | 0 | 0 | 111.8 | L427 V431 K435 V436 | L427-P429 WeakPolarHBondContact O-CD 3.18Å; P429-V431 VanDerWaalsContact C-N 3.31Å; P429-V431 PolarHBondContact O-N 2.92Å; P429-K435 HydrophobicContact CG-CB 4.14Å; P429-V436 HydrophobicContact CB-CG2 3.98Å; P429-V436 HydrophobicContact CG-CG2 4.43Å; P429-V436 VanDerWaalsContact O-CG2 3.23Å; P429-V436 WeakPolarHBondContact O-CG2 3.47Å |
| 430 | A | 79.4 | Confident | 83.2 | Confident | 109 Ų | 109 | 85.5 Ų | 85.5 | 90% | 0.901 | 45% | 0.453 | S | S | * | . | S | Bend | trans | -71.4 | -25.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | C428 | C428-A430 PolarHBondContact O-N 3.32Š|
| 431 | V | 79.2 | Confident | 82.6 | Confident | 95 Ų | 95 | 88.9 Ų | 88.9 | 58% | 0.576 | 47% | 0.467 | S | S | * | . | S | Bend | trans | -84.1 | 129.3 | -175.2 | -174.4 | 0 | 0 | 0 | 0 | 110.1 | P429 D433 V436 | P429-V431 VanDerWaalsContact C-N 3.31Å; P429-V431 PolarHBondContact O-N 2.92Å; V431-D433 VanDerWaalsContact C-N 3.32Å; V431-D433 HydrophobicContact CG1-CB 4.5Å; V431-D433 WeakPolarHBondContact CG1-OD2 3.35Å; V431-D433 PolarHBondContact O-N 3.21Å; V431-V436 WeakPolarHBondContact O-CG2 3.37Å |
| 432 | R | 66.8 | Low | 82.3 | Confident | 244 Ų | 244 | 92 Ų | 92 | 92% | 0.921 | 48% | 0.478 | S | S | * | . | trans | -66.7 | 89 | 171.9 | -95.7 | -173.8 | 172.2 | -173.1 | -1.2 | 110 | ||||
| 433 | D | 67.7 | Low | 82.3 | Confident | 102 Ų | 102 | 91.7 Ų | 91.7 | 55% | 0.545 | 48% | 0.476 | S | S | . | . | S | Bend | trans | -141.7 | 173.3 | 177.4 | -91.8 | -28.3 | 0 | 0 | 0 | 111.1 | V431 K435 V436 | V431-D433 VanDerWaalsContact C-N 3.32Å; V431-D433 HydrophobicContact CG1-CB 4.5Å; V431-D433 WeakPolarHBondContact CG1-OD2 3.35Å; V431-D433 PolarHBondContact O-N 3.21Å; D433-K435 PolarHBondContact O-N 3.38Å; D433-V436 WeakPolarHBondContact O-CB 3.11Å; D433-V436 PolarHBondContact O-N 2.87Å |
| 434 | D | 73.1 | Confident | 82.1 | Confident | 137 Ų | 137 | 90.8 Ų | 90.8 | 73% | 0.733 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -49.3 | -29.3 | 173.8 | -69 | -38 | 0 | 0 | 0 | 113.4 | V436 K437 A438 | D434-V436 VanDerWaalsContact C-N 3.33Å; D434-V436 PolarHBondContact O-N 2.84Å; D434-K437 WeakPolarHBondContact O-CB 3.48Å; D434-K437 PolarHBondContact O-N 3.41Å; D434-A438 PolarHBondContact O-N 2.85Å |
| 435 | K | 77.5 | Confident | 81.7 | Confident | 157 Ų | 157 | 92.8 Ų | 92.8 | 68% | 0.683 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -61.8 | -36.7 | 175.1 | -64.3 | -173.3 | 179.9 | -179.3 | 0 | 113 | P429 D433 W439 | P429-K435 HydrophobicContact CG-CB 4.14Å; D433-K435 PolarHBondContact O-N 3.38Å; K435-W439 VanDerWaalsContact O-CB 3.31Å; K435-W439 WeakPolarHBondContact O-CB 3.32Å; K435-W439 PolarHBondContact O-N 3.37Å |
| 436 | V | 83.6 | Confident | 81.6 | Confident | 21 Ų | 21 | 85.4 Ų | 85.4 | 13% | 0.127 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -69.4 | -38.9 | 175.8 | 173.9 | 0 | 0 | 0 | 0 | 110.5 | P429 V431 D433 D434 W439 K440 | P429-V436 HydrophobicContact CB-CG2 3.98Å; P429-V436 HydrophobicContact CG-CG2 4.43Å; P429-V436 VanDerWaalsContact O-CG2 3.23Å; P429-V436 WeakPolarHBondContact O-CG2 3.47Å; V431-V436 WeakPolarHBondContact O-CG2 3.37Å; D433-V436 WeakPolarHBondContact O-CB 3.11Å; D433-V436 PolarHBondContact O-N 2.87Å; D434-V436 VanDerWaalsContact C-N 3.33Å; D434-V436 PolarHBondContact O-N 2.84Å; V436-W439 PolarHBondContact O-N 3.15Å; V436-K440 HydrophobicContact CG1-CD 4.06Å; V436-K440 HydrophobicContact CG1-CG 4.28Å; V436-K440 WeakPolarHBondContact O-CB 3.47Å; V436-K440 VanDerWaalsContact O-CG 3.3Å; V436-K440 WeakPolarHBondContact O-CG 3.29Å; V436-K440 PolarHBondContact O-N 2.95Å |
| 437 | K | 79.8 | Confident | 81.7 | Confident | 162 Ų | 162 | 87 Ų | 87 | 70% | 0.704 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -64.6 | -44.3 | 176.9 | -167.3 | 177.4 | -179.7 | -179.3 | 0 | 110.8 | D434 K441 | D434-K437 WeakPolarHBondContact O-CB 3.48Å; D434-K437 PolarHBondContact O-N 3.41Å; K437-K441 WeakPolarHBondContact O-CB 3.34Å; K437-K441 PolarHBondContact O-N 3.25Å; K437-K441 VanDerWaalsContact O-N 3.07Å |
| 438 | A | 80 | Confident | 81.4 | Confident | 54 Ų | 54 | 81.7 Ų | 81.7 | 45% | 0.446 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -62.4 | -45.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | D434 K441 R442 | D434-A438 PolarHBondContact O-N 2.85Å; A438-K441 WeakPolarHBondContact O-CB 3.49Å; A438-K441 PolarHBondContact O-N 2.69Å; A438-R442 PolarHBondContact O-N 3.16Å |
| 439 | W | 87.6 | Confident | 81.3 | Confident | 30 Ų | 30 | 79.7 Ų | 79.7 | 11% | 0.114 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -60.1 | -50.2 | 176.5 | -176.2 | 95.8 | 0 | 0 | 0 | 111.6 | L421 T426 C428 K435 V436 K441 R442 D443 T467 | L421-W439 HydrophobicContact CD2-CD2 3.98Å; L421-W439 HydrophobicContact CD2-CG 4.1Å; L421-W439 HydrophobicContact CD2-CZ2 3.99Å; T426-W439 PolarHBondContact O-NE1 3.3Å; C428-W439 HydrophobicContact CB-CD2 3.76Å; C428-W439 HydrophobicContact CB-CE3 3.81Å; C428-W439 HydrophobicContact CB-CG 4.48Å; C428-W439 HydrophobicContact CB-CH2 3.92Å; C428-W439 HydrophobicContact CB-CZ2 3.82Å; C428-W439 HydrophobicContact CB-CZ3 3.9Å; K435-W439 VanDerWaalsContact O-CB 3.31Å; K435-W439 WeakPolarHBondContact O-CB 3.32Å; K435-W439 PolarHBondContact O-N 3.37Å; V436-W439 PolarHBondContact O-N 3.15Å; W439-K441 PolarHBondContact O-N 3.44Å; W439-R442 PolarHBondContact O-N 3.43Å; W439-R442 VanDerWaalsContact O-N 3.12Å; W439-D443 HydrophobicContact CE3-CB 4.18Å; W439-D443 HydrophobicContact CH2-CB 3.98Å; W439-D443 HydrophobicContact CZ2-CB 4.46Å; W439-D443 HydrophobicContact CZ3-CB 3.84Å; W439-D443 PolarHBondContact O-N 3.36Å; W439-T467 HydrophobicContact CH2-CG2 4.11Å |
| 440 | K | 87.3 | Confident | 81.6 | Confident | 125 Ų | 125 | 77.3 Ų | 77.3 | 54% | 0.543 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -59.8 | -31.1 | 178.9 | -77.7 | -177.9 | 177.3 | -177.2 | 0 | 112.3 | V436 A444 | V436-K440 HydrophobicContact CG1-CD 4.06Å; V436-K440 HydrophobicContact CG1-CG 4.28Å; V436-K440 WeakPolarHBondContact O-CB 3.47Å; V436-K440 VanDerWaalsContact O-CG 3.3Å; V436-K440 WeakPolarHBondContact O-CG 3.29Å; V436-K440 PolarHBondContact O-N 2.95Å; K440-A444 VanDerWaalsContact O-CB 3.29Å; K440-A444 WeakPolarHBondContact O-CB 3.36Å; K440-A444 PolarHBondContact O-N 3.42Å |
| 441 | K | 81.1 | Confident | 82 | Confident | 96 Ų | 96 | 73.6 Ų | 73.6 | 42% | 0.417 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -71.1 | -46.8 | 176.3 | -173.4 | 175.2 | -178.9 | 171.4 | 0 | 112 | K437 A438 W439 D443 A444 V445 | K437-K441 WeakPolarHBondContact O-CB 3.34Å; K437-K441 PolarHBondContact O-N 3.25Å; K437-K441 VanDerWaalsContact O-N 3.07Å; A438-K441 WeakPolarHBondContact O-CB 3.49Å; A438-K441 PolarHBondContact O-N 2.69Å; W439-K441 PolarHBondContact O-N 3.44Å; K441-D443 VanDerWaalsContact C-N 3.31Å; K441-D443 PolarHBondContact O-N 3.1Å; K441-A444 PolarHBondContact O-N 3.3Å; K441-V445 WeakPolarHBondContact O-CG2 3Å; K441-V445 PolarHBondContact O-N 3.37Å; K441-V445 VanDerWaalsContact O-N 3.07Å |
| 442 | R | 85.9 | Confident | 82.2 | Confident | 67 Ų | 67 | 73.8 Ų | 73.8 | 25% | 0.253 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -59.4 | -44.5 | 173.1 | -67.1 | 174.9 | 74.6 | -147.4 | 6 | 110.7 | D417 D420 L421 A438 W439 A444 V445 A446 | D417-R442 VanDerWaalsContact O-CZ 3.26Å; D417-R442 PolarHBondContact O-NE 3.36Å; D417-R442 PolarHBondContact O-NH2 3.44Å; D417-R442 IonicContact OD1-NH2 2.73Å; D417-R442 PolarHBondContact OD1-NH2 3.14Å; D417-R442 IonicContact OD2-NH2 3.58Å; D420-R442 VanDerWaalsContact CG-NH2 3.25Å; D420-R442 IonicContact OD1-CZ 3.44Å; D420-R442 IonicContact OD1-NH1 3.85Å; D420-R442 IonicContact OD1-NH2 2.67Å; D420-R442 PolarHBondContact OD1-NH2 3.28Å; D420-R442 IonicContact OD2-CZ 2.74Å; D420-R442 IonicContact OD2-NH1 3.14Å; D420-R442 PolarHBondContact OD2-NH1 3.28Å; D420-R442 IonicContact OD2-NH2 2.89Å; D420-R442 PolarHBondContact OD2-NH2 3.05Å; L421-R442 HydrophobicContact CD1-CB 3.61Å; L421-R442 HydrophobicContact CD2-CB 3.99Å; A438-R442 PolarHBondContact O-N 3.16Å; W439-R442 PolarHBondContact O-N 3.43Å; W439-R442 VanDerWaalsContact O-N 3.12Å; R442-A444 PolarHBondContact O-N 3.39Å; R442-V445 WeakPolarHBondContact O-CB 3.38Å; R442-V445 PolarHBondContact O-N 3.48Å; R442-V445 VanDerWaalsContact O-N 3.14Å; R442-A446 PolarHBondContact O-N 3.33Å |
| 443 | D | 90.6 | Very high | 83.2 | Confident | 6 Ų | 6 | 62.2 Ų | 62.2 | 3% | 0.032 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.6 | -40 | 176.8 | -178.6 | 72.6 | 0 | 0 | 0 | 112.3 | L421 W439 K441 V445 A446 R447 S468 | L421-D443 HydrophobicContact CD2-CB 3.87Å; W439-D443 HydrophobicContact CE3-CB 4.18Å; W439-D443 HydrophobicContact CH2-CB 3.98Å; W439-D443 HydrophobicContact CZ2-CB 4.46Å; W439-D443 HydrophobicContact CZ3-CB 3.84Å; W439-D443 PolarHBondContact O-N 3.36Å; K441-D443 VanDerWaalsContact C-N 3.31Å; K441-D443 PolarHBondContact O-N 3.1Å; D443-V445 VanDerWaalsContact C-N 3.33Å; D443-V445 PolarHBondContact O-N 2.95Å; D443-A446 PolarHBondContact O-N 2.71Å; D443-R447 WeakPolarHBondContact O-CB 3.42Å; D443-R447 VanDerWaalsContact O-CG 3.31Å; D443-R447 WeakPolarHBondContact O-CG 3.34Å; D443-R447 PolarHBondContact O-N 3.26Å; D443-R447 WeakPolarHBondContact OD2-CD 3.33Å; D443-R447 IonicContact OD2-CZ 3.37Å; D443-R447 IonicContact OD2-NE 2.8Å; D443-R447 PolarHBondContact OD2-NE 3.3Å; D443-R447 VanDerWaalsContact OD2-NE 3.14Å; D443-S468 VanDerWaalsContact OD1-CB 3.31Å; D443-S468 WeakPolarHBondContact OD1-CB 3.32Å; D443-S468 PolarHBondContact OD1-N 2.97Å; D443-S468 PolarHBondContact OD1-OG 2.8Å |
