| 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 | 27.3 | Very low | 35.6 | Very low | 243 Ų | 243 | 117.2 Ų | 117.2 | 100% | 1.197 | 59% | 0.588 | S | S | * | * | 0 | 106.3 | 0 | -82 | 173.8 | -88.1 | 0 | 0 | 106.3 | S3 | M1-S3 PolarHBondContact O-N 2.87Å; M1-S3 VanDerWaalsContact O-N 3.14Å | |||
| 2 | R | 29.6 | Very low | 36.3 | Very low | 251 Ų | 251 | 109.3 Ų | 109.3 | 95% | 0.947 | 55% | 0.553 | S | S | * | * | trans | -63 | 115.6 | 167 | -84.8 | 179.4 | 166.7 | 170.4 | -6.1 | 105 | L4 | R2-L4 PolarHBondContact O-N 2.97Š| ||
| 3 | S | 31.5 | Very low | 36.8 | Very low | 72 Ų | 72 | 109.4 Ų | 109.4 | 50% | 0.503 | 55% | 0.554 | S | S | . | * | trans | -50.2 | 132.2 | 174.9 | -175.9 | 0 | 0 | 0 | 0 | 107.1 | M1 Q5 | M1-S3 PolarHBondContact O-N 2.87Å; M1-S3 VanDerWaalsContact O-N 3.14Å; S3-Q5 PolarHBondContact O-N 2.98Å; S3-Q5 VanDerWaalsContact OG-CG 3.28Å; S3-Q5 WeakPolarHBondContact OG-CG 3.05Å; S3-Q5 PolarHBondContact OG-N 2.94Å | ||
| 4 | L | 34 | Very low | 37.4 | Very low | 181 Ų | 181 | 110.2 Ų | 110.2 | 95% | 0.948 | 56% | 0.559 | S | S | * | * | trans | -64.7 | 27.8 | 162.4 | -89.1 | 152.9 | 0 | 0 | 0 | 110.6 | R2 N6 | R2-L4 PolarHBondContact O-N 2.97Å; L4-N6 VanDerWaalsContact C-N 3.3Å; L4-N6 PolarHBondContact O-N 3.22Å | ||
| 5 | Q | 33.9 | Very low | 37.8 | Very low | 93 Ų | 93 | 111.9 Ų | 111.9 | 44% | 0.435 | 56% | 0.564 | S | S | . | * | trans | -53.4 | 107 | 162.7 | -96 | 161 | -19.4 | 0 | 0 | 104.7 | S3 P7 S32 | S3-Q5 PolarHBondContact O-N 2.98Å; S3-Q5 VanDerWaalsContact OG-CG 3.28Å; S3-Q5 WeakPolarHBondContact OG-CG 3.05Å; S3-Q5 PolarHBondContact OG-N 2.94Å; Q5-P7 WeakPolarHBondContact O-CD 3.45Å; Q5-S32 PolarHBondContact NE2-OG 2.96Å | ||
| 6 | N | 36.7 | Very low | 38.2 | Very low | 82 Ų | 82 | 105.9 Ų | 105.9 | 44% | 0.439 | 54% | 0.536 | S | S | . | . | trans | -45.2 | 108.8 | 172.3 | -173.7 | 2.6 | 0 | 0 | 0 | 106.2 | L4 H8 N9 | L4-N6 VanDerWaalsContact C-N 3.3Å; L4-N6 PolarHBondContact O-N 3.22Å; N6-H8 PolarHBondContact O-N 3.47Å; N6-H8 VanDerWaalsContact OD1-CB 3.3Å; N6-H8 WeakPolarHBondContact OD1-CB 3.24Å; N6-H8 PolarHBondContact OD1-CD2 3.23Å; N6-H8 VanDerWaalsContact OD1-CG 3.3Å; N6-H8 PolarHBondContact OD1-N 3.4Å; N6-N9 PolarHBondContact O-N 3.28Å | ||
| 7 | P | 37 | Very low | 38.7 | Very low | 100 Ų | 100 | 103.1 Ų | 103.1 | 65% | 0.649 | 53% | 0.528 | S | S | * | . | G | 310 helix | trans | -58.7 | -15.7 | -175.8 | 23.1 | -32.4 | 0 | 0 | 0 | 110.9 | Q5 N9 | Q5-P7 WeakPolarHBondContact O-CD 3.45Å; P7-N9 VanDerWaalsContact C-N 3.26Å; P7-N9 PolarHBondContact O-N 3.19Å |
| 8 | H | 39.2 | Very low | 39 | Very low | 131 Ų | 131 | 99.3 Ų | 99.3 | 61% | 0.606 | 51% | 0.511 | S | S | * | . | G | 310 helix | trans | -70.6 | -9.1 | 175.7 | -53.9 | -52 | 0 | 0 | 0 | 115.2 | N6 | N6-H8 PolarHBondContact O-N 3.47Å; N6-H8 VanDerWaalsContact OD1-CB 3.3Å; N6-H8 WeakPolarHBondContact OD1-CB 3.24Å; N6-H8 PolarHBondContact OD1-CD2 3.23Å; N6-H8 VanDerWaalsContact OD1-CG 3.3Å; N6-H8 PolarHBondContact OD1-N 3.4Å |
| 9 | N | 36.7 | Very low | 39.3 | Very low | 63 Ų | 63 | 98.7 Ų | 98.7 | 34% | 0.337 | 52% | 0.517 | S | S | . | . | G | 310 helix | trans | -118.3 | 36.6 | -177.5 | -82.9 | 15.7 | 0 | 0 | 0 | 113 | N6 P7 W11 | N6-N9 PolarHBondContact O-N 3.28Å; P7-N9 VanDerWaalsContact C-N 3.26Å; P7-N9 PolarHBondContact O-N 3.19Å; N9-W11 HydrophobicContact CB-CE3 4.34Å; N9-W11 HydrophobicContact CB-CH2 3.53Å; N9-W11 HydrophobicContact CB-CZ2 4.28Å; N9-W11 HydrophobicContact CB-CZ3 3.53Å; N9-W11 WeakPolarHBondContact ND2-CH2 3.4Å; N9-W11 VanDerWaalsContact O-CZ3 3.24Å; N9-W11 WeakPolarHBondContact O-CZ3 3.4Å |
| 10 | C | 40.3 | Very low | 39.7 | Very low | 45 Ų | 45 | 97.3 Ų | 97.3 | 30% | 0.304 | 51% | 0.509 | S | S | . | . | trans | -93.4 | 110.5 | 170.1 | -66.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 11 | W | 45.1 | Very low | 40 | Very low | 28 Ų | 28 | 98.3 Ų | 98.3 | 11% | 0.106 | 53% | 0.525 | C | S | . | . | trans | -105.8 | 143.7 | 176.6 | -66.3 | -80.2 | 0 | 0 | 0 | 110.8 | N9 V33 L36 V38 L71 | N9-W11 HydrophobicContact CB-CE3 4.34Å; N9-W11 HydrophobicContact CB-CH2 3.53Å; N9-W11 HydrophobicContact CB-CZ2 4.28Å; N9-W11 HydrophobicContact CB-CZ3 3.53Å; N9-W11 WeakPolarHBondContact ND2-CH2 3.4Å; N9-W11 VanDerWaalsContact O-CZ3 3.24Å; N9-W11 WeakPolarHBondContact O-CZ3 3.4Å; W11-V33 WeakPolarHBondContact CZ3-O 3.26Å; W11-L36 HydrophobicContact CD2-CD1 4.45Å; W11-L36 HydrophobicContact CE3-CB 4.3Å; W11-L36 HydrophobicContact CE3-CD1 4.16Å; W11-L36 HydrophobicContact CH2-CB 4.21Å; W11-L36 HydrophobicContact CZ3-CB 4.1Å; W11-V38 HydrophobicContact CZ2-CG2 4.25Å; W11-L71 HydrophobicContact CB-CB 4.07Å; W11-L71 HydrophobicContact CG-CB 4.43Å | ||
