| 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 | 77 | Confident | 77.6 | Confident | 152 Ų | 152 | 85.5 Ų | 85.5 | 75% | 0.749 | 47% | 0.47 | S | S | * | . | 0 | 130.6 | 0 | -169.4 | 166.8 | 80.4 | 0 | 0 | 108 | W12 F13 | M1-W12 HydrophobicContact CE-CD2 4.1Å; M1-W12 HydrophobicContact CE-CE3 3.76Å; M1-W12 HydrophobicContact CE-CZ3 4.09Å; M1-W12 HydrophobicContact CG-CB 4.45Å; M1-W12 HydrophobicContact CG-CE3 3.95Å; M1-W12 HydrophobicContact SD-CB 4.41Å; M1-W12 HydrophobicContact SD-CE3 4.35Å; M1-F13 WeakPolarHBondContact CA-O 3.46Å | |||
| 2 | I | 77.6 | Confident | 77.9 | Confident | 32 Ų | 32 | 91.3 Ų | 91.3 | 16% | 0.164 | 48% | 0.48 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 134.7 | 178.3 | -83.6 | 168.5 | 0 | 0 | 0 | 108.6 | I4 W12 F13 L17 L34 I42 | I2-I4 HydrophobicContact CG2-CG1 4.01Å; I2-W12 WeakPolarHBondContact O-CA 3.29Å; I2-F13 PolarHBondContact N-O 3.35Å; I2-F13 PolarHBondContact O-N 2.9Å; I2-L17 HydrophobicContact CD1-CD1 4.21Å; I2-L34 HydrophobicContact CD1-CD1 3.75Å; I2-L34 HydrophobicContact CD1-CD2 4.32Å; I2-L34 HydrophobicContact CG2-CD1 4.39Å; I2-I42 HydrophobicContact CD1-CD1 3.95Å; I2-I42 HydrophobicContact CD1-CG2 4.12Å |
| 3 | G | 79.6 | Confident | 78 | Confident | 34 Ų | 34 | 87.1 Ų | 87.1 | 35% | 0.351 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 129.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | Q11 W12 | G3-Q11 WeakPolarHBondContact CA-O 3.43Å; G3-W12 VanDerWaalsContact CA-CE3 3.4Å |
| 4 | I | 76.9 | Confident | 78.2 | Confident | 19 Ų | 19 | 92.6 Ų | 92.6 | 10% | 0.097 | 48% | 0.484 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 125.4 | 174.3 | -54.3 | 178.5 | 0 | 0 | 0 | 107.7 | I2 L6 I10 Q11 F13 | I2-I4 HydrophobicContact CG2-CG1 4.01Å; I4-L6 HydrophobicContact CG2-CD1 4.26Å; I4-L6 HydrophobicContact CG2-CD2 4.15Å; I4-L6 HydrophobicContact CG2-CG 3.95Å; I4-I10 WeakPolarHBondContact O-CA 3.21Å; I4-Q11 PolarHBondContact N-O 2.87Å; I4-Q11 PolarHBondContact O-N 3.09Å; I4-F13 HydrophobicContact CB-CE2 4.17Å; I4-F13 HydrophobicContact CD1-CD2 4Å; I4-F13 HydrophobicContact CD1-CE2 3.98Å; I4-F13 HydrophobicContact CG1-CD2 4.11Å; I4-F13 HydrophobicContact CG1-CE2 4.11Å |
| 5 | L | 78.9 | Confident | 78.3 | Confident | 120 Ų | 120 | 88.1 Ų | 88.1 | 63% | 0.628 | 46% | 0.463 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82 | 119.2 | 174 | -179.5 | 67.8 | 0 | 0 | 0 | 109.4 | I10 | L5-I10 HydrophobicContact CD1-CG1 3.88Å |
| 6 | L | 73 | Confident | 78.5 | Confident | 45 Ų | 45 | 88.1 Ų | 88.1 | 24% | 0.236 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 124.3 | 178.1 | -63.5 | 159.8 | 0 | 0 | 0 | 108.4 | I4 N8 Q9 Q11 L26 | I4-L6 HydrophobicContact CG2-CD1 4.26Å; I4-L6 HydrophobicContact CG2-CD2 4.15Å; I4-L6 HydrophobicContact CG2-CG 3.95Å; L6-N8 PolarHBondContact O-N 2.8Å; L6-N8 VanDerWaalsContact O-N 3.1Å; L6-Q9 PolarHBondContact N-O 3.18Å; L6-Q9 PolarHBondContact O-N 3.3Å; L6-Q11 HydrophobicContact CD1-CG 4.46Å; L6-L26 HydrophobicContact CD1-CB 4.45Å; L6-L26 HydrophobicContact CD1-CD1 3.36Å; L6-L26 HydrophobicContact CD1-CD2 3.6Å; L6-L26 HydrophobicContact CD1-CG 3.99Å; L6-L26 HydrophobicContact CD2-CD1 3.93Å; L6-L26 HydrophobicContact CG-CD1 4.26Å |