| 444 | A | 85.5 | Confident | 84.1 | Confident | 39 Ų | 39 | 57.4 Ų | 57.4 | 32% | 0.322 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62.4 | -38.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | K440 K441 R442 S448 | K440-A444 VanDerWaalsContact O-CB 3.29Å; K440-A444 WeakPolarHBondContact O-CB 3.36Å; K440-A444 PolarHBondContact O-N 3.42Å; K441-A444 PolarHBondContact O-N 3.3Å; R442-A444 PolarHBondContact O-N 3.39Å; A444-S448 VanDerWaalsContact O-CB 3.28Å; A444-S448 WeakPolarHBondContact O-CB 3.23Å; A444-S448 PolarHBondContact O-N 3.1Å |
| 445 | V | 79.3 | Confident | 84.8 | Confident | 58 Ų | 58 | 52.9 Ų | 52.9 | 35% | 0.352 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -62.1 | -49.9 | 173.7 | 171.9 | 0 | 0 | 0 | 0 | 110.2 | K441 R442 D443 S448 I449 | K441-V445 WeakPolarHBondContact O-CG2 3Å; K441-V445 PolarHBondContact O-N 3.37Å; K441-V445 VanDerWaalsContact O-N 3.07Å; R442-V445 WeakPolarHBondContact O-CB 3.38Å; R442-V445 PolarHBondContact O-N 3.48Å; R442-V445 VanDerWaalsContact O-N 3.14Å; D443-V445 VanDerWaalsContact C-N 3.33Å; D443-V445 PolarHBondContact O-N 2.95Å; V445-S448 PolarHBondContact O-N 2.78Å; V445-I449 HydrophobicContact CG1-CD1 3.89Å; V445-I449 WeakPolarHBondContact O-CG1 2.78Å; V445-I449 PolarHBondContact O-N 3.16Å |
| 446 | A | 86.5 | Confident | 85.1 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59 | -50.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L413 C418 V422 R442 D443 S448 I449 I450 S468 | L413-A446 HydrophobicContact CD2-CB 3.91Å; C418-A446 HydrophobicContact CB-CB 4.01Å; V422-A446 HydrophobicContact CG2-CB 3.93Å; R442-A446 PolarHBondContact O-N 3.33Å; D443-A446 PolarHBondContact O-N 2.71Å; A446-S448 PolarHBondContact O-N 2.73Å; A446-I449 WeakPolarHBondContact O-CB 3.45Å; A446-I449 PolarHBondContact O-N 3.05Å; A446-I449 VanDerWaalsContact O-N 3.13Å; A446-I450 WeakPolarHBondContact O-CG1 3.41Å; A446-I450 PolarHBondContact O-N 3.39Å; A446-S468 VanDerWaalsContact CB-CB 3.47Å |
| 447 | R | 89.2 | Confident | 85.3 | Confident | 82 Ų | 82 | 56.2 Ų | 56.2 | 31% | 0.309 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -55.2 | -41.1 | 175.7 | -74.1 | -174.3 | -58.3 | 157.8 | 13.9 | 111.8 | D443 I450 S451 K466 S468 M471 | D443-R447 WeakPolarHBondContact O-CB 3.42Å; D443-R447 VanDerWaalsContact O-CG 3.31Å; D443-R447 WeakPolarHBondContact O-CG 3.34Å; D443-R447 PolarHBondContact O-N 3.26Å; D443-R447 WeakPolarHBondContact OD2-CD 3.33Å; D443-R447 IonicContact OD2-CZ 3.37Å; D443-R447 IonicContact OD2-NE 2.8Å; D443-R447 PolarHBondContact OD2-NE 3.3Å; D443-R447 VanDerWaalsContact OD2-NE 3.14Å; R447-I450 PolarHBondContact O-N 2.7Å; R447-S451 VanDerWaalsContact O-CB 3.23Å; R447-S451 WeakPolarHBondContact O-CB 3.48Å; R447-S451 PolarHBondContact O-N 2.8Å; R447-K466 WeakPolarHBondContact CD-O 3.3Å; R447-K466 PolarHBondContact NH1-O 2.8Å; R447-S468 VanDerWaalsContact CG-CA 3.47Å; R447-S468 VanDerWaalsContact CG-N 3.26Å; R447-M471 HydrophobicContact CB-CE 4.05Å; R447-M471 HydrophobicContact CB-SD 3.77Å; R447-M471 HydrophobicContact CG-CE 3.99Å; R447-M471 HydrophobicContact CG-SD 3.74Å |
| 448 | S | 81.9 | Confident | 85.6 | Confident | 27 Ų | 27 | 48.8 Ų | 48.8 | 19% | 0.189 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -69.9 | -38.2 | -179 | -160 | 0 | 0 | 0 | 0 | 111.8 | R101 A444 V445 A446 R452 | R101-S448 PolarHBondContact NH2-OG 2.95Å; A444-S448 VanDerWaalsContact O-CB 3.28Å; A444-S448 WeakPolarHBondContact O-CB 3.23Å; A444-S448 PolarHBondContact O-N 3.1Å; V445-S448 PolarHBondContact O-N 2.78Å; A446-S448 PolarHBondContact O-N 2.73Å; S448-R452 VanDerWaalsContact C-NH2 3.26Å; S448-R452 WeakPolarHBondContact O-CB 3.08Å; S448-R452 WeakPolarHBondContact O-CG 3.35Å; S448-R452 PolarHBondContact O-N 3Å; S448-R452 PolarHBondContact O-NE 3.43Å; S448-R452 PolarHBondContact O-NH1 3.05Å; S448-R452 PolarHBondContact O-NH2 3.3Å; S448-R452 VanDerWaalsContact OG-CZ 3.23Å; S448-R452 PolarHBondContact OG-NE 3.1Å; S448-R452 PolarHBondContact OG-NH2 2.82Å |
| 449 | I | 82.4 | Confident | 86 | Confident | 13 Ų | 13 | 48.6 Ų | 48.6 | 7% | 0.067 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.5 | -52.3 | 172.7 | -69.3 | 158.8 | 0 | 0 | 0 | 110.2 | I409 I412 L413 R416 V445 A446 R452 S453 | I409-I449 HydrophobicContact CD1-CG2 4.07Å; I412-I449 HydrophobicContact CB-CG2 4.43Å; I412-I449 HydrophobicContact CG2-CD1 4.08Å; I412-I449 HydrophobicContact CG2-CG1 4.24Å; I412-I449 HydrophobicContact CG2-CG2 3.73Å; L413-I449 HydrophobicContact CD2-CB 4.36Å; L413-I449 HydrophobicContact CD2-CD1 4.02Å; L413-I449 HydrophobicContact CD2-CG2 4.27Å; L413-I449 HydrophobicContact CG-CG2 4.49Å; R416-I449 HydrophobicContact CB-CD1 4.19Å; R416-I449 HydrophobicContact CG-CD1 4.03Å; V445-I449 HydrophobicContact CG1-CD1 3.89Å; V445-I449 WeakPolarHBondContact O-CG1 2.78Å; V445-I449 PolarHBondContact O-N 3.16Å; A446-I449 WeakPolarHBondContact O-CB 3.45Å; A446-I449 PolarHBondContact O-N 3.05Å; A446-I449 VanDerWaalsContact O-N 3.13Å; I449-R452 PolarHBondContact O-N 3.41Å; I449-S453 PolarHBondContact O-N 3.24Å |
| 450 | I | 89.2 | Confident | 86.1 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.9 | -53.9 | -178.5 | -63.2 | 158.6 | 0 | 0 | 0 | 110.4 | I409 V422 A446 R447 R452 S453 L454 M471 T472 I475 | I409-I450 HydrophobicContact CG2-CG1 4.48Å; V422-I450 HydrophobicContact CG1-CD1 4.45Å; V422-I450 HydrophobicContact CG2-CD1 4.23Å; A446-I450 WeakPolarHBondContact O-CG1 3.41Å; A446-I450 PolarHBondContact O-N 3.39Å; R447-I450 PolarHBondContact O-N 2.7Å; I450-R452 PolarHBondContact O-N 2.97Å; I450-R452 VanDerWaalsContact O-N 3.16Å; I450-S453 PolarHBondContact O-N 3.38Å; I450-S453 PolarHBondContact O-OG 2.91Å; I450-L454 HydrophobicContact CG2-CD1 4.5Å; I450-L454 WeakPolarHBondContact O-CG 3.48Å; I450-M471 HydrophobicContact CD1-CB 4.46Å; I450-M471 HydrophobicContact CG2-CB 4.06Å; I450-T472 VanDerWaalsContact CD1-OG1 3.24Å; I450-T472 WeakPolarHBondContact CD1-OG1 3.38Å; I450-I475 HydrophobicContact CG2-CD1 3.51Å |
| 451 | S | 87.7 | Confident | 86.1 | Confident | 30 Ų | 30 | 47.4 Ų | 47.4 | 21% | 0.21 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -55.6 | -37.9 | -177.5 | 160.1 | 0 | 0 | 0 | 0 | 113.1 | R447 S453 H459 | R447-S451 VanDerWaalsContact O-CB 3.23Å; R447-S451 WeakPolarHBondContact O-CB 3.48Å; R447-S451 PolarHBondContact O-N 2.8Å; S451-S453 VanDerWaalsContact C-N 3.34Å; S451-H459 PolarHBondContact O-CD2 2.64Å; S451-H459 PolarHBondContact OG-NE2 2.94Å |
| 452 | R | 83.2 | Confident | 86.5 | Confident | 100 Ų | 100 | 42.9 Ų | 42.9 | 38% | 0.377 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -78.4 | -17.5 | -179 | -75 | -179 | -91.6 | 103.4 | -12.5 | 114.2 | R101 S448 I449 I450 L454 | R101-R452 VanDerWaalsContact NH1-CZ 3.32Å; S448-R452 VanDerWaalsContact C-NH2 3.26Å; S448-R452 WeakPolarHBondContact O-CB 3.08Å; S448-R452 WeakPolarHBondContact O-CG 3.35Å; S448-R452 PolarHBondContact O-N 3Å; S448-R452 PolarHBondContact O-NE 3.43Å; S448-R452 PolarHBondContact O-NH1 3.05Å; S448-R452 PolarHBondContact O-NH2 3.3Å; S448-R452 VanDerWaalsContact OG-CZ 3.23Å; S448-R452 PolarHBondContact OG-NE 3.1Å; S448-R452 PolarHBondContact OG-NH2 2.82Å; I449-R452 PolarHBondContact O-N 3.41Å; I450-R452 PolarHBondContact O-N 2.97Å; I450-R452 VanDerWaalsContact O-N 3.16Å; R452-L454 VanDerWaalsContact C-N 3.3Å |
| 453 | S | 87.9 | Confident | 86.7 | Confident | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.007 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | 7.9 | 178.4 | 72.2 | 0 | 0 | 0 | 0 | 112.8 | R396 L397 W405 I409 I449 I450 S451 | R396-S453 CarbonylContact C-O 3.4Å; R396-S453 VanDerWaalsContact CA-O 3.26Å; R396-S453 WeakPolarHBondContact CA-O 3.42Å; L397-S453 PolarHBondContact N-O 3.37Å; W405-S453 WeakPolarHBondContact CZ2-OG 3.35Å; W405-S453 VanDerWaalsContact NE1-CB 3.33Å; W405-S453 PolarHBondContact NE1-O 3.38Å; W405-S453 PolarHBondContact NE1-OG 3.44Å; I409-S453 VanDerWaalsContact CD1-OG 3.25Å; I409-S453 WeakPolarHBondContact CD1-OG 3.5Å; I449-S453 PolarHBondContact O-N 3.24Å; I450-S453 PolarHBondContact O-N 3.38Å; I450-S453 PolarHBondContact O-OG 2.91Å; S451-S453 VanDerWaalsContact C-N 3.34Å |
| 454 | L | 87.3 | Confident | 86.7 | Confident | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | B | Isolated β-bridge | trans | -104.3 | 147.4 | -179.9 | -57.9 | 178.6 | 0 | 0 | 0 | 111.6 | R396 L397 W405 I450 R452 H458 H459 I462 I475 | R396-L454 WeakPolarHBondContact CD-O 3.3Å; L397-L454 HydrophobicContact CB-CD2 3.7Å; L397-L454 HydrophobicContact CD2-CD2 3.64Å; L397-L454 HydrophobicContact CG-CD2 4.3Å; W405-L454 HydrophobicContact CH2-CD2 4.39Å; W405-L454 HydrophobicContact CZ2-CD2 3.63Å; I450-L454 HydrophobicContact CG2-CD1 4.5Å; I450-L454 WeakPolarHBondContact O-CG 3.48Å; R452-L454 VanDerWaalsContact C-N 3.3Å; L454-H458 HydrophobicContact CB-CB 4.19Å; L454-H458 HydrophobicContact CD1-CB 4.33Å; L454-H458 HydrophobicContact CD2-CB 4.08Å; L454-H458 HydrophobicContact CG-CB 4.41Å; L454-H459 HydrophobicContact CB-CB 4.17Å; L454-I462 HydrophobicContact CD1-CD1 3.5Å; L454-I462 VanDerWaalsContact CD1-CD1 3.5Å; L454-I462 HydrophobicContact CD1-CG1 3.9Å; L454-I462 HydrophobicContact CD1-CG2 4.35Å; L454-I475 HydrophobicContact CD1-CD1 3.9Å; L454-I475 HydrophobicContact CD1-CG1 4.42Å; L454-I475 HydrophobicContact CD2-CD1 3.93Å; L454-I475 HydrophobicContact CD2-CG1 4.45Å; L454-I475 HydrophobicContact CG-CD1 4.48Å |
| 455 | D | 86.4 | Confident | 87 | Confident | 41 Ų | 41 | 51.2 Ų | 51.2 | 22% | 0.219 | 26% | 0.257 | C | S | . | . | trans | -67.9 | 170.9 | 158.8 | 70.3 | 12.4 | 0 | 0 | 0 | 111.2 | L397 F457 H458 H459 | L397-D455 VanDerWaalsContact O-CB 3.25Å; L397-D455 WeakPolarHBondContact O-CB 3.26Å; L397-D455 PolarHBondContact O-N 2.81Å; L397-D455 VanDerWaalsContact O-OD2 3.07Å; D455-F457 PolarHBondContact O-N 3.28Å; D455-F457 PolarHBondContact OD1-N 3.46Å; D455-H458 VanDerWaalsContact CG-ND1 3.26Å; D455-H458 PolarHBondContact O-N 3.02Å; D455-H458 WeakPolarHBondContact OD1-CB 3.4Å; D455-H458 IonicContact OD1-CE1 3.2Å; D455-H458 IonicContact OD1-CG 3.76Å; D455-H458 PolarHBondContact OD1-N 3.24Å; D455-H458 IonicContact OD1-ND1 3.45Å; D455-H458 PolarHBondContact OD1-ND1 3.44Å; D455-H458 IonicContact OD2-CE1 3.05Å; D455-H458 IonicContact OD2-ND1 2.75Å; D455-H458 PolarHBondContact OD2-ND1 2.8Å; D455-H459 WeakPolarHBondContact O-CB 3.38Å; D455-H459 PolarHBondContact O-N 3.34Å | ||