| 12 | S | 43.7 | Very low | 40.8 | Very low | 23 Ų | 23 | 90.1 Ų | 90.1 | 16% | 0.161 | 49% | 0.491 | C | S | . | . | B | Isolated β-bridge | trans | -97.7 | 136.3 | 166.3 | 179.2 | 0 | 0 | 0 | 0 | 109.8 | I14 L71 | S12-I14 VanDerWaalsContact C-N 3.27Å; S12-I14 PolarHBondContact OG-N 3.16Å; S12-I14 VanDerWaalsContact OG-N 3.16Å; S12-I14 PolarHBondContact OG-O 2.82Å; S12-I14 VanDerWaalsContact OG-O 3.08Å; S12-L71 PolarHBondContact O-N 3.41Å |
| 13 | L | 43.7 | Very low | 41.4 | Very low | 110 Ų | 110 | 86.3 Ų | 86.3 | 58% | 0.576 | 48% | 0.484 | S | S | * | . | S | Bend | trans | -79.8 | -14.9 | 173.4 | -138.7 | 130.7 | 0 | 0 | 0 | 112 | I73 | L13-I73 HydrophobicContact CD1-CD1 3.43Å; L13-I73 VanDerWaalsContact CD1-CD1 3.43Å; L13-I73 HydrophobicContact CD1-CG1 4.45Å; L13-I73 HydrophobicContact CD2-CD1 4.2Å; L13-I73 HydrophobicContact CG-CD1 3.75Å; L13-I73 HydrophobicContact CG-CG1 4.29Å |
| 14 | I | 44.4 | Very low | 42 | Very low | 121 Ų | 121 | 87.2 Ų | 87.2 | 62% | 0.621 | 48% | 0.477 | S | S | * | . | S | Bend | trans | -97.4 | 124.9 | -180 | -57.8 | 176.1 | 0 | 0 | 0 | 107.5 | S12 P16 | S12-I14 VanDerWaalsContact C-N 3.27Å; S12-I14 PolarHBondContact OG-N 3.16Å; S12-I14 VanDerWaalsContact OG-N 3.16Å; S12-I14 PolarHBondContact OG-O 2.82Å; S12-I14 VanDerWaalsContact OG-O 3.08Å; I14-P16 WeakPolarHBondContact O-CD 3.07Å |
| 15 | E | 44.3 | Very low | 42.2 | Very low | 135 Ų | 135 | 83.5 Ų | 83.5 | 63% | 0.631 | 46% | 0.458 | S | S | * | . | trans | -61.1 | 107.3 | 166.8 | -76.5 | -177.1 | 168.4 | 0 | 0 | 109.2 | S17 I70 | E15-S17 PolarHBondContact O-N 2.87Å; E15-I70 HydrophobicContact CB-CG2 4.41Å; E15-I70 HydrophobicContact CG-CG2 3.81Å | ||
| 16 | P | 44.5 | Very low | 42.5 | Very low | 17 Ų | 17 | 87.5 Ų | 87.5 | 11% | 0.11 | 48% | 0.476 | C | S | . | . | trans | -67.2 | 123.6 | 163.8 | 31.5 | -32 | 0 | 0 | 0 | 106.8 | I14 C18 W24 I70 | I14-P16 WeakPolarHBondContact O-CD 3.07Å; P16-C18 PolarHBondContact O-N 3.25Å; P16-W24 HydrophobicContact CB-CH2 4.16Å; P16-W24 HydrophobicContact CB-CZ2 3.83Å; P16-W24 HydrophobicContact CG-CH2 3.85Å; P16-W24 HydrophobicContact CG-CZ2 3.75Å; P16-I70 HydrophobicContact CG-CD1 3.95Å; P16-I70 HydrophobicContact CG-CG1 4.09Å | ||
| 17 | S | 46 | Very low | 42.6 | Very low | 58 Ų | 58 | 90.6 Ų | 90.6 | 41% | 0.406 | 49% | 0.493 | S | S | . | . | trans | -58.9 | 132.9 | 156 | 68.6 | 0 | 0 | 0 | 0 | 106.5 | E15 S19 I20 | E15-S17 PolarHBondContact O-N 2.87Å; S17-S19 WeakPolarHBondContact CB-OG 3.28Å; S17-S19 PolarHBondContact O-N 3.27Å; S17-S19 PolarHBondContact OG-OG 2.88Å; S17-I20 PolarHBondContact O-N 2.82Å; S17-I20 VanDerWaalsContact OG-CD1 3.32Å; S17-I20 WeakPolarHBondContact OG-CD1 3.47Å; S17-I20 VanDerWaalsContact OG-CG1 3.26Å; S17-I20 WeakPolarHBondContact OG-CG1 3.4Å | ||
| 18 | C | 44.4 | Very low | 42.7 | Very low | 34 Ų | 34 | 89.4 Ų | 89.4 | 23% | 0.23 | 49% | 0.486 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | -26.2 | -179.9 | -80.8 | 0 | 0 | 0 | 0 | 112.8 | P16 I20 C44 N49 | P16-C18 PolarHBondContact O-N 3.25Å; C18-I20 PolarHBondContact O-N 3.21Å; C18-I20 VanDerWaalsContact O-N 3.16Å; C18-C44 WeakPolarHBondContact CA-SG 3.06Å; C18-C44 HydrophobicContact CB-CB 4.42Å; C18-C44 WeakPolarHBondContact CB-SG 3.4Å; C18-C44 WeakPolarHBondContact SG-CB 2.93Å; C18-C44 CovalentContact SG-SG 2.05Å; C18-C44 PolarHBondContact SG-SG 3.28Å; C18-N49 WeakPolarHBondContact CA-OD1 3.33Å; C18-N49 WeakPolarHBondContact CB-OD1 3.1Å; C18-N49 PolarHBondContact O-OD1 3.19Å |
| 19 | S | 45.4 | Very low | 42.7 | Very low | 89 Ų | 89 | 92 Ų | 92 | 62% | 0.622 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -12.1 | 173.6 | 33.5 | 0 | 0 | 0 | 0 | 116.4 | S17 S21 N49 | S17-S19 WeakPolarHBondContact CB-OG 3.28Å; S17-S19 PolarHBondContact O-N 3.27Å; S17-S19 PolarHBondContact OG-OG 2.88Å; S19-S21 VanDerWaalsContact C-N 3.32Å; S19-S21 PolarHBondContact O-N 3.08Å; S19-N49 PolarHBondContact N-OD1 3.31Å |
