| 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 | 54.5 | Low | 84.2 | Confident | 198 Ų | 198 | 79.4 Ų | 79.4 | 98% | 0.975 | 46% | 0.461 | S | S | * | . | 0 | 135.1 | 0 | -74 | -171.3 | 167.7 | 0 | 0 | 107 | R53 | M1-R53 PolarHBondContact O-NH2 2.88Š| |||
| 2 | A | 72.8 | Confident | 85 | Confident | 94 Ų | 94 | 75.6 Ų | 75.6 | 78% | 0.777 | 44% | 0.436 | S | S | * | . | P | Polyproline II helix | trans | -69.3 | 132.5 | 176 | 0 | 0 | 0 | 0 | 0 | 110 | ||
| 3 | L | 85.4 | Confident | 85.8 | Confident | 56 Ų | 56 | 74 Ų | 74 | 29% | 0.293 | 43% | 0.428 | S | S | . | . | P | Polyproline II helix | trans | -78.3 | 162.2 | 173.7 | -61.6 | 178.3 | 0 | 0 | 0 | 110 | F6 F16 E49 | L3-F6 HydrophobicContact CD1-CE2 4.38Å; L3-F6 HydrophobicContact CD1-CZ 3.86Å; L3-F16 HydrophobicContact CD1-CD1 4.35Å; L3-F16 HydrophobicContact CD1-CE1 3.56Å; L3-F16 HydrophobicContact CD1-CZ 4.1Å; L3-F16 HydrophobicContact CD2-CD1 4.05Å; L3-F16 HydrophobicContact CD2-CE1 3.81Å; L3-F16 HydrophobicContact CG-CE1 4.27Å; L3-E49 HydrophobicContact CB-CG 4.49Å; L3-E49 HydrophobicContact CD1-CB 4.04Å; L3-E49 HydrophobicContact CD1-CG 3.71Å; L3-E49 HydrophobicContact CG-CG 3.95Å; L3-E49 PolarHBondContact N-OE2 2.83Å |
| 4 | R | 88.4 | Confident | 86.4 | Confident | 135 Ų | 135 | 71.1 Ų | 71.1 | 51% | 0.509 | 41% | 0.407 | S | S | . | . | P | Polyproline II helix | trans | -63.2 | 150.1 | 168.7 | -71.4 | -175.5 | 176 | -174.7 | -2.7 | 109.3 | F6 R14 C224 | R4-F6 PolarHBondContact O-N 3.27Å; R4-R14 PolarHBondContact O-NH1 3.4Å; R4-C224 VanDerWaalsContact NH2-CB 3.34Å; R4-C224 PolarHBondContact NH2-SG 3.43Å |
| 5 | P | 90.3 | Very high | 86.8 | Confident | 91 Ų | 91 | 70.3 Ų | 70.3 | 59% | 0.591 | 40% | 0.397 | S | S | * | . | P | Polyproline II helix | trans | -55.4 | 138.7 | 173 | -25.7 | 35.1 | 0 | 0 | 0 | 111.6 | R14 D45 | P5-R14 PolarHBondContact O-NH2 2.82Å; P5-D45 WeakPolarHBondContact CA-OD1 3.4Å |
| 6 | F | 90.6 | Very high | 87.1 | Confident | 18 Ų | 18 | 67.4 Ų | 67.4 | 8% | 0.079 | 38% | 0.379 | C | S | . | . | P | Polyproline II helix | trans | -79.1 | 153.2 | 179.1 | -65.4 | -92 | 0 | 0 | 0 | 111.3 | L3 R4 F8 E12 R14 F16 I27 D45 I48 E49 V52 | L3-F6 HydrophobicContact CD1-CE2 4.38Å; L3-F6 HydrophobicContact CD1-CZ 3.86Å; R4-F6 PolarHBondContact O-N 3.27Å; F6-F8 HydrophobicContact CB-CB 4.44Å; F6-F8 PolarHBondContact O-N 3.29Å; F6-E12 VanDerWaalsContact CA-OE2 3.28Å; F6-E12 WeakPolarHBondContact CA-OE2 3.11Å; F6-R14 VanDerWaalsContact CD1-CZ 3.48Å; F6-R14 VanDerWaalsContact CE1-NH1 3.27Å; F6-F16 HydrophobicContact CE1-CZ 4.21Å; F6-F16 HydrophobicContact CZ-CZ 4.39Å; F6-I27 HydrophobicContact CD1-CD1 3.46Å; F6-I27 VanDerWaalsContact CD1-CD1 3.46Å; F6-I27 HydrophobicContact CE1-CD1 3.36Å; F6-I27 HydrophobicContact CZ-CD1 4.49Å; F6-D45 HydrophobicContact CD2-CB 4.4Å; F6-D45 PolarHBondContact N-OD1 3.49Å; F6-I48 HydrophobicContact CB-CD1 4.27Å; F6-I48 HydrophobicContact CD1-CG2 3.8Å; F6-I48 HydrophobicContact CD2-CB 3.91Å; F6-I48 HydrophobicContact CD2-CG2 3.74Å; F6-I48 HydrophobicContact CE1-CG2 3.71Å; F6-I48 HydrophobicContact CE2-CB 3.95Å; F6-I48 HydrophobicContact CE2-CG2 3.66Å; F6-I48 HydrophobicContact CG-CB 4.34Å; F6-I48 HydrophobicContact CG-CD1 4.46Å; F6-I48 HydrophobicContact CG-CG2 3.8Å; F6-I48 HydrophobicContact CZ-CB 4.4Å; F6-I48 HydrophobicContact CZ-CG2 3.64Å; F6-E49 HydrophobicContact CE2-CB 4.25Å; F6-V52 HydrophobicContact CZ-CG2 4.38Å |
| 7 | S | 88.7 | Confident | 87.2 | Confident | 56 Ų | 56 | 69.2 Ų | 69.2 | 39% | 0.392 | 39% | 0.392 | S | S | . | . | trans | -84.8 | 20.5 | 175 | 64.4 | 0 | 0 | 0 | 0 | 112.8 | S10 E12 | S7-S10 WeakPolarHBondContact O-CA 2.84Å; S7-S10 WeakPolarHBondContact O-CB 3.43Å; S7-S10 PolarHBondContact O-N 2.58Å; S7-E12 PolarHBondContact N-OE2 3.23Å; S7-E12 WeakPolarHBondContact OG-CB 3.39Å; S7-E12 VanDerWaalsContact OG-CD 3.3Å; S7-E12 WeakPolarHBondContact OG-CG 3.45Å; S7-E12 PolarHBondContact OG-OE2 3.32Å | ||
| 8 | F | 86.1 | Confident | 87.2 | Confident | 21 Ų | 21 | 67.3 Ų | 67.3 | 9% | 0.092 | 39% | 0.386 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | 137 | -178.1 | -172.2 | -91.8 | 0 | 0 | 0 | 110.3 | F6 I27 F33 F44 I48 F70 L101 | F6-F8 HydrophobicContact CB-CB 4.44Å; F6-F8 PolarHBondContact O-N 3.29Å; F8-I27 HydrophobicContact CD2-CG2 4.35Å; F8-F33 AromaticContact CE1-CD1 3.76Å; F8-F33 HydrophobicContact CE1-CD1 3.76Å; F8-F33 AromaticContact CE1-CE1 3.86Å; F8-F33 HydrophobicContact CE1-CE1 3.86Å; F8-F33 HydrophobicContact CE1-CG 4.13Å; F8-F33 HydrophobicContact CE1-CZ 4.32Å; F8-F33 AromaticContact CZ-CD1 3.82Å; F8-F33 HydrophobicContact CZ-CD1 3.82Å; F8-F33 AromaticContact CZ-CD2 3.81Å; F8-F33 HydrophobicContact CZ-CD2 3.81Å; F8-F33 AromaticContact CZ-CE1 3.81Å; F8-F33 HydrophobicContact CZ-CE1 3.81Å; F8-F33 AromaticContact CZ-CE2 3.81Å; F8-F33 HydrophobicContact CZ-CE2 3.81Å; F8-F33 AromaticContact CZ-CG 3.83Å; F8-F33 HydrophobicContact CZ-CG 3.83Å; F8-F33 AromaticContact CZ-CZ 3.82Å; F8-F33 HydrophobicContact CZ-CZ 3.82Å; F8-F44 HydrophobicContact CD1-CD2 4.04Å; F8-F44 HydrophobicContact CE1-CD2 4.24Å; F8-I48 HydrophobicContact CB-CD1 3.61Å; F8-I48 HydrophobicContact CD1-CD1 4.27Å; F8-I48 HydrophobicContact CD2-CD1 4.19Å; F8-I48 HydrophobicContact CG-CD1 3.75Å; F8-F70 HydrophobicContact CD1-CE1 4.5Å; F8-F70 HydrophobicContact CD1-CZ 4.43Å; F8-F70 AromaticContact CE1-CE1 3.66Å; F8-F70 HydrophobicContact CE1-CE1 3.66Å; F8-F70 AromaticContact CE1-CZ 3.97Å; F8-F70 HydrophobicContact CE1-CZ 3.97Å; F8-F70 HydrophobicContact CE2-CE1 4.44Å; F8-F70 AromaticContact CZ-CE1 3.62Å; F8-F70 HydrophobicContact CZ-CE1 3.62Å; F8-F70 HydrophobicContact CZ-CZ 4.32Å; F8-L101 HydrophobicContact CD2-CD1 4.04Å; F8-L101 HydrophobicContact CE2-CB 4.13Å; F8-L101 HydrophobicContact CE2-CD1 3.76Å; F8-L101 HydrophobicContact CE2-CG 4.49Å; F8-L101 HydrophobicContact CZ-CB 4.48Å; F8-L101 HydrophobicContact CZ-CD1 4.48Å |
| 9 | P | 88.1 | Confident | 87 | Confident | 34 Ų | 34 | 71.5 Ų | 71.5 | 22% | 0.221 | 41% | 0.407 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -84.8 | -4.7 | 15 | 34 | -34.9 | 0 | 0 | 0 | 115.4 | F33 V38 | P9-F33 HydrophobicContact CB-CB 3.98Å; P9-V38 HydrophobicContact CB-CG2 4.41Å; P9-V38 HydrophobicContact CG-CG2 4.07Å |
| 10 | S | 89.2 | Confident | 87 | Confident | 70 Ų | 70 | 71.8 Ų | 71.8 | 49% | 0.49 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -63.6 | 136.4 | 179.7 | -65.1 | 0 | 0 | 0 | 0 | 111 | S7 E12 | S7-S10 WeakPolarHBondContact O-CA 2.84Å; S7-S10 WeakPolarHBondContact O-CB 3.43Å; S7-S10 PolarHBondContact O-N 2.58Å; S10-E12 PolarHBondContact O-N 3.03Å |
| 11 | P | 92.1 | Very high | 87 | Confident | 100 Ų | 100 | 70.4 Ų | 70.4 | 65% | 0.649 | 40% | 0.404 | S | S | * | . | trans | -54.7 | 128.5 | 177.4 | -26.7 | 34.4 | 0 | 0 | 0 | 112 | I27 R28 | P11-I27 WeakPolarHBondContact CA-O 3.33Å; P11-R28 HydrophobicContact CB-CG 4.48Å | ||
