| 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 | 45.5 | Very low | 59.6 | Low | 243 Ų | 243 | 91.1 Ų | 91.1 | 100% | 1.197 | 51% | 0.508 | S | S | * | . | 0 | 106.4 | 0 | -71.7 | 171.3 | 177.8 | 0 | 0 | 107.8 | S3 | M1-S3 PolarHBondContact O-N 2.8Å; M1-S3 VanDerWaalsContact O-N 3.13Å | |||
| 2 | T | 52.5 | Low | 59.5 | Low | 93 Ų | 93 | 88.3 Ų | 88.3 | 57% | 0.571 | 50% | 0.495 | S | S | * | . | trans | -64.8 | 110.6 | 173.3 | 4.2 | 0 | 0 | 0 | 0 | 107.6 | D6 | T2-D6 HydrophobicContact CG2-CB 4.18Å; T2-D6 WeakPolarHBondContact CG2-OD1 3.33Å | ||
| 3 | S | 62 | Low | 59.5 | Low | 72 Ų | 72 | 87.3 Ų | 87.3 | 50% | 0.503 | 48% | 0.479 | S | S | . | . | trans | -53.9 | 141.6 | 175.1 | 170.5 | 0 | 0 | 0 | 0 | 109.1 | M1 C5 D6 Q7 | M1-S3 PolarHBondContact O-N 2.8Å; M1-S3 VanDerWaalsContact O-N 3.13Å; S3-C5 PolarHBondContact O-N 2.9Å; S3-C5 PolarHBondContact OG-N 3Å; S3-D6 WeakPolarHBondContact O-CB 3.44Å; S3-D6 PolarHBondContact O-N 3.47Å; S3-Q7 PolarHBondContact O-N 3.45Å | ||
| 4 | T | 66 | Low | 59.4 | Low | 97 Ų | 97 | 86.8 Ų | 86.8 | 60% | 0.595 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -48.5 | -27.4 | 174.8 | -23.8 | 0 | 0 | 0 | 0 | 111.7 | V8 | T4-V8 VanDerWaalsContact O-CG2 3.31Å; T4-V8 WeakPolarHBondContact O-CG2 3.45Å; T4-V8 PolarHBondContact O-N 2.95Å; T4-V8 VanDerWaalsContact O-N 3.1Å |
| 5 | C | 59.6 | Low | 59 | Low | 17 Ų | 17 | 86.2 Ų | 86.2 | 12% | 0.115 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -68.4 | -37.8 | 172.9 | -81.7 | 0 | 0 | 0 | 0 | 116.2 | S3 Q7 V8 F9 L32 C33 | S3-C5 PolarHBondContact O-N 2.9Å; S3-C5 PolarHBondContact OG-N 3Å; C5-Q7 VanDerWaalsContact C-N 3.3Å; C5-V8 PolarHBondContact O-N 3.22Å; C5-F9 WeakPolarHBondContact O-CB 3.46Å; C5-F9 PolarHBondContact O-N 3.25Å; C5-L32 PolarHBondContact SG-O 2.84Å; C5-C33 WeakPolarHBondContact CA-SG 3.42Å; C5-C33 HydrophobicContact CB-CB 3.82Å; C5-C33 WeakPolarHBondContact CB-SG 3.19Å; C5-C33 WeakPolarHBondContact SG-CA 3.46Å; C5-C33 WeakPolarHBondContact SG-CB 3.26Å; C5-C33 PolarHBondContact SG-N 3.47Å; C5-C33 CovalentContact SG-SG 2.04Å; C5-C33 PolarHBondContact SG-SG 2.86Å |
| 6 | D | 59.1 | Low | 58.6 | Low | 63 Ų | 63 | 93.6 Ų | 93.6 | 34% | 0.337 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.5 | -36.7 | 177 | -163.1 | -105.4 | 0 | 0 | 0 | 110.7 | T2 S3 F9 K10 | T2-D6 HydrophobicContact CG2-CB 4.18Å; T2-D6 WeakPolarHBondContact CG2-OD1 3.33Å; S3-D6 WeakPolarHBondContact O-CB 3.44Å; S3-D6 PolarHBondContact O-N 3.47Å; D6-F9 PolarHBondContact O-N 2.83Å; D6-K10 WeakPolarHBondContact O-CB 3.24Å; D6-K10 WeakPolarHBondContact O-CG 3.48Å; D6-K10 PolarHBondContact O-N 2.88Å; D6-K10 VanDerWaalsContact OD1-CE 3.27Å; D6-K10 WeakPolarHBondContact OD1-CE 3.31Å; D6-K10 IonicContact OD1-NZ 2.74Å; D6-K10 PolarHBondContact OD1-NZ 2.99Å |
| 7 | Q | 62.9 | Low | 58.5 | Low | 124 Ų | 124 | 92.2 Ų | 92.2 | 58% | 0.579 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -65.1 | -47.1 | 174.4 | -64.6 | -104.3 | 79.1 | 0 | 0 | 111.4 | S3 C5 F9 K10 A11 | S3-Q7 PolarHBondContact O-N 3.45Å; C5-Q7 VanDerWaalsContact C-N 3.3Å; Q7-F9 VanDerWaalsContact C-N 3.33Å; Q7-K10 PolarHBondContact O-N 3.14Å; Q7-A11 WeakPolarHBondContact O-CB 3.27Å; Q7-A11 PolarHBondContact O-N 2.98Å |
| 8 | V | 62.9 | Low | 58.1 | Low | 41 Ų | 41 | 91.5 Ų | 91.5 | 25% | 0.248 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -66.5 | -37.1 | 175.8 | 173.2 | 0 | 0 | 0 | 0 | 111.1 | T4 C5 A11 V12 V29 L32 | T4-V8 VanDerWaalsContact O-CG2 3.31Å; T4-V8 WeakPolarHBondContact O-CG2 3.45Å; T4-V8 PolarHBondContact O-N 2.95Å; T4-V8 VanDerWaalsContact O-N 3.1Å; C5-V8 PolarHBondContact O-N 3.22Å; V8-A11 PolarHBondContact O-N 3.05Å; V8-V12 HydrophobicContact CG1-CG2 4.27Å; V8-V12 WeakPolarHBondContact O-CB 3.32Å; V8-V12 WeakPolarHBondContact O-CG2 3.4Å; V8-V12 PolarHBondContact O-N 2.88Å; V8-V29 HydrophobicContact CG1-CG1 4.19Å; V8-V29 HydrophobicContact CG1-CG2 4.03Å; V8-L32 HydrophobicContact CB-CD2 4.49Å; V8-L32 HydrophobicContact CG2-CD2 3.86Å |