| 7 | S | 73.7 | Confident | 78.6 | Confident | 117 Ų | 117 | 84.1 Ų | 84.1 | 82% | 0.818 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.2 | 44.2 | 173.8 | -56.9 | 0 | 0 | 0 | 0 | 114.2 | Q9 | S7-Q9 PolarHBondContact O-N 3.14Š|
| 8 | N | 78.3 | Confident | 78.5 | Confident | 159 Ų | 159 | 89.2 Ų | 89.2 | 85% | 0.85 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.6 | 12.1 | -177.4 | -53.2 | -31.5 | 0 | 0 | 0 | 116.1 | L6 | L6-N8 PolarHBondContact O-N 2.8Å; L6-N8 VanDerWaalsContact O-N 3.1Å |
| 9 | Q | 78.4 | Confident | 78.3 | Confident | 128 Ų | 128 | 94.1 Ų | 94.1 | 60% | 0.598 | 48% | 0.48 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 136.3 | 171.9 | -65 | -176 | -12.8 | 0 | 0 | 110.2 | L6 S7 | L6-Q9 PolarHBondContact N-O 3.18Å; L6-Q9 PolarHBondContact O-N 3.3Å; S7-Q9 PolarHBondContact O-N 3.14Å |
| 10 | I | 81.9 | Confident | 78.5 | Confident | 100 Ų | 100 | 90.8 Ų | 90.8 | 51% | 0.513 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 118.7 | 171.9 | -60.5 | 174.1 | 0 | 0 | 0 | 107.6 | I4 L5 W12 | I4-I10 WeakPolarHBondContact O-CA 3.21Å; L5-I10 HydrophobicContact CD1-CG1 3.88Å; I10-W12 HydrophobicContact CG2-CD2 4.17Å; I10-W12 HydrophobicContact CG2-CZ2 3.96Å |
| 11 | Q | 78.5 | Confident | 78.9 | Confident | 35 Ų | 35 | 89.2 Ų | 89.2 | 16% | 0.164 | 47% | 0.468 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 127.8 | 170.4 | -64.7 | -174.2 | -10 | 0 | 0 | 109.1 | G3 I4 L6 F13 E27 | G3-Q11 WeakPolarHBondContact CA-O 3.43Å; I4-Q11 PolarHBondContact N-O 2.87Å; I4-Q11 PolarHBondContact O-N 3.09Å; L6-Q11 HydrophobicContact CD1-CG 4.46Å; Q11-F13 HydrophobicContact CB-CE2 3.55Å; Q11-F13 HydrophobicContact CB-CZ 3.49Å; Q11-F13 VanDerWaalsContact CB-CZ 3.49Å; Q11-F13 WeakPolarHBondContact O-CD2 3.26Å; Q11-F13 VanDerWaalsContact O-CE2 3.26Å; Q11-F13 WeakPolarHBondContact O-CE2 3.48Å; Q11-E27 PolarHBondContact NE2-OE2 3.34Å |
| 12 | W | 81.4 | Confident | 79.3 | Confident | 155 Ų | 155 | 83.1 Ų | 83.1 | 59% | 0.587 | 44% | 0.44 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 131.8 | -178.7 | -65.5 | 101 | 0 | 0 | 0 | 110.9 | M1 I2 G3 I10 | M1-W12 HydrophobicContact CE-CD2 4.1Å; M1-W12 HydrophobicContact CE-CE3 3.76Å; M1-W12 HydrophobicContact CE-CZ3 4.09Å; M1-W12 HydrophobicContact CG-CB 4.45Å; M1-W12 HydrophobicContact CG-CE3 3.95Å; M1-W12 HydrophobicContact SD-CB 4.41Å; M1-W12 HydrophobicContact SD-CE3 4.35Å; I2-W12 WeakPolarHBondContact O-CA 3.29Å; G3-W12 VanDerWaalsContact CA-CE3 3.4Å; I10-W12 HydrophobicContact CG2-CD2 4.17Å; I10-W12 HydrophobicContact CG2-CZ2 3.96Å |
| 13 | F | 79.1 | Confident | 79.6 | Confident | 36 Ų | 36 | 87.3 Ų | 87.3 | 16% | 0.158 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 132.9 | -178.8 | -57.4 | -80.3 | 0 | 0 | 0 | 111.3 | M1 I2 I4 Q11 V24 L26 | M1-F13 WeakPolarHBondContact CA-O 3.46Å; I2-F13 PolarHBondContact N-O 3.35Å; I2-F13 PolarHBondContact O-N 2.9Å; I4-F13 HydrophobicContact CB-CE2 4.17Å; I4-F13 HydrophobicContact CD1-CD2 4Å; I4-F13 HydrophobicContact CD1-CE2 3.98Å; I4-F13 HydrophobicContact CG1-CD2 4.11Å; I4-F13 HydrophobicContact CG1-CE2 4.11Å; Q11-F13 HydrophobicContact CB-CE2 3.55Å; Q11-F13 HydrophobicContact CB-CZ 3.49Å; Q11-F13 VanDerWaalsContact CB-CZ 3.49Å; Q11-F13 