| 12 | E | 93.6 | Very high | 88.8 | Confident | 34 Ų | 34 | 61.4 Ų | 61.4 | 16% | 0.159 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 145.6 | -176.5 | -161.6 | 174.5 | 179.8 | 0 | 0 | 111.2 | F6 S7 S10 R14 K26 I27 | F6-E12 VanDerWaalsContact CA-OE2 3.28Å; F6-E12 WeakPolarHBondContact CA-OE2 3.11Å; S7-E12 PolarHBondContact N-OE2 3.23Å; S7-E12 WeakPolarHBondContact OG-CB 3.39Å; S7-E12 VanDerWaalsContact OG-CD 3.3Å; S7-E12 WeakPolarHBondContact OG-CG 3.45Å; S7-E12 PolarHBondContact OG-OE2 3.32Å; S10-E12 PolarHBondContact O-N 3.03Å; E12-R14 HydrophobicContact CG-CG 4.19Å; E12-R14 IonicContact OE1-CZ 3.74Å; E12-R14 IonicContact OE1-NE 3.92Å; E12-R14 PolarHBondContact OE1-NE 3.18Å; E12-R14 IonicContact OE1-NH2 2.72Å; E12-R14 PolarHBondContact OE1-NH2 3.39Å; E12-R14 IonicContact OE2-CZ 3.9Å; E12-R14 IonicContact OE2-NE 2.74Å; E12-R14 PolarHBondContact OE2-NE 2.9Å; E12-R14 IonicContact OE2-NH2 3.93Å; E12-R14 PolarHBondContact OE2-NH2 3.26Å; E12-K26 CarbonylContact O-C 3.55Å; E12-K26 WeakPolarHBondContact O-CA 3.26Å; E12-I27 PolarHBondContact N-O 2.96Å; E12-I27 PolarHBondContact O-N 3.38Å |
| 13 | T | 95.2 | Very high | 89.8 | Confident | 55 Ų | 55 | 57.7 Ų | 57.7 | 34% | 0.337 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 126 | 168.5 | -61.3 | 0 | 0 | 0 | 0 | 109.7 | K24 F25 K26 | T13-K24 HydrophobicContact CG2-CG 4.19Å; T13-F25 CarbonylContact C-O 3.59Å; T13-F25 VanDerWaalsContact CA-O 3.26Å; T13-F25 WeakPolarHBondContact CA-O 3.49Å; T13-K26 HydrophobicContact CG2-CG 4.23Å |
| 14 | R | 94.2 | Very high | 90.2 | Very high | 34 Ų | 34 | 56.9 Ų | 56.9 | 13% | 0.128 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 153.3 | -179.9 | -71.2 | -168.4 | 173.9 | -171.6 | -8.6 | 112.5 | R4 P5 F6 E12 F16 F25 | R4-R14 PolarHBondContact O-NH1 3.4Å; P5-R14 PolarHBondContact O-NH2 2.82Å; F6-R14 VanDerWaalsContact CD1-CZ 3.48Å; F6-R14 VanDerWaalsContact CE1-NH1 3.27Å; E12-R14 HydrophobicContact CG-CG 4.19Å; E12-R14 IonicContact OE1-CZ 3.74Å; E12-R14 IonicContact OE1-NE 3.92Å; E12-R14 PolarHBondContact OE1-NE 3.18Å; E12-R14 IonicContact OE1-NH2 2.72Å; E12-R14 PolarHBondContact OE1-NH2 3.39Å; E12-R14 IonicContact OE2-CZ 3.9Å; E12-R14 IonicContact OE2-NE 2.74Å; E12-R14 PolarHBondContact OE2-NE 2.9Å; E12-R14 IonicContact OE2-NH2 3.93Å; E12-R14 PolarHBondContact OE2-NH2 3.26Å; R14-F16 HydrophobicContact CB-CE1 4.47Å; R14-F16 HydrophobicContact CB-CE2 3.85Å; R14-F16 HydrophobicContact CB-CZ 3.8Å; R14-F16 HydrophobicContact CG-CZ 4.48Å; R14-F25 PolarHBondContact N-O 3.31Å; R14-F25 PolarHBondContact O-N 2.67Å |
| 15 | F | 92.4 | Very high | 90.6 | Very high | 59 Ų | 59 | 50.4 Ų | 50.4 | 26% | 0.259 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 127.1 | 170.8 | -60.7 | -85 | 0 | 0 | 0 | 109.1 | I22 Y23 K24 W79 L223 | F15-I22 HydrophobicContact CB-CG2 4.1Å; F15-I22 HydrophobicContact CD1-CG2 3.98Å; F15-I22 HydrophobicContact CG-CG2 4.46Å; F15-Y23 CarbonylContact C-O 3.49Å; F15-Y23 WeakPolarHBondContact CA-O 3.45Å; F15-K24 HydrophobicContact CD1-CB 3.97Å; F15-K24 HydrophobicContact CD1-CG 4.28Å; F15-K24 HydrophobicContact CE1-CB 3.76Å; F15-K24 HydrophobicContact CE1-CD 3.87Å; F15-K24 HydrophobicContact CE1-CG 3.72Å; F15-K24 HydrophobicContact CZ-CD 4.24Å; F15-K24 HydrophobicContact CZ-CG 4.25Å; F15-W79 AromaticContact CD1-CH2 3.86Å; F15-W79 HydrophobicContact CD1-CH2 3.86Å; F15-W79 HydrophobicContact CD1-CZ2 4.35Å; F15-W79 AromaticContact CE1-CH2 3.5Å; F15-W79 HydrophobicContact CE1-CH2 3.5Å; F15-W79 VanDerWaalsContact CE1-CH2 3.5Å; F15-W79 AromaticContact CE1-CZ2 3.53Å; F15-W79 HydrophobicContact CE1-CZ2 3.53Å; F15-W79 HydrophobicContact CZ-CZ2 4.41Å; F15-L223 HydrophobicContact CB-CD1 4.32Å; F15-L223 HydrophobicContact CB-CD2 4.17Å; F15-L223 WeakPolarHBondContact O-CD2 3.43Å |
| 16 | F | 91.6 | Very high | 90.9 | Very high | 24 Ų | 24 | 48.7 Ų | 48.7 | 11% | 0.105 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 147.2 | 175.3 | -60.4 | -71.8 | 0 | 0 | 0 | 109.4 | L3 F6 R14 I22 Y23 F25 V52 | L3-F16 HydrophobicContact CD1-CD1 4.35Å; L3-F16 HydrophobicContact CD1-CE1 3.56Å; L3-F16 HydrophobicContact CD1-CZ 4.1Å; L3-F16 HydrophobicContact CD2-CD1 4.05Å; L3-F16 HydrophobicContact CD2-CE1 3.81Å; L3-F16 HydrophobicContact CG-CE1 4.27Å; F6-F16 HydrophobicContact CE1-CZ 4.21Å; F6-F16 HydrophobicContact CZ-CZ 4.39Å; R14-F16 HydrophobicContact CB-CE1 4.47Å; R14-F16 HydrophobicContact CB-CE2 3.85Å; R14-F16 HydrophobicContact CB-CZ 3.8Å; R14-F16 HydrophobicContact CG-CZ 4.48Å; F16-I22 CarbonylContact O-C 3.58Å; F16-I22 WeakPolarHBondContact O-CA 3.31Å; F16-Y23 PolarHBondContact N-O 3.14Å; F16-Y23 PolarHBondContact O-N 2.83Å; F16-F25 HydrophobicContact CD2-CB 4.07Å; F16-F25 AromaticContact CD2-CD2 3.43Å; F16-F25 HydrophobicContact CD2-CD2 3.43Å; F16-F25 VanDerWaalsContact CD2-CD2 3.43Å; F16-F25 AromaticContact CD2-CE2 3.96Å; F16-F25 HydrophobicContact CD2-CE2 3.96Å; F16-F25 AromaticContact CD2-CG 3.81Å; F16-F25 HydrophobicContact CD2-CG 3.81Å; F16-F25 HydrophobicContact CE2-CB 3.7Å; F16-F25 HydrophobicContact CE2-CD1 4.34Å; F16-F25 AromaticContact CE2-CD2 3.86Å; F16-F25 HydrophobicContact CE2-CD2 3.86Å; F16-F25 AromaticContact CE2-CG 3.71Å; F16-F25 HydrophobicContact CE2-CG 3.71Å; F16-V52 HydrophobicContact CD2-CG1 3.98Å; F16-V52 HydrophobicContact CE1-CG1 4.46Å; F16-V52 HydrophobicContact CE2-CG1 3.72Å; F16-V52 HydrophobicContact CE2-CG2 4.21Å; F16-V52 HydrophobicContact CG-CG1 4.43Å; F16-V52 HydrophobicContact CZ-CG1 3.98Å; F16-V52 HydrophobicContact CZ-CG2 4.28Å |
| 17 | T | 89.6 | Confident | 91.1 | Very high | 98 Ų | 98 | 48 Ų | 48 | 60% | 0.601 | 28% | 0.276 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 121.9 | 178 | 48.2 | 0 | 0 | 0 | 0 | 109.4 | L21 I22 | T17-L21 WeakPolarHBondContact CA-O 3.26Å; T17-I22 HydrophobicContact CG2-CG1 3.94Å |
| 18 | A | 87.1 | Confident | 91.4 | Very high | 35 Ų | 35 | 50.2 Ų | 50.2 | 29% | 0.289 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 139.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | S20 L21 Y23 | A18-S20 VanDerWaalsContact C-N 3.28Å; A18-S20 PolarHBondContact O-N 2.81Å; A18-S20 VanDerWaalsContact O-N 3.14Å; A18-L21 PolarHBondContact N-O 2.98Å; A18-L21 WeakPolarHBondContact O-CA 3.44Å; A18-L21 WeakPolarHBondContact O-CB 3.29Å; A18-L21 PolarHBondContact O-N 3.04Å; A18-Y23 HydrophobicContact CB-CD2 4.47Å; A18-Y23 HydrophobicContact CB-CE2 3.87Å |
| 19 | D | 83.6 | Confident | 91.6 | Very high | 147 Ų | 147 | 50.3 Ų | 50.3 | 79% | 0.786 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.5 | 41.2 | 175.1 | -53.3 | -29 | 0 | 0 | 0 | 115.3 | L21 | D19-L21 PolarHBondContact O-N 3.22Š|
| 20 | S | 85.8 | Confident | 91.4 | Very high | 76 Ų | 76 | 49.6 Ų | 49.6 | 53% | 0.531 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.5 | 13.2 | -175.8 | -43 | 0 | 0 | 0 | 0 | 115.3 | A18 L90 S91 | A18-S20 VanDerWaalsContact C-N 3.28Å; A18-S20 PolarHBondContact O-N 2.81Å; A18-S20 VanDerWaalsContact O-N 3.14Å; S20-L90 VanDerWaalsContact O-CA 3.26Å; S20-L90 WeakPolarHBondContact O-CA 3.29Å; S20-S91 PolarHBondContact O-N 3.37Å |