| 9 | F | 60.8 | Low | 57.7 | Low | 28 Ų | 28 | 89.7 Ų | 89.7 | 12% | 0.123 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -62.5 | -50.9 | 175.8 | -165.4 | -88.5 | 0 | 0 | 0 | 109.9 | C5 D6 Q7 A11 V12 Y13 P22 A39 | C5-F9 WeakPolarHBondContact O-CB 3.46Å; C5-F9 PolarHBondContact O-N 3.25Å; D6-F9 PolarHBondContact O-N 2.83Å; Q7-F9 VanDerWaalsContact C-N 3.33Å; F9-A11 VanDerWaalsContact C-N 3.29Å; F9-A11 PolarHBondContact O-N 2.92Å; F9-V12 PolarHBondContact O-N 2.86Å; F9-V12 VanDerWaalsContact O-N 3.15Å; F9-Y13 HydrophobicContact CD1-CD2 4.3Å; F9-Y13 HydrophobicContact CD1-CG 4.09Å; F9-Y13 HydrophobicContact CE1-CD1 4.14Å; F9-Y13 AromaticContact CE1-CD2 3.35Å; F9-Y13 HydrophobicContact CE1-CD2 3.35Å; F9-Y13 AromaticContact CE1-CE2 3.92Å; F9-Y13 HydrophobicContact CE1-CE2 3.92Å; F9-Y13 AromaticContact CE1-CG 3.48Å; F9-Y13 HydrophobicContact CE1-CG 3.48Å; F9-Y13 VanDerWaalsContact CE1-CG 3.48Å; F9-Y13 HydrophobicContact CE2-CD2 4.4Å; F9-Y13 AromaticContact CZ-CD2 3.39Å; F9-Y13 HydrophobicContact CZ-CD2 3.39Å; F9-Y13 AromaticContact CZ-CE2 3.84Å; F9-Y13 HydrophobicContact CZ-CE2 3.84Å; F9-Y13 HydrophobicContact CZ-CG 4.01Å; F9-Y13 WeakPolarHBondContact O-CA 3.48Å; F9-Y13 WeakPolarHBondContact O-CB 3.4Å; F9-Y13 PolarHBondContact O-N 3.4Å; F9-P22 HydrophobicContact CD2-CG 3.5Å; F9-P22 VanDerWaalsContact CD2-CG 3.5Å; F9-P22 HydrophobicContact CE2-CG 3.68Å; F9-A39 HydrophobicContact CD1-CB 4.31Å; F9-A39 HydrophobicContact CD2-CB 4.44Å; F9-A39 HydrophobicContact CE1-CB 3.55Å; F9-A39 HydrophobicContact CE2-CB 3.69Å; F9-A39 HydrophobicContact CZ-CB 3.2Å |
| 10 | K | 61.4 | Low | 57.5 | Low | 137 Ų | 137 | 89.9 Ų | 89.9 | 60% | 0.596 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -61.6 | -33.6 | 176.8 | -75.6 | 172.7 | 178.5 | 154.1 | 0 | 113.9 | D6 Q7 V12 | D6-K10 WeakPolarHBondContact O-CB 3.24Å; D6-K10 WeakPolarHBondContact O-CG 3.48Å; D6-K10 PolarHBondContact O-N 2.88Å; D6-K10 VanDerWaalsContact OD1-CE 3.27Å; D6-K10 WeakPolarHBondContact OD1-CE 3.31Å; D6-K10 IonicContact OD1-NZ 2.74Å; D6-K10 PolarHBondContact OD1-NZ 2.99Å; Q7-K10 PolarHBondContact O-N 3.14Å; K10-V12 VanDerWaalsContact C-N 3.34Å |
| 11 | A | 62.8 | Low | 57.6 | Low | 87 Ų | 87 | 85.9 Ų | 85.9 | 72% | 0.719 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -73.7 | -24.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q7 V8 F9 | Q7-A11 WeakPolarHBondContact O-CB 3.27Å; Q7-A11 PolarHBondContact O-N 2.98Å; V8-A11 PolarHBondContact O-N 3.05Å; F9-A11 VanDerWaalsContact C-N 3.29Å; F9-A11 PolarHBondContact O-N 2.92Å |
| 12 | V | 59.1 | Low | 58.1 | Low | 58 Ų | 58 | 74.5 Ų | 74.5 | 35% | 0.352 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -108.4 | -23.6 | -175.1 | 180 | 0 | 0 | 0 | 0 | 112.2 | V8 F9 K10 N14 P22 | V8-V12 HydrophobicContact CG1-CG2 4.27Å; V8-V12 WeakPolarHBondContact O-CB 3.32Å; V8-V12 WeakPolarHBondContact O-CG2 3.4Å; V8-V12 PolarHBondContact O-N 2.88Å; F9-V12 PolarHBondContact O-N 2.86Å; F9-V12 VanDerWaalsContact O-N 3.15Å; K10-V12 VanDerWaalsContact C-N 3.34Å; V12-N14 PolarHBondContact O-N 3.43Å; V12-P22 HydrophobicContact CG1-CB 4.15Å |
| 13 | Y | 58.9 | Low | 58.2 | Low | 75 Ų | 75 | 70.4 Ų | 70.4 | 29% | 0.294 | 38% | 0.38 | S | S | . | . | trans | -77.5 | 106.7 | -177.2 | -174.9 | -102.2 | 0 | 0 | 0 | 110 | F9 P15 | F9-Y13 HydrophobicContact CD1-CD2 4.3Å; F9-Y13 HydrophobicContact CD1-CG 4.09Å; F9-Y13 HydrophobicContact CE1-CD1 4.14Å; F9-Y13 AromaticContact CE1-CD2 3.35Å; F9-Y13 HydrophobicContact CE1-CD2 3.35Å; F9-Y13 AromaticContact CE1-CE2 3.92Å; F9-Y13 HydrophobicContact CE1-CE2 3.92Å; F9-Y13 AromaticContact CE1-CG 3.48Å; F9-Y13 HydrophobicContact CE1-CG 3.48Å; F9-Y13 VanDerWaalsContact CE1-CG 3.48Å; F9-Y13 HydrophobicContact CE2-CD2 4.4Å; F9-Y13 AromaticContact CZ-CD2 3.39Å; F9-Y13 HydrophobicContact CZ-CD2 3.39Å; F9-Y13 AromaticContact CZ-CE2 3.84Å; F9-Y13 HydrophobicContact CZ-CE2 3.84Å; F9-Y13 HydrophobicContact CZ-CG 4.01Å; F9-Y13 WeakPolarHBondContact O-CA 3.48Å; F9-Y13 WeakPolarHBondContact O-CB 3.4Å; F9-Y13 PolarHBondContact O-N 3.4Å; Y13-P15 HydrophobicContact CE1-CB 4.05Å | ||
| 14 | N | 57.7 | Low | 57.9 | Low | 80 Ų | 80 | 71.3 Ų | 71.3 | 43% | 0.428 | 38% | 0.383 | S | S | . | . | trans | -81.5 | 121.8 | 160 | -177 | -6.1 | 0 | 0 | 0 | 107.2 | V12 Y16 D17 | V12-N14 PolarHBondContact O-N 3.43Å; N14-Y16 PolarHBondContact O-N 2.87Å; N14-Y16 VanDerWaalsContact OD1-CD2 3.3Å; N14-Y16 WeakPolarHBondContact OD1-CD2 3.41Å; N14-Y16 PolarHBondContact OD1-N 3.49Å; N14-Y16 VanDerWaalsContact OD1-N 3.12Å; N14-D17 HydrophobicContact CB-CB 3.91Å; N14-D17 WeakPolarHBondContact O-CA 3.46Å; N14-D17 PolarHBondContact O-N 3.21Å | ||
| 15 | P | 54.5 | Low | 57.5 | Low | 78 Ų | 78 | 69.6 Ų | 69.6 | 51% | 0.506 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -17.8 | 178.1 | 24.5 | -34.7 | 0 | 0 | 0 | 113.8 | Y13 | Y13-P15 HydrophobicContact CE1-CB 4.05Š|
| 16 | Y | 52.4 | Low | 57.5 | Low | 205 Ų | 205 | 73.6 Ų | 73.6 | 80% | 0.804 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | -15 | 172.9 | -60.7 | -74 | 0 | 0 | 0 | 113.4 | N14 L18 | N14-Y16 PolarHBondContact O-N 2.87Å; N14-Y16 VanDerWaalsContact OD1-CD2 3.3Å; N14-Y16 WeakPolarHBondContact OD1-CD2 3.41Å; N14-Y16 PolarHBondContact OD1-N 3.49Å; N14-Y16 VanDerWaalsContact OD1-N 3.12Å; Y16-L18 VanDerWaalsContact C-N 3.34Å; Y16-L18 PolarHBondContact O-N 2.93Å |