| 456 | D | 85.6 | Confident | 87.6 | Confident | 122 Ų | 122 | 56 Ų | 56 | 65% | 0.652 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -63.8 | -29.6 | -177.4 | -65.9 | -25.4 | 0 | 0 | 0 | 112.9 | A460 | D456-A460 PolarHBondContact O-N 2.92Å |
| 457 | F | 86.1 | Confident | 88 | Confident | 126 Ų | 126 | 57.6 Ų | 57.6 | 55% | 0.553 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -67 | -56.4 | 179.1 | 175.7 | -97.8 | 0 | 0 | 0 | 110.9 | D455 H459 A460 F461 | D455-F457 PolarHBondContact O-N 3.28Å; D455-F457 PolarHBondContact OD1-N 3.46Å; F457-H459 VanDerWaalsContact C-N 3.31Å; F457-H459 PolarHBondContact O-N 3.18Å; F457-A460 WeakPolarHBondContact O-CB 3.13Å; F457-A460 PolarHBondContact O-N 3.14Å; F457-F461 HydrophobicContact CD1-CE2 4.02Å; F457-F461 HydrophobicContact CD2-CE2 4.32Å; F457-F461 AromaticContact CE1-CE2 3.64Å; F457-F461 HydrophobicContact CE1-CE2 3.64Å; F457-F461 HydrophobicContact CE1-CZ 4.19Å; F457-F461 AromaticContact CE2-CE2 3.97Å; F457-F461 HydrophobicContact CE2-CE2 3.97Å; F457-F461 HydrophobicContact CE2-CZ 4.15Å; F457-F461 HydrophobicContact CG-CE2 4.35Å; F457-F461 AromaticContact CZ-CE2 3.61Å; F457-F461 HydrophobicContact CZ-CE2 3.61Å; F457-F461 AromaticContact CZ-CZ 3.77Å; F457-F461 HydrophobicContact CZ-CZ 3.77Å; F457-F461 WeakPolarHBondContact O-CD2 3.42Å; F457-F461 VanDerWaalsContact O-CE2 3.29Å; F457-F461 WeakPolarHBondContact O-CE2 3.32Å |
| 458 | H | 87.1 | Confident | 88.2 | Confident | 6 Ų | 6 | 53.7 Ų | 53.7 | 3% | 0.028 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -67.3 | -34.9 | 179.5 | -62.2 | 92 | 0 | 0 | 0 | 111.3 | L397 L454 D455 A460 F461 K479 | L397-H458 HydrophobicContact CD2-CB 4.19Å; L454-H458 HydrophobicContact CB-CB 4.19Å; L454-H458 HydrophobicContact CD1-CB 4.33Å; L454-H458 HydrophobicContact CD2-CB 4.08Å; L454-H458 HydrophobicContact CG-CB 4.41Å; D455-H458 VanDerWaalsContact CG-ND1 3.26Å; D455-H458 PolarHBondContact O-N 3.02Å; D455-H458 WeakPolarHBondContact OD1-CB 3.4Å; D455-H458 IonicContact OD1-CE1 3.2Å; D455-H458 IonicContact OD1-CG 3.76Å; D455-H458 PolarHBondContact OD1-N 3.24Å; D455-H458 IonicContact OD1-ND1 3.45Å; D455-H458 PolarHBondContact OD1-ND1 3.44Å; D455-H458 IonicContact OD2-CE1 3.05Å; D455-H458 IonicContact OD2-ND1 2.75Å; D455-H458 PolarHBondContact OD2-ND1 2.8Å; H458-A460 PolarHBondContact O-N 2.68Å; H458-F461 PolarHBondContact O-N 3.02Å; H458-K479 PolarHBondContact CE1-NZ 2.94Å; H458-K479 VanDerWaalsContact CE1-NZ 3.32Å; H458-K479 WeakPolarHBondContact NE2-CE 3.2Å; H458-K479 PolarHBondContact NE2-NZ 3.41Å |
| 459 | H | 89.1 | Confident | 88.8 | Confident | 51 Ų | 51 | 55.7 Ų | 55.7 | 24% | 0.236 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -58.2 | -34 | 175.4 | -169.2 | -52.6 | 0 | 0 | 0 | 111.7 | S451 L454 D455 F457 F461 I462 R463 | S451-H459 PolarHBondContact O-CD2 2.64Å; S451-H459 PolarHBondContact OG-NE2 2.94Å; L454-H459 HydrophobicContact CB-CB 4.17Å; D455-H459 WeakPolarHBondContact O-CB 3.38Å; D455-H459 PolarHBondContact O-N 3.34Å; F457-H459 VanDerWaalsContact C-N 3.31Å; F457-H459 PolarHBondContact O-N 3.18Å; H459-F461 PolarHBondContact O-N 3.3Å; H459-I462 VanDerWaalsContact O-CG1 3.24Å; H459-I462 WeakPolarHBondContact O-CG1 3.47Å; H459-I462 PolarHBondContact O-N 3.48Å; H459-R463 WeakPolarHBondContact O-CG 3.33Å |
| 460 | A | 88.1 | Confident | 89.4 | Confident | 44 Ų | 44 | 58.8 Ų | 58.8 | 36% | 0.364 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -59.5 | -34.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | D456 F457 H458 I462 | D456-A460 PolarHBondContact O-N 2.92Å; F457-A460 WeakPolarHBondContact O-CB 3.13Å; F457-A460 PolarHBondContact O-N 3.14Å; H458-A460 PolarHBondContact O-N 2.68Å; A460-I462 PolarHBondContact O-N 2.92Å |
| 461 | F | 87.8 | Confident | 89.7 | Confident | 85 Ų | 85 | 59.7 Ų | 59.7 | 37% | 0.373 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -75.1 | -23.1 | -176.8 | -63.7 | -88.8 | 0 | 0 | 0 | 113.8 | F457 H458 H459 I474 I478 | F457-F461 HydrophobicContact CD1-CE2 4.02Å; F457-F461 HydrophobicContact CD2-CE2 4.32Å; F457-F461 AromaticContact CE1-CE2 3.64Å; F457-F461 HydrophobicContact CE1-CE2 3.64Å; F457-F461 HydrophobicContact CE1-CZ 4.19Å; F457-F461 AromaticContact CE2-CE2 3.97Å; F457-F461 HydrophobicContact CE2-CE2 3.97Å; F457-F461 HydrophobicContact CE2-CZ 4.15Å; F457-F461 HydrophobicContact CG-CE2 4.35Å; F457-F461 AromaticContact CZ-CE2 3.61Å; F457-F461 HydrophobicContact CZ-CE2 3.61Å; F457-F461 AromaticContact CZ-CZ 3.77Å; F457-F461 HydrophobicContact CZ-CZ 3.77Å; F457-F461 WeakPolarHBondContact O-CD2 3.42Å; F457-F461 VanDerWaalsContact O-CE2 3.29Å; F457-F461 WeakPolarHBondContact O-CE2 3.32Å; H458-F461 PolarHBondContact O-N 3.02Å; H459-F461 PolarHBondContact O-N 3.3Å; F461-I474 HydrophobicContact CB-CG2 3.8Å; F461-I478 HydrophobicContact CB-CD1 3.54Å; F461-I478 HydrophobicContact CD1-CD1 3.64Å; F461-I478 HydrophobicContact CD2-CD1 3.77Å; F461-I478 HydrophobicContact CE1-CD1 4.25Å; F461-I478 HydrophobicContact CE2-CD1 4.37Å; F461-I478 HydrophobicContact CG-CD1 3.35Å |
| 462 | I | 90.4 | Very high | 89.9 | Confident | 2 Ų | 2 | 59.3 Ų | 59.3 | 1% | 0.01 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | -1 | -176.2 | 65.1 | 151.2 | 0 | 0 | 0 | 113.7 | L454 H459 A460 S464 C465 M471 I474 I475 | L454-I462 HydrophobicContact CD1-CD1 3.5Å; L454-I462 VanDerWaalsContact CD1-CD1 3.5Å; L454-I462 HydrophobicContact CD1-CG1 3.9Å; L454-I462 HydrophobicContact CD1-CG2 4.35Å; H459-I462 VanDerWaalsContact O-CG1 3.24Å; H459-I462 WeakPolarHBondContact O-CG1 3.47Å; H459-I462 PolarHBondContact O-N 3.48Å; A460-I462 PolarHBondContact O-N 2.92Å; I462-S464 PolarHBondContact O-N 3.48Å; I462-C465 VanDerWaalsContact O-CB 3.29Å; I462-C465 WeakPolarHBondContact O-CB 2.86Å; I462-C465 PolarHBondContact O-N 3.48Å; I462-M471 HydrophobicContact CB-CB 4.24Å; I462-M471 HydrophobicContact CB-CG 4.03Å; I462-M471 HydrophobicContact CD1-CB 4.49Å; I462-M471 HydrophobicContact CD1-CE 4.2Å; I462-M471 HydrophobicContact CD1-CG 4.21Å; I462-M471 HydrophobicContact CD1-SD 3.85Å; I462-M471 HydrophobicContact CG2-CB 4.1Å; I462-M471 HydrophobicContact CG2-CG 4.44Å; I462-I474 HydrophobicContact CG2-CG2 4.39Å; I462-I475 HydrophobicContact CG2-CD1 4.12Å; I462-I475 HydrophobicContact CG2-CG1 3.93Å |
| 463 | R | 89.4 | Confident | 90.3 | Very high | 174 Ų | 174 | 58.3 Ų | 58.3 | 66% | 0.657 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -28.5 | -174.1 | -69.5 | -178.3 | -179.4 | 143.3 | 2.4 | 113.5 | H459 | H459-R463 WeakPolarHBondContact O-CG 3.33Š|
| 464 | S | 90.4 | Very high | 90.5 | Very high | 99 Ų | 99 | 60.9 Ų | 60.9 | 69% | 0.692 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | -9.3 | 177.2 | 53.7 | 0 | 0 | 0 | 0 | 113.7 | I462 | I462-S464 PolarHBondContact O-N 3.48Š|
| 465 | C | 93 | Very high | 90.6 | Very high | 13 Ų | 13 | 60.9 Ų | 60.9 | 9% | 0.088 | 30% | 0.303 | C | S | . | . | trans | -68.3 | 135.9 | -178.5 | -61.9 | 0 | 0 | 0 | 0 | 111 | I462 E470 M471 I474 | I462-C465 VanDerWaalsContact O-CB 3.29Å; I462-C465 WeakPolarHBondContact O-CB 2.86Å; I462-C465 PolarHBondContact O-N 3.48Å; C465-E470 WeakPolarHBondContact CA-OE2 3.49Å; C465-E470 HydrophobicContact CB-CB 3.84Å; C465-M471 HydrophobicContact CB-CB 4.44Å; C465-M471 HydrophobicContact CB-CE 4.24Å; C465-M471 HydrophobicContact CB-CG 3.49Å; C465-M471 VanDerWaalsContact CB-CG 3.49Å; C465-I474 WeakPolarHBondContact SG-CD1 3.49Å | ||
| 466 | K | 91.3 | Very high | 90.6 | Very high | 160 Ų | 160 | 61.1 Ų | 61.1 | 70% | 0.696 | 30% | 0.304 | S | S | * | . | trans | -93.2 | -31.6 | 178.4 | -64.3 | -179.9 | -176.8 | 173.6 | 0 | 111.7 | R447 E470 | R447-K466 WeakPolarHBondContact CD-O 3.3Å; R447-K466 PolarHBondContact NH1-O 2.8Å; K466-E470 PolarHBondContact N-OE2 3.3Å | ||
| 467 | T | 93.9 | Very high | 90.6 | Very high | 33 Ų | 33 | 57.6 Ų | 57.6 | 20% | 0.202 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -119.8 | 156.4 | -176.1 | 66 | 0 | 0 | 0 | 0 | 111.7 | W439 K469 E470 M471 | W439-T467 HydrophobicContact CH2-CG2 4.11Å; T467-K469 VanDerWaalsContact C-N 3.27Å; T467-K469 PolarHBondContact O-N 2.85Å; T467-E470 PolarHBondContact O-N 3.23Å; T467-E470 WeakPolarHBondContact OG1-CB 3.48Å; T467-E470 VanDerWaalsContact OG1-CG 3.25Å; T467-E470 WeakPolarHBondContact OG1-CG 3.45Å; T467-E470 PolarHBondContact OG1-N 2.87Å; T467-E470 VanDerWaalsContact OG1-N 3.15Å; T467-M471 WeakPolarHBondContact O-CG 3.47Å; T467-M471 PolarHBondContact O-N 2.85Å; T467-M471 VanDerWaalsContact O-N 3.15Å |
| 468 | S | 93.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.8 | -36.9 | 174.5 | 54.4 | 0 | 0 | 0 | 0 | 112.1 | D443 A446 R447 M471 T472 | D443-S468 VanDerWaalsContact OD1-CB 3.31Å; D443-S468 WeakPolarHBondContact OD1-CB 3.32Å; D443-S468 PolarHBondContact OD1-N 2.97Å; D443-S468 PolarHBondContact OD1-OG 2.8Å; A446-S468 VanDerWaalsContact CB-CB 3.47Å; R447-S468 VanDerWaalsContact CG-CA 3.47Å; R447-S468 VanDerWaalsContact CG-N 3.26Å; S468-M471 WeakPolarHBondContact O-CB 3.39Å; S468-M471 PolarHBondContact O-N 2.7Å; S468-T472 PolarHBondContact O-N 3.11Å; S468-T472 PolarHBondContact O-OG1 3.38Å |