| 21 | L | 88.3 | Confident | 91.1 | Very high | 43 Ų | 43 | 54.6 Ų | 54.6 | 23% | 0.225 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 141.5 | 174.1 | -77 | 162.9 | 0 | 0 | 0 | 111 | T17 A18 D19 Y23 S91 | T17-L21 WeakPolarHBondContact CA-O 3.26Å; A18-L21 PolarHBondContact N-O 2.98Å; A18-L21 WeakPolarHBondContact O-CA 3.44Å; A18-L21 WeakPolarHBondContact O-CB 3.29Å; A18-L21 PolarHBondContact O-N 3.04Å; D19-L21 PolarHBondContact O-N 3.22Å; L21-Y23 HydrophobicContact CB-CD2 4.37Å; L21-Y23 HydrophobicContact CB-CE2 3.6Å; L21-Y23 WeakPolarHBondContact CD1-OH 3.48Å; L21-S91 CarbonylContact C-O 3.49Å; L21-S91 VanDerWaalsContact CA-O 3.29Å; L21-S91 WeakPolarHBondContact CA-O 3.45Å; L21-S91 WeakPolarHBondContact CD2-OG 3.32Å |
| 22 | I | 91.5 | Very high | 90.4 | Very high | 10 Ų | 10 | 52.6 Ų | 52.6 | 5% | 0.051 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 119.8 | 169.4 | -60.8 | 163.2 | 0 | 0 | 0 | 108.3 | F15 F16 T17 L90 S91 F92 Y93 | F15-I22 HydrophobicContact CB-CG2 4.1Å; F15-I22 HydrophobicContact CD1-CG2 3.98Å; F15-I22 HydrophobicContact CG-CG2 4.46Å; F16-I22 CarbonylContact O-C 3.58Å; F16-I22 WeakPolarHBondContact O-CA 3.31Å; T17-I22 HydrophobicContact CG2-CG1 3.94Å; I22-L90 HydrophobicContact CD1-CB 3.94Å; I22-L90 HydrophobicContact CD1-CD1 4.22Å; I22-L90 HydrophobicContact CG1-CB 4.23Å; I22-L90 HydrophobicContact CG1-CD1 4.39Å; I22-S91 PolarHBondContact N-O 3.44Å; I22-F92 HydrophobicContact CB-CD1 3.62Å; I22-F92 HydrophobicContact CB-CE1 3.84Å; I22-F92 HydrophobicContact CB-CG 4.44Å; I22-F92 HydrophobicContact CD1-CD1 4.12Å; I22-F92 HydrophobicContact CD1-CE1 3.65Å; I22-F92 HydrophobicContact CD1-CE2 4.36Å; I22-F92 HydrophobicContact CD1-CZ 3.79Å; I22-F92 HydrophobicContact CG1-CD1 4.46Å; I22-F92 HydrophobicContact CG1-CE1 4.36Å; I22-F92 HydrophobicContact CG2-CD1 3.75Å; I22-F92 HydrophobicContact CG2-CE1 3.68Å; I22-Y93 PolarHBondContact O-N 3.15Å |
| 23 | Y | 93.4 | Very high | 89.6 | Confident | 15 Ų | 15 | 52.4 Ų | 52.4 | 6% | 0.059 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 133.2 | 177.5 | -58.8 | -92.6 | 0 | 0 | 0 | 109.8 | F15 F16 A18 L21 L56 L59 Y93 I97 | F15-Y23 CarbonylContact C-O 3.49Å; F15-Y23 WeakPolarHBondContact CA-O 3.45Å; F16-Y23 PolarHBondContact N-O 3.14Å; F16-Y23 PolarHBondContact O-N 2.83Å; A18-Y23 HydrophobicContact CB-CD2 4.47Å; A18-Y23 HydrophobicContact CB-CE2 3.87Å; L21-Y23 HydrophobicContact CB-CD2 4.37Å; L21-Y23 HydrophobicContact CB-CE2 3.6Å; L21-Y23 WeakPolarHBondContact CD1-OH 3.48Å; Y23-L56 HydrophobicContact CD1-CD2 3.71Å; Y23-L56 HydrophobicContact CD2-CD2 3.98Å; Y23-L56 HydrophobicContact CE1-CD2 4.01Å; Y23-L56 HydrophobicContact CE2-CD2 4.26Å; Y23-L56 HydrophobicContact CG-CD2 3.69Å; Y23-L59 HydrophobicContact CD1-CD1 4.36Å; Y23-L59 HydrophobicContact CE1-CD1 3.6Å; Y23-Y93 AromaticContact CD1-CD1 3.87Å; Y23-Y93 HydrophobicContact CD1-CD1 3.87Å; Y23-Y93 HydrophobicContact CD1-CD2 4.26Å; Y23-Y93 AromaticContact CD1-CG 3.66Å; Y23-Y93 HydrophobicContact CD1-CG 3.66Å; Y23-Y93 HydrophobicContact CE1-CD1 4.2Å; Y23-Y93 AromaticContact CE1-CD2 3.81Å; Y23-Y93 HydrophobicContact CE1-CD2 3.81Å; Y23-Y93 HydrophobicContact CE1-CE2 4.43Å; Y23-Y93 AromaticContact CE1-CG 3.7Å; Y23-Y93 HydrophobicContact CE1-CG 3.7Å; Y23-I97 HydrophobicContact CD1-CD1 4.4Å |
| 24 | K | 94.9 | Very high | 88.4 | Confident | 39 Ų | 39 | 52 Ų | 52 | 17% | 0.17 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 120.3 | 172.6 | 179.5 | 176.2 | -179.2 | 176.9 | 0 | 109.8 | T13 F15 W79 A96 I97 | T13-K24 HydrophobicContact CG2-CG 4.19Å; F15-K24 HydrophobicContact CD1-CB 3.97Å; F15-K24 HydrophobicContact CD1-CG 4.28Å; F15-K24 HydrophobicContact CE1-CB 3.76Å; F15-K24 HydrophobicContact CE1-CD 3.87Å; F15-K24 HydrophobicContact CE1-CG 3.72Å; F15-K24 HydrophobicContact CZ-CD 4.24Å; F15-K24 HydrophobicContact CZ-CG 4.25Å; K24-W79 HydrophobicContact CB-CD2 4.04Å; K24-W79 HydrophobicContact CB-CE3 3.69Å; K24-W79 HydrophobicContact CB-CH2 3.66Å; K24-W79 HydrophobicContact CB-CZ2 4.05Å; K24-W79 HydrophobicContact CB-CZ3 3.48Å; K24-W79 VanDerWaalsContact CB-CZ3 3.48Å; K24-W79 HydrophobicContact CD-CD2 3.79Å; K24-W79 VanDerWaalsContact CD-CE2 3.44Å; K24-W79 HydrophobicContact CD-CE3 4.31Å; K24-W79 HydrophobicContact CD-CG 4.22Å; K24-W79 HydrophobicContact CD-CH2 4.24Å; K24-W79 HydrophobicContact CD-CZ2 3.74Å; K24-W79 HydrophobicContact CG-CZ2 4.48Å; K24-A96 HydrophobicContact CB-CB 4.43Å; K24-A96 HydrophobicContact CD-CB 4.12Å; K24-A96 HydrophobicContact CG-CB 4.3Å; K24-I97 PolarHBondContact O-N 2.75Å |
| 25 | F | 96.1 | Very high | 87 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 136.6 | 174.4 | -83.7 | -111.4 | 0 | 0 | 0 | 110.1 | T13 R14 F16 V52 V55 L56 I97 L99 | T13-F25 CarbonylContact C-O 3.59Å; T13-F25 VanDerWaalsContact CA-O 3.26Å; T13-F25 WeakPolarHBondContact CA-O 3.49Å; R14-F25 PolarHBondContact N-O 3.31Å; R14-F25 PolarHBondContact O-N 2.67Å; F16-F25 HydrophobicContact CD2-CB 4.07Å; F16-F25 AromaticContact CD2-CD2 3.43Å; F16-F25 HydrophobicContact CD2-CD2 3.43Å; F16-F25 VanDerWaalsContact CD2-CD2 3.43Å; F16-F25 AromaticContact CD2-CE2 3.96Å; F16-F25 HydrophobicContact CD2-CE2 3.96Å; F16-F25 AromaticContact CD2-CG 3.81Å; F16-F25 HydrophobicContact CD2-CG 3.81Å; F16-F25 HydrophobicContact CE2-CB 3.7Å; F16-F25 HydrophobicContact CE2-CD1 4.34Å; F16-F25 AromaticContact CE2-CD2 3.86Å; F16-F25 HydrophobicContact CE2-CD2 3.86Å; F16-F25 AromaticContact CE2-CG 3.71Å; F16-F25 HydrophobicContact CE2-CG 3.71Å; F25-V52 HydrophobicContact CD1-CG1 4.45Å; F25-V52 HydrophobicContact CD1-CG2 4.19Å; F25-V52 HydrophobicContact CE1-CB 4.47Å; F25-V52 HydrophobicContact CE1-CG1 4.09Å; F25-V52 HydrophobicContact CE1-CG2 4.29Å; F25-V52 HydrophobicContact CZ-CG1 4.17Å; F25-V55 HydrophobicContact CE1-CB 4.28Å; F25-V55 HydrophobicContact CE1-CG1 3.94Å; F25-V55 HydrophobicContact CZ-CG1 4.08Å; F25-L56 HydrophobicContact CE2-CD2 3.73Å; F25-L56 HydrophobicContact CE2-CG 4.12Å; F25-L56 HydrophobicContact CZ-CD2 3.83Å; F25-L56 HydrophobicContact CZ-CG 3.83Å; F25-I97 CarbonylContact C-O 3.5Å; F25-I97 VanDerWaalsContact CA-O 3.29Å; F25-I97 WeakPolarHBondContact CA-O 3.44Å; F25-I97 HydrophobicContact CD1-CB 4.17Å; F25-I97 HydrophobicContact CD1-CG2 3.87Å; F25-I97 HydrophobicContact CD2-CB 4.28Å; F25-I97 HydrophobicContact CD2-CD1 4.17Å; F25-I97 HydrophobicContact CE1-CB 4.1Å; F25-I97 HydrophobicContact CE1-CD1 4.24Å; F25-I97 HydrophobicContact CE1-CG2 3.59Å; F25-I97 HydrophobicContact CE2-CB 4.25Å; F25-I97 HydrophobicContact CE2-CD1 3.42Å; F25-I97 VanDerWaalsContact CE2-CD1 3.42Å; F25-I97 HydrophobicContact CE2-CG1 4.42Å; F25-I97 HydrophobicContact CG-CB 4.27Å; F25-I97 HydrophobicContact CG-CG2 4.47Å; F25-I97 HydrophobicContact CZ-CB 4.15Å; F25-I97 HydrophobicContact CZ-CD1 3.46Å; F25-I97 VanDerWaalsContact CZ-CD1 3.46Å; F25-I97 HydrophobicContact CZ-CG1 4.4Å; F25-I97 HydrophobicContact CZ-CG2 3.98Å; F25-L99 HydrophobicContact CD1-CD1 3.74Å; F25-L99 HydrophobicContact CD1-CG 4.06Å; F25-L99 HydrophobicContact CE1-CD1 4.01Å; F25-L99 HydrophobicContact CE1-CG 4.38Å |
| 26 | K | 96.2 | Very high | 85.6 | Confident | 55 Ų | 55 | 60.8 Ų | 60.8 | 24% | 0.239 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 115.8 | 168.4 | -63.8 | -172.9 | 176 | -176.3 | 0 | 107.9 | E12 T13 I97 I98 L99 | E12-K26 CarbonylContact O-C 3.55Å; E12-K26 WeakPolarHBondContact O-CA 3.26Å; T13-K26 HydrophobicContact CG2-CG 4.23Å; K26-I97 PolarHBondContact N-O 3.35Å; K26-I98 HydrophobicContact CB-CG1 4.34Å; K26-I98 HydrophobicContact CB-CG2 4.25Å; K26-I98 HydrophobicContact CD-CG1 4.4Å; K26-I98 CarbonylContact O-C 3.54Å; K26-I98 WeakPolarHBondContact O-CA 3.28Å; K26-L99 PolarHBondContact O-N 3.13Å |