| 17 | D | 56 | Low | 57.5 | Low | 70 Ų | 70 | 75.9 Ų | 75.9 | 37% | 0.374 | 41% | 0.406 | S | S | . | . | trans | -96.7 | 62.9 | 177.5 | -149.9 | -61.1 | 0 | 0 | 0 | 110.2 | N14 A19 F20 | N14-D17 HydrophobicContact CB-CB 3.91Å; N14-D17 WeakPolarHBondContact O-CA 3.46Å; N14-D17 PolarHBondContact O-N 3.21Å; D17-A19 PolarHBondContact O-N 2.95Å; D17-F20 PolarHBondContact O-N 2.65Å; D17-F20 WeakPolarHBondContact OD1-CB 2.94Å; D17-F20 PolarHBondContact OD1-N 3.45Å | ||
| 18 | L | 51.2 | Low | 57.4 | Low | 79 Ų | 79 | 72.6 Ų | 72.6 | 41% | 0.414 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | 9.4 | 174 | -76.8 | 143.2 | 0 | 0 | 0 | 113 | Y16 V43 | Y16-L18 VanDerWaalsContact C-N 3.34Å; Y16-L18 PolarHBondContact O-N 2.93Å; L18-V43 WeakPolarHBondContact O-CG1 3.42Å |
| 19 | A | 52 | Low | 57.2 | Low | 57 Ų | 57 | 71.4 Ų | 71.4 | 47% | 0.471 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | -19.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | D17 | D17-A19 PolarHBondContact O-N 2.95Š|
| 20 | F | 53.7 | Low | 57.1 | Low | 94 Ų | 94 | 76.6 Ų | 76.6 | 41% | 0.412 | 42% | 0.417 | S | S | . | . | trans | -98.2 | 104.8 | -172 | -118.3 | -112.5 | 0 | 0 | 0 | 112.5 | D17 P22 T25 | D17-F20 PolarHBondContact O-N 2.65Å; D17-F20 WeakPolarHBondContact OD1-CB 2.94Å; D17-F20 PolarHBondContact OD1-N 3.45Å; F20-P22 WeakPolarHBondContact O-CD 3.32Å; F20-T25 HydrophobicContact CD1-CG2 4.07Å; F20-T25 WeakPolarHBondContact CD1-OG1 3.46Å; F20-T25 HydrophobicContact CD2-CG2 4.26Å; F20-T25 HydrophobicContact CE1-CG2 3.67Å; F20-T25 WeakPolarHBondContact CE1-OG1 3.23Å; F20-T25 HydrophobicContact CE2-CG2 3.84Å; F20-T25 HydrophobicContact CG-CG2 4.35Å; F20-T25 HydrophobicContact CZ-CG2 3.53Å | ||
| 21 | C | 58 | Low | 56.9 | Low | 6 Ų | 6 | 81.2 Ų | 81.2 | 4% | 0.041 | 43% | 0.431 | C | S | . | . | trans | -81.2 | 102.8 | 156.3 | -92.7 | 0 | 0 | 0 | 0 | 109.1 | C23 T24 T25 C40 | C21-C23 PolarHBondContact O-N 2.82Å; C21-C23 VanDerWaalsContact O-N 3.08Å; C21-T24 HydrophobicContact CB-CG2 3.94Å; C21-T24 WeakPolarHBondContact CB-OG1 3.32Å; C21-T24 PolarHBondContact O-N 3.28Å; C21-T24 PolarHBondContact O-OG1 2.9Å; C21-T25 PolarHBondContact O-N 3.27Å; C21-T25 VanDerWaalsContact O-N 3.13Å; C21-T25 PolarHBondContact O-OG1 2.82Å; C21-C40 VanDerWaalsContact CA-SG 3.5Å; C21-C40 HydrophobicContact CB-CB 4.23Å; C21-C40 WeakPolarHBondContact CB-SG 3.43Å; C21-C40 WeakPolarHBondContact SG-CA 3.47Å; C21-C40 WeakPolarHBondContact SG-CB 3.3Å; C21-C40 CovalentContact SG-SG 2.01Å; C21-C40 PolarHBondContact SG-SG 2.95Å | ||
| 22 | P | 55.8 | Low | 56.7 | Low | 4 Ų | 4 | 81.3 Ų | 81.3 | 3% | 0.026 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -61.5 | -24.9 | -178 | 27 | -35.8 | 0 | 0 | 0 | 111.9 | F9 V12 F20 T24 K26 V29 | F9-P22 HydrophobicContact CD2-CG 3.5Å; F9-P22 VanDerWaalsContact CD2-CG 3.5Å; F9-P22 HydrophobicContact CE2-CG 3.68Å; V12-P22 HydrophobicContact CG1-CB 4.15Å; F20-P22 WeakPolarHBondContact O-CD 3.32Å; P22-T24 VanDerWaalsContact C-N 3.29Å; P22-T24 PolarHBondContact O-N 3.35Å; P22-K26 PolarHBondContact O-N 3.28Å; P22-K26 VanDerWaalsContact O-N 3.1Å; P22-V29 HydrophobicContact CB-CG1 4.17Å; P22-V29 WeakPolarHBondContact O-CB 3.15Å |
| 23 | C | 55.6 | Low | 56.6 | Low | 7 Ų | 7 | 79.9 Ų | 79.9 | 5% | 0.047 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -71.8 | -16.1 | 173.5 | 63.4 | 0 | 0 | 0 | 0 | 114 | C21 R30 C40 | C21-C23 PolarHBondContact O-N 2.82Å; C21-C23 VanDerWaalsContact O-N 3.08Å; C23-R30 VanDerWaalsContact O-CB 3.24Å; C23-R30 WeakPolarHBondContact O-CB 3.27Å; C23-R30 VanDerWaalsContact O-CD 3.29Å; C23-R30 WeakPolarHBondContact O-CD 3.29Å; C23-R30 WeakPolarHBondContact O-CG 3.38Å; C23-C40 PolarHBondContact SG-SG 2.77Å |
| 24 | T | 55.6 | Low | 56.5 | Low | 90 Ų | 90 | 78 Ų | 78 | 55% | 0.552 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -101.9 | -26.6 | 175 | 61.3 | 0 | 0 | 0 | 0 | 112.8 | C21 P22 | C21-T24 HydrophobicContact CB-CG2 3.94Å; C21-T24 WeakPolarHBondContact CB-OG1 3.32Å; C21-T24 PolarHBondContact O-N 3.28Å; C21-T24 PolarHBondContact O-OG1 2.9Å; P22-T24 VanDerWaalsContact C-N 3.29Å; P22-T24 PolarHBondContact O-N 3.35Å |
| 25 | T | 57.3 | Low | 56.3 | Low | 62 Ų | 62 | 85 Ų | 85 | 38% | 0.38 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -102.2 | -25.1 | -172.6 | 45.6 | 0 | 0 | 0 | 0 | 115 | F20 C21 | F20-T25 HydrophobicContact CD1-CG2 4.07Å; F20-T25 WeakPolarHBondContact CD1-OG1 3.46Å; F20-T25 HydrophobicContact CD2-CG2 4.26Å; F20-T25 HydrophobicContact CE1-CG2 3.67Å; F20-T25 WeakPolarHBondContact CE1-OG1 3.23Å; F20-T25 HydrophobicContact CE2-CG2 3.84Å; F20-T25 HydrophobicContact CG-CG2 4.35Å; F20-T25 HydrophobicContact CZ-CG2 3.53Å; C21-T25 PolarHBondContact O-N 3.27Å; C21-T25 VanDerWaalsContact O-N 3.13Å; C21-T25 PolarHBondContact O-OG1 2.82Å |