| 20 | I | 45.9 | Very low | 43 | Very low | 70 Ų | 70 | 93.4 Ų | 93.4 | 36% | 0.359 | 50% | 0.502 | S | S | . | . | trans | -83.6 | 82.9 | 179.5 | -63 | 162.8 | 0 | 0 | 0 | 107.7 | S17 C18 S22 | S17-I20 PolarHBondContact O-N 2.82Å; S17-I20 VanDerWaalsContact OG-CD1 3.32Å; S17-I20 WeakPolarHBondContact OG-CD1 3.47Å; S17-I20 VanDerWaalsContact OG-CG1 3.26Å; S17-I20 WeakPolarHBondContact OG-CG1 3.4Å; C18-I20 PolarHBondContact O-N 3.21Å; C18-I20 VanDerWaalsContact O-N 3.16Å; I20-S22 WeakPolarHBondContact CG2-OG 3.3Å; I20-S22 PolarHBondContact O-N 2.64Å | ||
| 21 | S | 46.1 | Very low | 43 | Very low | 119 Ų | 119 | 96.8 Ų | 96.8 | 83% | 0.832 | 52% | 0.516 | S | S | * | . | trans | -76.2 | 0.7 | 166.5 | 77.2 | 0 | 0 | 0 | 0 | 112.3 | S19 Q23 | S19-S21 VanDerWaalsContact C-N 3.32Å; S19-S21 PolarHBondContact O-N 3.08Å; S21-Q23 PolarHBondContact O-N 3.23Å | ||
| 22 | S | 43.5 | Very low | 42.9 | Very low | 70 Ų | 70 | 97.1 Ų | 97.1 | 49% | 0.49 | 52% | 0.522 | S | S | . | . | S | Bend | trans | -76.9 | 114.5 | 179.2 | 58.5 | 0 | 0 | 0 | 0 | 108.3 | I20 W24 | I20-S22 WeakPolarHBondContact CG2-OG 3.3Å; I20-S22 PolarHBondContact O-N 2.64Å; S22-W24 PolarHBondContact O-N 2.91Å; S22-W24 VanDerWaalsContact O-N 3.11Å |
| 23 | Q | 42.4 | Very low | 42.9 | Very low | 172 Ų | 172 | 98.2 Ų | 98.2 | 80% | 0.804 | 53% | 0.528 | S | S | * | . | trans | 24 | 87.6 | 136.7 | -67.9 | 174.2 | -16.8 | 0 | 0 | 111.1 | S21 D25 | S21-Q23 PolarHBondContact O-N 3.23Å; Q23-D25 VanDerWaalsContact C-N 3.27Å; Q23-D25 PolarHBondContact O-N 2.9Å | ||
| 24 | W | 44.1 | Very low | 42.8 | Very low | 91 Ų | 91 | 96.5 Ų | 96.5 | 35% | 0.345 | 52% | 0.524 | S | S | . | . | trans | -56.3 | 107.3 | 162.8 | -72.1 | 68.8 | 0 | 0 | 0 | 104.6 | P16 S22 E26 A67 | P16-W24 HydrophobicContact CB-CH2 4.16Å; P16-W24 HydrophobicContact CB-CZ2 3.83Å; P16-W24 HydrophobicContact CG-CH2 3.85Å; P16-W24 HydrophobicContact CG-CZ2 3.75Å; S22-W24 PolarHBondContact O-N 2.91Å; S22-W24 VanDerWaalsContact O-N 3.11Å; W24-E26 VanDerWaalsContact C-N 3.33Å; W24-E26 PolarHBondContact O-N 3.33Å; W24-A67 HydrophobicContact CZ2-CB 4.05Å | ||
| 25 | D | 38.4 | Very low | 42.9 | Very low | 103 Ų | 103 | 98.1 Ų | 98.1 | 55% | 0.551 | 53% | 0.534 | S | S | * | . | trans | -57.3 | 109.2 | 170.9 | -94.6 | -28.2 | 0 | 0 | 0 | 104.1 | Q23 D27 C28 | Q23-D25 VanDerWaalsContact C-N 3.27Å; Q23-D25 PolarHBondContact O-N 2.9Å; D25-D27 HydrophobicContact CB-CB 4.33Å; D25-D27 PolarHBondContact O-N 2.98Å; D25-C28 PolarHBondContact O-N 3Å | ||
| 26 | E | 40.9 | Very low | 43.1 | Very low | 177 Ų | 177 | 94.2 Ų | 94.2 | 83% | 0.827 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | -15.8 | 170 | -77.5 | -174.3 | 150.3 | 0 | 0 | 110.7 | W24 F30 | W24-E26 VanDerWaalsContact C-N 3.33Å; W24-E26 PolarHBondContact O-N 3.33Å; E26-F30 WeakPolarHBondContact O-CE2 3.47Å |
| 27 | D | 37.8 | Very low | 43.4 | Very low | 146 Ų | 146 | 100 Ų | 100 | 78% | 0.781 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.5 | -10.1 | 176.1 | -68.6 | -20.3 | 0 | 0 | 0 | 115 | D25 E29 | D25-D27 HydrophobicContact CB-CB 4.33Å; D25-D27 PolarHBondContact O-N 2.98Å; D27-E29 PolarHBondContact O-N 2.81Å |
| 28 | C | 39.7 | Very low | 43.8 | Very low | 76 Ų | 76 | 99 Ų | 99 | 51% | 0.514 | 54% | 0.544 | S | S | . | . | S | Bend | trans | -60.8 | 110.1 | 165.3 | -86.3 | 0 | 0 | 0 | 0 | 106.4 | D25 F30 | D25-C28 PolarHBondContact O-N 3Å; C28-F30 WeakPolarHBondContact O-CD2 3.04Å; C28-F30 WeakPolarHBondContact O-CG 3.2Å; C28-F30 PolarHBondContact O-N 2.96Å |
| 29 | E | 39.2 | Very low | 44.4 | Very low | 185 Ų | 185 | 102.2 Ų | 102.2 | 86% | 0.864 | 57% | 0.567 | S | S | * | * | trans | -48.7 | 89.2 | -176.9 | -161 | 173.7 | -154 | 0 | 0 | 109.2 | D27 I31 | D27-E29 PolarHBondContact O-N 2.81Å; E29-I31 VanDerWaalsContact C-N 3.32Å; E29-I31 PolarHBondContact O-N 2.05Å | ||
| 30 | F | 42.8 | Very low | 44.8 | Very low | 92 Ų | 92 | 105.3 Ų | 105.3 | 40% | 0.404 | 58% | 0.576 | S | S | . | * | trans | -67.6 | 100.9 | -176.5 | -73.9 | -83.4 | 0 | 0 | 0 | 105.5 | E26 C28 S32 | E26-F30 WeakPolarHBondContact O-CE2 3.47Å; C28-F30 WeakPolarHBondContact O-CD2 3.04Å; C28-F30 WeakPolarHBondContact O-CG 3.2Å; C28-F30 PolarHBondContact O-N 2.96Å; F30-S32 PolarHBondContact O-N 3.35Å | ||