| 469 | K | 94.9 | Very high | 90.1 | Very high | 69 Ų | 69 | 54.3 Ų | 54.3 | 30% | 0.3 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -56.6 | -51.4 | 171.2 | 178 | 160.2 | -177.5 | 147.6 | 0 | 112.3 | S423 T467 M471 T472 D473 | S423-K469 PolarHBondContact O-NZ 3.43Å; T467-K469 VanDerWaalsContact C-N 3.27Å; T467-K469 PolarHBondContact O-N 2.85Å; K469-M471 VanDerWaalsContact C-N 3.26Å; K469-M471 PolarHBondContact O-N 3.11Å; K469-T472 PolarHBondContact O-N 3.14Å; K469-T472 VanDerWaalsContact O-N 3.13Å; K469-D473 WeakPolarHBondContact CG-OD2 3.29Å; K469-D473 WeakPolarHBondContact O-CB 3.15Å; K469-D473 VanDerWaalsContact O-CG 3.29Å; K469-D473 PolarHBondContact O-N 3.08Å |
| 470 | E | 94.9 | Very high | 89.5 | Confident | 78 Ų | 78 | 56.4 Ų | 56.4 | 36% | 0.364 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -58.3 | -37.9 | 176.5 | -75.8 | 165.6 | -152.9 | 0 | 0 | 112.3 | C465 K466 T467 I474 | C465-E470 WeakPolarHBondContact CA-OE2 3.49Å; C465-E470 HydrophobicContact CB-CB 3.84Å; K466-E470 PolarHBondContact N-OE2 3.3Å; T467-E470 PolarHBondContact O-N 3.23Å; T467-E470 WeakPolarHBondContact OG1-CB 3.48Å; T467-E470 VanDerWaalsContact OG1-CG 3.25Å; T467-E470 WeakPolarHBondContact OG1-CG 3.45Å; T467-E470 PolarHBondContact OG1-N 2.87Å; T467-E470 VanDerWaalsContact OG1-N 3.15Å; E470-I474 WeakPolarHBondContact O-CB 3.31Å; E470-I474 WeakPolarHBondContact O-CG1 3.46Å; E470-I474 PolarHBondContact O-N 2.93Å; E470-I474 VanDerWaalsContact O-N 3.13Å |
| 471 | M | 94.7 | Very high | 88.4 | Confident | 19 Ų | 19 | 60 Ų | 60 | 9% | 0.094 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.7 | -49.6 | 175.5 | -63.2 | -175.5 | 167 | 0 | 0 | 111 | R447 I450 I462 C465 T467 S468 K469 I474 I475 | R447-M471 HydrophobicContact CB-CE 4.05Å; R447-M471 HydrophobicContact CB-SD 3.77Å; R447-M471 HydrophobicContact CG-CE 3.99Å; R447-M471 HydrophobicContact CG-SD 3.74Å; I450-M471 HydrophobicContact CD1-CB 4.46Å; I450-M471 HydrophobicContact CG2-CB 4.06Å; I462-M471 HydrophobicContact CB-CB 4.24Å; I462-M471 HydrophobicContact CB-CG 4.03Å; I462-M471 HydrophobicContact CD1-CB 4.49Å; I462-M471 HydrophobicContact CD1-CE 4.2Å; I462-M471 HydrophobicContact CD1-CG 4.21Å; I462-M471 HydrophobicContact CD1-SD 3.85Å; I462-M471 HydrophobicContact CG2-CB 4.1Å; I462-M471 HydrophobicContact CG2-CG 4.44Å; C465-M471 HydrophobicContact CB-CB 4.44Å; C465-M471 HydrophobicContact CB-CE 4.24Å; C465-M471 HydrophobicContact CB-CG 3.49Å; C465-M471 VanDerWaalsContact CB-CG 3.49Å; T467-M471 WeakPolarHBondContact O-CG 3.47Å; T467-M471 PolarHBondContact O-N 2.85Å; T467-M471 VanDerWaalsContact O-N 3.15Å; S468-M471 WeakPolarHBondContact O-CB 3.39Å; S468-M471 PolarHBondContact O-N 2.7Å; K469-M471 VanDerWaalsContact C-N 3.26Å; K469-M471 PolarHBondContact O-N 3.11Å; M471-I474 PolarHBondContact O-N 2.93Å; M471-I475 VanDerWaalsContact O-CD1 3.28Å; M471-I475 WeakPolarHBondContact O-CD1 3.17Å; M471-I475 VanDerWaalsContact O-CG1 3.23Å; M471-I475 WeakPolarHBondContact O-CG1 3.14Å; M471-I475 PolarHBondContact O-N 3.47Å; M471-I475 VanDerWaalsContact O-N 3.1Å |
| 472 | T | 92.3 | Very high | 87.4 | Confident | 21 Ų | 21 | 58 Ų | 58 | 13% | 0.129 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -66 | -44.1 | -179.3 | -62.6 | 0 | 0 | 0 | 0 | 112.1 | V422 I450 S468 K469 I474 I475 I476 | V422-T472 HydrophobicContact CG1-CG2 3.69Å; V422-T472 WeakPolarHBondContact CG1-OG1 3.28Å; I450-T472 VanDerWaalsContact CD1-OG1 3.24Å; I450-T472 WeakPolarHBondContact CD1-OG1 3.38Å; S468-T472 PolarHBondContact O-N 3.11Å; S468-T472 PolarHBondContact O-OG1 3.38Å; K469-T472 PolarHBondContact O-N 3.14Å; K469-T472 VanDerWaalsContact O-N 3.13Å; T472-I474 VanDerWaalsContact C-N 3.3Å; T472-I474 PolarHBondContact O-N 3.37Å; T472-I475 PolarHBondContact O-N 2.92Å; T472-I475 VanDerWaalsContact O-N 3.14Å; T472-I476 HydrophobicContact CG2-CD1 3.62Å; T472-I476 HydrophobicContact CG2-CG1 4.11Å; T472-I476 WeakPolarHBondContact O-CB 3.5Å; T472-I476 VanDerWaalsContact O-CG1 3.27Å; T472-I476 WeakPolarHBondContact O-CG1 3.34Å; T472-I476 PolarHBondContact O-N 3.16Å |
| 473 | D | 92.3 | Very high | 86.4 | Confident | 79 Ų | 79 | 60.7 Ų | 60.7 | 42% | 0.422 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -59.4 | -41.5 | 178.4 | -71.9 | -17 | 0 | 0 | 0 | 111.3 | K469 S477 | K469-D473 WeakPolarHBondContact CG-OD2 3.29Å; K469-D473 WeakPolarHBondContact O-CB 3.15Å; K469-D473 VanDerWaalsContact O-CG 3.29Å; K469-D473 PolarHBondContact O-N 3.08Å; D473-S477 VanDerWaalsContact O-CB 3.26Å; D473-S477 WeakPolarHBondContact O-CB 3.46Å; D473-S477 PolarHBondContact O-N 3.02Å |
| 474 | I | 91.1 | Very high | 85.5 | Confident | 55 Ų | 55 | 57 Ų | 57 | 28% | 0.282 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -65 | -44.7 | 175.2 | -72.3 | -174.2 | 0 | 0 | 0 | 111.4 | F461 I462 C465 E470 M471 T472 S477 I478 | F461-I474 HydrophobicContact CB-CG2 3.8Å; I462-I474 HydrophobicContact CG2-CG2 4.39Å; C465-I474 WeakPolarHBondContact SG-CD1 3.49Å; E470-I474 WeakPolarHBondContact O-CB 3.31Å; E470-I474 WeakPolarHBondContact O-CG1 3.46Å; E470-I474 PolarHBondContact O-N 2.93Å; E470-I474 VanDerWaalsContact O-N 3.13Å; M471-I474 PolarHBondContact O-N 2.93Å; T472-I474 VanDerWaalsContact C-N 3.3Å; T472-I474 PolarHBondContact O-N 3.37Å; I474-S477 PolarHBondContact O-N 3.24Å; I474-I478 HydrophobicContact CG2-CD1 3.69Å; I474-I478 HydrophobicContact CG2-CG1 4.41Å; I474-I478 VanDerWaalsContact O-CG1 3.26Å; I474-I478 WeakPolarHBondContact O-CG1 3.2Å; I474-I478 PolarHBondContact O-N 2.97Å |
| 475 | I | 90.1 | Very high | 84.4 | Confident | 2 Ų | 2 | 55.7 Ų | 55.7 | 1% | 0.01 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.3 | -45.9 | 179.7 | -65.4 | 156.9 | 0 | 0 | 0 | 110.7 | L397 Y402 W405 I450 L454 I462 M471 T472 S477 I478 K479 | L397-I475 HydrophobicContact CD2-CG2 3.61Å; Y402-I475 HydrophobicContact CE2-CG2 4.37Å; W405-I475 HydrophobicContact CH2-CD1 3.92Å; W405-I475 HydrophobicContact CH2-CG2 3.8Å; W405-I475 HydrophobicContact CZ2-CD1 4.33Å; W405-I475 HydrophobicContact CZ3-CG2 3.81Å; I450-I475 HydrophobicContact CG2-CD1 3.51Å; L454-I475 HydrophobicContact CD1-CD1 3.9Å; L454-I475 HydrophobicContact CD1-CG1 4.42Å; L454-I475 HydrophobicContact CD2-CD1 3.93Å; L454-I475 HydrophobicContact CD2-CG1 4.45Å; L454-I475 HydrophobicContact CG-CD1 4.48Å; I462-I475 HydrophobicContact CG2-CD1 4.12Å; I462-I475 HydrophobicContact CG2-CG1 3.93Å; M471-I475 VanDerWaalsContact O-CD1 3.28Å; M471-I475 WeakPolarHBondContact O-CD1 3.17Å; M471-I475 VanDerWaalsContact O-CG1 3.23Å; M471-I475 WeakPolarHBondContact O-CG1 3.14Å; M471-I475 PolarHBondContact O-N 3.47Å; M471-I475 VanDerWaalsContact O-N 3.1Å; T472-I475 PolarHBondContact O-N 2.92Å; T472-I475 VanDerWaalsContact O-N 3.14Å; I475-S477 VanDerWaalsContact C-N 3.35Å; I475-I478 PolarHBondContact O-N 2.79Å; I475-K479 WeakPolarHBondContact O-CG 3.4Å; I475-K479 PolarHBondContact O-N 3.29Å |
| 476 | I | 86.2 | Confident | 83.4 | Confident | 46 Ų | 46 | 58.8 Ų | 58.8 | 24% | 0.236 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -58.8 | -48.8 | 175.2 | -68.7 | 175.5 | 0 | 0 | 0 | 109.4 | T472 I478 K479 E480 | T472-I476 HydrophobicContact CG2-CD1 3.62Å; T472-I476 HydrophobicContact CG2-CG1 4.11Å; T472-I476 WeakPolarHBondContact O-CB 3.5Å; T472-I476 VanDerWaalsContact O-CG1 3.27Å; T472-I476 WeakPolarHBondContact O-CG1 3.34Å; T472-I476 PolarHBondContact O-N 3.16Å; I476-I478 VanDerWaalsContact C-N 3.34Å; I476-I478 PolarHBondContact O-N 3.02Å; I476-K479 PolarHBondContact O-N 3.46Å; I476-E480 VanDerWaalsContact CG2-CD 3.47Å; I476-E480 HydrophobicContact CG2-CG 4Å; I476-E480 VanDerWaalsContact O-CB 3.31Å; I476-E480 WeakPolarHBondContact O-CB 2.99Å; I476-E480 WeakPolarHBondContact O-CG 3.22Å; I476-E480 PolarHBondContact O-N 3.07Å |
| 477 | S | 85.3 | Confident | 82.8 | Confident | 48 Ų | 48 | 54.7 Ų | 54.7 | 34% | 0.336 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -55.9 | -47.6 | 177.9 | -176.9 | 0 | 0 | 0 | 0 | 111.5 | D473 I474 I475 K479 Q481 | D473-S477 VanDerWaalsContact O-CB 3.26Å; D473-S477 WeakPolarHBondContact O-CB 3.46Å; D473-S477 PolarHBondContact O-N 3.02Å; I474-S477 PolarHBondContact O-N 3.24Å; I475-S477 VanDerWaalsContact C-N 3.35Å; S477-K479 PolarHBondContact O-N 2.99Å; S477-Q481 WeakPolarHBondContact O-CB 3.35Å; S477-Q481 WeakPolarHBondContact O-CG 3.46Å; S477-Q481 PolarHBondContact O-N 3.4Å; S477-Q481 VanDerWaalsContact OG-CD 3.31Å; S477-Q481 PolarHBondContact OG-NE2 2.97Å; S477-Q481 PolarHBondContact OG-OE1 3.48Å |
| 478 | I | 82 | Confident | 82.1 | Confident | 40 Ų | 40 | 59 Ų | 59 | 21% | 0.205 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.3 | -46.4 | 180 | -69.1 | 163.1 | 0 | 0 | 0 | 110.9 | F461 I474 I475 I476 A482 | F461-I478 HydrophobicContact CB-CD1 3.54Å; F461-I478 HydrophobicContact CD1-CD1 3.64Å; F461-I478 HydrophobicContact CD2-CD1 3.77Å; F461-I478 HydrophobicContact CE1-CD1 4.25Å; F461-I478 HydrophobicContact CE2-CD1 4.37Å; F461-I478 HydrophobicContact CG-CD1 3.35Å; I474-I478 HydrophobicContact CG2-CD1 3.69Å; I474-I478 HydrophobicContact CG2-CG1 4.41Å; I474-I478 VanDerWaalsContact O-CG1 3.26Å; I474-I478 WeakPolarHBondContact O-CG1 3.2Å; I474-I478 PolarHBondContact O-N 2.97Å; I475-I478 PolarHBondContact O-N 2.79Å; I476-I478 VanDerWaalsContact C-N 3.34Å; I476-I478 PolarHBondContact O-N 3.02Å; I478-A482 WeakPolarHBondContact O-CB 3.27Å; I478-A482 PolarHBondContact O-N 3.14Å; I478-A482 VanDerWaalsContact O-N 3.15Å |