| 27 | I | 95.6 | Very high | 84.4 | Confident | 2 Ų | 2 | 63.2 Ų | 63.2 | 1% | 0.01 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 128.7 | -178.9 | -60.5 | 164.6 | 0 | 0 | 0 | 107.6 | F6 F8 P11 E12 I48 L99 L101 | F6-I27 HydrophobicContact CD1-CD1 3.46Å; F6-I27 VanDerWaalsContact CD1-CD1 3.46Å; F6-I27 HydrophobicContact CE1-CD1 3.36Å; F6-I27 HydrophobicContact CZ-CD1 4.49Å; F8-I27 HydrophobicContact CD2-CG2 4.35Å; P11-I27 WeakPolarHBondContact CA-O 3.33Å; E12-I27 PolarHBondContact N-O 2.96Å; E12-I27 PolarHBondContact O-N 3.38Å; I27-I48 HydrophobicContact CD1-CG2 4.04Å; I27-L99 HydrophobicContact CG1-CD1 4.25Å; I27-L101 HydrophobicContact CG2-CD1 3.83Å |
| 28 | R | 94.1 | Very high | 83.2 | Confident | 104 Ų | 104 | 59.5 Ų | 59.5 | 39% | 0.392 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 128.4 | -179.5 | -61.7 | -167.9 | 173.4 | -168.7 | -2.6 | 109.7 | P11 L99 Y100 L101 | P11-R28 HydrophobicContact CB-CG 4.48Å; R28-L99 PolarHBondContact N-O 2.82Å; R28-Y100 HydrophobicContact CB-CD1 4.05Å; R28-Y100 HydrophobicContact CB-CE1 4.3Å; R28-Y100 WeakPolarHBondContact O-CA 3.28Å; R28-L101 PolarHBondContact O-N 3.46Å |
| 29 | G | 90.9 | Very high | 81.9 | Confident | 23 Ų | 23 | 64.7 Ų | 64.7 | 24% | 0.237 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 143 | 165.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | L101 | G29-L101 CarbonylContact C-O 3.56Å |
| 30 | G | 85.3 | Confident | 80.8 | Confident | 19 Ų | 19 | 66 Ų | 66 | 20% | 0.196 | 35% | 0.349 | C | S | . | . | trans | -70 | 170.8 | 167.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | S32 F33 L101 | G30-S32 PolarHBondContact O-N 3.04Å; G30-F33 WeakPolarHBondContact O-CD2 3.21Å; G30-F33 PolarHBondContact O-N 2.74Å; G30-L101 PolarHBondContact N-O 3.4Å | ||
| 31 | N | 81 | Confident | 79.9 | Confident | 175 Ų | 175 | 66.4 Ų | 66.4 | 94% | 0.936 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -8.7 | -178.1 | -70.2 | 35.1 | 0 | 0 | 0 | 113.7 | F33 | N31-F33 PolarHBondContact O-N 3.23Š|
| 32 | S | 77.3 | Confident | 79 | Confident | 58 Ų | 58 | 66.3 Ų | 66.3 | 41% | 0.406 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -6.1 | 179.1 | 60 | 0 | 0 | 0 | 0 | 114.2 | G30 K103 | G30-S32 PolarHBondContact O-N 3.04Å; S32-K103 WeakPolarHBondContact OG-CB 3.36Å; S32-K103 PolarHBondContact OG-N 3.24Å |
| 33 | F | 77.3 | Confident | 78.4 | Confident | 29 Ų | 29 | 70.2 Ų | 70.2 | 13% | 0.127 | 38% | 0.38 | C | S | . | . | trans | -96.4 | 110.9 | 178.3 | -65.8 | -81.9 | 0 | 0 | 0 | 109.6 | F8 P9 G30 N31 V38 F70 L101 K103 | F8-F33 AromaticContact CE1-CD1 3.76Å; F8-F33 HydrophobicContact CE1-CD1 3.76Å; F8-F33 AromaticContact CE1-CE1 3.86Å; F8-F33 HydrophobicContact CE1-CE1 3.86Å; F8-F33 HydrophobicContact CE1-CG 4.13Å; F8-F33 HydrophobicContact CE1-CZ 4.32Å; F8-F33 AromaticContact CZ-CD1 3.82Å; F8-F33 HydrophobicContact CZ-CD1 3.82Å; F8-F33 AromaticContact CZ-CD2 3.81Å; F8-F33 HydrophobicContact CZ-CD2 3.81Å; F8-F33 AromaticContact CZ-CE1 3.81Å; F8-F33 HydrophobicContact CZ-CE1 3.81Å; F8-F33 AromaticContact CZ-CE2 3.81Å; F8-F33 HydrophobicContact CZ-CE2 3.81Å; F8-F33 AromaticContact CZ-CG 3.83Å; F8-F33 HydrophobicContact CZ-CG 3.83Å; F8-F33 AromaticContact CZ-CZ 3.82Å; F8-F33 HydrophobicContact CZ-CZ 3.82Å; P9-F33 HydrophobicContact CB-CB 3.98Å; G30-F33 WeakPolarHBondContact O-CD2 3.21Å; G30-F33 PolarHBondContact O-N 2.74Å; N31-F33 PolarHBondContact O-N 3.23Å; F33-V38 HydrophobicContact CD1-CG2 4.48Å; F33-F70 HydrophobicContact CE1-CD1 4.12Å; F33-F70 AromaticContact CE1-CE1 3.59Å; F33-F70 HydrophobicContact CE1-CE1 3.59Å; F33-F70 HydrophobicContact CE2-CD1 4.49Å; F33-F70 HydrophobicContact CE2-CE1 4.48Å; F33-F70 AromaticContact CZ-CD1 3.56Å; F33-F70 HydrophobicContact CZ-CD1 3.56Å; F33-F70 AromaticContact CZ-CE1 3.47Å; F33-F70 HydrophobicContact CZ-CE1 3.47Å; F33-F70 VanDerWaalsContact CZ-CE1 3.47Å; F33-L101 VanDerWaalsContact CE2-O 3.29Å; F33-L101 WeakPolarHBondContact CE2-O 2.95Å; F33-K103 HydrophobicContact CE1-CB 3.92Å; F33-K103 HydrophobicContact CE1-CG 4.25Å; F33-K103 HydrophobicContact CE2-CB 4.18Å; F33-K103 VanDerWaalsContact CZ-CA 3.46Å; F33-K103 HydrophobicContact CZ-CB 3.68Å; F33-K103 HydrophobicContact CZ-CG 4.44Å; F33-K103 VanDerWaalsContact CZ-N 3.31Å | ||
| 34 | S | 69.6 | Low | 78.1 | Confident | 47 Ų | 47 | 70.2 Ų | 70.2 | 33% | 0.329 | 38% | 0.381 | S | S | . | . | trans | -84.9 | 146.7 | 160.6 | 63.6 | 0 | 0 | 0 | 0 | 109.3 | D36 E37 | S34-D36 PolarHBondContact O-N 3.08Å; S34-E37 PolarHBondContact O-N 2.99Å; S34-E37 WeakPolarHBondContact OG-CB 3.2Å; S34-E37 WeakPolarHBondContact OG-CG 3.43Å; S34-E37 PolarHBondContact OG-N 3Å | ||
| 35 | E | 66.1 | Low | 77.9 | Confident | 150 Ų | 150 | 70.2 Ų | 70.2 | 70% | 0.701 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -60.3 | -31.5 | 178.3 | -166.4 | 168 | -174.6 | 0 | 0 | 111.6 | ||
| 36 | D | 62.6 | Low | 77.7 | Confident | 127 Ų | 127 | 76.9 Ų | 76.9 | 68% | 0.679 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -70.3 | -35.6 | -179.3 | -60.7 | -39 | 0 | 0 | 0 | 113.6 | S34 L39 | S34-D36 PolarHBondContact O-N 3.08Å; D36-L39 PolarHBondContact O-N 2.88Å |
| 37 | E | 65.4 | Low | 77.6 | Confident | 76 Ų | 76 | 75.2 Ų | 75.2 | 36% | 0.355 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -70.8 | -33.3 | 179.1 | -76.9 | 176.4 | 179.5 | 0 | 0 | 112.2 | S34 L39 Q40 E41 K103 | S34-E37 PolarHBondContact O-N 2.99Å; S34-E37 WeakPolarHBondContact OG-CB 3.2Å; S34-E37 WeakPolarHBondContact OG-CG 3.43Å; S34-E37 PolarHBondContact OG-N 3Å; E37-L39 VanDerWaalsContact C-N 3.29Å; E37-L39 PolarHBondContact O-N 3.41Å; E37-Q40 PolarHBondContact O-N 3.4Å; E37-E41 PolarHBondContact O-N 2.96Å; E37-K103 VanDerWaalsContact CD-NZ 3.29Å; E37-K103 IonicContact OE1-NZ 3.69Å; E37-K103 IonicContact OE2-NZ 2.63Å; E37-K103 PolarHBondContact OE2-NZ 3.28Å |
| 38 | V | 64.7 | Low | 77.5 | Confident | 20 Ų | 20 | 75.2 Ų | 75.2 | 12% | 0.121 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -66 | -33.8 | 179 | 176 | 0 | 0 | 0 | 0 | 111.4 | P9 F33 Q40 F44 | P9-V38 HydrophobicContact CB-CG2 4.41Å; P9-V38 HydrophobicContact CG-CG2 4.07Å; F33-V38 HydrophobicContact CD1-CG2 4.48Å; V38-Q40 VanDerWaalsContact C-N 3.29Å; V38-Q40 PolarHBondContact O-N 2.87Å; V38-F44 HydrophobicContact CB-CE2 4.1Å; V38-F44 HydrophobicContact CG1-CD2 3.95Å; V38-F44 HydrophobicContact CG1-CE2 3.75Å; V38-F44 HydrophobicContact CG2-CE2 4Å |
| 39 | L | 60.5 | Low | 77.5 | Confident | 144 Ų | 144 | 71.3 Ų | 71.3 | 75% | 0.754 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -70.3 | -26.3 | 177.3 | -67.6 | 171.4 | 0 | 0 | 0 | 112.8 | D36 E37 | D36-L39 PolarHBondContact O-N 2.88Å; E37-L39 VanDerWaalsContact C-N 3.29Å; E37-L39 PolarHBondContact O-N 3.41Å |