WeakPolarHBondContact O-CD2 3.26Å; Q11-F13 VanDerWaalsContact O-CE2 3.26Å; Q11-F13 WeakPolarHBondContact O-CE2 3.48Å; F13-V24 HydrophobicContact CB-CG1 4.17Å; F13-V24 HydrophobicContact CB-CG2 4.45Å; F13-V24 HydrophobicContact CD1-CG1 3.27Å; F13-V24 HydrophobicContact CD2-CG1 3.88Å; F13-V24 HydrophobicContact CE1-CG1 3.54Å; F13-V24 HydrophobicContact CE2-CG1 4.13Å; F13-V24 HydrophobicContact CG-CG1 3.46Å; F13-V24 VanDerWaalsContact CG-CG1 3.46Å; F13-V24 HydrophobicContact CZ-CG1 4Å; F13-L26 HydrophobicContact CE1-CD2 3.87Å; F13-L26 HydrophobicContact CE2-CD2 3.59Å; F13-L26 HydrophobicContact CZ-CD2 3.09Å |
| 14 | L | 80 | Confident | 79.6 | Confident | 165 Ų | 165 | 86.1 Ų | 86.1 | 86% | 0.864 | 44% | 0.443 | S | S | * | . | trans | -83.3 | 110.6 | 161.7 | -67.4 | 173.9 | 0 | 0 | 0 | 107.2 | ||||
| 15 | C | 79.9 | Confident | 79.6 | Confident | 25 Ų | 25 | 89.2 Ų | 89.2 | 17% | 0.169 | 46% | 0.463 | C | S | . | . | trans | -120.1 | 132.6 | 176.9 | 59.8 | 0 | 0 | 0 | 0 | 109.2 | L34 | C15-L34 HydrophobicContact CB-CD1 3.88Š| ||
| 16 | D | 81.6 | Confident | 79.3 | Confident | 87 Ų | 87 | 84.1 Ų | 84.1 | 47% | 0.465 | 44% | 0.436 | S | S | . | . | trans | -92.5 | 107.3 | 168.5 | 179.9 | 2.8 | 0 | 0 | 0 | 108.5 | E18 | D16-E18 WeakPolarHBondContact OD1-CB 3.32Å; D16-E18 VanDerWaalsContact OD1-CG 3.26Å; D16-E18 WeakPolarHBondContact OD1-CG 3.39Å; D16-E18 PolarHBondContact OD1-N 2.82Å | ||
| 17 | L | 80.5 | Confident | 79.1 | Confident | 20 Ų | 20 | 88.5 Ų | 88.5 | 11% | 0.105 | 46% | 0.456 | C | S | . | . | trans | -98.5 | 11.7 | 179.2 | -67.6 | 174.2 | 0 | 0 | 0 | 112.6 | I2 K19 G20 L34 K36 I42 | I2-L17 HydrophobicContact CD1-CD1 4.21Å; L17-K19 PolarHBondContact O-N 3.06Å; L17-G20 PolarHBondContact O-N 2.82Å; L17-G20 VanDerWaalsContact O-N 3.14Å; L17-L34 HydrophobicContact CD2-CB 3.84Å; L17-K36 HydrophobicContact CB-CB 3.99Å; L17-K36 HydrophobicContact CB-CD 3.94Å; L17-K36 HydrophobicContact CD1-CB 4.36Å; L17-K36 HydrophobicContact CD2-CB 4.44Å; L17-I42 HydrophobicContact CD1-CD1 4.01Å; L17-I42 HydrophobicContact CD1-CG1 4.42Å | ||
| 18 | E | 76.5 | Confident | 79 | Confident | 177 Ų | 177 | 89.9 Ų | 89.9 | 83% | 0.827 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -30.6 | 176.4 | -68.6 | -175.3 | 176.5 | 0 | 0 | 111.8 | D16 G20 | D16-E18 WeakPolarHBondContact OD1-CB 3.32Å; D16-E18 VanDerWaalsContact OD1-CG 3.26Å; D16-E18 WeakPolarHBondContact OD1-CG 3.39Å; D16-E18 PolarHBondContact OD1-N 2.82Å; E18-G20 PolarHBondContact O-N 3.24Å |
| 19 | K | 75.2 | Confident | 78.5 | Confident | 181 Ų | 181 | 83.2 Ų | 83.2 | 79% | 0.787 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | 8.7 | 176.9 | -61.6 | -179.1 | -177.1 | 174.5 | 0 | 114 | L17 S21 | L17-K19 PolarHBondContact O-N 3.06Å; K19-S21 PolarHBondContact O-N 2.81Å |
| 20 | G | 82.7 | Confident | 78.2 | Confident | 28 Ų | 28 | 80.7 Ų | 80.7 | 29% | 0.289 | 41% | 0.41 | S | S | . | . | S | Bend | trans | 78.6 | -14.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | L17 E18 I35 K36 | L17-G20 PolarHBondContact O-N 2.82Å; L17-G20 VanDerWaalsContact O-N 3.14Å; E18-G20 PolarHBondContact O-N 3.24Å; G20-I35 CarbonylContact O-C 3.56Å; G20-I35 WeakPolarHBondContact O-CA 3.48Å; G20-K36 PolarHBondContact O-N 3.05Å |