| 479 | K | 81.7 | Confident | 81.4 | Confident | 23 Ų | 23 | 64.4 Ų | 64.4 | 10% | 0.1 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -78.3 | -39.6 | -173.3 | -68 | -59.2 | -155.4 | -177.2 | 0 | 113.1 | N398 Y402 H458 I475 I476 S477 T483 | N398-K479 PolarHBondContact O-NZ 3.48Å; Y402-K479 HydrophobicContact CD1-CB 3.92Å; Y402-K479 HydrophobicContact CD1-CG 4.43Å; Y402-K479 HydrophobicContact CD2-CB 3.84Å; Y402-K479 HydrophobicContact CD2-CD 4.41Å; Y402-K479 HydrophobicContact CD2-CG 3.57Å; Y402-K479 HydrophobicContact CE1-CB 3.94Å; Y402-K479 HydrophobicContact CE2-CB 3.84Å; Y402-K479 HydrophobicContact CE2-CG 3.88Å; Y402-K479 HydrophobicContact CG-CB 3.86Å; Y402-K479 HydrophobicContact CG-CD 4.37Å; Y402-K479 HydrophobicContact CG-CG 3.86Å; H458-K479 PolarHBondContact CE1-NZ 2.94Å; H458-K479 VanDerWaalsContact CE1-NZ 3.32Å; H458-K479 WeakPolarHBondContact NE2-CE 3.2Å; H458-K479 PolarHBondContact NE2-NZ 3.41Å; I475-K479 WeakPolarHBondContact O-CG 3.4Å; I475-K479 PolarHBondContact O-N 3.29Å; I476-K479 PolarHBondContact O-N 3.46Å; S477-K479 PolarHBondContact O-N 2.99Å; K479-T483 PolarHBondContact O-N 3.23Å; K479-T483 PolarHBondContact O-OG1 3.49Å |
| 480 | E | 75.2 | Confident | 80.9 | Confident | 95 Ų | 95 | 61.7 Ų | 61.7 | 44% | 0.444 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -77.8 | -37.2 | 178.8 | -64 | -171.7 | 177.8 | 0 | 0 | 111.6 | I476 T483 V484 | I476-E480 VanDerWaalsContact CG2-CD 3.47Å; I476-E480 HydrophobicContact CG2-CG 4Å; I476-E480 VanDerWaalsContact O-CB 3.31Å; I476-E480 WeakPolarHBondContact O-CB 2.99Å; I476-E480 WeakPolarHBondContact O-CG 3.22Å; I476-E480 PolarHBondContact O-N 3.07Å; E480-T483 WeakPolarHBondContact O-CB 3.35Å; E480-T483 PolarHBondContact O-N 3.16Å; E480-V484 WeakPolarHBondContact O-CG2 3.44Å; E480-V484 PolarHBondContact O-N 3.44Å |
| 481 | Q | 66.7 | Low | 80.3 | Confident | 118 Ų | 118 | 59.4 Ų | 59.4 | 55% | 0.551 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -66.7 | -39.2 | 173.1 | -71.4 | 178.2 | -18.9 | 0 | 0 | 112.7 | S477 T483 V484 S485 | S477-Q481 WeakPolarHBondContact O-CB 3.35Å; S477-Q481 WeakPolarHBondContact O-CG 3.46Å; S477-Q481 PolarHBondContact O-N 3.4Å; S477-Q481 VanDerWaalsContact OG-CD 3.31Å; S477-Q481 PolarHBondContact OG-NE2 2.97Å; S477-Q481 PolarHBondContact OG-OE1 3.48Å; Q481-T483 PolarHBondContact O-N 3.21Å; Q481-V484 PolarHBondContact O-N 2.96Å; Q481-S485 WeakPolarHBondContact O-CB 3.08Å; Q481-S485 PolarHBondContact O-N 3.38Å; Q481-S485 PolarHBondContact O-OG 2.96Å |
| 482 | A | 65.5 | Low | 79.8 | Confident | 44 Ų | 44 | 61.8 Ų | 61.8 | 36% | 0.364 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -58.6 | -40.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | I478 N486 | I478-A482 WeakPolarHBondContact O-CB 3.27Å; I478-A482 PolarHBondContact O-N 3.14Å; I478-A482 VanDerWaalsContact O-N 3.15Å; A482-N486 WeakPolarHBondContact O-CB 3.34Å; A482-N486 PolarHBondContact O-N 3Å; A482-N486 PolarHBondContact O-ND2 3.11Å |
| 483 | T | 69.9 | Low | 79.5 | Confident | 59 Ų | 59 | 64.5 Ų | 64.5 | 36% | 0.362 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -64.6 | -44.8 | 176.6 | -54.5 | 0 | 0 | 0 | 0 | 111.9 | K479 E480 Q481 K487 | K479-T483 PolarHBondContact O-N 3.23Å; K479-T483 PolarHBondContact O-OG1 3.49Å; E480-T483 WeakPolarHBondContact O-CB 3.35Å; E480-T483 PolarHBondContact O-N 3.16Å; Q481-T483 PolarHBondContact O-N 3.21Å; T483-K487 HydrophobicContact CG2-CD 4.28Å; T483-K487 WeakPolarHBondContact O-CB 3.37Å; T483-K487 WeakPolarHBondContact O-CG 3.45Å; T483-K487 PolarHBondContact O-N 2.92Å |
| 484 | V | 70 | Confident | 79.4 | Confident | 96 Ų | 96 | 60.9 Ų | 60.9 | 58% | 0.582 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -66.7 | -44.4 | 177.7 | 175 | 0 | 0 | 0 | 0 | 111.9 | E480 Q481 K487 L488 | E480-V484 WeakPolarHBondContact O-CG2 3.44Å; E480-V484 PolarHBondContact O-N 3.44Å; Q481-V484 PolarHBondContact O-N 2.96Å; V484-K487 WeakPolarHBondContact O-CB 3.46Å; V484-K487 PolarHBondContact O-N 3.25Å; V484-L488 WeakPolarHBondContact O-CB 3.33Å; V484-L488 PolarHBondContact O-N 3.28Å |
| 485 | S | 67.3 | Low | 79.3 | Confident | 72 Ų | 72 | 64 Ų | 64 | 50% | 0.503 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -65 | -42 | -179.7 | -56.8 | 0 | 0 | 0 | 0 | 111.3 | Q481 L488 L489 | Q481-S485 WeakPolarHBondContact O-CB 3.08Å; Q481-S485 PolarHBondContact O-N 3.38Å; Q481-S485 PolarHBondContact O-OG 2.96Å; S485-L488 PolarHBondContact O-N 3.01Å; S485-L489 VanDerWaalsContact O-CB 3.31Å; S485-L489 WeakPolarHBondContact O-CB 3.49Å; S485-L489 PolarHBondContact O-N 3.18Å |
| 486 | N | 71.9 | Confident | 79.2 | Confident | 78 Ų | 78 | 67 Ų | 67 | 42% | 0.417 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -64.3 | -42.4 | 174.5 | -71.8 | -15.7 | 0 | 0 | 0 | 111.2 | A482 L488 L489 V490 L522 | A482-N486 WeakPolarHBondContact O-CB 3.34Å; A482-N486 PolarHBondContact O-N 3Å; A482-N486 PolarHBondContact O-ND2 3.11Å; N486-L488 VanDerWaalsContact C-N 3.34Å; N486-L488 PolarHBondContact O-N 3.24Å; N486-L489 PolarHBondContact O-N 3.31Å; N486-V490 VanDerWaalsContact O-CG2 3.28Å; N486-V490 WeakPolarHBondContact O-CG2 3.48Å; N486-V490 PolarHBondContact O-N 2.81Å; N486-L522 HydrophobicContact CB-CD1 4.02Å; N486-L522 HydrophobicContact CB-CD2 4.07Å |
| 487 | K | 79.4 | Confident | 79.5 | Confident | 74 Ų | 74 | 67.2 Ų | 67.2 | 32% | 0.322 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -59 | -46.1 | 175.3 | -78.3 | 172.3 | 171.3 | -179.5 | 0 | 111.8 | T483 V484 S491 L522 I524 | T483-K487 HydrophobicContact CG2-CD 4.28Å; T483-K487 WeakPolarHBondContact O-CB 3.37Å; T483-K487 WeakPolarHBondContact O-CG 3.45Å; T483-K487 PolarHBondContact O-N 2.92Å; V484-K487 WeakPolarHBondContact O-CB 3.46Å; V484-K487 PolarHBondContact O-N 3.25Å; K487-S491 WeakPolarHBondContact O-CB 3.13Å; K487-S491 PolarHBondContact O-N 3.11Å; K487-L522 WeakPolarHBondContact CE-O 3.1Å; K487-L522 HydrophobicContact CG-CB 4.03Å; K487-I524 HydrophobicContact CB-CD1 4.01Å; K487-I524 HydrophobicContact CB-CG1 4.34Å; K487-I524 HydrophobicContact CG-CD1 4.02Å; K487-I524 HydrophobicContact CG-CG1 3.9Å |
| 488 | L | 78.6 | Confident | 79.8 | Confident | 122 Ų | 122 | 68.9 Ų | 68.9 | 64% | 0.639 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -66.4 | -44 | 179.5 | -177.1 | 64.8 | 0 | 0 | 0 | 111.9 | V484 S485 N486 S491 S492 | V484-L488 WeakPolarHBondContact O-CB 3.33Å; V484-L488 PolarHBondContact O-N 3.28Å; S485-L488 PolarHBondContact O-N 3.01Å; N486-L488 VanDerWaalsContact C-N 3.34Å; N486-L488 PolarHBondContact O-N 3.24Å; L488-S491 PolarHBondContact O-N 2.85Å; L488-S492 WeakPolarHBondContact O-CB 3.19Å; L488-S492 PolarHBondContact O-N 2.84Å |
| 489 | L | 78.6 | Confident | 80.1 | Confident | 114 Ų | 114 | 73 Ų | 73 | 60% | 0.597 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -61.9 | -47.9 | 179.7 | -178.5 | 65.5 | 0 | 0 | 0 | 111.4 | S485 N486 S492 E493 | S485-L489 VanDerWaalsContact O-CB 3.31Å; S485-L489 WeakPolarHBondContact O-CB 3.49Å; S485-L489 PolarHBondContact O-N 3.18Å; N486-L489 PolarHBondContact O-N 3.31Å; L489-S492 WeakPolarHBondContact O-CB 3.21Å; L489-S492 PolarHBondContact O-N 2.88Å; L489-E493 PolarHBondContact O-N 2.89Å |
| 490 | V | 84.1 | Confident | 80.4 | Confident | 13 Ų | 13 | 78.4 Ų | 78.4 | 8% | 0.079 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -69.3 | -36.8 | 179.7 | -177.3 | 0 | 0 | 0 | 0 | 111 | N486 S492 E493 F494 I515 K518 M519 L522 | N486-V490 VanDerWaalsContact O-CG2 3.28Å; N486-V490 WeakPolarHBondContact O-CG2 3.48Å; N486-V490 PolarHBondContact O-N 2.81Å; V490-S492 VanDerWaalsContact C-N 3.35Å; V490-S492 PolarHBondContact O-N 2.72Å; V490-E493 WeakPolarHBondContact O-CB 3.44Å; V490-E493 PolarHBondContact O-N 3.39Å; V490-F494 PolarHBondContact O-N 2.94Å; V490-I515 HydrophobicContact CG1-CG2 4.06Å; V490-K518 HydrophobicContact CG1-CB 3.67Å; V490-K518 HydrophobicContact CG1-CD 4.42Å; V490-K518 HydrophobicContact CG2-CB 4.31Å; V490-K518 HydrophobicContact CG2-CD 4.46Å; V490-M519 HydrophobicContact CB-CG 4.37Å; V490-M519 HydrophobicContact CG1-CB 4.4Å; V490-M519 HydrophobicContact CG1-CG 3.36Å; V490-L522 HydrophobicContact CB-CD1 4.12Å; V490-L522 HydrophobicContact CG2-CD1 3.68Å |
| 491 | S | 84 | Confident | 81.1 | Confident | 30 Ų | 30 | 80.1 Ų | 80.1 | 21% | 0.21 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -62.1 | -41.9 | 172.3 | 177.1 | 0 | 0 | 0 | 0 | 111.8 | K487 L488 F494 H495 | K487-S491 WeakPolarHBondContact O-CB 3.13Å; K487-S491 PolarHBondContact O-N 3.11Å; L488-S491 PolarHBondContact O-N 2.85Å; S491-F494 WeakPolarHBondContact O-CB 3.19Å; S491-F494 PolarHBondContact O-N 3.14Å; S491-H495 PolarHBondContact O-CD2 2.74Å; S491-H495 PolarHBondContact O-N 2.96Å |
| 492 | S | 82.8 | Confident | 82.2 | Confident | 69 Ų | 69 | 78.6 Ų | 78.6 | 48% | 0.483 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -64.3 | -40 | 173.1 | -176 | 0 | 0 | 0 | 0 | 112.1 | L488 L489 V490 F494 H495 A496 | L488-S492 WeakPolarHBondContact O-CB 3.19Å; L488-S492 PolarHBondContact O-N 2.84Å; L489-S492 WeakPolarHBondContact O-CB 3.21Å; L489-S492 PolarHBondContact O-N 2.88Å; V490-S492 VanDerWaalsContact C-N 3.35Å; V490-S492 PolarHBondContact O-N 2.72Å; S492-F494 VanDerWaalsContact C-N 3.3Å; S492-F494 PolarHBondContact O-N 3.34Å; S492-H495 PolarHBondContact O-N 3.22Å; S492-A496 VanDerWaalsContact O-CB 3.26Å; S492-A496 WeakPolarHBondContact O-CB 3.35Å; S492-A496 PolarHBondContact O-N 3.14Å |
| 493 | E | 86.3 | Confident | 83.3 | Confident | 77 Ų | 77 | 78.6 Ų | 78.6 | 36% | 0.36 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -58.4 | -45.2 | 174.7 | -164.2 | -176.9 | 175.9 | 0 | 0 | 109.8 | L489 V490 A496 Y497 I515 K518 | L489-E493 PolarHBondContact O-N 2.89Å; V490-E493 WeakPolarHBondContact O-CB 3.44Å; V490-E493 PolarHBondContact O-N 3.39Å; E493-A496 PolarHBondContact O-N 2.96Å; E493-Y497 WeakPolarHBondContact O-CB 3.07Å; E493-Y497 PolarHBondContact O-N 3.09Å; E493-I515 HydrophobicContact CB-CG2 4.38Å; E493-I515 HydrophobicContact CG-CD1 3.88Å; E493-I515 HydrophobicContact CG-CG1 4.03Å; E493-K518 IonicContact OE1-NZ 2.56Å; E493-K518 PolarHBondContact OE1-NZ 3.36Å; E493-K518 VanDerWaalsContact OE1-NZ 3.16Å; E493-K518 IonicContact OE2-NZ 3.05Å; E493-K518 PolarHBondContact OE2-NZ 2.87Å |