| 40 | Q | 61.5 | Low | 77.7 | Confident | 174 Ų | 174 | 75.3 Ų | 75.3 | 81% | 0.813 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -83.6 | -29.7 | -175.2 | -162.6 | 172.5 | 27.7 | 0 | 0 | 113.1 | E37 V38 | E37-Q40 PolarHBondContact O-N 3.4Å; V38-Q40 VanDerWaalsContact C-N 3.29Å; V38-Q40 PolarHBondContact O-N 2.87Å |
| 41 | E | 65.5 | Low | 78.2 | Confident | 85 Ų | 85 | 74.4 Ų | 74.4 | 40% | 0.397 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -97.5 | -5.4 | -172 | -136.7 | 164.6 | -161.5 | 0 | 0 | 114.3 | E37 F44 H69 R111 | E37-E41 PolarHBondContact O-N 2.96Å; E41-F44 HydrophobicContact CB-CE1 4.4Å; E41-F44 HydrophobicContact CB-CZ 3.99Å; E41-H69 IonicContact OE1-CD2 3.85Å; E41-H69 IonicContact OE2-CD2 3.91Å; E41-R111 IonicContact OE1-NH1 3.05Å |
| 42 | G | 69.6 | Low | 78.9 | Confident | 40 Ų | 40 | 66.2 Ų | 66.2 | 41% | 0.412 | 35% | 0.352 | S | S | . | . | trans | 95.5 | -176.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 43 | S | 78.2 | Confident | 79.7 | Confident | 93 Ų | 93 | 70 Ų | 70 | 65% | 0.65 | 36% | 0.358 | S | S | * | . | trans | -82 | 129 | -178.6 | 84.1 | 0 | 0 | 0 | 0 | 111.7 | D45 | S43-D45 VanDerWaalsContact CB-OD2 3.27Å; S43-D45 WeakPolarHBondContact CB-OD2 3.37Å; S43-D45 PolarHBondContact O-N 2.77Å; S43-D45 PolarHBondContact OG-OD2 3.26Å; S43-D45 VanDerWaalsContact OG-OD2 3.05Å | ||
| 44 | F | 88.6 | Confident | 80.6 | Confident | 15 Ų | 15 | 70.6 Ų | 70.6 | 7% | 0.066 | 37% | 0.367 | C | S | . | . | trans | -81.9 | 7.5 | 178.1 | -60.5 | -64.6 | 0 | 0 | 0 | 113.6 | F8 V38 E41 Q46 E47 I48 H69 F70 | F8-F44 HydrophobicContact CD1-CD2 4.04Å; F8-F44 HydrophobicContact CE1-CD2 4.24Å; V38-F44 HydrophobicContact CB-CE2 4.1Å; V38-F44 HydrophobicContact CG1-CD2 3.95Å; V38-F44 HydrophobicContact CG1-CE2 3.75Å; V38-F44 HydrophobicContact CG2-CE2 4Å; E41-F44 HydrophobicContact CB-CE1 4.4Å; E41-F44 HydrophobicContact CB-CZ 3.99Å; F44-Q46 VanDerWaalsContact C-N 3.3Å; F44-Q46 PolarHBondContact O-N 3.3Å; F44-E47 PolarHBondContact O-N 3.03Å; F44-I48 HydrophobicContact CB-CD1 4.03Å; F44-I48 HydrophobicContact CB-CG1 4.34Å; F44-I48 VanDerWaalsContact O-CG1 3.31Å; F44-I48 WeakPolarHBondContact O-CG1 3.31Å; F44-I48 PolarHBondContact O-N 2.85Å; F44-H69 HydrophobicContact CD1-CB 4.2Å; F44-H69 HydrophobicContact CE1-CB 3.85Å; F44-H69 AromaticContact CE1-CG 3.7Å; F44-H69 AromaticContact CE1-ND1 3.99Å; F44-F70 HydrophobicContact CB-CE2 3.86Å; F44-F70 HydrophobicContact CB-CZ 3.66Å; F44-F70 AromaticContact CD1-CE2 3.91Å; F44-F70 HydrophobicContact CD1-CE2 3.91Å; F44-F70 AromaticContact CD1-CZ 3.74Å; F44-F70 HydrophobicContact CD1-CZ 3.74Å; F44-F70 HydrophobicContact CD2-CZ 4.01Å; F44-F70 HydrophobicContact CE1-CZ 4.4Å; F44-F70 AromaticContact CG-CE2 3.99Å; F44-F70 HydrophobicContact CG-CE2 3.99Å; F44-F70 AromaticContact CG-CZ 3.53Å; F44-F70 HydrophobicContact CG-CZ 3.53Å | ||
| 45 | D | 90.2 | Very high | 81.8 | Confident | 38 Ų | 38 | 68.5 Ų | 68.5 | 20% | 0.203 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -58.1 | -42.8 | -169.8 | -64.8 | -51.5 | 0 | 0 | 0 | 112.9 | P5 F6 S43 I48 E49 | P5-D45 WeakPolarHBondContact CA-OD1 3.4Å; F6-D45 HydrophobicContact CD2-CB 4.4Å; F6-D45 PolarHBondContact N-OD1 3.49Å; S43-D45 VanDerWaalsContact CB-OD2 3.27Å; S43-D45 WeakPolarHBondContact CB-OD2 3.37Å; S43-D45 PolarHBondContact O-N 2.77Å; S43-D45 PolarHBondContact OG-OD2 3.26Å; S43-D45 VanDerWaalsContact OG-OD2 3.05Å; D45-I48 PolarHBondContact O-N 2.82Å; D45-E49 WeakPolarHBondContact O-CB 3.33Å; D45-E49 PolarHBondContact O-N 3Å |
| 46 | Q | 91.5 | Very high | 83.2 | Confident | 140 Ų | 140 | 63.4 Ų | 63.4 | 65% | 0.654 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -65.3 | -45.7 | -179.5 | -179.5 | 173.8 | -10.3 | 0 | 0 | 111.3 | F44 E49 E50 | F44-Q46 VanDerWaalsContact C-N 3.3Å; F44-Q46 PolarHBondContact O-N 3.3Å; Q46-E49 WeakPolarHBondContact O-CB 3.44Å; Q46-E49 PolarHBondContact O-N 3.47Å; Q46-E50 PolarHBondContact NE2-OE1 2.87Å; Q46-E50 WeakPolarHBondContact O-CG 3.43Å; Q46-E50 PolarHBondContact O-N 2.82Å |
| 47 | E | 93.7 | Very high | 84.6 | Confident | 21 Ų | 21 | 60.4 Ų | 60.4 | 10% | 0.098 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -65.9 | -41 | 179.8 | -170.5 | 174.5 | -166.9 | 0 | 0 | 111.1 | F44 E49 E50 I51 T67 E68 H69 F70 | F44-E47 PolarHBondContact O-N 3.03Å; E47-E49 VanDerWaalsContact C-N 3.32Å; E47-E49 PolarHBondContact O-N 3.08Å; E47-E50 PolarHBondContact O-N 2.82Å; E47-I51 HydrophobicContact CG-CD1 4.31Å; E47-I51 WeakPolarHBondContact O-CG1 3.26Å; E47-I51 PolarHBondContact O-N 3.07Å; E47-T67 WeakPolarHBondContact OE1-CB 3.48Å; E47-T67 PolarHBondContact OE1-OG1 2.84Å; E47-E68 WeakPolarHBondContact OE1-CA 3.35Å; E47-E68 PolarHBondContact OE1-N 2.85Å; E47-H69 PolarHBondContact OE1-N 2.79Å; E47-H69 IonicContact OE1-ND1 3.44Å; E47-H69 WeakPolarHBondContact OE2-CB 3.22Å; E47-H69 IonicContact OE2-CE1 3.37Å; E47-H69 IonicContact OE2-CG 3.3Å; E47-H69 IonicContact OE2-ND1 3.51Å; E47-H69 PolarHBondContact OE2-ND1 3.04Å; E47-F70 HydrophobicContact CB-CE2 4.36Å; E47-F70 VanDerWaalsContact CD-CD2 3.47Å; E47-F70 HydrophobicContact CG-CD2 3.94Å; E47-F70 HydrophobicContact CG-CE2 4.12Å; E47-F70 VanDerWaalsContact OE2-CE2 3.28Å; E47-F70 WeakPolarHBondContact OE2-CE2 3.44Å |
| 48 | I | 93.9 | Very high | 86 | Confident | 1 Ų | 1 | 61.6 Ų | 61.6 | 1% | 0.005 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -64.6 | -38 | 174.9 | -63.2 | 170 | 0 | 0 | 0 | 110.8 | F6 F8 I27 F44 D45 I51 V52 F70 L101 | F6-I48 HydrophobicContact CB-CD1 4.27Å; F6-I48 HydrophobicContact CD1-CG2 3.8Å; F6-I48 HydrophobicContact CD2-CB 3.91Å; F6-I48 HydrophobicContact CD2-CG2 3.74Å; F6-I48 HydrophobicContact CE1-CG2 3.71Å; F6-I48 HydrophobicContact CE2-CB 3.95Å; F6-I48 HydrophobicContact CE2-CG2 3.66Å; F6-I48 HydrophobicContact CG-CB 4.34Å; F6-I48 HydrophobicContact CG-CD1 4.46Å; F6-I48 HydrophobicContact CG-CG2 3.8Å; F6-I48 HydrophobicContact CZ-CB 4.4Å; F6-I48 HydrophobicContact CZ-CG2 3.64Å; F8-I48 HydrophobicContact CB-CD1 3.61Å; F8-I48 HydrophobicContact CD1-CD1 4.27Å; F8-I48 HydrophobicContact CD2-CD1 4.19Å; F8-I48 HydrophobicContact CG-CD1 3.75Å; I27-I48 HydrophobicContact CD1-CG2 4.04Å; F44-I48 HydrophobicContact CB-CD1 4.03Å; F44-I48 HydrophobicContact CB-CG1 4.34Å; F44-I48 VanDerWaalsContact O-CG1 3.31Å; F44-I48 WeakPolarHBondContact O-CG1 3.31Å; F44-I48 PolarHBondContact O-N 2.85Å; D45-I48 PolarHBondContact O-N 2.82Å; I48-I51 WeakPolarHBondContact O-CB 3.15Å; I48-I51 PolarHBondContact O-N 2.78Å; I48-V52 WeakPolarHBondContact O-CG2 3.22Å; I48-V52 PolarHBondContact O-N 2.83Å; I48-F70 HydrophobicContact CG1-CE2 4.28Å; I48-L101 HydrophobicContact CD1-CD1 4.45Å; I48-L101 HydrophobicContact CG1-CD1 4.23Å |
| 49 | E | 94.1 | Very high | 87.4 | Confident | 22 Ų | 22 | 61.7 Ų | 61.7 | 10% | 0.103 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62.6 | -42.9 | 173.7 | 172.9 | 166.6 | 171.9 | 0 | 0 | 112.1 | L3 F6 D45 Q46 E47 V52 R53 | L3-E49 HydrophobicContact CB-CG 4.49Å; L3-E49 HydrophobicContact CD1-CB 4.04Å; L3-E49 HydrophobicContact CD1-CG 3.71Å; L3-E49 HydrophobicContact CG-CG 3.95Å; L3-E49 PolarHBondContact N-OE2 2.83Å; F6-E49 HydrophobicContact CE2-CB 4.25Å; D45-E49 WeakPolarHBondContact O-CB 3.33Å; D45-E49 PolarHBondContact O-N 3Å; Q46-E49 WeakPolarHBondContact O-CB 3.44Å; Q46-E49 PolarHBondContact O-N 3.47Å; E47-E49 VanDerWaalsContact C-N 3.32Å; E47-E49 PolarHBondContact O-N 3.08Å; E49-V52 PolarHBondContact O-N 2.81Å; E49-R53 VanDerWaalsContact O-CG 3.31Å; E49-R53 WeakPolarHBondContact O-CG 3.42Å; E49-R53 PolarHBondContact O-N 3.33Å; E49-R53 IonicContact OE1-CZ 3.37Å; E49-R53 IonicContact OE1-NE 3.37Å; E49-R53 PolarHBondContact OE1-NE 3.41Å; E49-R53 IonicContact OE1-NH2 2.61Å; E49-R53 PolarHBondContact OE1-NH2 3.36Å |