| 21 | S | 85.6 | Confident | 78 | Confident | 59 Ų | 59 | 77.5 Ų | 77.5 | 41% | 0.413 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 157 | 170.4 | 69.1 | 0 | 0 | 0 | 0 | 112.7 | K19 L34 | K19-S21 PolarHBondContact O-N 2.81Å; S21-L34 CarbonylContact C-O 3.39Å; S21-L34 WeakPolarHBondContact CA-O 2.9Å; S21-L34 VanDerWaalsContact CB-O 3.29Å; S21-L34 WeakPolarHBondContact CB-O 3.05Å |
| 22 | S | 85.2 | Confident | 78.1 | Confident | 23 Ų | 23 | 77.2 Ų | 77.2 | 16% | 0.161 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 129.5 | 174 | -175.1 | 0 | 0 | 0 | 0 | 109.3 | L34 | S22-L34 PolarHBondContact N-O 2.77Å; S22-L34 PolarHBondContact O-N 2.83Å |
| 23 | K | 84.6 | Confident | 78.2 | Confident | 120 Ų | 120 | 72.3 Ų | 72.3 | 52% | 0.522 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 136.3 | 170.7 | -171 | 178.4 | 178.4 | -174.1 | 0 | 109.4 | E31 F32 | K23-E31 WeakPolarHBondContact CE-OE1 2.72Å; K23-E31 WeakPolarHBondContact CE-OE2 3.42Å; K23-E31 IonicContact NZ-OE1 2.8Å; K23-E31 PolarHBondContact NZ-OE1 3.16Å; K23-E31 IonicContact NZ-OE2 2.69Å; K23-E31 PolarHBondContact NZ-OE2 3.1Å; K23-F32 CarbonylContact C-O 3.59Å; K23-F32 WeakPolarHBondContact CA-O 3.11Å |
| 24 | V | 79.5 | Confident | 78.6 | Confident | 9 Ų | 9 | 70.6 Ų | 70.6 | 6% | 0.055 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 120.6 | 176.9 | 179.2 | 0 | 0 | 0 | 0 | 107.7 | F13 L26 E31 F32 L34 | F13-V24 HydrophobicContact CB-CG1 4.17Å; F13-V24 HydrophobicContact CB-CG2 4.45Å; F13-V24 HydrophobicContact CD1-CG1 3.27Å; F13-V24 HydrophobicContact CD2-CG1 3.88Å; F13-V24 HydrophobicContact CE1-CG1 3.54Å; F13-V24 HydrophobicContact CE2-CG1 4.13Å; F13-V24 HydrophobicContact CG-CG1 3.46Å; F13-V24 VanDerWaalsContact CG-CG1 3.46Å; F13-V24 HydrophobicContact CZ-CG1 4Å; V24-L26 HydrophobicContact CG1-CD2 4.29Å; V24-E31 WeakPolarHBondContact O-CA 3.41Å; V24-F32 PolarHBondContact N-O 2.69Å; V24-F32 PolarHBondContact O-N 3.46Å; V24-L34 HydrophobicContact CG2-CD1 3.64Å; V24-L34 HydrophobicContact CG2-CG 4.09Å |
| 25 | T | 77 | Confident | 78.9 | Confident | 85 Ų | 85 | 65.8 Ų | 65.8 | 52% | 0.521 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 128.3 | 174.5 | -59.5 | 0 | 0 | 0 | 0 | 108.4 | E31 | T25-E31 HydrophobicContact CG2-CG 4.38Å; T25-E31 PolarHBondContact OG1-OE1 2.81Å |
| 26 | L | 73.1 | Confident | 79.3 | Confident | 12 Ų | 12 | 68.4 Ų | 68.4 | 6% | 0.063 | 35% | 0.351 | C | S | . | . | P | Polyproline II helix | trans | -98.7 | 168.1 | 175.9 | -56.2 | 174.1 | 0 | 0 | 0 | 111 | L6 F13 V24 H30 F32 | L6-L26 HydrophobicContact CD1-CB 4.45Å; L6-L26 HydrophobicContact CD1-CD1 3.36Å; L6-L26 HydrophobicContact CD1-CD2 3.6Å; L6-L26 HydrophobicContact CD1-CG 3.99Å; L6-L26 HydrophobicContact CD2-CD1 3.93Å; L6-L26 HydrophobicContact CG-CD1 4.26Å; F13-L26 HydrophobicContact CE1-CD2 3.87Å; F13-L26 HydrophobicContact CE2-CD2 3.59Å; F13-L26 HydrophobicContact CZ-CD2 3.09Å; V24-L26 HydrophobicContact CG1-CD2 4.29Å; L26-H30 HydrophobicContact CB-CB 4.14Å; L26-H30 WeakPolarHBondContact CB-O 3.1Å; L26-H30 HydrophobicContact CD1-CB 3.81Å; L26-H30 HydrophobicContact CG-CB 4.45Å; L26-H30 PolarHBondContact N-O 2.83Å; L26-F32 HydrophobicContact CD1-CD2 3.31Å; L26-F32 HydrophobicContact CD1-CE2 3.13Å; L26-F32 HydrophobicContact CD1-CZ 4.36Å; L26-F32 HydrophobicContact CG-CD2 3.9Å; L26-F32 HydrophobicContact CG-CE2 4.19Å |