| 494 | F | 91.4 | Very high | 84.3 | Confident | 4 Ų | 4 | 80.1 Ų | 80.1 | 2% | 0.018 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -61.3 | -48.7 | 176.1 | -179 | -99.8 | 0 | 0 | 0 | 112.3 | V490 S491 S492 A496 Y497 L512 I515 V516 M519 L526 I530 V531 K534 | V490-F494 PolarHBondContact O-N 2.94Å; S491-F494 WeakPolarHBondContact O-CB 3.19Å; S491-F494 PolarHBondContact O-N 3.14Å; S492-F494 VanDerWaalsContact C-N 3.3Å; S492-F494 PolarHBondContact O-N 3.34Å; F494-A496 PolarHBondContact O-N 2.86Å; F494-Y497 PolarHBondContact O-N 3.21Å; F494-L512 HydrophobicContact CD2-CD1 4.44Å; F494-L512 HydrophobicContact CE2-CD1 4.03Å; F494-L512 HydrophobicContact CE2-CG 4.44Å; F494-I515 HydrophobicContact CB-CG2 3.66Å; F494-I515 HydrophobicContact CD2-CG2 4.2Å; F494-I515 HydrophobicContact CG-CG2 4.45Å; F494-V516 HydrophobicContact CD2-CG2 4.24Å; F494-V516 HydrophobicContact CE2-CG2 3.89Å; F494-M519 HydrophobicContact CB-SD 3.57Å; F494-M519 VanDerWaalsContact CB-SD 3.57Å; F494-M519 HydrophobicContact CD1-SD 4.37Å; F494-M519 HydrophobicContact CD2-SD 4Å; F494-M519 HydrophobicContact CG-SD 3.73Å; F494-L526 HydrophobicContact CE1-CD2 4.46Å; F494-L526 HydrophobicContact CZ-CD2 4.48Å; F494-I530 HydrophobicContact CE1-CG2 3.89Å; F494-I530 HydrophobicContact CZ-CG2 4.11Å; F494-V531 HydrophobicContact CZ-CG2 4.48Å; F494-K534 HydrophobicContact CE1-CG 4.36Å; F494-K534 HydrophobicContact CE2-CG 4.25Å; F494-K534 HydrophobicContact CZ-CB 3.97Å; F494-K534 HydrophobicContact CZ-CG 3.93Å; F494-K534 WeakPolarHBondContact O-CE 3.42Å |
| 495 | H | 87.9 | Confident | 85.1 | Confident | 119 Ų | 119 | 79.9 Ų | 79.9 | 55% | 0.551 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -67.2 | -35.9 | -179.4 | -71.5 | -58.8 | 0 | 0 | 0 | 113 | S491 S492 K534 | S491-H495 PolarHBondContact O-CD2 2.74Å; S491-H495 PolarHBondContact O-N 2.96Å; S492-H495 PolarHBondContact O-N 3.22Å; H495-K534 PolarHBondContact O-NZ 2.83Å |
| 496 | A | 89 | Confident | 86.1 | Confident | 67 Ų | 67 | 79.8 Ų | 79.8 | 55% | 0.554 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -79.5 | -18.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | S492 E493 F494 T498 | S492-A496 VanDerWaalsContact O-CB 3.26Å; S492-A496 WeakPolarHBondContact O-CB 3.35Å; S492-A496 PolarHBondContact O-N 3.14Å; E493-A496 PolarHBondContact O-N 2.96Å; F494-A496 PolarHBondContact O-N 2.86Å; A496-T498 PolarHBondContact O-N 2.97Å; A496-T498 PolarHBondContact O-OG1 3.26Å |
| 497 | Y | 92.2 | Very high | 86.8 | Confident | 50 Ų | 50 | 78.8 Ų | 78.8 | 20% | 0.196 | 46% | 0.455 | C | S | . | . | trans | -63.1 | 120.5 | -179.6 | -164 | -102.6 | 0 | 0 | 0 | 110.8 | E493 F494 M503 L508 G511 L512 I515 K534 | E493-Y497 WeakPolarHBondContact O-CB 3.07Å; E493-Y497 PolarHBondContact O-N 3.09Å; F494-Y497 PolarHBondContact O-N 3.21Å; Y497-M503 WeakPolarHBondContact OH-CE 3.49Å; Y497-L508 HydrophobicContact CD1-CD1 4.44Å; Y497-L508 HydrophobicContact CE1-CD1 3.74Å; Y497-L508 HydrophobicContact CE1-CG 4.24Å; Y497-L508 WeakPolarHBondContact CE1-O 3.28Å; Y497-L508 PolarHBondContact OH-O 3.07Å; Y497-G511 WeakPolarHBondContact OH-CA 3.38Å; Y497-L512 HydrophobicContact CD1-CB 4.23Å; Y497-L512 HydrophobicContact CD1-CD1 3.85Å; Y497-L512 HydrophobicContact CE1-CB 4.04Å; Y497-L512 HydrophobicContact CE1-CD1 4.45Å; Y497-I515 HydrophobicContact CD1-CD1 4.4Å; Y497-I515 HydrophobicContact CD2-CD1 3.49Å; Y497-I515 VanDerWaalsContact CD2-CD1 3.49Å; Y497-I515 HydrophobicContact CE2-CD1 4.24Å; Y497-I515 HydrophobicContact CG-CD1 3.6Å; Y497-K534 WeakPolarHBondContact O-CE 3.26Å; Y497-K534 PolarHBondContact O-NZ 2.66Å | ||
| 498 | T | 90.3 | Very high | 87.3 | Confident | 83 Ų | 83 | 76.1 Ų | 76.1 | 51% | 0.509 | 44% | 0.444 | S | S | . | . | trans | -146.7 | 158.6 | -174.2 | 46.7 | 0 | 0 | 0 | 0 | 109.9 | A496 K500 | A496-T498 PolarHBondContact O-N 2.97Å; A496-T498 PolarHBondContact O-OG1 3.26Å; T498-K500 PolarHBondContact O-N 3.41Å | ||
| 499 | W | 88.9 | Confident | 87.9 | Confident | 127 Ų | 127 | 74 Ų | 74 | 48% | 0.481 | 43% | 0.433 | S | S | . | . | trans | -61.6 | 131.7 | 174.6 | -178.4 | -84.1 | 0 | 0 | 0 | 111.6 | M503 N504 V505 L508 | W499-M503 HydrophobicContact CD2-CB 4.42Å; W499-M503 WeakPolarHBondContact CH2-O 2.8Å; W499-M503 WeakPolarHBondContact CZ2-O 3.4Å; W499-N504 VanDerWaalsContact CH2-C 3.44Å; W499-V505 HydrophobicContact CH2-CG2 3.98Å; W499-V505 HydrophobicContact CZ3-CB 4.45Å; W499-V505 HydrophobicContact CZ3-CG2 3.96Å; W499-L508 HydrophobicContact CB-CD1 4.21Å; W499-L508 HydrophobicContact CE3-CB 3.95Å; W499-L508 HydrophobicContact CE3-CD1 4.05Å; W499-L508 HydrophobicContact CE3-CD2 3.86Å; W499-L508 HydrophobicContact CE3-CG 4.15Å; W499-L508 HydrophobicContact CZ3-CB 4.08Å; W499-L508 HydrophobicContact CZ3-CD2 4.33Å | ||
| 500 | K | 88.2 | Confident | 88.4 | Confident | 135 Ų | 135 | 71.2 Ų | 71.2 | 59% | 0.587 | 43% | 0.426 | S | S | * | . | trans | -108.6 | 145.8 | 174.2 | -57.3 | -179.6 | 179.4 | 178.1 | 0 | 110.8 | T498 G502 M503 | T498-K500 PolarHBondContact O-N 3.41Å; K500-G502 PolarHBondContact O-N 3.11Å; K500-M503 HydrophobicContact CB-CG 4.09Å; K500-M503 HydrophobicContact CB-SD 3.61Å; K500-M503 HydrophobicContact CD-SD 4.29Å; K500-M503 HydrophobicContact CG-SD 3.89Å; K500-M503 PolarHBondContact N-SD 3.12Å; K500-M503 WeakPolarHBondContact O-CB 2.76Å; K500-M503 PolarHBondContact O-N 2.66Å | ||
| 501 | P | 89.4 | Confident | 88.6 | Confident | 131 Ų | 131 | 71.5 Ų | 71.5 | 85% | 0.851 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.3 | 128.9 | 174.7 | -25 | 33.7 | 0 | 0 | 0 | 111.7 | ||
| 502 | G | 89.9 | Confident | 89 | Confident | 86 Ų | 86 | 70.3 Ų | 70.3 | 89% | 0.887 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.1 | -9.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | K500 | K500-G502 PolarHBondContact O-N 3.11Š|
| 503 | M | 89.1 | Confident | 89.3 | Confident | 45 Ų | 45 | 70.7 Ų | 70.7 | 22% | 0.222 | 42% | 0.419 | C | S | . | . | trans | -69 | 150.1 | 168.5 | -70.9 | 178.5 | 58.2 | 0 | 0 | 110.4 | Y497 W499 K500 L508 | Y497-M503 WeakPolarHBondContact OH-CE 3.49Å; W499-M503 HydrophobicContact CD2-CB 4.42Å; W499-M503 WeakPolarHBondContact CH2-O 2.8Å; W499-M503 WeakPolarHBondContact CZ2-O 3.4Å; K500-M503 HydrophobicContact CB-CG 4.09Å; K500-M503 HydrophobicContact CB-SD 3.61Å; K500-M503 HydrophobicContact CD-SD 4.29Å; K500-M503 HydrophobicContact CG-SD 3.89Å; K500-M503 PolarHBondContact N-SD 3.12Å; K500-M503 WeakPolarHBondContact O-CB 2.76Å; K500-M503 PolarHBondContact O-N 2.66Å; M503-L508 HydrophobicContact CE-CB 4.02Å; M503-L508 HydrophobicContact CE-CD1 3.92Å | ||
| 504 | N | 90.6 | Very high | 89.4 | Confident | 90 Ų | 90 | 70.6 Ų | 70.6 | 48% | 0.481 | 42% | 0.424 | S | S | . | . | trans | -103.8 | 167.8 | 164.8 | 68.1 | 46.1 | 0 | 0 | 0 | 109.8 | W499 A506 S507 L508 | W499-N504 VanDerWaalsContact CH2-C 3.44Å; N504-A506 VanDerWaalsContact C-N 3.3Å; N504-A506 PolarHBondContact O-N 3.35Å; N504-A506 WeakPolarHBondContact OD1-CB 3.06Å; N504-A506 PolarHBondContact OD1-N 3.41Å; N504-A506 VanDerWaalsContact OD1-N 3.11Å; N504-S507 PolarHBondContact O-N 3.03Å; N504-S507 VanDerWaalsContact O-N 3.16Å; N504-S507 PolarHBondContact OD1-N 3.07Å; N504-S507 PolarHBondContact OD1-OG 3.4Å; N504-S507 VanDerWaalsContact OD1-OG 3.08Å; N504-L508 PolarHBondContact O-N 3.16Å; N504-L508 VanDerWaalsContact O-N 3.09Å | ||
| 505 | V | 87.7 | Confident | 89.4 | Confident | 92 Ų | 92 | 70.5 Ų | 70.5 | 56% | 0.558 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -59.4 | -39.5 | -177.1 | 180 | 0 | 0 | 0 | 0 | 112.4 | W499 S507 L508 I509 | W499-V505 HydrophobicContact CH2-CG2 3.98Å; W499-V505 HydrophobicContact CZ3-CB 4.45Å; W499-V505 HydrophobicContact CZ3-CG2 3.96Å; V505-S507 VanDerWaalsContact C-N 3.34Å; V505-S507 PolarHBondContact O-N 2.79Å; V505-L508 PolarHBondContact O-N 3.48Å; V505-I509 HydrophobicContact CG1-CD1 3.83Å; V505-I509 HydrophobicContact CG1-CG1 4.37Å; V505-I509 WeakPolarHBondContact O-CG1 3.23Å; V505-I509 PolarHBondContact O-N 2.88Å |
| 506 | A | 88.6 | Confident | 89.4 | Confident | 70 Ų | 70 | 65.4 Ų | 65.4 | 58% | 0.579 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -63.1 | -41.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | N504 I509 A510 | N504-A506 VanDerWaalsContact C-N 3.3Å; N504-A506 PolarHBondContact O-N 3.35Å; N504-A506 WeakPolarHBondContact OD1-CB 3.06Å; N504-A506 PolarHBondContact OD1-N 3.41Å; N504-A506 VanDerWaalsContact OD1-N 3.11Å; A506-I509 PolarHBondContact O-N 3.15Å; A506-A510 WeakPolarHBondContact O-CB 3.4Å; A506-A510 PolarHBondContact O-N 2.73Å |
| 507 | S | 86.7 | Confident | 89.3 | Confident | 57 Ų | 57 | 66.8 Ų | 66.8 | 40% | 0.399 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -66 | -38.4 | 176.9 | -56.1 | 0 | 0 | 0 | 0 | 112.7 | N504 V505 G511 | N504-S507 PolarHBondContact O-N 3.03Å; N504-S507 VanDerWaalsContact O-N 3.16Å; N504-S507 PolarHBondContact OD1-N 3.07Å; N504-S507 PolarHBondContact OD1-OG 3.4Å; N504-S507 VanDerWaalsContact OD1-OG 3.08Å; V505-S507 VanDerWaalsContact C-N 3.34Å; V505-S507 PolarHBondContact O-N 2.79Å; S507-G511 PolarHBondContact O-N 2.88Å; S507-G511 VanDerWaalsContact O-N 3.1Å |
| 508 | L | 89.4 | Confident | 88.9 | Confident | 18 Ų | 18 | 68.3 Ų | 68.3 | 9% | 0.094 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -61.3 | -52.1 | 174.2 | -175.7 | 82.1 | 0 | 0 | 0 | 110.9 | Y497 W499 M503 N504 V505 A510 G511 L512 | Y497-L508 HydrophobicContact CD1-CD1 4.44Å; Y497-L508 HydrophobicContact CE1-CD1 3.74Å; Y497-L508 HydrophobicContact CE1-CG 4.24Å; Y497-L508 WeakPolarHBondContact CE1-O 3.28Å; Y497-L508 PolarHBondContact OH-O 3.07Å; W499-L508 HydrophobicContact CB-CD1 4.21Å; W499-L508 HydrophobicContact CE3-CB 3.95Å; W499-L508 HydrophobicContact CE3-CD1 4.05Å; W499-L508 HydrophobicContact CE3-CD2 3.86Å; W499-L508 HydrophobicContact CE3-CG 4.15Å; W499-L508 HydrophobicContact CZ3-CB 4.08Å; W499-L508 HydrophobicContact CZ3-CD2 4.33Å; M503-L508 HydrophobicContact CE-CB 4.02Å; M503-L508 HydrophobicContact CE-CD1 3.92Å; N504-L508 PolarHBondContact O-N 3.16Å; N504-L508 VanDerWaalsContact O-N 3.09Å; V505-L508 PolarHBondContact O-N 3.48Å; L508-A510 VanDerWaalsContact C-N 3.31Å; L508-A510 PolarHBondContact O-N 3.28Å; L508-G511 PolarHBondContact O-N 2.72Å; L508-L512 WeakPolarHBondContact O-CB 3.49Å; L508-L512 PolarHBondContact O-N 3.15Å |