| 31 | I | 41.8 | Very low | 45.4 | Very low | 117 Ų | 117 | 103.8 Ų | 103.8 | 60% | 0.6 | 57% | 0.571 | S | S | * | * | trans | -69.2 | 96.6 | 164.1 | -55.6 | 175.7 | 0 | 0 | 0 | 104.1 | E29 V33 | E29-I31 VanDerWaalsContact C-N 3.32Å; E29-I31 PolarHBondContact O-N 2.05Å; I31-V33 HydrophobicContact CB-CG2 4.33Å; I31-V33 HydrophobicContact CG2-CG2 3.75Å; I31-V33 WeakPolarHBondContact O-CG2 3.32Å; I31-V33 PolarHBondContact O-N 3.45Å | ||
| 32 | S | 42.5 | Very low | 45.8 | Very low | 34 Ų | 34 | 100 Ų | 100 | 24% | 0.238 | 54% | 0.544 | C | S | . | . | trans | -62.5 | 93.9 | 165.2 | 168.2 | 0 | 0 | 0 | 0 | 106.7 | Q5 F30 C34 | Q5-S32 PolarHBondContact NE2-OG 2.96Å; F30-S32 PolarHBondContact O-N 3.35Å; S32-C34 PolarHBondContact O-N 2.89Å | ||
| 33 | V | 42.9 | Very low | 46.6 | Very low | 46 Ų | 46 | 98.8 Ų | 98.8 | 28% | 0.279 | 53% | 0.529 | S | S | . | . | trans | -85.5 | 92.7 | 171.8 | -162 | 0 | 0 | 0 | 0 | 106.3 | W11 I31 L36 | W11-V33 WeakPolarHBondContact CZ3-O 3.26Å; I31-V33 HydrophobicContact CB-CG2 4.33Å; I31-V33 HydrophobicContact CG2-CG2 3.75Å; I31-V33 WeakPolarHBondContact O-CG2 3.32Å; I31-V33 PolarHBondContact O-N 3.45Å; V33-L36 HydrophobicContact CB-CD1 3.41Å; V33-L36 VanDerWaalsContact CB-CD1 3.41Å; V33-L36 HydrophobicContact CB-CG 3.72Å; V33-L36 HydrophobicContact CG1-CD1 3.57Å; V33-L36 HydrophobicContact CG1-CD2 3.73Å; V33-L36 HydrophobicContact CG1-CG 3.39Å; V33-L36 HydrophobicContact CG2-CD1 4Å | ||
| 34 | C | 42.9 | Very low | 47.2 | Very low | 74 Ų | 74 | 90.7 Ų | 90.7 | 50% | 0.5 | 49% | 0.492 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | 155.3 | 170.7 | -62.5 | 0 | 0 | 0 | 0 | 110.4 | S32 L36 | S32-C34 PolarHBondContact O-N 2.89Å; C34-L36 PolarHBondContact O-N 2.85Å |
| 35 | D | 46.5 | Very low | 47.8 | Very low | 156 Ų | 156 | 87.7 Ų | 87.7 | 83% | 0.834 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.2 | 23.5 | 173.5 | -54.2 | -32.8 | 0 | 0 | 0 | 116.2 | T37 | D35-T37 PolarHBondContact O-N 2.85Š|
| 36 | L | 47.3 | Very low | 48.6 | Very low | 53 Ų | 53 | 86.1 Ų | 86.1 | 28% | 0.277 | 47% | 0.474 | S | S | . | . | trans | -72.6 | 124.3 | 165.9 | -73.6 | -179.8 | 0 | 0 | 0 | 110.8 | W11 V33 C34 L71 | W11-L36 HydrophobicContact CD2-CD1 4.45Å; W11-L36 HydrophobicContact CE3-CB 4.3Å; W11-L36 HydrophobicContact CE3-CD1 4.16Å; W11-L36 HydrophobicContact CH2-CB 4.21Å; W11-L36 HydrophobicContact CZ3-CB 4.1Å; V33-L36 HydrophobicContact CB-CD1 3.41Å; V33-L36 VanDerWaalsContact CB-CD1 3.41Å; V33-L36 HydrophobicContact CB-CG 3.72Å; V33-L36 HydrophobicContact CG1-CD1 3.57Å; V33-L36 HydrophobicContact CG1-CD2 3.73Å; V33-L36 HydrophobicContact CG1-CG 3.39Å; V33-L36 HydrophobicContact CG2-CD1 4Å; C34-L36 PolarHBondContact O-N 2.85Å; L36-L71 HydrophobicContact CD1-CD1 3.93Å; L36-L71 HydrophobicContact CD1-CD2 3.3Å; L36-L71 HydrophobicContact CD1-CG 4.25Å | ||
| 37 | T | 52 | Low | 49.6 | Very low | 139 Ų | 139 | 83.9 Ų | 83.9 | 85% | 0.853 | 47% | 0.467 | S | S | * | . | trans | -89.5 | 108.3 | 159.3 | 18 | 0 | 0 | 0 | 0 | 107.1 | D35 S39 | D35-T37 PolarHBondContact O-N 2.85Å; T37-S39 PolarHBondContact O-N 2.91Å | ||
| 38 | V | 53.3 | Low | 50.7 | Low | 36 Ų | 36 | 79.5 Ų | 79.5 | 22% | 0.218 | 45% | 0.448 | C | S | . | . | trans | -82.7 | 113 | 173.1 | -170.9 | 0 | 0 | 0 | 0 | 107.9 | W11 P41 L71 | W11-V38 HydrophobicContact CZ2-CG2 4.25Å; V38-P41 HydrophobicContact CB-CB 4.38Å; V38-P41 HydrophobicContact CG1-CB 3.85Å; V38-L71 HydrophobicContact CB-CD1 4.28Å; V38-L71 HydrophobicContact CG1-CD1 4.08Å; V38-L71 HydrophobicContact CG2-CD1 3.54Å | ||
| 39 | S | 56.7 | Low | 51.6 | Low | 101 Ų | 101 | 80 Ų | 80 | 71% | 0.706 | 45% | 0.445 | S | S | * | . | S | Bend | trans | -78.5 | 131.7 | 164 | 51.2 | 0 | 0 | 0 | 0 | 108.6 | T37 | T37-S39 PolarHBondContact O-N 2.91Š|
| 40 | D | 54.4 | Low | 52.5 | Low | 155 Ų | 155 | 74.5 Ų | 74.5 | 83% | 0.829 | 42% | 0.424 | S | S | * | . | S | Bend | trans | 56.4 | 55.3 | 177 | -51 | -39.2 | 0 | 0 | 0 | 114.6 | S42 | D40-S42 PolarHBondContact O-N 3.2Š|