| 27 | E | 69.1 | Low | 79.5 | Confident | 138 Ų | 138 | 66.1 Ų | 66.1 | 65% | 0.645 | 34% | 0.34 | S | S | * | . | G | 310 helix | trans | -57.8 | 151.9 | 163.5 | -61.7 | -177.8 | 162.6 | 0 | 0 | 110.6 | Q11 G29 | Q11-E27 PolarHBondContact NE2-OE2 3.34Å; E27-G29 VanDerWaalsContact C-N 3.32Å; E27-G29 PolarHBondContact O-N 2.79Å |
| 28 | L | 70 | Confident | 79.7 | Confident | 146 Ų | 146 | 72.1 Ų | 72.1 | 76% | 0.764 | 38% | 0.38 | S | S | * | . | G | 310 helix | trans | 66.2 | 24.3 | -178.5 | -48.5 | 171.3 | 0 | 0 | 0 | 115.2 | H30 | L28-H30 VanDerWaalsContact C-N 3.28Å; L28-H30 PolarHBondContact O-N 2.82Å; L28-H30 PolarHBondContact O-ND1 2.8Å; L28-H30 VanDerWaalsContact O-ND1 3.15Å |
| 29 | G | 69.6 | Low | 80.4 | Confident | 18 Ų | 18 | 72.2 Ų | 72.2 | 19% | 0.186 | 38% | 0.378 | C | S | . | . | G | 310 helix | trans | 72.6 | 13.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | E27 | E27-G29 VanDerWaalsContact C-N 3.32Å; E27-G29 PolarHBondContact O-N 2.79Å |
| 30 | H | 71.3 | Confident | 80.7 | Confident | 76 Ų | 76 | 68.8 Ų | 68.8 | 35% | 0.352 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 130.5 | 172.7 | -68.5 | 75.8 | 0 | 0 | 0 | 108.9 | L26 L28 F32 | L26-H30 HydrophobicContact CB-CB 4.14Å; L26-H30 WeakPolarHBondContact CB-O 3.1Å; L26-H30 HydrophobicContact CD1-CB 3.81Å; L26-H30 HydrophobicContact CG-CB 4.45Å; L26-H30 PolarHBondContact N-O 2.83Å; L28-H30 VanDerWaalsContact C-N 3.28Å; L28-H30 PolarHBondContact O-N 2.82Å; L28-H30 PolarHBondContact O-ND1 2.8Å; L28-H30 VanDerWaalsContact O-ND1 3.15Å; H30-F32 HydrophobicContact CB-CE2 4.23Å |
| 31 | E | 76.5 | Confident | 80.9 | Confident | 33 Ų | 33 | 72.1 Ų | 72.1 | 15% | 0.154 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 141.8 | 175.3 | -58.8 | -167.8 | 135.6 | 0 | 0 | 109.6 | K23 V24 T25 V47 Y49 | K23-E31 WeakPolarHBondContact CE-OE1 2.72Å; K23-E31 WeakPolarHBondContact CE-OE2 3.42Å; K23-E31 IonicContact NZ-OE1 2.8Å; K23-E31 PolarHBondContact NZ-OE1 3.16Å; K23-E31 IonicContact NZ-OE2 2.69Å; K23-E31 PolarHBondContact NZ-OE2 3.1Å; V24-E31 WeakPolarHBondContact O-CA 3.41Å; T25-E31 HydrophobicContact CG2-CG 4.38Å; T25-E31 PolarHBondContact OG1-OE1 2.81Å; E31-V47 HydrophobicContact CB-CB 4.46Å; E31-V47 PolarHBondContact N-O 3.35Å; E31-V47 VanDerWaalsContact N-O 3.1Å; E31-V47 CarbonylContact O-C 3.59Å; E31-V47 WeakPolarHBondContact O-CA 3.35Å; E31-V47 PolarHBondContact O-N 2.89Å; E31-Y49 HydrophobicContact CG-CD2 4.21Å; E31-Y49 HydrophobicContact CG-CE2 4.36Å; E31-Y49 WeakPolarHBondContact OE2-CE2 3.49Å |
| 32 | F | 81.2 | Confident | 80.8 | Confident | 29 Ų | 29 | 73.7 Ų | 73.7 | 13% | 0.127 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 143.4 | 175.6 | -73.3 | -87.1 | 0 | 0 | 0 | 109.3 | K23 V24 L26 H30 I44 L45 S46 | K23-F32 CarbonylContact C-O 3.59Å; K23-F32 WeakPolarHBondContact CA-O 3.11Å; V24-F32 PolarHBondContact N-O 2.69Å; V24-F32 PolarHBondContact O-N 3.46Å; L26-F32 HydrophobicContact CD1-CD2 3.31Å; L26-F32 HydrophobicContact CD1-CE2 3.13Å; L26-F32 HydrophobicContact CD1-CZ 4.36Å; L26-F32 HydrophobicContact