| 509 | I | 90.3 | Very high | 88.6 | Confident | 78 Ų | 78 | 64.6 Ų | 64.6 | 40% | 0.4 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -62.2 | -41.1 | -178.3 | -66.7 | 174.1 | 0 | 0 | 0 | 110.7 | V505 A506 L512 N513 | V505-I509 HydrophobicContact CG1-CD1 3.83Å; V505-I509 HydrophobicContact CG1-CG1 4.37Å; V505-I509 WeakPolarHBondContact O-CG1 3.23Å; V505-I509 PolarHBondContact O-N 2.88Å; A506-I509 PolarHBondContact O-N 3.15Å; I509-L512 PolarHBondContact O-N 2.86Å; I509-N513 WeakPolarHBondContact O-CB 3.35Å; I509-N513 PolarHBondContact O-N 3.21Å |
| 510 | A | 89.1 | Confident | 88.3 | Confident | 54 Ų | 54 | 64 Ų | 64 | 45% | 0.446 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -62.6 | -43 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | A506 L508 T514 | A506-A510 WeakPolarHBondContact O-CB 3.4Å; A506-A510 PolarHBondContact O-N 2.73Å; L508-A510 VanDerWaalsContact C-N 3.31Å; L508-A510 PolarHBondContact O-N 3.28Å; A510-T514 PolarHBondContact O-N 2.87Å; A510-T514 PolarHBondContact O-OG1 3.45Å |
| 511 | G | 89.1 | Confident | 87.7 | Confident | 19 Ų | 19 | 62.1 Ų | 62.1 | 20% | 0.196 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -69.2 | -40.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y497 S507 L508 T514 I515 | Y497-G511 WeakPolarHBondContact OH-CA 3.38Å; S507-G511 PolarHBondContact O-N 2.88Å; S507-G511 VanDerWaalsContact O-N 3.1Å; L508-G511 PolarHBondContact O-N 2.72Å; G511-T514 WeakPolarHBondContact O-CB 3.45Å; G511-T514 PolarHBondContact O-N 3.27Å; G511-I515 WeakPolarHBondContact O-CG1 3.35Å; G511-I515 PolarHBondContact O-N 3.01Å |
| 512 | L | 91.9 | Very high | 87.1 | Confident | 6 Ų | 6 | 57.6 Ų | 57.6 | 3% | 0.031 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -59 | -48.3 | 173.5 | -167.8 | 92 | 0 | 0 | 0 | 111.2 | F494 Y497 L508 I509 T514 I515 V516 V531 K534 A535 | F494-L512 HydrophobicContact CD2-CD1 4.44Å; F494-L512 HydrophobicContact CE2-CD1 4.03Å; F494-L512 HydrophobicContact CE2-CG 4.44Å; Y497-L512 HydrophobicContact CD1-CB 4.23Å; Y497-L512 HydrophobicContact CD1-CD1 3.85Å; Y497-L512 HydrophobicContact CE1-CB 4.04Å; Y497-L512 HydrophobicContact CE1-CD1 4.45Å; L508-L512 WeakPolarHBondContact O-CB 3.49Å; L508-L512 PolarHBondContact O-N 3.15Å; I509-L512 PolarHBondContact O-N 2.86Å; L512-T514 VanDerWaalsContact C-N 3.26Å; L512-T514 PolarHBondContact O-N 2.74Å; L512-I515 PolarHBondContact O-N 3.47Å; L512-I515 VanDerWaalsContact O-N 3.09Å; L512-V516 WeakPolarHBondContact O-CG2 3.38Å; L512-V516 PolarHBondContact O-N 3.28Å; L512-V531 HydrophobicContact CD2-CG1 3.73Å; L512-K534 HydrophobicContact CD1-CB 4.22Å; L512-K534 HydrophobicContact CD1-CG 3.63Å; L512-A535 HydrophobicContact CD2-CB 4.11Å |
| 513 | N | 90.2 | Very high | 86.4 | Confident | 76 Ų | 76 | 60.2 Ų | 60.2 | 41% | 0.406 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -59.8 | -36.5 | 177.7 | -83.3 | -15.8 | 0 | 0 | 0 | 112.3 | I509 I515 V516 N517 | I509-N513 WeakPolarHBondContact O-CB 3.35Å; I509-N513 PolarHBondContact O-N 3.21Å; N513-I515 VanDerWaalsContact C-N 3.33Å; N513-I515 PolarHBondContact O-N 2.8Å; N513-V516 PolarHBondContact O-N 3.02Å; N513-N517 WeakPolarHBondContact O-CB 3.24Å; N513-N517 PolarHBondContact O-N 3.12Å; N513-N517 PolarHBondContact O-ND2 2.96Å |
| 514 | T | 88.4 | Confident | 86 | Confident | 75 Ų | 75 | 59.9 Ų | 59.9 | 46% | 0.46 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -61.2 | -43.8 | 175.7 | -57.3 | 0 | 0 | 0 | 0 | 111.1 | A510 G511 L512 K518 | A510-T514 PolarHBondContact O-N 2.87Å; A510-T514 PolarHBondContact O-OG1 3.45Å; G511-T514 WeakPolarHBondContact O-CB 3.45Å; G511-T514 PolarHBondContact O-N 3.27Å; L512-T514 VanDerWaalsContact C-N 3.26Å; L512-T514 PolarHBondContact O-N 2.74Å; T514-K518 WeakPolarHBondContact O-CG 3.42Å; T514-K518 PolarHBondContact O-N 2.78Å |
| 515 | I | 90 | Very high | 85.4 | Confident | 3 Ų | 3 | 62.4 Ų | 62.4 | 2% | 0.015 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -68.6 | -45.1 | 178.2 | -59.5 | 165.3 | 0 | 0 | 0 | 110.6 | V490 E493 F494 Y497 G511 L512 N513 N517 K518 M519 | V490-I515 HydrophobicContact CG1-CG2 4.06Å; E493-I515 HydrophobicContact CB-CG2 4.38Å; E493-I515 HydrophobicContact CG-CD1 3.88Å; E493-I515 HydrophobicContact CG-CG1 4.03Å; F494-I515 HydrophobicContact CB-CG2 3.66Å; F494-I515 HydrophobicContact CD2-CG2 4.2Å; F494-I515 HydrophobicContact CG-CG2 4.45Å; Y497-I515 HydrophobicContact CD1-CD1 4.4Å; Y497-I515 HydrophobicContact CD2-CD1 3.49Å; Y497-I515 VanDerWaalsContact CD2-CD1 3.49Å; Y497-I515 HydrophobicContact CE2-CD1 4.24Å; Y497-I515 HydrophobicContact CG-CD1 3.6Å; G511-I515 WeakPolarHBondContact O-CG1 3.35Å; G511-I515 PolarHBondContact O-N 3.01Å; L512-I515 PolarHBondContact O-N 3.47Å; L512-I515 VanDerWaalsContact O-N 3.09Å; N513-I515 VanDerWaalsContact C-N 3.33Å; N513-I515 PolarHBondContact O-N 2.8Å; I515-N517 VanDerWaalsContact C-N 3.3Å; I515-N517 PolarHBondContact O-N 2.84Å; I515-K518 WeakPolarHBondContact O-CB 3.25Å; I515-K518 PolarHBondContact O-N 3.25Å; I515-K518 VanDerWaalsContact O-N 3.11Å; I515-M519 HydrophobicContact CG2-CG 4.47Å; I515-M519 HydrophobicContact CG2-SD 4.4Å; I515-M519 WeakPolarHBondContact O-CG 3.28Å; I515-M519 PolarHBondContact O-N 2.9Å |
| 516 | V | 89.3 | Confident | 85 | Confident | 11 Ų | 11 | 59.8 Ų | 59.8 | 7% | 0.067 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -58.3 | -42.1 | 177.7 | 170.7 | 0 | 0 | 0 | 0 | 111.4 | F494 L512 N513 K518 M519 Q520 L526 V531 | F494-V516 HydrophobicContact CD2-CG2 4.24Å; F494-V516 HydrophobicContact CE2-CG2 3.89Å; L512-V516 WeakPolarHBondContact O-CG2 3.38Å; L512-V516 PolarHBondContact O-N 3.28Å; N513-V516 PolarHBondContact O-N 3.02Å; V516-K518 PolarHBondContact O-N 2.79Å; V516-M519 WeakPolarHBondContact O-CB 3.49Å; V516-M519 PolarHBondContact O-N 2.96Å; V516-M519 VanDerWaalsContact O-N 3.11Å; V516-Q520 WeakPolarHBondContact O-CG 3.46Å; V516-Q520 PolarHBondContact O-N 3.23Å; V516-L526 HydrophobicContact CB-CD1 4.46Å; V516-L526 HydrophobicContact CG1-CD1 4Å; V516-L526 HydrophobicContact CG2-CD1 4.33Å; V516-V531 HydrophobicContact CG2-CG1 4.03Å; V516-V531 HydrophobicContact CG2-CG2 4.16Å |
| 517 | N | 86.3 | Confident | 84.7 | Confident | 97 Ų | 97 | 61.1 Ų | 61.1 | 52% | 0.519 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.2 | -40.3 | 176.2 | -70.9 | -18.4 | 0 | 0 | 0 | 112.3 | N513 I515 M519 Q520 S521 | N513-N517 WeakPolarHBondContact O-CB 3.24Å; N513-N517 PolarHBondContact O-N 3.12Å; N513-N517 PolarHBondContact O-ND2 2.96Å; I515-N517 VanDerWaalsContact C-N 3.3Å; I515-N517 PolarHBondContact O-N 2.84Å; N517-M519 VanDerWaalsContact C-N 3.3Å; N517-M519 PolarHBondContact O-N 3.41Å; N517-Q520 PolarHBondContact O-N 3.47Å; N517-S521 PolarHBondContact O-N 3.46Å |
| 518 | K | 82.6 | Confident | 84.5 | Confident | 82 Ų | 82 | 64.6 Ų | 64.6 | 36% | 0.357 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -62.9 | -37 | 172.1 | -68.2 | 175.4 | -173.3 | 173.4 | 0 | 111.8 | V490 E493 T514 I515 V516 S521 L522 | V490-K518 HydrophobicContact CG1-CB 3.67Å; V490-K518 HydrophobicContact CG1-CD 4.42Å; V490-K518 HydrophobicContact CG2-CB 4.31Å; V490-K518 HydrophobicContact CG2-CD 4.46Å; E493-K518 IonicContact OE1-NZ 2.56Å; E493-K518 PolarHBondContact OE1-NZ 3.36Å; E493-K518 VanDerWaalsContact OE1-NZ 3.16Å; E493-K518 IonicContact OE2-NZ 3.05Å; E493-K518 PolarHBondContact OE2-NZ 2.87Å; T514-K518 WeakPolarHBondContact O-CG 3.42Å; T514-K518 PolarHBondContact O-N 2.78Å; I515-K518 WeakPolarHBondContact O-CB 3.25Å; I515-K518 PolarHBondContact O-N 3.25Å; I515-K518 VanDerWaalsContact O-N 3.11Å; V516-K518 PolarHBondContact O-N 2.79Å; K518-S521 PolarHBondContact O-OG 3.23Å; K518-L522 WeakPolarHBondContact O-CG 3.34Å; K518-L522 PolarHBondContact O-N 3.15Å |
| 519 | M | 85.8 | Confident | 84.2 | Confident | 4 Ų | 4 | 66.8 Ų | 66.8 | 2% | 0.02 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -66.8 | -40.9 | 177.5 | -69.5 | -172.8 | 75.9 | 0 | 0 | 111.5 | V490 F494 I515 V516 N517 L522 N523 I524 L526 | V490-M519 HydrophobicContact CB-CG 4.37Å; V490-M519 HydrophobicContact CG1-CB 4.4Å; V490-M519 HydrophobicContact CG1-CG 3.36Å; F494-M519 HydrophobicContact CB-SD 3.57Å; F494-M519 VanDerWaalsContact CB-SD 3.57Å; F494-M519 HydrophobicContact CD1-SD 4.37Å; F494-M519 HydrophobicContact CD2-SD 4Å; F494-M519 HydrophobicContact CG-SD 3.73Å; I515-M519 HydrophobicContact CG2-CG 4.47Å; I515-M519 HydrophobicContact CG2-SD 4.4Å; I515-M519 WeakPolarHBondContact O-CG 3.28Å; I515-M519 PolarHBondContact O-N 2.9Å; V516-M519 WeakPolarHBondContact O-CB 3.49Å; V516-M519 PolarHBondContact O-N 2.96Å; V516-M519 VanDerWaalsContact O-N 3.11Å; N517-M519 VanDerWaalsContact C-N 3.3Å; N517-M519 PolarHBondContact O-N 3.41Å; M519-L522 CarbonylContact O-C 3.58Å; M519-L522 PolarHBondContact O-N 2.93Å; M519-N523 PolarHBondContact O-N 3.01Å; M519-I524 HydrophobicContact CB-CB 4.15Å; M519-I524 HydrophobicContact CB-CD1 4.17Å; M519-I524 HydrophobicContact CE-CB 4.11Å; M519-I524 HydrophobicContact CE-CD1 3.9Å; M519-I524 HydrophobicContact CE-CG2 3.53Å; M519-I524 HydrophobicContact CG-CD1 4.1Å; M519-I524 WeakPolarHBondContact O-CB 3.38Å; M519-I524 PolarHBondContact O-N 3.28Å; M519-L526 HydrophobicContact CB-CD1 3.75Å; M519-L526 HydrophobicContact CE-CD1 4.21Å; M519-L526 HydrophobicContact CE-CD2 3.82Å; M519-L526 HydrophobicContact CE-CG 4.18Å; M519-L526 HydrophobicContact CG-CD1 4.35Å; M519-L526 HydrophobicContact SD-CD1 3.83Å; M519-L526 HydrophobicContact SD-CD2 4.13Å; M519-L526 HydrophobicContact SD-CG 4.41Å |