| 41 | P | 58.6 | Low | 53.3 | Low | 38 Ų | 38 | 74.2 Ų | 74.2 | 25% | 0.247 | 43% | 0.434 | C | S | . | . | trans | -63.9 | 122.9 | 176.5 | 28.3 | -33.3 | 0 | 0 | 0 | 110.3 | V38 Y43 | V38-P41 HydrophobicContact CB-CB 4.38Å; V38-P41 HydrophobicContact CG1-CB 3.85Å; P41-Y43 HydrophobicContact CB-CE2 3.96Å; P41-Y43 HydrophobicContact CG-CE2 4.09Å | ||
| 42 | S | 54 | Low | 54.1 | Low | 39 Ų | 39 | 70.3 Ų | 70.3 | 27% | 0.273 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 139.8 | 164.3 | 63.7 | 0 | 0 | 0 | 0 | 109.6 | D40 I70 | D40-S42 PolarHBondContact O-N 3.2Å; S42-I70 PolarHBondContact O-N 3.27Å |
| 43 | Y | 60.1 | Low | 54.9 | Low | 45 Ų | 45 | 75.6 Ų | 75.6 | 18% | 0.176 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 151.8 | 176 | -55.2 | -99.9 | 0 | 0 | 0 | 109.4 | P41 S51 V52 V55 P69 | P41-Y43 HydrophobicContact CB-CE2 3.96Å; P41-Y43 HydrophobicContact CG-CE2 4.09Å; Y43-S51 CarbonylContact O-C 3.53Å; Y43-S51 WeakPolarHBondContact O-CA 3.37Å; Y43-V52 PolarHBondContact N-O 3.37Å; Y43-V52 PolarHBondContact O-N 2.81Å; Y43-V55 HydrophobicContact CD1-CB 4.14Å; Y43-V55 HydrophobicContact CD1-CG2 3.41Å; Y43-V55 VanDerWaalsContact CD1-CG2 3.41Å; Y43-V55 HydrophobicContact CD2-CB 4.42Å; Y43-V55 HydrophobicContact CD2-CG2 3.75Å; Y43-V55 HydrophobicContact CE1-CB 4.36Å; Y43-V55 HydrophobicContact CE1-CG2 4.1Å; Y43-V55 HydrophobicContact CE2-CG2 4.41Å; Y43-V55 HydrophobicContact CG-CB 4.18Å; Y43-V55 HydrophobicContact CG-CG2 3.2Å; Y43-P69 HydrophobicContact CD1-CB 3.94Å; Y43-P69 HydrophobicContact CE1-CB 3.56Å; Y43-P69 HydrophobicContact CE1-CG 3.96Å |
| 44 | C | 55.4 | Low | 55.5 | Low | 2 Ų | 2 | 77.8 Ų | 77.8 | 1% | 0.014 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 122.6 | 170.3 | -170.1 | 0 | 0 | 0 | 0 | 109.1 | C18 L46 A67 | C18-C44 WeakPolarHBondContact CA-SG 3.06Å; C18-C44 HydrophobicContact CB-CB 4.42Å; C18-C44 WeakPolarHBondContact CB-SG 3.4Å; C18-C44 WeakPolarHBondContact SG-CB 2.93Å; C18-C44 CovalentContact SG-SG 2.05Å; C18-C44 PolarHBondContact SG-SG 3.28Å; C44-L46 PolarHBondContact O-N 2.91Å; C44-A67 HydrophobicContact CB-CB 3.95Å; C44-A67 PolarHBondContact O-N 2.87Å |
| 45 | D | 57.3 | Low | 56 | Low | 28 Ų | 28 | 74.9 Ų | 74.9 | 15% | 0.15 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 110.9 | 165.6 | 171.8 | 2.7 | 0 | 0 | 0 | 107.8 | L47 S48 N49 T50 V52 Y66 | D45-L47 VanDerWaalsContact C-N 3.29Å; D45-L47 PolarHBondContact O-N 2.82Å; D45-L47 WeakPolarHBondContact OD1-CB 3.34Å; D45-L47 PolarHBondContact OD1-N 2.86Å; D45-S48 WeakPolarHBondContact CB-OG 3.42Å; D45-S48 PolarHBondContact OD1-N 2.92Å; D45-S48 WeakPolarHBondContact OD2-CB 3.07Å; D45-S48 PolarHBondContact OD2-OG 3.26Å; D45-N49 VanDerWaalsContact O-CA 3.27Å; D45-N49 WeakPolarHBondContact O-CA 3.49Å; D45-N49 PolarHBondContact O-N 2.89Å; D45-T50 PolarHBondContact N-O 2.65Å; D45-T50 PolarHBondContact O-N 3.01Å; D45-V52 HydrophobicContact CB-CG1 4.13Å; D45-Y66 HydrophobicContact CB-CD1 4.25Å; D45-Y66 HydrophobicContact CB-CE1 4.02Å |
| 46 | L | 55.6 | Low | 56.3 | Low | 69 Ų | 69 | 71.9 Ų | 71.9 | 36% | 0.361 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -24.2 | -175.7 | -64.2 | 173.5 | 0 | 0 | 0 | 112.3 | C44 D65 A67 | C44-L46 PolarHBondContact O-N 2.91Å; L46-D65 VanDerWaalsContact CB-O 3.3Å; L46-D65 WeakPolarHBondContact CB-O 3.42Å; L46-D65 PolarHBondContact N-O 3.14Å; L46-A67 HydrophobicContact CD1-CB 4.46Å; L46-A67 HydrophobicContact CD2-CB 4.17Å; L46-A67 HydrophobicContact CG-CB 4.28Å |
| 47 | L | 61.3 | Low | 56.3 | Low | 131 Ų | 131 | 76.9 Ų | 76.9 | 69% | 0.686 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -42.1 | 178 | -67.2 | 175.7 | 0 | 0 | 0 | 111.2 | D45 D65 | D45-L47 VanDerWaalsContact C-N 3.29Å; D45-L47 PolarHBondContact O-N 2.82Å; D45-L47 WeakPolarHBondContact OD1-CB 3.34Å; D45-L47 PolarHBondContact OD1-N 2.86Å; L47-D65 HydrophobicContact CD1-CB 4Å; L47-D65 WeakPolarHBondContact CD1-OD2 3.46Å; L47-D65 HydrophobicContact CG-CB 4Å |
| 48 | S | 60.7 | Low | 56 | Low | 54 Ų | 54 | 76 Ų | 76 | 38% | 0.378 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | -14 | 178.4 | 66.5 | 0 | 0 | 0 | 0 | 113.4 | D45 T50 | D45-S48 WeakPolarHBondContact CB-OG 3.42Å; D45-S48 PolarHBondContact OD1-N 2.92Å; D45-S48 WeakPolarHBondContact OD2-CB 3.07Å; D45-S48 PolarHBondContact OD2-OG 3.26Å; S48-T50 WeakPolarHBondContact O-CG2 3.27Å; S48-T50 PolarHBondContact O-N 2.73Å; S48-T50 PolarHBondContact OG-OG1 3.36Å |