CG-CD2 3.9Å; L26-F32 HydrophobicContact CG-CE2 4.19Å; H30-F32 HydrophobicContact CB-CE2 4.23Å; F32-I44 HydrophobicContact CB-CG2 4.33Å; F32-I44 HydrophobicContact CD1-CG2 3.43Å; F32-I44 VanDerWaalsContact CD1-CG2 3.43Å; F32-I44 HydrophobicContact CE1-CG2 4.09Å; F32-I44 HydrophobicContact CG-CG2 4.24Å; F32-L45 CarbonylContact C-O 3.33Å; F32-L45 WeakPolarHBondContact CA-O 3.41Å; F32-S46 VanDerWaalsContact CE1-CB 3.41Å; F32-S46 VanDerWaalsContact CE1-OG 3.22Å; F32-S46 WeakPolarHBondContact CE1-OG 3.48Å |
| 33 | I | 84 | Confident | 80.8 | Confident | 51 Ų | 51 | 75.3 Ų | 75.3 | 26% | 0.262 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 113.8 | 169.4 | -56.1 | 174.5 | 0 | 0 | 0 | 106.8 | I35 L45 V47 | I33-I35 HydrophobicContact CG2-CD1 4.44Å; I33-I35 HydrophobicContact CG2-CG1 3.91Å; I33-L45 HydrophobicContact CB-CB 4.28Å; I33-L45 HydrophobicContact CD1-CD2 4.49Å; I33-L45 PolarHBondContact N-O 2.92Å; I33-L45 PolarHBondContact O-N 2.84Å; I33-V47 HydrophobicContact CD1-CG2 4.14Å; I33-V47 HydrophobicContact CG1-CG2 4.39Å |
| 34 | L | 86.7 | Confident | 80.6 | Confident | 0 Ų | 0 | 74.4 Ų | 74.4 | 0% | 0 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 129.5 | 169.3 | -62.6 | 173.7 | 0 | 0 | 0 | 107.8 | I2 C15 L17 S21 S22 V24 I42 I44 | I2-L34 HydrophobicContact CD1-CD1 3.75Å; I2-L34 HydrophobicContact CD1-CD2 4.32Å; I2-L34 HydrophobicContact CG2-CD1 4.39Å; C15-L34 HydrophobicContact CB-CD1 3.88Å; L17-L34 HydrophobicContact CD2-CB 3.84Å; S21-L34 CarbonylContact C-O 3.39Å; S21-L34 WeakPolarHBondContact CA-O 2.9Å; S21-L34 VanDerWaalsContact CB-O 3.29Å; S21-L34 WeakPolarHBondContact CB-O 3.05Å; S22-L34 PolarHBondContact N-O 2.77Å; S22-L34 PolarHBondContact O-N 2.83Å; V24-L34 HydrophobicContact CG2-CD1 3.64Å; V24-L34 HydrophobicContact CG2-CG 4.09Å; L34-I42 HydrophobicContact CD2-CG2 4.49Å; L34-I44 HydrophobicContact CD2-CB 4.46Å; L34-I44 HydrophobicContact CD2-CD1 4.2Å; L34-I44 HydrophobicContact CD2-CG1 3.75Å; L34-I44 HydrophobicContact CD2-CG2 4.4Å |
| 35 | I | 86.9 | Confident | 80.8 | Confident | 64 Ų | 64 | 78.4 Ų | 78.4 | 33% | 0.328 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 122.9 | 179.4 | -56.5 | 174.6 | 0 | 0 | 0 | 108 | G20 I33 I42 S43 | G20-I35 CarbonylContact O-C 3.56Å; G20-I35 WeakPolarHBondContact O-CA 3.48Å; I33-I35 HydrophobicContact CG2-CD1 4.44Å; I33-I35 HydrophobicContact CG2-CG1 3.91Å; I35-I42 CarbonylContact O-C 3.58Å; I35-I42 WeakPolarHBondContact O-CA 3.49Å; I35-S43 PolarHBondContact N-O 3.15Å; I35-S43 PolarHBondContact O-N 2.82Å |
| 36 | K | 87.4 | Confident | 80.6 | Confident | 80 Ų | 80 | 77.3 Ų | 77.3 | 35% | 0.348 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 108.8 | 171.4 | -174.1 | -178.1 | -177.5 | -177.6 | 0 | 108.4 | L17 G20 N40 N41 | L17-K36 HydrophobicContact CB-CB 3.99Å; L17-K36 HydrophobicContact CB-CD 3.94Å; L17-K36 HydrophobicContact CD1-CB 4.36Å; L17-K36 HydrophobicContact CD2-CB 4.44Å; G20-K36 PolarHBondContact O-N 3.05Å; K36-N40 WeakPolarHBondContact CE-OD1 3.22Å; K36-N40 PolarHBondContact NZ-OD1 2.82Å; K36-N40 VanDerWaalsContact NZ-OD1 3.16Å; K36-N41 WeakPolarHBondContact CA-O 3.47Å |