| 26 | K | 59.4 | Low | 56.3 | Low | 100 Ų | 100 | 86 Ų | 86 | 44% | 0.435 | 44% | 0.444 | S | S | . | . | trans | -110.5 | 115.4 | 176 | -75.2 | -175.1 | 179.2 | 175.3 | 0 | 111.2 | P22 G28 V29 R30 | P22-K26 PolarHBondContact O-N 3.28Å; P22-K26 VanDerWaalsContact O-N 3.1Å; K26-G28 PolarHBondContact O-N 3.36Å; K26-G28 VanDerWaalsContact O-N 3.12Å; K26-V29 HydrophobicContact CB-CB 4.2Å; K26-V29 HydrophobicContact CB-CG2 3.79Å; K26-V29 HydrophobicContact CD-CG2 4.36Å; K26-V29 PolarHBondContact O-N 2.85Å; K26-R30 PolarHBondContact O-N 3.39Å; K26-R30 VanDerWaalsContact O-N 3.1Å | ||
| 27 | P | 58.7 | Low | 56.7 | Low | 111 Ų | 111 | 77.3 Ų | 77.3 | 72% | 0.721 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -59.2 | -29 | -177.5 | 20.1 | -30.2 | 0 | 0 | 0 | 113.5 | ||
| 28 | G | 61.8 | Low | 56.9 | Low | 56 Ų | 56 | 78.6 Ų | 78.6 | 58% | 0.577 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -69.9 | -36.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | K26 | K26-G28 PolarHBondContact O-N 3.36Å; K26-G28 VanDerWaalsContact O-N 3.12Å |
| 29 | V | 58.3 | Low | 57.2 | Low | 16 Ų | 16 | 76.1 Ų | 76.1 | 10% | 0.097 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -79.1 | -29.8 | -179.7 | -174.7 | 0 | 0 | 0 | 0 | 111 | V8 P22 K26 R31 L32 C33 | V8-V29 HydrophobicContact CG1-CG1 4.19Å; V8-V29 HydrophobicContact CG1-CG2 4.03Å; P22-V29 HydrophobicContact CB-CG1 4.17Å; P22-V29 WeakPolarHBondContact O-CB 3.15Å; K26-V29 HydrophobicContact CB-CB 4.2Å; K26-V29 HydrophobicContact CB-CG2 3.79Å; K26-V29 HydrophobicContact CD-CG2 4.36Å; K26-V29 PolarHBondContact O-N 2.85Å; V29-R31 VanDerWaalsContact C-N 3.3Å; V29-R31 PolarHBondContact O-N 2.64Å; V29-L32 PolarHBondContact O-N 3.16Å; V29-L32 VanDerWaalsContact O-N 3.15Å; V29-C33 PolarHBondContact O-N 2.92Å |
| 30 | R | 59.1 | Low | 57.7 | Low | 136 Ų | 136 | 74.2 Ų | 74.2 | 51% | 0.513 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -61.3 | -36 | 175.4 | -162.2 | 163.9 | -163.6 | -91.2 | 7.7 | 113.1 | C23 K26 G34 | C23-R30 VanDerWaalsContact O-CB 3.24Å; C23-R30 WeakPolarHBondContact O-CB 3.27Å; C23-R30 VanDerWaalsContact O-CD 3.29Å; C23-R30 WeakPolarHBondContact O-CD 3.29Å; C23-R30 WeakPolarHBondContact O-CG 3.38Å; K26-R30 PolarHBondContact O-N 3.39Å; K26-R30 VanDerWaalsContact O-N 3.1Å; R30-G34 PolarHBondContact O-N 2.79Å |
| 31 | R | 58 | Low | 58.3 | Low | 234 Ų | 234 | 74 Ų | 74 | 88% | 0.883 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -72.5 | -35.4 | 173.5 | -75.4 | -170.2 | 179.7 | -132.6 | 2.1 | 112.5 | V29 | V29-R31 VanDerWaalsContact C-N 3.3Å; V29-R31 PolarHBondContact O-N 2.64Å |
| 32 | L | 57.7 | Low | 58.8 | Low | 89 Ų | 89 | 77.6 Ų | 77.6 | 47% | 0.466 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -74.1 | -40 | -177.5 | -160.7 | 73.8 | 0 | 0 | 0 | 111.9 | C5 V8 V29 | C5-L32 PolarHBondContact SG-O 2.84Å; V8-L32 HydrophobicContact CB-CD2 4.49Å; V8-L32 HydrophobicContact CG2-CD2 3.86Å; V29-L32 PolarHBondContact O-N 3.16Å; V29-L32 VanDerWaalsContact O-N 3.15Å |
| 33 | C | 57.4 | Low | 59.2 | Low | 28 Ų | 28 | 78 Ų | 78 | 19% | 0.189 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -104.8 | -2.8 | -166.8 | -54.8 | 0 | 0 | 0 | 0 | 115.6 | C5 V29 | C5-C33 WeakPolarHBondContact CA-SG 3.42Å; C5-C33 HydrophobicContact CB-CB 3.82Å; C5-C33 WeakPolarHBondContact CB-SG 3.19Å; C5-C33 WeakPolarHBondContact SG-CA 3.46Å; C5-C33 WeakPolarHBondContact SG-CB 3.26Å; C5-C33 PolarHBondContact SG-N 3.47Å; C5-C33 CovalentContact SG-SG 2.04Å; C5-C33 PolarHBondContact SG-SG 2.86Å; V29-C33 PolarHBondContact O-N 2.92Å |
| 34 | G | 55.7 | Low | 59.8 | Low | 37 Ų | 37 | 83.4 Ų | 83.4 | 38% | 0.381 | 46% | 0.458 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.3 | -179.1 | -172.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | R30 S36 | R30-G34 PolarHBondContact O-N 2.79Å; G34-S36 PolarHBondContact O-N 2.92Å |
| 35 | R | 55.1 | Low | 60.5 | Low | 225 Ų | 225 | 82.4 Ų | 82.4 | 85% | 0.849 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -1.3 | -168.4 | -133.1 | 169.4 | 175.6 | 176.1 | -3.4 | 115.1 | ||
| 36 | S | 54.1 | Low | 61.2 | Low | 99 Ų | 99 | 84 Ų | 84 | 69% | 0.692 | 46% | 0.461 | S | S | * | . | trans | -147 | 75.2 | -156.8 | -52.3 | 0 | 0 | 0 | 0 | 112.4 | G34 | G34-S36 PolarHBondContact O-N 2.92Š| ||
| 37 | S | 60.5 | Low | 61.7 | Low | 24 Ų | 24 | 86.5 Ų | 86.5 | 17% | 0.168 | 47% | 0.467 | C | S | . | . | trans | -80.1 | 127.7 | 156 | 64.9 | 0 | 0 | 0 | 0 | 107.8 | A39 C40 V41 | S37-A39 PolarHBondContact O-N 3.43Å; S37-A39 VanDerWaalsContact O-N 3.13Å; S37-C40 WeakPolarHBondContact O-CB 2.83Å; S37-C40 PolarHBondContact O-N 2.9Å; S37-C40 WeakPolarHBondContact OG-CB 2.94Å; S37-C40 PolarHBondContact OG-N 3.43Å; S37-C40 PolarHBondContact OG-SG 3.45Å; S37-V41 PolarHBondContact O-N 2.83Å | ||