| 49 | N | 58.9 | Low | 55.5 | Low | 87 Ų | 87 | 76.7 Ų | 76.7 | 47% | 0.465 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56 | 36.6 | -173 | -169.6 | 25.6 | 0 | 0 | 0 | 111.4 | C18 S19 D45 | C18-N49 WeakPolarHBondContact CA-OD1 3.33Å; C18-N49 WeakPolarHBondContact CB-OD1 3.1Å; C18-N49 PolarHBondContact O-OD1 3.19Å; S19-N49 PolarHBondContact N-OD1 3.31Å; D45-N49 VanDerWaalsContact O-CA 3.27Å; D45-N49 WeakPolarHBondContact O-CA 3.49Å; D45-N49 PolarHBondContact O-N 2.89Å |
| 50 | T | 57.6 | Low | 55 | Low | 69 Ų | 69 | 75.3 Ų | 75.3 | 42% | 0.423 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 150.2 | -179.6 | 66 | 0 | 0 | 0 | 0 | 111.5 | D45 S48 | D45-T50 PolarHBondContact N-O 2.65Å; D45-T50 PolarHBondContact O-N 3.01Å; S48-T50 WeakPolarHBondContact O-CG2 3.27Å; S48-T50 PolarHBondContact O-N 2.73Å; S48-T50 PolarHBondContact OG-OG1 3.36Å |
| 51 | S | 60.2 | Low | 54.4 | Low | 86 Ų | 86 | 72.8 Ų | 72.8 | 60% | 0.601 | 41% | 0.414 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 131.4 | 169.9 | 59.2 | 0 | 0 | 0 | 0 | 109.6 | Y43 | Y43-S51 CarbonylContact O-C 3.53Å; Y43-S51 WeakPolarHBondContact O-CA 3.37Å |
| 52 | V | 57.8 | Low | 53.6 | Low | 35 Ų | 35 | 75.2 Ų | 75.2 | 21% | 0.212 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 132.7 | 172.8 | -59.7 | 0 | 0 | 0 | 0 | 109.5 | Y43 D45 S54 V55 Y66 | Y43-V52 PolarHBondContact N-O 3.37Å; Y43-V52 PolarHBondContact O-N 2.81Å; D45-V52 HydrophobicContact CB-CG1 4.13Å; V52-S54 PolarHBondContact O-N 3.33Å; V52-V55 HydrophobicContact CG2-CG2 3.88Å; V52-Y66 HydrophobicContact CG2-CE1 4.47Å |
| 53 | D | 59 | Low | 52.9 | Low | 145 Ų | 145 | 76.9 Ų | 76.9 | 78% | 0.775 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -73.6 | -14.4 | -177.7 | -60.1 | -29.7 | 0 | 0 | 0 | 112.5 | ||
| 54 | S | 55.1 | Low | 52 | Low | 91 Ų | 91 | 83.5 Ų | 83.5 | 64% | 0.636 | 47% | 0.47 | S | S | * | . | trans | -149.5 | 132.4 | 175.6 | 67.2 | 0 | 0 | 0 | 0 | 109.5 | V52 | V52-S54 PolarHBondContact O-N 3.33Š| ||
| 55 | V | 53.7 | Low | 51.5 | Low | 14 Ų | 14 | 85.9 Ų | 85.9 | 9% | 0.085 | 48% | 0.483 | C | S | . | . | trans | -95.7 | 131.3 | 160.8 | -173.6 | 0 | 0 | 0 | 0 | 106.9 | Y43 V52 K57 I60 Y66 | Y43-V55 HydrophobicContact CD1-CB 4.14Å; Y43-V55 HydrophobicContact CD1-CG2 3.41Å; Y43-V55 VanDerWaalsContact CD1-CG2 3.41Å; Y43-V55 HydrophobicContact CD2-CB 4.42Å; Y43-V55 HydrophobicContact CD2-CG2 3.75Å; Y43-V55 HydrophobicContact CE1-CB 4.36Å; Y43-V55 HydrophobicContact CE1-CG2 4.1Å; Y43-V55 HydrophobicContact CE2-CG2 4.41Å; Y43-V55 HydrophobicContact CG-CB 4.18Å; Y43-V55 HydrophobicContact CG-CG2 3.2Å; V52-V55 HydrophobicContact CG2-CG2 3.88Å; V55-K57 PolarHBondContact O-N 2.81Å; V55-I60 HydrophobicContact CB-CD1 4.09Å; V55-I60 HydrophobicContact CB-CG1 4.16Å; V55-I60 HydrophobicContact CG1-CD1 3.86Å; V55-I60 HydrophobicContact CG1-CG1 3.36Å; V55-Y66 HydrophobicContact CB-CD1 4.36Å; V55-Y66 HydrophobicContact CB-CG 4.45Å; V55-Y66 HydrophobicContact CG1-CD1 3.78Å; V55-Y66 HydrophobicContact CG1-CD2 3.49Å; V55-Y66 VanDerWaalsContact CG1-CD2 3.49Å; V55-Y66 HydrophobicContact CG1-CE1 3.84Å; V55-Y66 HydrophobicContact CG1-CE2 3.54Å; V55-Y66 HydrophobicContact CG1-CG 3.6Å; V55-Y66 HydrophobicContact CG2-CD1 3.53Å; V55-Y66 HydrophobicContact CG2-CE1 3.95Å; V55-Y66 HydrophobicContact CG2-CG 3.9Å | ||
| 56 | D | 52.6 | Low | 50.9 | Low | 93 Ų | 93 | 87.7 Ų | 87.7 | 50% | 0.497 | 49% | 0.488 | S | S | . | . | trans | -63 | 110.3 | 167.5 | -171 | -12.8 | 0 | 0 | 0 | 107.2 | D58 V59 I60 | D56-D58 PolarHBondContact O-N 2.97Å; D56-D58 PolarHBondContact OD1-N 3.46Å; D56-V59 HydrophobicContact CB-CB 4.38Å; D56-V59 HydrophobicContact CB-CG2 3.73Å; D56-V59 WeakPolarHBondContact O-CA 3.3Å; D56-V59 WeakPolarHBondContact O-CB 3.41Å; D56-V59 PolarHBondContact O-N 3.48Å; D56-I60 PolarHBondContact O-N 3.16Å | ||
| 57 | K | 47.4 | Very low | 50.4 | Low | 157 Ų | 157 | 84.6 Ų | 84.6 | 68% | 0.683 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | -26.4 | -178.7 | 59.3 | 174.6 | -175.7 | 170.9 | 0 | 112.5 | V55 V59 | V55-K57 PolarHBondContact O-N 2.81Å; K57-V59 VanDerWaalsContact C-N 3.31Å |