| 37 | T | 85.8 | Confident | 80.2 | Confident | 39 Ų | 39 | 78.9 Ų | 78.9 | 24% | 0.239 | 42% | 0.42 | C | S | . | . | trans | -67.8 | 158.8 | 177.7 | 66.2 | 0 | 0 | 0 | 0 | 111.1 | K39 N40 N41 | T37-K39 PolarHBondContact O-N 3.39Å; T37-K39 VanDerWaalsContact O-N 3.09Å; T37-N40 WeakPolarHBondContact O-CA 3.49Å; T37-N40 PolarHBondContact O-N 3.48Å; T37-N41 HydrophobicContact CG2-CB 4.42Å; T37-N41 PolarHBondContact N-O 2.81Å; T37-N41 WeakPolarHBondContact OG1-CA 3.35Å; T37-N41 WeakPolarHBondContact OG1-CB 3.26Å; T37-N41 PolarHBondContact OG1-N 3.29Å; T37-N41 PolarHBondContact OG1-O 3Å; T37-N41 VanDerWaalsContact OG1-O 3.06Å | ||
| 38 | P | 85.6 | Confident | 80 | Confident | 146 Ų | 146 | 75.4 Ų | 75.4 | 95% | 0.948 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -23.2 | 173.3 | -26.1 | 35.2 | 0 | 0 | 0 | 114 | N40 | P38-N40 PolarHBondContact O-N 3.47Š|
| 39 | K | 91.2 | Very high | 79.5 | Confident | 179 Ų | 179 | 75 Ų | 75 | 78% | 0.778 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | 9.3 | 173.9 | -64.6 | -174.7 | 178.8 | -179.1 | 0 | 113.4 | T37 N41 | T37-K39 PolarHBondContact O-N 3.39Å; T37-K39 VanDerWaalsContact O-N 3.09Å; K39-N41 PolarHBondContact O-N 3.41Å |
| 40 | N | 82.6 | Confident | 78.7 | Confident | 110 Ų | 110 | 84.9 Ų | 84.9 | 59% | 0.588 | 43% | 0.434 | S | S | * | . | S | Bend | trans | 65.1 | 13.9 | -177.1 | -156.8 | 52.8 | 0 | 0 | 0 | 114.8 | K36 T37 P38 | K36-N40 WeakPolarHBondContact CE-OD1 3.22Å; K36-N40 PolarHBondContact NZ-OD1 2.82Å; K36-N40 VanDerWaalsContact NZ-OD1 3.16Å; T37-N40 WeakPolarHBondContact O-CA 3.49Å; T37-N40 PolarHBondContact O-N 3.48Å; P38-N40 PolarHBondContact O-N 3.47Å |
| 41 | N | 85.1 | Confident | 78 | Confident | 98 Ų | 98 | 88.8 Ų | 88.8 | 52% | 0.524 | 45% | 0.45 | S | S | . | . | trans | -78.9 | 147.9 | 169.6 | -58.9 | -34.5 | 0 | 0 | 0 | 110.4 | K36 T37 K39 | K36-N41 WeakPolarHBondContact CA-O 3.47Å; T37-N41 HydrophobicContact CG2-CB 4.42Å; T37-N41 PolarHBondContact N-O 2.81Å; T37-N41 WeakPolarHBondContact OG1-CA 3.35Å; T37-N41 WeakPolarHBondContact OG1-CB 3.26Å; T37-N41 PolarHBondContact OG1-N 3.29Å; T37-N41 PolarHBondContact OG1-O 3Å; T37-N41 VanDerWaalsContact OG1-O 3.06Å; K39-N41 PolarHBondContact O-N 3.41Å | ||
| 42 | I | 84.5 | Confident | 76.4 | Confident | 91 Ų | 91 | 100.6 Ų | 100.6 | 47% | 0.467 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 123.7 | 175.6 | -53.9 | -178.2 | 0 | 0 | 0 | 108.5 | I2 L17 L34 I35 | I2-I42 HydrophobicContact CD1-CD1 3.95Å; I2-I42 HydrophobicContact CD1-CG2 4.12Å; L17-I42 HydrophobicContact CD1-CD1 4.01Å; L17-I42 HydrophobicContact CD1-CG1 4.42Å; L34-I42 HydrophobicContact CD2-CG2 4.49Å; I35-I42 CarbonylContact O-C 3.58Å; I35-I42 WeakPolarHBondContact O-CA 3.49Å |
| 43 | S | 84.2 | Confident | 76.2 | Confident | 58 Ų | 58 | 104.2 Ų | 104.2 | 41% | 0.406 | 52% | 0.519 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 145.2 | 173.1 | -60 | 0 | 0 | 0 | 0 | 109.3 | I35 | I35-S43 PolarHBondContact N-O 3.15Å; I35-S43 PolarHBondContact O-N 2.82Å |
| 44 | I | 82.2 | Confident | 75.8 | Confident | 101 Ų | 101 | 106.9 Ų | 106.9 | 52% | 0.518 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 121 | 178.1 | -52.6 | -174.8 | 0 | 0 | 0 | 107.3 | F32 L34 | F32-I44 HydrophobicContact CB-CG2 4.33Å; F32-I44 HydrophobicContact CD1-CG2 3.43Å; F32-I44 VanDerWaalsContact CD1-CG2 3.43Å; F32-I44 HydrophobicContact CE1-CG2 4.09Å; F32-I44 HydrophobicContact CG-CG2 4.24Å; L34-I44 HydrophobicContact CD2-CB 4.46Å; L34-I44 HydrophobicContact CD2-CD1 4.2Å; L34-I44 HydrophobicContact CD2-CG1 3.75Å; L34-I44 HydrophobicContact CD2-CG2 4.4Å |