| 50 | E | 94.8 | Very high | 88.9 | Confident | 107 Ų | 107 | 62.3 Ų | 62.3 | 50% | 0.5 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63.2 | -41.7 | 175 | -72 | 173.7 | -165 | 0 | 0 | 111.7 | Q46 E47 V52 R53 A54 | Q46-E50 PolarHBondContact NE2-OE1 2.87Å; Q46-E50 WeakPolarHBondContact O-CG 3.43Å; Q46-E50 PolarHBondContact O-N 2.82Å; E47-E50 PolarHBondContact O-N 2.82Å; E50-V52 PolarHBondContact O-N 3.48Å; E50-R53 PolarHBondContact O-N 2.94Å; E50-A54 WeakPolarHBondContact O-CB 3.41Å; E50-A54 PolarHBondContact O-N 2.89Å |
| 51 | I | 95.9 | Very high | 90.4 | Very high | 1 Ų | 1 | 61.7 Ų | 61.7 | 1% | 0.005 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -58.1 | -48.4 | 173.4 | -71.1 | 164.7 | 0 | 0 | 0 | 110.9 | E47 I48 R53 A54 V55 F65 T67 F70 V72 L99 L101 | E47-I51 HydrophobicContact CG-CD1 4.31Å; E47-I51 WeakPolarHBondContact O-CG1 3.26Å; E47-I51 PolarHBondContact O-N 3.07Å; I48-I51 WeakPolarHBondContact O-CB 3.15Å; I48-I51 PolarHBondContact O-N 2.78Å; I51-R53 VanDerWaalsContact C-N 3.31Å; I51-R53 PolarHBondContact O-N 2.79Å; I51-A54 PolarHBondContact O-N 3.24Å; I51-V55 WeakPolarHBondContact O-CG2 3.5Å; I51-V55 PolarHBondContact O-N 2.94Å; I51-F65 HydrophobicContact CG1-CE2 4.21Å; I51-F65 HydrophobicContact CG1-CZ 4.4Å; I51-F65 HydrophobicContact CG2-CZ 4.05Å; I51-T67 HydrophobicContact CD1-CG2 3.95Å; I51-T67 HydrophobicContact CG1-CG2 3.71Å; I51-F70 HydrophobicContact CD1-CB 4.34Å; I51-F70 HydrophobicContact CD1-CD2 3.91Å; I51-F70 HydrophobicContact CD1-CG 4.38Å; I51-V72 HydrophobicContact CD1-CG2 3.64Å; I51-V72 HydrophobicContact CG1-CG2 3.92Å; I51-V72 HydrophobicContact CG2-CG1 3.84Å; I51-V72 HydrophobicContact CG2-CG2 4.11Å; I51-L99 HydrophobicContact CG2-CD1 3.95Å; I51-L101 HydrophobicContact CD1-CD2 4.19Å |
| 52 | V | 95.2 | Very high | 91.8 | Very high | 2 Ų | 2 | 59.6 Ų | 59.6 | 1% | 0.012 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -59.9 | -43.7 | 178.7 | 168.5 | 0 | 0 | 0 | 0 | 110.8 | F6 F16 F25 I48 E49 E50 V55 L56 L99 | F6-V52 HydrophobicContact CZ-CG2 4.38Å; F16-V52 HydrophobicContact CD2-CG1 3.98Å; F16-V52 HydrophobicContact CE1-CG1 4.46Å; F16-V52 HydrophobicContact CE2-CG1 3.72Å; F16-V52 HydrophobicContact CE2-CG2 4.21Å; F16-V52 HydrophobicContact CG-CG1 4.43Å; F16-V52 HydrophobicContact CZ-CG1 3.98Å; F16-V52 HydrophobicContact CZ-CG2 4.28Å; F25-V52 HydrophobicContact CD1-CG1 4.45Å; F25-V52 HydrophobicContact CD1-CG2 4.19Å; F25-V52 HydrophobicContact CE1-CB 4.47Å; F25-V52 HydrophobicContact CE1-CG1 4.09Å; F25-V52 HydrophobicContact CE1-CG2 4.29Å; F25-V52 HydrophobicContact CZ-CG1 4.17Å; I48-V52 WeakPolarHBondContact O-CG2 3.22Å; I48-V52 PolarHBondContact O-N 2.83Å; E49-V52 PolarHBondContact O-N 2.81Å; E50-V52 PolarHBondContact O-N 3.48Å; V52-V55 PolarHBondContact O-N 3.25Å; V52-L56 HydrophobicContact CG1-CD1 4.1Å; V52-L56 WeakPolarHBondContact O-CG 3.38Å; V52-L56 PolarHBondContact O-N 3.43Å; V52-L99 HydrophobicContact CG2-CD1 4.15Å |
| 53 | R | 94.4 | Very high | 93.1 | Very high | 139 Ų | 139 | 62.4 Ų | 62.4 | 53% | 0.525 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -63.9 | -44.2 | 177.5 | -69.2 | 171.9 | -173.7 | -147.1 | 16.1 | 111.9 | M1 E49 E50 I51 V55 L56 G57 | M1-R53 PolarHBondContact O-NH2 2.88Å; E49-R53 VanDerWaalsContact O-CG 3.31Å; E49-R53 WeakPolarHBondContact O-CG 3.42Å; E49-R53 PolarHBondContact O-N 3.33Å; E49-R53 IonicContact OE1-CZ 3.37Å; E49-R53 IonicContact OE1-NE 3.37Å; E49-R53 PolarHBondContact OE1-NE 3.41Å; E49-R53 IonicContact OE1-NH2 2.61Å; E49-R53 PolarHBondContact OE1-NH2 3.36Å; E50-R53 PolarHBondContact O-N 2.94Å; I51-R53 VanDerWaalsContact C-N 3.31Å; I51-R53 PolarHBondContact O-N 2.79Å; R53-V55 VanDerWaalsContact C-N 3.3Å; R53-V55 PolarHBondContact O-N 2.61Å; R53-L56 PolarHBondContact O-N 3.37Å; R53-G57 PolarHBondContact O-N 2.93Å |
| 54 | A | 95.6 | Very high | 94 | Very high | 40 Ų | 40 | 61.9 Ų | 61.9 | 33% | 0.331 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60.5 | -40.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | E50 I51 G57 N58 F65 | E50-A54 WeakPolarHBondContact O-CB 3.41Å; E50-A54 PolarHBondContact O-N 2.89Å; I51-A54 PolarHBondContact O-N 3.24Å; A54-G57 PolarHBondContact O-N 3.02Å; A54-N58 PolarHBondContact O-N 2.75Å; A54-N58 PolarHBondContact O-ND2 2.99Å; A54-F65 HydrophobicContact CB-CZ 4.35Å |
| 55 | V | 96.2 | Very high | 94.4 | Very high | 3 Ų | 3 | 64.3 Ų | 64.3 | 2% | 0.018 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -70.5 | -40.6 | 177.7 | 171.6 | 0 | 0 | 0 | 0 | 111.9 | F25 I51 V52 R53 G57 N58 L59 L62 F65 P74 I97 L99 | F25-V55 HydrophobicContact CE1-CB 4.28Å; F25-V55 HydrophobicContact CE1-CG1 3.94Å; F25-V55 HydrophobicContact CZ-CG1 4.08Å; I51-V55 WeakPolarHBondContact O-CG2 3.5Å; I51-V55 PolarHBondContact O-N 2.94Å; V52-V55 PolarHBondContact O-N 3.25Å; R53-V55 VanDerWaalsContact C-N 3.3Å; R53-V55 PolarHBondContact O-N 2.61Å; V55-G57 VanDerWaalsContact C-N 3.26Å; V55-G57 PolarHBondContact O-N 3.43Å; V55-N58 CarbonylContact O-C 3.47Å; V55-N58 PolarHBondContact O-N 3.33Å; V55-L59 PolarHBondContact O-N 3.37Å; V55-L62 HydrophobicContact CG1-CD2 3.84Å; V55-F65 HydrophobicContact CG2-CE1 4.05Å; V55-F65 HydrophobicContact CG2-CZ 4.25Å; V55-P74 HydrophobicContact CG2-CB 4.18Å; V55-I97 HydrophobicContact CG1-CG2 3.75Å; V55-L99 HydrophobicContact CG1-CD2 4.31Å; V55-L99 HydrophobicContact CG2-CD2 3.9Å |
| 56 | L | 94.3 | Very high | 94.6 | Very high | 44 Ų | 44 | 66.5 Ų | 66.5 | 23% | 0.23 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -62.4 | -33.6 | 173.7 | -76.8 | 174.1 | 0 | 0 | 0 | 112.4 | Y23 F25 V52 R53 N58 | Y23-L56 HydrophobicContact CD1-CD2 3.71Å; Y23-L56 HydrophobicContact CD2-CD2 3.98Å; Y23-L56 HydrophobicContact CE1-CD2 4.01Å; Y23-L56 HydrophobicContact CE2-CD2 4.26Å; Y23-L56 HydrophobicContact CG-CD2 3.69Å; F25-L56 HydrophobicContact CE2-CD2 3.73Å; F25-L56 HydrophobicContact CE2-CG 4.12Å; F25-L56 HydrophobicContact CZ-CD2 3.83Å; F25-L56 HydrophobicContact CZ-CG 3.83Å; V52-L56 HydrophobicContact CG1-CD1 4.1Å; V52-L56 WeakPolarHBondContact O-CG 3.38Å; V52-L56 PolarHBondContact O-N 3.43Å; R53-L56 PolarHBondContact O-N 3.37Å; L56-N58 VanDerWaalsContact C-N 3.32Å |
| 57 | G | 93.7 | Very high | 94.7 | Very high | 63 Ų | 63 | 61.3 Ų | 61.3 | 65% | 0.649 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -73.5 | -19.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | R53 A54 V55 | R53-G57 PolarHBondContact O-N 2.93Å; A54-G57 PolarHBondContact O-N 3.02Å; V55-G57 VanDerWaalsContact C-N 3.26Å; V55-G57 PolarHBondContact O-N 3.43Å |