| 58 | D | 45.6 | Very low | 49.6 | Very low | 121 Ų | 121 | 80.4 Ų | 80.4 | 65% | 0.647 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -21.3 | 178.9 | -66.6 | -16.8 | 0 | 0 | 0 | 111.5 | D56 | D56-D58 PolarHBondContact O-N 2.97Å; D56-D58 PolarHBondContact OD1-N 3.46Å |
| 59 | V | 44.1 | Very low | 48.9 | Very low | 50 Ų | 50 | 79 Ų | 79 | 30% | 0.303 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -30.5 | 175.7 | -171 | 0 | 0 | 0 | 0 | 111.6 | D56 K57 S61 S62 D63 Y66 | D56-V59 HydrophobicContact CB-CB 4.38Å; D56-V59 HydrophobicContact CB-CG2 3.73Å; D56-V59 WeakPolarHBondContact O-CA 3.3Å; D56-V59 WeakPolarHBondContact O-CB 3.41Å; D56-V59 PolarHBondContact O-N 3.48Å; K57-V59 VanDerWaalsContact C-N 3.31Å; V59-S61 PolarHBondContact O-N 3.02Å; V59-S62 PolarHBondContact O-N 2.98Å; V59-D63 PolarHBondContact O-N 2.84Å; V59-Y66 HydrophobicContact CB-CE2 4.16Å; V59-Y66 HydrophobicContact CG1-CE2 3.69Å |
| 60 | I | 44.7 | Very low | 48.2 | Very low | 73 Ų | 73 | 75.5 Ų | 75.5 | 37% | 0.374 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -22.1 | 175 | -43.6 | 175 | 0 | 0 | 0 | 111.5 | V55 D56 S62 | V55-I60 HydrophobicContact CB-CD1 4.09Å; V55-I60 HydrophobicContact CB-CG1 4.16Å; V55-I60 HydrophobicContact CG1-CD1 3.86Å; V55-I60 HydrophobicContact CG1-CG1 3.36Å; D56-I60 PolarHBondContact O-N 3.16Å; I60-S62 VanDerWaalsContact C-N 3.29Å; I60-S62 PolarHBondContact O-N 3.11Å |
| 61 | S | 42.4 | Very low | 47.6 | Very low | 101 Ų | 101 | 72.9 Ų | 72.9 | 71% | 0.706 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -18 | -177.1 | -179 | 0 | 0 | 0 | 0 | 114.8 | V59 | V59-S61 PolarHBondContact O-N 3.02Š|
| 62 | S | 42.2 | Very low | 46.6 | Very low | 89 Ų | 89 | 73.1 Ų | 73.1 | 62% | 0.622 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.9 | -40 | -174.7 | -172.1 | 0 | 0 | 0 | 0 | 112.7 | V59 I60 | V59-S62 PolarHBondContact O-N 2.98Å; I60-S62 VanDerWaalsContact C-N 3.29Å; I60-S62 PolarHBondContact O-N 3.11Å |
| 63 | D | 39.5 | Very low | 45.8 | Very low | 75 Ų | 75 | 75.8 Ų | 75.8 | 40% | 0.401 | 42% | 0.418 | S | S | . | . | trans | -100.9 | 112.3 | -171 | -69.1 | -17.3 | 0 | 0 | 0 | 107.9 | V59 D65 | V59-D63 PolarHBondContact O-N 2.84Å; D63-D65 HydrophobicContact CB-CB 4.05Å; D63-D65 WeakPolarHBondContact CB-OD2 3.45Å; D63-D65 PolarHBondContact O-N 3.4Å | ||
| 64 | H | 41.7 | Very low | 44.7 | Very low | 183 Ų | 183 | 71.4 Ų | 71.4 | 85% | 0.847 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | 22.7 | 170.6 | -69.7 | 56.2 | 0 | 0 | 0 | 111.8 | ||
| 65 | D | 44.5 | Very low | 43.8 | Very low | 52 Ų | 52 | 71.8 Ų | 71.8 | 28% | 0.278 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | -8.6 | -166.3 | -68 | -21.7 | 0 | 0 | 0 | 112.2 | L46 L47 D63 | L46-D65 VanDerWaalsContact CB-O 3.3Å; L46-D65 WeakPolarHBondContact CB-O 3.42Å; L46-D65 PolarHBondContact N-O 3.14Å; L47-D65 HydrophobicContact CD1-CB 4Å; L47-D65 WeakPolarHBondContact CD1-OD2 3.46Å; L47-D65 HydrophobicContact CG-CB 4Å; D63-D65 HydrophobicContact CB-CB 4.05Å; D63-D65 WeakPolarHBondContact CB-OD2 3.45Å; D63-D65 PolarHBondContact O-N 3.4Å |
| 66 | Y | 43.8 | Very low | 43 | Very low | 66 Ų | 66 | 79.2 Ų | 79.2 | 26% | 0.259 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 127.3 | 170.6 | -61 | -75.6 | 0 | 0 | 0 | 110.2 | D45 V52 V55 V59 | D45-Y66 HydrophobicContact CB-CD1 4.25Å; D45-Y66 HydrophobicContact CB-CE1 4.02Å; V52-Y66 HydrophobicContact CG2-CE1 4.47Å; V55-Y66 HydrophobicContact CB-CD1 4.36Å; V55-Y66 HydrophobicContact CB-CG 4.45Å; V55-Y66 HydrophobicContact CG1-CD1 3.78Å; V55-Y66 HydrophobicContact CG1-CD2 3.49Å; V55-Y66 VanDerWaalsContact CG1-CD2 3.49Å; V55-Y66 HydrophobicContact CG1-CE1 3.84Å; V55-Y66 HydrophobicContact CG1-CE2 3.54Å; V55-Y66 HydrophobicContact CG1-CG 3.6Å; V55-Y66 HydrophobicContact CG2-CD1 3.53Å; V55-Y66 HydrophobicContact CG2-CE1 3.95Å; V55-Y66 HydrophobicContact CG2-CG 3.9Å; V59-Y66 HydrophobicContact CB-CE2 4.16Å; V59-Y66 HydrophobicContact CG1-CE2 3.69Å |