| 38 | S | 59.3 | Low | 62.5 | Low | 97 Ų | 97 | 86 Ų | 86 | 68% | 0.678 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -52.1 | -32.4 | 172.6 | 48.6 | 0 | 0 | 0 | 0 | 111.7 | C40 V41 V42 | S38-C40 VanDerWaalsContact C-N 3.29Å; S38-C40 PolarHBondContact O-N 3.2Å; S38-V41 PolarHBondContact O-N 2.84Å; S38-V42 WeakPolarHBondContact O-CG2 3.27Å; S38-V42 PolarHBondContact O-N 2.98Å |
| 39 | A | 58.2 | Low | 63.2 | Low | 27 Ų | 27 | 85.7 Ų | 85.7 | 22% | 0.223 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -60.1 | -35.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | F9 S37 V42 V43 | F9-A39 HydrophobicContact CD1-CB 4.31Å; F9-A39 HydrophobicContact CD2-CB 4.44Å; F9-A39 HydrophobicContact CE1-CB 3.55Å; F9-A39 HydrophobicContact CE2-CB 3.69Å; F9-A39 HydrophobicContact CZ-CB 3.2Å; S37-A39 PolarHBondContact O-N 3.43Å; S37-A39 VanDerWaalsContact O-N 3.13Å; A39-V42 PolarHBondContact O-N 3.27Å; A39-V43 VanDerWaalsContact O-CG2 3.29Å; A39-V43 WeakPolarHBondContact O-CG2 2.92Å; A39-V43 PolarHBondContact O-N 2.87Å |
| 40 | C | 62.8 | Low | 64 | Low | 16 Ų | 16 | 87.3 Ų | 87.3 | 11% | 0.108 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -70 | -36.7 | 175.5 | -82.3 | 0 | 0 | 0 | 0 | 113.4 | C21 C23 S37 S38 M44 | C21-C40 VanDerWaalsContact CA-SG 3.5Å; C21-C40 HydrophobicContact CB-CB 4.23Å; C21-C40 WeakPolarHBondContact CB-SG 3.43Å; C21-C40 WeakPolarHBondContact SG-CA 3.47Å; C21-C40 WeakPolarHBondContact SG-CB 3.3Å; C21-C40 CovalentContact SG-SG 2.01Å; C21-C40 PolarHBondContact SG-SG 2.95Å; C23-C40 PolarHBondContact SG-SG 2.77Å; S37-C40 WeakPolarHBondContact O-CB 2.83Å; S37-C40 PolarHBondContact O-N 2.9Å; S37-C40 WeakPolarHBondContact OG-CB 2.94Å; S37-C40 PolarHBondContact OG-N 3.43Å; S37-C40 PolarHBondContact OG-SG 3.45Å; S38-C40 VanDerWaalsContact C-N 3.29Å; S38-C40 PolarHBondContact O-N 3.2Å; C40-M44 WeakPolarHBondContact O-CB 3.47Å; C40-M44 VanDerWaalsContact O-CG 3.29Å; C40-M44 WeakPolarHBondContact O-CG 2.87Å; C40-M44 PolarHBondContact O-N 3.13Å |
| 41 | V | 65.3 | Low | 64.6 | Low | 89 Ų | 89 | 87.1 Ų | 87.1 | 54% | 0.539 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -65.1 | -44.8 | 173.3 | -179 | 0 | 0 | 0 | 0 | 109.8 | S37 S38 V43 M44 S45 | S37-V41 PolarHBondContact O-N 2.83Å; S38-V41 PolarHBondContact O-N 2.84Å; V41-V43 PolarHBondContact O-N 3.41Å; V41-M44 PolarHBondContact O-N 2.8Å; V41-S45 WeakPolarHBondContact O-CB 3.04Å; V41-S45 PolarHBondContact O-N 2.85Å; V41-S45 PolarHBondContact O-OG 2.01Å |
| 42 | V | 68.1 | Low | 65.4 | Low | 83 Ų | 83 | 82.9 Ų | 82.9 | 50% | 0.503 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -59.1 | -46.9 | 177.5 | 170.9 | 0 | 0 | 0 | 0 | 111.4 | S38 A39 S45 L46 | S38-V42 WeakPolarHBondContact O-CG2 3.27Å; S38-V42 PolarHBondContact O-N 2.98Å; A39-V42 PolarHBondContact O-N 3.27Å; V42-S45 PolarHBondContact O-N 3.08Å; V42-L46 HydrophobicContact CG1-CD1 3.61Å; V42-L46 WeakPolarHBondContact O-CB 3.4Å; V42-L46 WeakPolarHBondContact O-CD1 3.3Å; V42-L46 PolarHBondContact O-N 3.02Å |
| 43 | V | 66.1 | Low | 66.1 | Low | 11 Ų | 11 | 84.2 Ų | 84.2 | 7% | 0.067 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -62.1 | -44.7 | 177.7 | 169.1 | 0 | 0 | 0 | 0 | 112.1 | L18 A39 V41 S45 L46 R47 | L18-V43 WeakPolarHBondContact O-CG1 3.42Å; A39-V43 VanDerWaalsContact O-CG2 3.29Å; A39-V43 WeakPolarHBondContact O-CG2 2.92Å; A39-V43 PolarHBondContact O-N 2.87Å; V41-V43 PolarHBondContact O-N 3.41Å; V43-S45 VanDerWaalsContact C-N 3.33Å; V43-S45 PolarHBondContact O-N 2.92Å; V43-L46 PolarHBondContact O-N 3.48Å; V43-R47 WeakPolarHBondContact O-CB 3.29Å; V43-R47 PolarHBondContact O-N 3.42Å |
| 44 | M | 67.4 | Low | 66.6 | Low | 122 Ų | 122 | 86.9 Ų | 86.9 | 60% | 0.601 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -62.6 | -40.9 | 176.1 | -72.8 | -68.5 | 167.9 | 0 | 0 | 111.5 | C40 V41 R47 L48 | C40-M44 WeakPolarHBondContact O-CB 3.47Å; C40-M44 VanDerWaalsContact O-CG 3.29Å; C40-M44 WeakPolarHBondContact O-CG 2.87Å; C40-M44 PolarHBondContact O-N 3.13Å; V41-M44 PolarHBondContact O-N 2.8Å; M44-R47 PolarHBondContact O-N 2.9Å; M44-L48 WeakPolarHBondContact O-CB 3.06Å; M44-L48 PolarHBondContact O-N 3.34Å |
| 45 | S | 70.5 | Confident | 67.1 | Low | 68 Ų | 68 | 88.5 Ų | 88.5 | 48% | 0.476 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -64.8 | -40.4 | 175.4 | -61.5 | 0 | 0 | 0 | 0 | 112.4 | V41 V42 V43 L48 A49 | V41-S45 WeakPolarHBondContact O-CB 3.04Å; V41-S45 PolarHBondContact O-N 2.85Å; V41-S45 PolarHBondContact O-OG 2.01Å; V42-S45 PolarHBondContact O-N 3.08Å; V43-S45 VanDerWaalsContact C-N 3.33Å; V43-S45 PolarHBondContact O-N 2.92Å; S45-L48 PolarHBondContact O-N 3.27Å; S45-A49 VanDerWaalsContact O-CB 3.26Å; S45-A49 WeakPolarHBondContact O-CB 3.14Å; S45-A49 PolarHBondContact O-N 2.82Å |