| 520 | Q | 82.1 | Confident | 84 | Confident | 115 Ų | 115 | 67.3 Ų | 67.3 | 54% | 0.537 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -65.3 | -41.5 | 176.8 | -72.1 | 176.8 | -8.2 | 0 | 0 | 112.3 | V516 N517 L522 N523 | V516-Q520 WeakPolarHBondContact O-CG 3.46Å; V516-Q520 PolarHBondContact O-N 3.23Å; N517-Q520 PolarHBondContact O-N 3.47Å; Q520-L522 PolarHBondContact O-N 2.89Å; Q520-N523 PolarHBondContact O-N 3.36Å |
| 521 | S | 75.7 | Confident | 83.8 | Confident | 95 Ų | 95 | 65.8 Ų | 65.8 | 66% | 0.664 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -65.1 | -24.6 | 176.4 | 69.7 | 0 | 0 | 0 | 0 | 113.2 | N517 K518 N523 | N517-S521 PolarHBondContact O-N 3.46Å; K518-S521 PolarHBondContact O-OG 3.23Å; S521-N523 VanDerWaalsContact C-N 3.33Å |
| 522 | L | 76.3 | Confident | 83.6 | Confident | 37 Ų | 37 | 69.1 Ų | 69.1 | 19% | 0.194 | 39% | 0.388 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | 8.8 | 173.4 | -65.6 | 173.2 | 0 | 0 | 0 | 113.3 | N486 K487 V490 K518 M519 Q520 I524 | N486-L522 HydrophobicContact CB-CD1 4.02Å; N486-L522 HydrophobicContact CB-CD2 4.07Å; K487-L522 WeakPolarHBondContact CE-O 3.1Å; K487-L522 HydrophobicContact CG-CB 4.03Å; V490-L522 HydrophobicContact CB-CD1 4.12Å; V490-L522 HydrophobicContact CG2-CD1 3.68Å; K518-L522 WeakPolarHBondContact O-CG 3.34Å; K518-L522 PolarHBondContact O-N 3.15Å; M519-L522 CarbonylContact O-C 3.58Å; M519-L522 PolarHBondContact O-N 2.93Å; Q520-L522 PolarHBondContact O-N 2.89Å; L522-I524 VanDerWaalsContact C-N 3.3Å; L522-I524 HydrophobicContact CB-CD1 4.34Å; L522-I524 HydrophobicContact CB-CG1 4.19Å; L522-I524 PolarHBondContact O-N 3.2Å |
| 523 | N | 75.4 | Confident | 83.3 | Confident | 140 Ų | 140 | 71.3 Ų | 71.3 | 75% | 0.749 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.4 | 38.8 | -176 | -72.1 | -30 | 0 | 0 | 0 | 113.7 | M519 Q520 S521 | M519-N523 PolarHBondContact O-N 3.01Å; Q520-N523 PolarHBondContact O-N 3.36Å; S521-N523 VanDerWaalsContact C-N 3.33Å |
| 524 | I | 80.9 | Confident | 83.1 | Confident | 38 Ų | 38 | 70.7 Ų | 70.7 | 20% | 0.195 | 41% | 0.406 | C | S | . | . | trans | -89.3 | 118.5 | 170 | -51.3 | 173.1 | 0 | 0 | 0 | 108.3 | K487 M519 L522 L526 | K487-I524 HydrophobicContact CB-CD1 4.01Å; K487-I524 HydrophobicContact CB-CG1 4.34Å; K487-I524 HydrophobicContact CG-CD1 4.02Å; K487-I524 HydrophobicContact CG-CG1 3.9Å; M519-I524 HydrophobicContact CB-CB 4.15Å; M519-I524 HydrophobicContact CB-CD1 4.17Å; M519-I524 HydrophobicContact CE-CB 4.11Å; M519-I524 HydrophobicContact CE-CD1 3.9Å; M519-I524 HydrophobicContact CE-CG2 3.53Å; M519-I524 HydrophobicContact CG-CD1 4.1Å; M519-I524 WeakPolarHBondContact O-CB 3.38Å; M519-I524 PolarHBondContact O-N 3.28Å; L522-I524 VanDerWaalsContact C-N 3.3Å; L522-I524 HydrophobicContact CB-CD1 4.34Å; L522-I524 HydrophobicContact CB-CG1 4.19Å; L522-I524 PolarHBondContact O-N 3.2Å; I524-L526 PolarHBondContact O-N 2.91Å | ||
| 525 | V | 77.3 | Confident | 82.9 | Confident | 143 Ų | 143 | 69.1 Ų | 69.1 | 87% | 0.867 | 40% | 0.4 | S | S | * | . | trans | -72.2 | 126.7 | 177.9 | -176.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 526 | L | 80.1 | Confident | 82.5 | Confident | 37 Ų | 37 | 76.7 Ų | 76.7 | 19% | 0.194 | 45% | 0.447 | C | S | . | . | trans | -122.4 | 130.5 | 177.3 | -76.1 | 162.8 | 0 | 0 | 0 | 109.4 | F494 V516 M519 I524 V531 | F494-L526 HydrophobicContact CE1-CD2 4.46Å; F494-L526 HydrophobicContact CZ-CD2 4.48Å; V516-L526 HydrophobicContact CB-CD1 4.46Å; V516-L526 HydrophobicContact CG1-CD1 4Å; V516-L526 HydrophobicContact CG2-CD1 4.33Å; M519-L526 HydrophobicContact CB-CD1 3.75Å; M519-L526 HydrophobicContact CE-CD1 4.21Å; M519-L526 HydrophobicContact CE-CD2 3.82Å; M519-L526 HydrophobicContact CE-CG 4.18Å; M519-L526 HydrophobicContact CG-CD1 4.35Å; M519-L526 HydrophobicContact SD-CD1 3.83Å; M519-L526 HydrophobicContact SD-CD2 4.13Å; M519-L526 HydrophobicContact SD-CG 4.41Å; I524-L526 PolarHBondContact O-N 2.91Å; L526-V531 HydrophobicContact CB-CG2 4.33Å | ||
| 527 | D | 82.7 | Confident | 82.1 | Confident | 98 Ų | 98 | 80 Ų | 80 | 52% | 0.524 | 47% | 0.466 | S | S | . | . | trans | -76.9 | 132.3 | 167.5 | -172.9 | -15.6 | 0 | 0 | 0 | 109 | A529 I530 V531 | D527-A529 PolarHBondContact O-N 3.39Å; D527-A529 VanDerWaalsContact O-N 3.16Å; D527-A529 WeakPolarHBondContact OD1-CB 3.49Å; D527-A529 PolarHBondContact OD1-N 3.01Å; D527-I530 HydrophobicContact CB-CD1 3.94Å; D527-I530 HydrophobicContact CB-CG1 4.04Å; D527-I530 WeakPolarHBondContact O-CB 3.36Å; D527-I530 PolarHBondContact O-N 3.28Å; D527-V531 PolarHBondContact O-N 2.94Å | ||
| 528 | N | 80.9 | Confident | 81.9 | Confident | 130 Ų | 130 | 79.1 Ų | 79.1 | 70% | 0.695 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -53.9 | -33.1 | 174 | -73.3 | -23 | 0 | 0 | 0 | 111.5 | I530 V531 V532 | N528-I530 VanDerWaalsContact C-N 3.3Å; N528-I530 PolarHBondContact O-N 2.72Å; N528-V531 PolarHBondContact O-N 2.69Å; N528-V532 WeakPolarHBondContact O-CB 3.44Å; N528-V532 VanDerWaalsContact O-CG2 3.28Å; N528-V532 WeakPolarHBondContact O-CG2 3.45Å; N528-V532 PolarHBondContact O-N 3.21Å |
| 529 | A | 83.7 | Confident | 81.9 | Confident | 64 Ų | 64 | 78.9 Ų | 78.9 | 53% | 0.529 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -61.5 | -37.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | D527 G533 | D527-A529 PolarHBondContact O-N 3.39Å; D527-A529 VanDerWaalsContact O-N 3.16Å; D527-A529 WeakPolarHBondContact OD1-CB 3.49Å; D527-A529 PolarHBondContact OD1-N 3.01Å; A529-G533 PolarHBondContact O-N 3.04Å |
| 530 | I | 85.7 | Confident | 81.6 | Confident | 89 Ų | 89 | 83.4 Ų | 83.4 | 46% | 0.456 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -69.7 | -42.5 | 177.9 | -64.3 | 170.5 | 0 | 0 | 0 | 110.2 | F494 D527 N528 G533 K534 | F494-I530 HydrophobicContact CE1-CG2 3.89Å; F494-I530 HydrophobicContact CZ-CG2 4.11Å; D527-I530 HydrophobicContact CB-CD1 3.94Å; D527-I530 HydrophobicContact CB-CG1 4.04Å; D527-I530 WeakPolarHBondContact O-CB 3.36Å; D527-I530 PolarHBondContact O-N 3.28Å; N528-I530 VanDerWaalsContact C-N 3.3Å; N528-I530 PolarHBondContact O-N 2.72Å; I530-G533 PolarHBondContact O-N 2.97Å; I530-K534 VanDerWaalsContact O-CB 3.31Å; I530-K534 WeakPolarHBondContact O-CB 3.32Å; I530-K534 PolarHBondContact O-N 2.82Å |
| 531 | V | 85.9 | Confident | 81.6 | Confident | 22 Ų | 22 | 81.4 Ų | 81.4 | 13% | 0.133 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -66 | -45.2 | 179.2 | -177.6 | 0 | 0 | 0 | 0 | 110.7 | F494 L512 V516 L526 D527 N528 K534 A535 | F494-V531 HydrophobicContact CZ-CG2 4.48Å; L512-V531 HydrophobicContact CD2-CG1 3.73Å; V516-V531 HydrophobicContact CG2-CG1 4.03Å; V516-V531 HydrophobicContact CG2-CG2 4.16Å; L526-V531 HydrophobicContact CB-CG2 4.33Å; D527-V531 PolarHBondContact O-N 2.94Å; N528-V531 PolarHBondContact O-N 2.69Å; V531-K534 WeakPolarHBondContact O-CB 3.24Å; V531-K534 PolarHBondContact O-N 3.38Å; V531-A535 PolarHBondContact O-N 3.29Å; V531-A535 VanDerWaalsContact O-N 3.1Å |
| 532 | V | 84.8 | Confident | 82 | Confident | 90 Ų | 90 | 80.5 Ų | 80.5 | 55% | 0.545 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.4 | -46.6 | 176.1 | 173.5 | 0 | 0 | 0 | 0 | 110.7 | N528 K534 A535 V536 | N528-V532 WeakPolarHBondContact O-CB 3.44Å; N528-V532 VanDerWaalsContact O-CG2 3.28Å; N528-V532 WeakPolarHBondContact O-CG2 3.45Å; N528-V532 PolarHBondContact O-N 3.21Å; V532-K534 PolarHBondContact O-N 3.17Å; V532-A535 PolarHBondContact O-N 2.84Å; V532-V536 HydrophobicContact CG1-CG2 4.28Å; V532-V536 WeakPolarHBondContact O-CG2 3.5Å; V532-V536 PolarHBondContact O-N 3.08Å |
| 533 | G | 86.3 | Confident | 82.4 | Confident | 51 Ų | 51 | 83.6 Ų | 83.6 | 53% | 0.526 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.7 | -16 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | A529 I530 | A529-G533 PolarHBondContact O-N 3.04Å; I530-G533 PolarHBondContact O-N 2.97Å |
| 534 | K | 84.9 | Confident | 82.9 | Confident | 63 Ų | 63 | 79.2 Ų | 79.2 | 27% | 0.274 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -87.1 | -27.1 | 172.1 | -167.5 | 62.3 | 170.9 | 172.8 | 0 | 112.6 | F494 H495 Y497 L512 I530 V531 V532 | F494-K534 HydrophobicContact CE1-CG 4.36Å; F494-K534 HydrophobicContact CE2-CG 4.25Å; F494-K534 HydrophobicContact CZ-CB 3.97Å; F494-K534 HydrophobicContact CZ-CG 3.93Å; F494-K534 WeakPolarHBondContact O-CE 3.42Å; H495-K534 PolarHBondContact O-NZ 2.83Å; Y497-K534 WeakPolarHBondContact O-CE 3.26Å; Y497-K534 PolarHBondContact O-NZ 2.66Å; L512-K534 HydrophobicContact CD1-CB 4.22Å; L512-K534 HydrophobicContact CD1-CG 3.63Å; I530-K534 VanDerWaalsContact O-CB 3.31Å; I530-K534 WeakPolarHBondContact O-CB 3.32Å; I530-K534 PolarHBondContact O-N 2.82Å; V531-K534 WeakPolarHBondContact O-CB 3.24Å; V531-K534 PolarHBondContact O-N 3.38Å; V532-K534 PolarHBondContact O-N 3.17Å |
| 535 | A | 83.6 | Confident | 83.1 | Confident | 42 Ų | 42 | 82.7 Ų | 82.7 | 35% | 0.347 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -83.1 | -33.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | L512 V531 V532 | L512-A535 HydrophobicContact CD2-CB 4.11Å; V531-A535 PolarHBondContact O-N 3.29Å; V531-A535 VanDerWaalsContact O-N 3.1Å; V532-A535 PolarHBondContact O-N 2.84Å |
| 536 | V | 81.5 | Confident | 83.6 | Confident | 163 Ų | 163 | 77.2 Ų | 77.2 | 99% | 0.988 | 47% | 0.474 | S | S | * | . | trans | -74.8 | 0 | 168.7 | 178.3 | 0 | 0 | 0 | 0 | 109.4 | V532 | V532-V536 HydrophobicContact CG1-CG2 4.28Å; V532-V536 WeakPolarHBondContact O-CG2 3.5Å; V532-V536 PolarHBondContact O-N 3.08Å |
Retrieved 536 of 536 residues in 235.6 ms
(Link to these results)