| 67 | A | 46.3 | Very low | 42.1 | Very low | 5 Ų | 5 | 85.6 Ų | 85.6 | 4% | 0.041 | 48% | 0.482 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 142.1 | 162.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | W24 C44 L46 | W24-A67 HydrophobicContact CZ2-CB 4.05Å; C44-A67 HydrophobicContact CB-CB 3.95Å; C44-A67 PolarHBondContact O-N 2.87Å; L46-A67 HydrophobicContact CD1-CB 4.46Å; L46-A67 HydrophobicContact CD2-CB 4.17Å; L46-A67 HydrophobicContact CG-CB 4.28Å |
| 68 | S | 44.7 | Very low | 41.9 | Very low | 42 Ų | 42 | 82.1 Ų | 82.1 | 29% | 0.294 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -46.9 | 144.2 | 175 | -58.2 | 0 | 0 | 0 | 0 | 111.3 | I70 | S68-I70 PolarHBondContact O-N 3.03Å |
| 69 | P | 45.5 | Very low | 41.7 | Very low | 24 Ų | 24 | 80 Ų | 80 | 16% | 0.156 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -49 | 132.9 | 174.8 | 14.4 | -26.3 | 0 | 0 | 0 | 110.9 | Y43 | Y43-P69 HydrophobicContact CD1-CB 3.94Å; Y43-P69 HydrophobicContact CE1-CB 3.56Å; Y43-P69 HydrophobicContact CE1-CG 3.96Å |
| 70 | I | 44.7 | Very low | 41.5 | Very low | 15 Ų | 15 | 81.7 Ų | 81.7 | 8% | 0.077 | 47% | 0.471 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 122.1 | 178.8 | -57.3 | 173.8 | 0 | 0 | 0 | 107.6 | E15 P16 S42 S68 V72 | E15-I70 HydrophobicContact CB-CG2 4.41Å; E15-I70 HydrophobicContact CG-CG2 3.81Å; P16-I70 HydrophobicContact CG-CD1 3.95Å; P16-I70 HydrophobicContact CG-CG1 4.09Å; S42-I70 PolarHBondContact O-N 3.27Å; S68-I70 PolarHBondContact O-N 3.03Å; I70-V72 HydrophobicContact CG2-CG2 4.31Å |
| 71 | L | 43.7 | Very low | 41.3 | Very low | 13 Ų | 13 | 82.2 Ų | 82.2 | 7% | 0.068 | 48% | 0.477 | C | S | . | . | trans | -93.1 | 102.6 | 173.5 | 179.6 | 77.7 | 0 | 0 | 0 | 109.1 | W11 S12 L36 V38 I73 | W11-L71 HydrophobicContact CB-CB 4.07Å; W11-L71 HydrophobicContact CG-CB 4.43Å; S12-L71 PolarHBondContact O-N 3.41Å; L36-L71 HydrophobicContact CD1-CD1 3.93Å; L36-L71 HydrophobicContact CD1-CD2 3.3Å; L36-L71 HydrophobicContact CD1-CG 4.25Å; V38-L71 HydrophobicContact CB-CD1 4.28Å; V38-L71 HydrophobicContact CG1-CD1 4.08Å; V38-L71 HydrophobicContact CG2-CD1 3.54Å; L71-I73 HydrophobicContact CD2-CD1 3.79Å; L71-I73 HydrophobicContact CD2-CG1 3.55Å; L71-I73 HydrophobicContact CG-CG1 3.79Å; L71-I73 PolarHBondContact O-N 3.27Å | ||
| 72 | V | 40.4 | Very low | 41.3 | Very low | 92 Ų | 92 | 81 Ų | 81 | 56% | 0.558 | 46% | 0.463 | S | S | * | . | trans | -81.7 | 97.9 | 167.2 | -174.7 | 0 | 0 | 0 | 0 | 107.9 | I70 G74 | I70-V72 HydrophobicContact CG2-CG2 4.31Å; V72-G74 VanDerWaalsContact C-N 3.32Å; V72-G74 PolarHBondContact O-N 3.32Å | ||
| 73 | I | 41 | Very low | 41.2 | Very low | 91 Ų | 91 | 80.5 Ų | 80.5 | 47% | 0.467 | 45% | 0.452 | S | S | . | . | trans | -73.8 | 95.4 | 168.6 | -53.8 | -175 | 0 | 0 | 0 | 107 | L13 L71 S75 | L13-I73 HydrophobicContact CD1-CD1 3.43Å; L13-I73 VanDerWaalsContact CD1-CD1 3.43Å; L13-I73 HydrophobicContact CD1-CG1 4.45Å; L13-I73 HydrophobicContact CD2-CD1 4.2Å; L13-I73 HydrophobicContact CG-CD1 3.75Å; L13-I73 HydrophobicContact CG-CG1 4.29Å; L71-I73 HydrophobicContact CD2-CD1 3.79Å; L71-I73 HydrophobicContact CD2-CG1 3.55Å; L71-I73 HydrophobicContact CG-CG1 3.79Å; L71-I73 PolarHBondContact O-N 3.27Å; I73-S75 PolarHBondContact O-N 2.96Å | ||
| 74 | G | 34.4 | Very low | 41.3 | Very low | 52 Ų | 52 | 80.9 Ų | 80.9 | 54% | 0.536 | 46% | 0.456 | S | S | . | . | trans | -54 | 111 | 165 | 0 | 0 | 0 | 0 | 0 | 108.5 | V72 N76 | V72-G74 VanDerWaalsContact C-N 3.32Å; V72-G74 PolarHBondContact O-N 3.32Å; G74-N76 VanDerWaalsContact C-N 3.33Å; G74-N76 PolarHBondContact O-N 2.78Å | ||
| 75 | S | 37.5 | Very low | 41.3 | Very low | 100 Ų | 100 | 73 Ų | 73 | 70% | 0.699 | 43% | 0.425 | S | S | * | . | trans | -65.8 | 100.3 | 166.7 | -63.8 | 0 | 0 | 0 | 0 | 106.1 | I73 L77 | I73-S75 PolarHBondContact O-N 2.96Å; S75-L77 PolarHBondContact O-N 3.32Å | ||
| 76 | N | 36.3 | Very low | 41.1 | Very low | 169 Ų | 169 | 74.8 Ų | 74.8 | 90% | 0.904 | 44% | 0.438 | S | S | * | . | trans | -70.5 | 74.5 | 160.6 | -74.5 | -62.3 | 0 | 0 | 0 | 107.1 | G74 | G74-N76 VanDerWaalsContact C-N 3.33Å; G74-N76 PolarHBondContact O-N 2.78Å | ||
| 77 | L | 34.5 | Very low | 40.8 | Very low | 228 Ų | 228 | 75.5 Ų | 75.5 | 100% | 1.194 | 45% | 0.454 | S | S | * | . | trans | -125 | 0 | 167 | -78.7 | 174.3 | 0 | 0 | 0 | 109.1 | S75 | S75-L77 PolarHBondContact O-N 3.32Š|
Retrieved 77 of 77 residues in 61.3 ms
(Link to these results)