| 46 | L | 72.5 | Confident | 67.4 | Low | 97 Ų | 97 | 82.9 Ų | 82.9 | 51% | 0.508 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -66.2 | -41.9 | 175.2 | -87.7 | 145.3 | 0 | 0 | 0 | 112.1 | V42 V43 A49 A50 | V42-L46 HydrophobicContact CG1-CD1 3.61Å; V42-L46 WeakPolarHBondContact O-CB 3.4Å; V42-L46 WeakPolarHBondContact O-CD1 3.3Å; V42-L46 PolarHBondContact O-N 3.02Å; V43-L46 PolarHBondContact O-N 3.48Å; L46-A49 PolarHBondContact O-N 3.05Å; L46-A50 VanDerWaalsContact O-CB 3.23Å; L46-A50 WeakPolarHBondContact O-CB 3.46Å; L46-A50 PolarHBondContact O-N 2.89Å |
| 47 | R | 68.1 | Low | 67.7 | Low | 152 Ų | 152 | 80.4 Ų | 80.4 | 57% | 0.574 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -61.3 | -44.6 | 173.4 | -92.9 | -89.6 | -176 | 105.1 | -1 | 111.4 | V43 M44 A50 Y51 | V43-R47 WeakPolarHBondContact O-CB 3.29Å; V43-R47 PolarHBondContact O-N 3.42Å; M44-R47 PolarHBondContact O-N 2.9Å; R47-A50 PolarHBondContact O-N 3.31Å; R47-Y51 VanDerWaalsContact O-CB 3.32Å; R47-Y51 WeakPolarHBondContact O-CB 3.48Å; R47-Y51 PolarHBondContact O-N 2.86Å |
| 48 | L | 76.1 | Confident | 67.8 | Low | 101 Ų | 101 | 82.6 Ų | 82.6 | 53% | 0.529 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -65.4 | -45.9 | 177.9 | -167.8 | 65.2 | 0 | 0 | 0 | 110.4 | M44 S45 A50 Y51 W52 | M44-L48 WeakPolarHBondContact O-CB 3.06Å; M44-L48 PolarHBondContact O-N 3.34Å; S45-L48 PolarHBondContact O-N 3.27Å; L48-A50 PolarHBondContact O-N 2.93Å; L48-Y51 WeakPolarHBondContact O-CB 3.45Å; L48-Y51 PolarHBondContact O-N 3.29Å; L48-W52 PolarHBondContact O-N 3.12Å |
| 49 | A | 77.1 | Confident | 68 | Low | 49 Ų | 49 | 82.1 Ų | 82.1 | 41% | 0.405 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -60.7 | -42.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | S45 L46 Y51 W52 L53 | S45-A49 VanDerWaalsContact O-CB 3.26Å; S45-A49 WeakPolarHBondContact O-CB 3.14Å; S45-A49 PolarHBondContact O-N 2.82Å; L46-A49 PolarHBondContact O-N 3.05Å; A49-Y51 VanDerWaalsContact C-N 3.35Å; A49-W52 PolarHBondContact O-N 3.13Å; A49-L53 WeakPolarHBondContact O-CB 3.35Å; A49-L53 VanDerWaalsContact O-CG 3.27Å; A49-L53 WeakPolarHBondContact O-CG 3.24Å; A49-L53 PolarHBondContact O-N 3.3Å |
| 50 | A | 74 | Confident | 68.1 | Low | 49 Ų | 49 | 89.3 Ų | 89.3 | 41% | 0.405 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -65.5 | -38 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L46 R47 L48 L53 T54 | L46-A50 VanDerWaalsContact O-CB 3.23Å; L46-A50 WeakPolarHBondContact O-CB 3.46Å; L46-A50 PolarHBondContact O-N 2.89Å; R47-A50 PolarHBondContact O-N 3.31Å; L48-A50 PolarHBondContact O-N 2.93Å; A50-L53 PolarHBondContact O-N 3.18Å; A50-T54 VanDerWaalsContact O-CB 3.3Å; A50-T54 WeakPolarHBondContact O-CB 3.22Å; A50-T54 PolarHBondContact O-N 3.1Å; A50-T54 PolarHBondContact O-OG1 3.25Å |
| 51 | Y | 72.7 | Confident | 67.9 | Low | 133 Ų | 133 | 98 Ų | 98 | 52% | 0.522 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.8 | -47.6 | 174.6 | -178.9 | -96.6 | 0 | 0 | 0 | 110.9 | R47 L48 A49 T54 E55 | R47-Y51 VanDerWaalsContact O-CB 3.32Å; R47-Y51 WeakPolarHBondContact O-CB 3.48Å; R47-Y51 PolarHBondContact O-N 2.86Å; L48-Y51 WeakPolarHBondContact O-CB 3.45Å; L48-Y51 PolarHBondContact O-N 3.29Å; A49-Y51 VanDerWaalsContact C-N 3.35Å; Y51-T54 CarbonylContact O-C 3.59Å; Y51-T54 PolarHBondContact O-N 3.01Å; Y51-T54 VanDerWaalsContact O-N 3.16Å; Y51-E55 HydrophobicContact CD1-CG 4.4Å; Y51-E55 HydrophobicContact CE1-CG 3.95Å; Y51-E55 WeakPolarHBondContact CE1-OE2 3.29Å; Y51-E55 PolarHBondContact O-N 3.1Å |
| 52 | W | 73.8 | Confident | 67.7 | Low | 145 Ų | 145 | 97.9 Ų | 97.9 | 55% | 0.549 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.9 | -44.5 | 175 | -74.4 | 111.8 | 0 | 0 | 0 | 112.7 | L48 A49 T54 E55 E56 | L48-W52 PolarHBondContact O-N 3.12Å; A49-W52 PolarHBondContact O-N 3.13Å; W52-T54 VanDerWaalsContact C-N 3.26Å; W52-T54 PolarHBondContact O-N 2.92Å; W52-E55 PolarHBondContact O-N 3.46Å; W52-E56 WeakPolarHBondContact O-CB 3.33Å; W52-E56 PolarHBondContact O-N 3.45Å |
| 53 | L | 72.5 | Confident | 67.3 | Low | 116 Ų | 116 | 96.2 Ų | 96.2 | 61% | 0.607 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -61.8 | -36.2 | 174.9 | -75.3 | 169.3 | 0 | 0 | 0 | 111.8 | A49 A50 A57 | A49-L53 WeakPolarHBondContact O-CB 3.35Å; A49-L53 VanDerWaalsContact O-CG 3.27Å; A49-L53 WeakPolarHBondContact O-CG 3.24Å; A49-L53 PolarHBondContact O-N 3.3Å; A50-L53 PolarHBondContact O-N 3.18Å; L53-A57 WeakPolarHBondContact O-CB 2.89Å; L53-A57 PolarHBondContact O-N 3.35Å |