| 58 | N | 94.4 | Very high | 94.5 | Very high | 101 Ų | 101 | 64.7 Ų | 64.7 | 54% | 0.54 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -127 | 39.3 | -172.8 | -64.6 | -68 | 0 | 0 | 0 | 112.3 | A54 V55 L56 D60 Y61 L62 | A54-N58 PolarHBondContact O-N 2.75Å; A54-N58 PolarHBondContact O-ND2 2.99Å; V55-N58 CarbonylContact O-C 3.47Å; V55-N58 PolarHBondContact O-N 3.33Å; L56-N58 VanDerWaalsContact C-N 3.32Å; N58-D60 VanDerWaalsContact C-N 3.27Å; N58-D60 PolarHBondContact O-N 3.26Å; N58-Y61 CarbonylContact O-C 3.55Å; N58-Y61 PolarHBondContact O-N 2.97Å; N58-L62 WeakPolarHBondContact O-CD2 3.38Å |
| 59 | L | 93.2 | Very high | 94.4 | Very high | 22 Ų | 22 | 66 Ų | 66 | 12% | 0.115 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -42.3 | -175.3 | -71.1 | 171.4 | 0 | 0 | 0 | 111.6 | Y23 V55 Y61 K76 Y93 I97 | Y23-L59 HydrophobicContact CD1-CD1 4.36Å; Y23-L59 HydrophobicContact CE1-CD1 3.6Å; V55-L59 PolarHBondContact O-N 3.37Å; L59-Y61 VanDerWaalsContact C-N 3.28Å; L59-Y61 PolarHBondContact O-N 2.81Å; L59-K76 VanDerWaalsContact C-NZ 3.34Å; L59-K76 WeakPolarHBondContact O-CE 3.4Å; L59-K76 PolarHBondContact O-NZ 3.24Å; L59-Y93 HydrophobicContact CD1-CE2 4.29Å; L59-Y93 HydrophobicContact CD2-CE1 4.36Å; L59-I97 HydrophobicContact CD2-CD1 3.42Å; L59-I97 VanDerWaalsContact CD2-CD1 3.42Å; L59-I97 HydrophobicContact CD2-CG1 4.34Å |
| 60 | D | 92.4 | Very high | 94.3 | Very high | 157 Ų | 157 | 65 Ų | 65 | 84% | 0.84 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -24.2 | -172.9 | -61.3 | -36.8 | 0 | 0 | 0 | 114.2 | N58 | N58-D60 VanDerWaalsContact C-N 3.27Å; N58-D60 PolarHBondContact O-N 3.26Å |
| 61 | Y | 93.1 | Very high | 94.3 | Very high | 161 Ų | 161 | 61.8 Ų | 61.8 | 63% | 0.631 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -134 | 77.8 | -176.8 | -167.9 | -115.7 | 0 | 0 | 0 | 111.2 | N58 L59 Q63 | N58-Y61 CarbonylContact O-C 3.55Å; N58-Y61 PolarHBondContact O-N 2.97Å; L59-Y61 VanDerWaalsContact C-N 3.28Å; L59-Y61 PolarHBondContact O-N 2.81Å; Y61-Q63 HydrophobicContact CD1-CG 3.78Å; Y61-Q63 HydrophobicContact CE1-CG 3.44Å; Y61-Q63 VanDerWaalsContact CE1-CG 3.44Å; Y61-Q63 HydrophobicContact CE2-CG 4.31Å; Y61-Q63 HydrophobicContact CG-CG 4.39Å; Y61-Q63 PolarHBondContact O-N 3.36Å; Y61-Q63 VanDerWaalsContact OH-CD 3.28Å; Y61-Q63 PolarHBondContact OH-NE2 2.87Å |
| 62 | L | 95.5 | Very high | 94.4 | Very high | 41 Ų | 41 | 61.8 Ų | 61.8 | 22% | 0.215 | 33% | 0.331 | C | S | . | . | trans | -77.7 | 117.8 | 175.6 | -63.7 | -174.6 | 0 | 0 | 0 | 110.2 | V55 N58 P74 K76 | V55-L62 HydrophobicContact CG1-CD2 3.84Å; N58-L62 WeakPolarHBondContact O-CD2 3.38Å; L62-P74 HydrophobicContact CB-CB 4.34Å; L62-P74 HydrophobicContact CB-CG 4.08Å; L62-P74 HydrophobicContact CD1-CB 4.26Å; L62-P74 HydrophobicContact CD2-CB 4.24Å; L62-P74 HydrophobicContact CD2-CG 4.44Å; L62-K76 HydrophobicContact CD1-CD 4.15Å; L62-K76 HydrophobicContact CD1-CG 3.62Å | ||
| 63 | Q | 95.7 | Very high | 94.5 | Very high | 99 Ų | 99 | 64 Ų | 64 | 46% | 0.463 | 34% | 0.341 | S | S | . | . | trans | -127.8 | 154.5 | 171.9 | -62.5 | -156.4 | -58.2 | 0 | 0 | 110.5 | Y61 F65 P74 | Y61-Q63 HydrophobicContact CD1-CG 3.78Å; Y61-Q63 HydrophobicContact CE1-CG 3.44Å; Y61-Q63 VanDerWaalsContact CE1-CG 3.44Å; Y61-Q63 HydrophobicContact CE2-CG 4.31Å; Y61-Q63 HydrophobicContact CG-CG 4.39Å; Y61-Q63 PolarHBondContact O-N 3.36Å; Y61-Q63 VanDerWaalsContact OH-CD 3.28Å; Y61-Q63 PolarHBondContact OH-NE2 2.87Å; Q63-F65 WeakPolarHBondContact O-CD1 3Å; Q63-P74 WeakPolarHBondContact O-CD 3.5Å; Q63-P74 VanDerWaalsContact O-CG 3.26Å; Q63-P74 WeakPolarHBondContact O-CG 3.42Å | ||
| 64 | P | 97.3 | Very high | 94.6 | Very high | 82 Ų | 82 | 57.9 Ų | 57.9 | 53% | 0.532 | 32% | 0.318 | S | S | . | . | trans | -60.4 | 142.6 | 169.6 | -22 | 34.3 | 0 | 0 | 0 | 111.8 | V72 F73 | P64-V72 WeakPolarHBondContact CA-O 3.29Å; P64-F73 HydrophobicContact CB-CD1 3.69Å; P64-F73 HydrophobicContact CB-CE1 3.91Å; P64-F73 HydrophobicContact CB-CG 4.49Å; P64-F73 HydrophobicContact CG-CD1 3.67Å; P64-F73 HydrophobicContact CG-CE1 4.1Å | ||
| 65 | F | 96.4 | Very high | 94.7 | Very high | 66 Ų | 66 | 61.7 Ų | 61.7 | 29% | 0.289 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 162.1 | 175.8 | 64.5 | -87.4 | 0 | 0 | 0 | 110.9 | I51 A54 V55 Q63 T67 V72 P74 | I51-F65 HydrophobicContact CG1-CE2 4.21Å; I51-F65 HydrophobicContact CG1-CZ 4.4Å; I51-F65 HydrophobicContact CG2-CZ 4.05Å; A54-F65 HydrophobicContact CB-CZ 4.35Å; V55-F65 HydrophobicContact CG2-CE1 4.05Å; V55-F65 HydrophobicContact CG2-CZ 4.25Å; Q63-F65 WeakPolarHBondContact O-CD1 3Å; F65-T67 HydrophobicContact CD2-CG2 4.18Å; F65-T67 HydrophobicContact CE2-CG2 3.89Å; F65-V72 HydrophobicContact CD1-CB 4.2Å; F65-V72 HydrophobicContact CD1-CG1 4.46Å; F65-V72 HydrophobicContact CD2-CB 4.34Å; F65-V72 HydrophobicContact CD2-CG2 4.28Å; F65-V72 HydrophobicContact CE1-CB 3.94Å; F65-V72 HydrophobicContact CE1-CG1 3.8Å; F65-V72 HydrophobicContact CE2-CB 4.1Å; F65-V72 HydrophobicContact CE2-CG2 3.85Å; F65-V72 HydrophobicContact CG-CB 4.4Å; F65-V72 HydrophobicContact CZ-CB 3.9Å; F65-V72 HydrophobicContact CZ-CG1 3.85Å; F65-V72 HydrophobicContact CZ-CG2 4.01Å; F65-V72 PolarHBondContact N-O 3.05Å; F65-V72 VanDerWaalsContact N-O 3.07Å; F65-V72 PolarHBondContact O-N 2.8Å; F65-P74 HydrophobicContact CE1-CG 4.46Å |
| 66 | S | 95.4 | Very high | 94.6 | Very high | 84 Ų | 84 | 65 Ų | 65 | 59% | 0.587 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 141.7 | -179.7 | 60.4 | 0 | 0 | 0 | 0 | 111.8 | F70 | S66-F70 CarbonylContact C-O 3.54Å; S66-F70 WeakPolarHBondContact CA-O 3.22Å |
| 67 | T | 93.6 | Very high | 94.6 | Very high | 32 Ų | 32 | 68.9 Ų | 68.9 | 20% | 0.196 | 35% | 0.354 | C | S | . | . | trans | -112.3 | -164.6 | 168.5 | 65.9 | 0 | 0 | 0 | 0 | 110 | E47 I51 F65 F70 V72 N104 | E47-T67 WeakPolarHBondContact OE1-CB 3.48Å; E47-T67 PolarHBondContact OE1-OG1 2.84Å; I51-T67 HydrophobicContact CD1-CG2 3.95Å; I51-T67 HydrophobicContact CG1-CG2 3.71Å; F65-T67 HydrophobicContact CD2-CG2 4.18Å; F65-T67 HydrophobicContact CE2-CG2 3.89Å; T67-F70 PolarHBondContact N-O 3.14Å; T67-F70 WeakPolarHBondContact OG1-CB 3.4Å; T67-F70 PolarHBondContact OG1-N 2.85Å; T67-F70 VanDerWaalsContact OG1-N 3.14Å; T67-F70 PolarHBondContact OG1-O 2.86Å; T67-V72 HydrophobicContact CG2-CG2 4.32Å; T67-N104 PolarHBondContact O-ND2 3.19Å | ||
| 68 | E | 90.4 | Very high | 94.5 | Very high | 91 Ų | 91 | 71.2 Ų | 71.2 | 43% | 0.425 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -64.1 | -48.7 | 179.2 | -172.9 | 176.6 | 175.5 | 0 | 0 | 111 | E47 R111 | E47-E68 WeakPolarHBondContact OE1-CA 3.35Å; E47-E68 PolarHBondContact OE1-N 2.85Å; E68-R111 IonicContact OE1-CZ 3.13Å; E68-R111 IonicContact OE1-NH2 2.67Å; E68-R111 PolarHBondContact OE1-NH2 2.79Å |
| 69 | H | 90.6 | Very high | 94 | Very high | 30 Ų | 30 | 68.8 Ų | 68.8 | 14% | 0.139 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -110.5 | -12.4 | -174.7 | -50.4 | 97.8 | 0 | 0 | 0 | 113.8 | E41 F44 E47 N104 | E41-H69 IonicContact OE1-CD2 3.85Å; E41-H69 IonicContact OE2-CD2 3.91Å; F44-H69 HydrophobicContact CD1-CB 4.2Å; F44-H69 HydrophobicContact CE1-CB 3.85Å; F44-H69 AromaticContact CE1-CG 3.7Å; F44-H69 AromaticContact CE1-ND1 3.99Å; E47-H69 PolarHBondContact OE1-N 2.79Å; E47-H69 IonicContact OE1-ND1 3.44Å; E47-H69 WeakPolarHBondContact OE2-CB 3.22Å; E47-H69 IonicContact OE2-CE1 3.37Å; E47-H69 IonicContact OE2-CG 3.3Å; E47-H69 IonicContact OE2-ND1 3.51Å; E47-H69 PolarHBondContact OE2-ND1 3.04Å; H69-N104 VanDerWaalsContact C-CB 3.49Å; H69-N104 WeakPolarHBondContact O-CB 3.41Å; H69-N104 PolarHBondContact O-N 2.93Å |