| 45 | L | 82.7 | Confident | 75.2 | Confident | 92 Ų | 92 | 112.9 Ų | 112.9 | 48% | 0.482 | 56% | 0.562 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -104.1 | 114.6 | 170.4 | -176.7 | 67.9 | 0 | 0 | 0 | 108.3 | F32 I33 | F32-L45 CarbonylContact C-O 3.33Å; F32-L45 WeakPolarHBondContact CA-O 3.41Å; I33-L45 HydrophobicContact CB-CB 4.28Å; I33-L45 HydrophobicContact CD1-CD2 4.49Å; I33-L45 PolarHBondContact N-O 2.92Å; I33-L45 PolarHBondContact O-N 2.84Å |
| 46 | S | 72.9 | Confident | 74.5 | Confident | 62 Ų | 62 | 115.8 Ų | 115.8 | 43% | 0.434 | 58% | 0.576 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -78.3 | 126.2 | 175.5 | -167.6 | 0 | 0 | 0 | 0 | 110 | F32 | F32-S46 VanDerWaalsContact CE1-CB 3.41Å; F32-S46 VanDerWaalsContact CE1-OG 3.22Å; F32-S46 WeakPolarHBondContact CE1-OG 3.48Å |
| 47 | V | 64.8 | Low | 73.7 | Confident | 45 Ų | 45 | 118 Ų | 118 | 27% | 0.273 | 59% | 0.591 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -118.3 | 91.1 | 169.1 | -173.6 | 0 | 0 | 0 | 0 | 107.1 | E31 I33 Y49 | E31-V47 HydrophobicContact CB-CB 4.46Å; E31-V47 PolarHBondContact N-O 3.35Å; E31-V47 VanDerWaalsContact N-O 3.1Å; E31-V47 CarbonylContact O-C 3.59Å; E31-V47 WeakPolarHBondContact O-CA 3.35Å; E31-V47 PolarHBondContact O-N 2.89Å; I33-V47 HydrophobicContact CD1-CG2 4.14Å; I33-V47 HydrophobicContact CG1-CG2 4.39Å; V47-Y49 HydrophobicContact CG1-CD2 4.27Å; V47-Y49 HydrophobicContact CG1-CE2 3.75Å; V47-Y49 PolarHBondContact O-N 2.84Å |
| 48 | S | 64.2 | Low | 72.9 | Confident | 65 Ų | 65 | 123.3 Ų | 123.3 | 46% | 0.455 | 61% | 0.614 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -80.6 | 116.6 | 175.7 | -60.9 | 0 | 0 | 0 | 0 | 109.2 | ||
| 49 | Y | 60.5 | Low | 71.9 | Confident | 139 Ų | 139 | 121.6 Ų | 121.6 | 55% | 0.545 | 59% | 0.59 | S | S | . | * | trans | -84.6 | 125.2 | 163.8 | -76.6 | -91.4 | 0 | 0 | 0 | 108.9 | E31 V47 F51 | E31-Y49 HydrophobicContact CG-CD2 4.21Å; E31-Y49 HydrophobicContact CG-CE2 4.36Å; E31-Y49 WeakPolarHBondContact OE2-CE2 3.49Å; V47-Y49 HydrophobicContact CG1-CD2 4.27Å; V47-Y49 HydrophobicContact CG1-CE2 3.75Å; V47-Y49 PolarHBondContact O-N 2.84Å; Y49-F51 PolarHBondContact O-N 3.1Å | ||
| 50 | Y | 53.3 | Low | 70.5 | Confident | 225 Ų | 225 | 117.2 Ų | 117.2 | 88% | 0.882 | 58% | 0.576 | S | S | * | * | trans | -79.9 | 110.5 | 162.7 | -84.5 | -92 | 0 | 0 | 0 | 107.8 | K52 | Y50-K52 PolarHBondContact O-N 3.32Š| ||
| 51 | F | 55.2 | Low | 69.5 | Low | 158 Ų | 158 | 117.8 Ų | 117.8 | 69% | 0.693 | 58% | 0.575 | S | S | * | * | trans | -65.5 | 129.7 | 158.6 | -70.8 | -73.4 | 0 | 0 | 0 | 107.9 | Y49 | Y49-F51 PolarHBondContact O-N 3.1Š| ||
| 52 | K | 43.8 | Very low | 68 | Low | 280 Ų | 280 | 119.6 Ų | 119.6 | 100% | 1.217 | 58% | 0.579 | S | S | * | * | trans | -64.4 | 0 | 165.7 | -92 | -175 | 175.2 | -179.8 | 0 | 110.7 | Y50 | Y50-K52 PolarHBondContact O-N 3.32Š|
Retrieved 52 of 52 residues in 71.9 ms
(Link to these results)