| 54 | T | 69.2 | Low | 66.7 | Low | 84 Ų | 84 | 101.3 Ų | 101.3 | 52% | 0.515 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -72 | -42.7 | 177.1 | -52.6 | 0 | 0 | 0 | 0 | 110.5 | A50 Y51 W52 A57 T58 | A50-T54 VanDerWaalsContact O-CB 3.3Å; A50-T54 WeakPolarHBondContact O-CB 3.22Å; A50-T54 PolarHBondContact O-N 3.1Å; A50-T54 PolarHBondContact O-OG1 3.25Å; Y51-T54 CarbonylContact O-C 3.59Å; Y51-T54 PolarHBondContact O-N 3.01Å; Y51-T54 VanDerWaalsContact O-N 3.16Å; W52-T54 VanDerWaalsContact C-N 3.26Å; W52-T54 PolarHBondContact O-N 2.92Å; T54-A57 PolarHBondContact O-N 3.12Å; T54-T58 HydrophobicContact CG2-CG2 4.46Å; T54-T58 WeakPolarHBondContact O-CB 2.96Å; T54-T58 WeakPolarHBondContact O-CG2 3.02Å; T54-T58 PolarHBondContact O-N 3.45Å; T54-T58 PolarHBondContact O-OG1 3.42Å |
| 55 | E | 65.9 | Low | 66.3 | Low | 72 Ų | 72 | 99.3 Ų | 99.3 | 34% | 0.336 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61 | -47.5 | 174.8 | -82.7 | -156 | 103.4 | 0 | 0 | 111.3 | Y51 W52 A57 T58 T59 | Y51-E55 HydrophobicContact CD1-CG 4.4Å; Y51-E55 HydrophobicContact CE1-CG 3.95Å; Y51-E55 WeakPolarHBondContact CE1-OE2 3.29Å; Y51-E55 PolarHBondContact O-N 3.1Å; W52-E55 PolarHBondContact O-N 3.46Å; E55-A57 VanDerWaalsContact C-N 3.34Å; E55-A57 PolarHBondContact O-N 3.18Å; E55-T58 VanDerWaalsContact CA-OG1 3.27Å; E55-T58 WeakPolarHBondContact CA-OG1 3.36Å; E55-T58 PolarHBondContact O-N 3.44Å; E55-T58 PolarHBondContact O-OG1 2.99Å; E55-T59 WeakPolarHBondContact O-CB 3.31Å; E55-T59 PolarHBondContact O-N 3.42Å; E55-T59 PolarHBondContact O-OG1 3.4Å |
| 56 | E | 62.4 | Low | 65.7 | Low | 106 Ų | 106 | 101.8 Ų | 101.8 | 50% | 0.495 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -60.5 | -43 | 174.5 | -77.6 | -171 | 82.9 | 0 | 0 | 111.9 | W52 T59 R60 | W52-E56 WeakPolarHBondContact O-CB 3.33Å; W52-E56 PolarHBondContact O-N 3.45Å; E56-T59 PolarHBondContact O-N 2.93Å; E56-R60 WeakPolarHBondContact O-CB 2.94Å; E56-R60 WeakPolarHBondContact O-CG 3.4Å; E56-R60 PolarHBondContact O-N 2.94Å |
| 57 | A | 60.1 | Low | 65.1 | Low | 47 Ų | 47 | 101.4 Ų | 101.4 | 39% | 0.388 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.2 | -40.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L53 T54 E55 R61 | L53-A57 WeakPolarHBondContact O-CB 2.89Å; L53-A57 PolarHBondContact O-N 3.35Å; T54-A57 PolarHBondContact O-N 3.12Å; E55-A57 VanDerWaalsContact C-N 3.34Å; E55-A57 PolarHBondContact O-N 3.18Å; A57-R61 WeakPolarHBondContact O-CG 3.49Å; A57-R61 PolarHBondContact O-N 2.93Å |
| 58 | T | 62.9 | Low | 64.3 | Low | 71 Ų | 71 | 97.1 Ų | 97.1 | 44% | 0.436 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -67 | -40.4 | 175.1 | 46.8 | 0 | 0 | 0 | 0 | 111.3 | T54 E55 R60 R61 T62 | T54-T58 HydrophobicContact CG2-CG2 4.46Å; T54-T58 WeakPolarHBondContact O-CB 2.96Å; T54-T58 WeakPolarHBondContact O-CG2 3.02Å; T54-T58 PolarHBondContact O-N 3.45Å; T54-T58 PolarHBondContact O-OG1 3.42Å; E55-T58 VanDerWaalsContact CA-OG1 3.27Å; E55-T58 WeakPolarHBondContact CA-OG1 3.36Å; E55-T58 PolarHBondContact O-N 3.44Å; E55-T58 PolarHBondContact O-OG1 2.99Å; T58-R60 PolarHBondContact O-N 3.24Å; T58-R61 PolarHBondContact O-N 2.71Å; T58-T62 PolarHBondContact O-N 2.04Å; T58-T62 PolarHBondContact O-OG1 3.3Å |
| 59 | T | 62.7 | Low | 63.1 | Low | 86 Ų | 86 | 100.3 Ų | 100.3 | 53% | 0.528 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -65.2 | -41.9 | 179.4 | -52.1 | 0 | 0 | 0 | 0 | 110.7 | E55 E56 T62 A63 | E55-T59 WeakPolarHBondContact O-CB 3.31Å; E55-T59 PolarHBondContact O-N 3.42Å; E55-T59 PolarHBondContact O-OG1 3.4Å; E56-T59 PolarHBondContact O-N 2.93Å; T59-T62 WeakPolarHBondContact CA-OG1 3.15Å; T59-T62 PolarHBondContact O-N 3.15Å; T59-T62 PolarHBondContact O-OG1 3.44Å; T59-A63 VanDerWaalsContact O-CB 3.31Å; T59-A63 WeakPolarHBondContact O-CB 3.39Å; T59-A63 PolarHBondContact O-N 2.77Å |
| 60 | R | 59.4 | Low | 61.8 | Low | 179 Ų | 179 | 104.4 Ų | 104.4 | 68% | 0.675 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -65.9 | -39.3 | 172.9 | -75.3 | -172.3 | -176.1 | -154.4 | 3.6 | 112.8 | E56 T58 A63 N64 | E56-R60 WeakPolarHBondContact O-CB 2.94Å; E56-R60 WeakPolarHBondContact O-CG 3.4Å; E56-R60 PolarHBondContact O-N 2.94Å; T58-R60 PolarHBondContact O-N 3.24Å; R60-A63 PolarHBondContact O-N 3.41Å; R60-N64 WeakPolarHBondContact O-CB 3.49Å; R60-N64 PolarHBondContact O-N 3.07Å |
| 61 | R | 59.9 | Low | 60.7 | Low | 199 Ų | 199 | 107 Ų | 107 | 75% | 0.751 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -64.6 | -41.5 | 174.7 | -78.8 | -172.4 | -167.4 | -179.6 | 5.1 | 111.8 | A57 T58 A65 | A57-R61 WeakPolarHBondContact O-CG 3.49Å; A57-R61 PolarHBondContact O-N 2.93Å; T58-R61 PolarHBondContact O-N 2.71Å; R61-A65 VanDerWaalsContact O-CB 3.24Å; R61-A65 WeakPolarHBondContact O-CB 3.27Å; R61-A65 PolarHBondContact O-N 3.15Å |
| 62 | T | 59.8 | Low | 59.2 | Low | 85 Ų | 85 | 108.6 Ų | 108.6 | 52% | 0.521 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -68.4 | -39 | 175.2 | 40.9 | 0 | 0 | 0 | 0 | 112 | T58 T59 A65 T66 | T58-T62 PolarHBondContact O-N 2.04Å; T58-T62 PolarHBondContact O-OG1 3.3Å; T59-T62 WeakPolarHBondContact CA-OG1 3.15Å; T59-T62 PolarHBondContact O-N 3.15Å; T59-T62 PolarHBondContact O-OG1 3.44Å; T62-A65 PolarHBondContact O-N 3.39Å; T62-T66 WeakPolarHBondContact O-CG2 3.41Å; T62-T66 PolarHBondContact O-N 3.01Å; T62-T66 PolarHBondContact O-OG1 3.15Å |
| 63 | A | 59.5 | Low | 58.4 | Low | 48 Ų | 48 | 106.8 Ų | 106.8 | 40% | 0.397 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -60.7 | -48 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | T59 R60 A65 T66 T67 | T59-A63 VanDerWaalsContact O-CB 3.31Å; T59-A63 WeakPolarHBondContact O-CB 3.39Å; T59-A63 PolarHBondContact O-N 2.77Å; R60-A63 PolarHBondContact O-N 3.41Å; A63-A65 VanDerWaalsContact C-N 3.34Å; A63-A65 PolarHBondContact O-N 3.31Å; A63-T66 WeakPolarHBondContact CA-OG1 3.47Å; A63-T66 PolarHBondContact O-N 3.44Å; A63-T66 PolarHBondContact O-OG1 3.38Å; A63-T67 PolarHBondContact O-N 3.1Å; A63-T67 PolarHBondContact O-OG1 2.91Å |
| 64 | N | 55.2 | Low | 57.7 | Low | 118 Ų | 118 | 106.3 Ų | 106.3 | 63% | 0.631 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -65.4 | -34.4 | 174.9 | -80.2 | 1.7 | 0 | 0 | 0 | 113 | R60 T66 T67 | R60-N64 WeakPolarHBondContact O-CB 3.49Å; R60-N64 PolarHBondContact O-N 3.07Å; N64-T66 VanDerWaalsContact C-N 3.33Å; N64-T67 WeakPolarHBondContact CA-OG1 3.4Å; N64-T67 PolarHBondContact O-OG1 3.41Å |
| 65 | A | 58.1 | Low | 57 | Low | 80 Ų | 80 | 107.6 Ų | 107.6 | 66% | 0.661 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -68.9 | -31.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | R61 T62 A63 | R61-A65 VanDerWaalsContact O-CB 3.24Å; R61-A65 WeakPolarHBondContact O-CB 3.27Å; R61-A65 PolarHBondContact O-N 3.15Å; T62-A65 PolarHBondContact O-N 3.39Å; A63-A65 VanDerWaalsContact C-N 3.34Å; A63-A65 PolarHBondContact O-N 3.31Å |
| 66 | T | 58.7 | Low | 56.5 | Low | 120 Ų | 120 | 109.6 Ų | 109.6 | 74% | 0.736 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -81.4 | -26.1 | 177.3 | 49.4 | 0 | 0 | 0 | 0 | 114.2 | T62 A63 N64 G68 | T62-T66 WeakPolarHBondContact O-CG2 3.41Å; T62-T66 PolarHBondContact O-N 3.01Å; T62-T66 PolarHBondContact O-OG1 3.15Å; A63-T66 WeakPolarHBondContact CA-OG1 3.47Å; A63-T66 PolarHBondContact O-N 3.44Å; A63-T66 PolarHBondContact O-OG1 3.38Å; N64-T66 VanDerWaalsContact C-N 3.33Å; T66-G68 VanDerWaalsContact C-N 3.33Å |
| 67 | T | 58.2 | Low | 56.2 | Low | 89 Ų | 89 | 109.9 Ų | 109.9 | 55% | 0.546 | 67% | 0.672 | S | S | . | * | H | α-helix | trans | -82.6 | -4.8 | 176.2 | 36.8 | 0 | 0 | 0 | 0 | 114.3 | A63 N64 E69 | A63-T67 PolarHBondContact O-N 3.1Å; A63-T67 PolarHBondContact O-OG1 2.91Å; N64-T67 WeakPolarHBondContact CA-OG1 3.4Å; N64-T67 PolarHBondContact O-OG1 3.41Å; T67-E69 PolarHBondContact O-N 2.74Å |
| 68 | G | 51.4 | Low | 55.9 | Low | 62 Ų | 62 | 114.1 Ų | 114.1 | 64% | 0.639 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 58.3 | 22.3 | 170 | 0 | 0 | 0 | 0 | 0 | 114.4 | T66 T70 | T66-G68 VanDerWaalsContact C-N 3.33Å; G68-T70 PolarHBondContact O-N 2.88Å; G68-T70 VanDerWaalsContact O-N 3.14Å |
| 69 | E | 51.8 | Low | 55.4 | Low | 169 Ų | 169 | 117.1 Ų | 117.1 | 79% | 0.79 | 71% | 0.71 | S | S | * | * | trans | -79.8 | 101.6 | 175.8 | -126.4 | 163.9 | 91.6 | 0 | 0 | 107.4 | T67 A71 | T67-E69 PolarHBondContact O-N 2.74Å; E69-A71 VanDerWaalsContact C-N 3.28Å; E69-A71 PolarHBondContact O-N 3.13Å | ||
| 70 | T | 50.6 | Low | 54.8 | Low | 135 Ų | 135 | 119.5 Ų | 119.5 | 83% | 0.828 | 72% | 0.724 | S | S | * | * | trans | -49.6 | 95.5 | 160.9 | 42.4 | 0 | 0 | 0 | 0 | 108.5 | G68 A72 | G68-T70 PolarHBondContact O-N 2.88Å; G68-T70 VanDerWaalsContact O-N 3.14Å; T70-A72 VanDerWaalsContact C-N 3.26Å; T70-A72 PolarHBondContact O-N 2.78Å | ||
| 71 | A | 49.2 | Very low | 54.5 | Low | 102 Ų | 102 | 114.6 Ų | 114.6 | 84% | 0.843 | 73% | 0.728 | S | S | * | * | trans | -65.8 | 96.4 | 157.8 | 0 | 0 | 0 | 0 | 0 | 106.1 | E69 | E69-A71 VanDerWaalsContact C-N 3.28Å; E69-A71 PolarHBondContact O-N 3.13Å | ||
| 72 | A | 41 | Very low | 54 | Low | 168 Ų | 168 | 106.9 Ų | 106.9 | 100% | 1.388 | 73% | 0.726 | S | S | * | * | trans | -56.1 | 0 | 163.5 | 0 | 0 | 0 | 0 | 0 | 111 | T70 | T70-A72 VanDerWaalsContact C-N 3.26Å; T70-A72 PolarHBondContact O-N 2.78Å |
Retrieved 72 of 72 residues in 355.3 ms
(Link to these results)