| 70 | F | 93 | Very high | 93.5 | Very high | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 148.6 | -174.9 | -54.3 | -74.6 | 0 | 0 | 0 | 114.3 | F8 F33 F44 E47 I48 I51 S66 T67 V72 L101 E102 | F8-F70 HydrophobicContact CD1-CE1 4.5Å; F8-F70 HydrophobicContact CD1-CZ 4.43Å; F8-F70 AromaticContact CE1-CE1 3.66Å; F8-F70 HydrophobicContact CE1-CE1 3.66Å; F8-F70 AromaticContact CE1-CZ 3.97Å; F8-F70 HydrophobicContact CE1-CZ 3.97Å; F8-F70 HydrophobicContact CE2-CE1 4.44Å; F8-F70 AromaticContact CZ-CE1 3.62Å; F8-F70 HydrophobicContact CZ-CE1 3.62Å; F8-F70 HydrophobicContact CZ-CZ 4.32Å; F33-F70 HydrophobicContact CE1-CD1 4.12Å; F33-F70 AromaticContact CE1-CE1 3.59Å; F33-F70 HydrophobicContact CE1-CE1 3.59Å; F33-F70 HydrophobicContact CE2-CD1 4.49Å; F33-F70 HydrophobicContact CE2-CE1 4.48Å; F33-F70 AromaticContact CZ-CD1 3.56Å; F33-F70 HydrophobicContact CZ-CD1 3.56Å; F33-F70 AromaticContact CZ-CE1 3.47Å; F33-F70 HydrophobicContact CZ-CE1 3.47Å; F33-F70 VanDerWaalsContact CZ-CE1 3.47Å; F44-F70 HydrophobicContact CB-CE2 3.86Å; F44-F70 HydrophobicContact CB-CZ 3.66Å; F44-F70 AromaticContact CD1-CE2 3.91Å; F44-F70 HydrophobicContact CD1-CE2 3.91Å; F44-F70 AromaticContact CD1-CZ 3.74Å; F44-F70 HydrophobicContact CD1-CZ 3.74Å; F44-F70 HydrophobicContact CD2-CZ 4.01Å; F44-F70 HydrophobicContact CE1-CZ 4.4Å; F44-F70 AromaticContact CG-CE2 3.99Å; F44-F70 HydrophobicContact CG-CE2 3.99Å; F44-F70 AromaticContact CG-CZ 3.53Å; F44-F70 HydrophobicContact CG-CZ 3.53Å; E47-F70 HydrophobicContact CB-CE2 4.36Å; E47-F70 VanDerWaalsContact CD-CD2 3.47Å; E47-F70 HydrophobicContact CG-CD2 3.94Å; E47-F70 HydrophobicContact CG-CE2 4.12Å; E47-F70 VanDerWaalsContact OE2-CE2 3.28Å; E47-F70 WeakPolarHBondContact OE2-CE2 3.44Å; I48-F70 HydrophobicContact CG1-CE2 4.28Å; I51-F70 HydrophobicContact CD1-CB 4.34Å; I51-F70 HydrophobicContact CD1-CD2 3.91Å; I51-F70 HydrophobicContact CD1-CG 4.38Å; S66-F70 CarbonylContact C-O 3.54Å; S66-F70 WeakPolarHBondContact CA-O 3.22Å; T67-F70 PolarHBondContact N-O 3.14Å; T67-F70 WeakPolarHBondContact OG1-CB 3.4Å; T67-F70 PolarHBondContact OG1-N 2.85Å; T67-F70 VanDerWaalsContact OG1-N 3.14Å; T67-F70 PolarHBondContact OG1-O 2.86Å; F70-V72 HydrophobicContact CB-CG2 4.15Å; F70-L101 HydrophobicContact CD1-CB 3.88Å; F70-L101 HydrophobicContact CD1-CD1 4.41Å; F70-L101 HydrophobicContact CE1-CB 4.43Å; F70-L101 HydrophobicContact CE1-CD1 4.49Å; F70-L101 HydrophobicContact CG-CB 4.48Å; F70-E102 CarbonylContact C-O 3.52Å; F70-E102 VanDerWaalsContact CA-O 3.26Å; F70-E102 WeakPolarHBondContact CA-O 3.38Å |
| 71 | I | 94.9 | Very high | 92.4 | Very high | 40 Ų | 40 | 71.9 Ų | 71.9 | 21% | 0.205 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 118.7 | 154.1 | -53.6 | 176.4 | 0 | 0 | 0 | 106 | F73 E102 N104 | I71-F73 HydrophobicContact CB-CE2 4.15Å; I71-F73 HydrophobicContact CG2-CD2 4.34Å; I71-F73 HydrophobicContact CG2-CE1 4.45Å; I71-F73 HydrophobicContact CG2-CE2 3.53Å; I71-F73 HydrophobicContact CG2-CZ 3.59Å; I71-E102 HydrophobicContact CB-CB 4.38Å; I71-E102 PolarHBondContact N-O 2.88Å; I71-E102 PolarHBondContact O-N 2.53Å; I71-N104 HydrophobicContact CG1-CB 4.18Å |
| 72 | V | 96.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 126.4 | -172.9 | -173.9 | 0 | 0 | 0 | 0 | 109.2 | I51 P64 F65 T67 F70 P74 L101 | I51-V72 HydrophobicContact CD1-CG2 3.64Å; I51-V72 HydrophobicContact CG1-CG2 3.92Å; I51-V72 HydrophobicContact CG2-CG1 3.84Å; I51-V72 HydrophobicContact CG2-CG2 4.11Å; P64-V72 WeakPolarHBondContact CA-O 3.29Å; F65-V72 HydrophobicContact CD1-CB 4.2Å; F65-V72 HydrophobicContact CD1-CG1 4.46Å; F65-V72 HydrophobicContact CD2-CB 4.34Å; F65-V72 HydrophobicContact CD2-CG2 4.28Å; F65-V72 HydrophobicContact CE1-CB 3.94Å; F65-V72 HydrophobicContact CE1-CG1 3.8Å; F65-V72 HydrophobicContact CE2-CB 4.1Å; F65-V72 HydrophobicContact CE2-CG2 3.85Å; F65-V72 HydrophobicContact CG-CB 4.4Å; F65-V72 HydrophobicContact CZ-CB 3.9Å; F65-V72 HydrophobicContact CZ-CG1 3.85Å; F65-V72 HydrophobicContact CZ-CG2 4.01Å; F65-V72 PolarHBondContact N-O 3.05Å; F65-V72 VanDerWaalsContact N-O 3.07Å; F65-V72 PolarHBondContact O-N 2.8Å; T67-V72 HydrophobicContact CG2-CG2 4.32Å; F70-V72 HydrophobicContact CB-CG2 4.15Å; V72-P74 WeakPolarHBondContact O-CD 3.5Å; V72-L101 HydrophobicContact CB-CD2 4.23Å; V72-L101 HydrophobicContact CG1-CD2 3.93Å; V72-L101 HydrophobicContact CG2-CD2 3.8Å |
| 73 | F | 97.2 | Very high | 89.3 | Confident | 50 Ų | 50 | 68.1 Ų | 68.1 | 22% | 0.219 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 95.5 | 172 | -58.9 | -90.7 | 0 | 0 | 0 | 109.5 | P64 I71 Y75 Y100 E102 | P64-F73 HydrophobicContact CB-CD1 3.69Å; P64-F73 HydrophobicContact CB-CE1 3.91Å; P64-F73 HydrophobicContact CB-CG 4.49Å; P64-F73 HydrophobicContact CG-CD1 3.67Å; P64-F73 HydrophobicContact CG-CE1 4.1Å; I71-F73 HydrophobicContact CB-CE2 4.15Å; I71-F73 HydrophobicContact CG2-CD2 4.34Å; I71-F73 HydrophobicContact CG2-CE1 4.45Å; I71-F73 HydrophobicContact CG2-CE2 3.53Å; I71-F73 HydrophobicContact CG2-CZ 3.59Å; F73-Y75 HydrophobicContact CB-CE2 3.61Å; F73-Y75 VanDerWaalsContact O-CD2 3.22Å; F73-Y75 WeakPolarHBondContact O-CD2 3.47Å; F73-Y75 VanDerWaalsContact O-CE2 3.26Å; F73-Y75 WeakPolarHBondContact O-CE2 3.44Å; F73-Y100 PolarHBondContact N-O 2.72Å; F73-Y100 PolarHBondContact O-N 3.2Å; F73-Y100 VanDerWaalsContact O-N 3.08Å; F73-E102 HydrophobicContact CD2-CG 4.33Å; F73-E102 HydrophobicContact CE2-CB 4.31Å; F73-E102 HydrophobicContact CE2-CG 3.97Å |
| 74 | P | 97.7 | Very high | 87.8 | Confident | 9 Ų | 9 | 72 Ų | 72 | 6% | 0.058 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 135.8 | -179.9 | 32.6 | -32.4 | 0 | 0 | 0 | 111.9 | V55 L62 Q63 F65 V72 I98 L99 | V55-P74 HydrophobicContact CG2-CB 4.18Å; L62-P74 HydrophobicContact CB-CB 4.34Å; L62-P74 HydrophobicContact CB-CG 4.08Å; L62-P74 HydrophobicContact CD1-CB 4.26Å; L62-P74 HydrophobicContact CD2-CB 4.24Å; L62-P74 HydrophobicContact CD2-CG 4.44Å; Q63-P74 WeakPolarHBondContact O-CD 3.5Å; Q63-P74 VanDerWaalsContact O-CG 3.26Å; Q63-P74 WeakPolarHBondContact O-CG 3.42Å; F65-P74 HydrophobicContact CE1-CG 4.46Å; V72-P74 WeakPolarHBondContact O-CD 3.5Å; P74-I98 CarbonylContact C-O 3.5Å; P74-I98 WeakPolarHBondContact CA-O 3.32Å; P74-L99 HydrophobicContact CB-CD2 3.83Å |
| 75 | Y | 96.2 | Very high | 85.9 | Confident | 120 Ų | 120 | 70.6 Ų | 70.6 | 47% | 0.471 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 150 | 177.9 | -59.1 | -90 | 0 | 0 | 0 | 111.7 | F73 I97 I98 Y100 | F73-Y75 HydrophobicContact CB-CE2 3.61Å; F73-Y75 VanDerWaalsContact O-CD2 3.22Å; F73-Y75 WeakPolarHBondContact O-CD2 3.47Å; F73-Y75 VanDerWaalsContact O-CE2 3.26Å; F73-Y75 WeakPolarHBondContact O-CE2 3.44Å; Y75-I97 CarbonylContact O-C 3.47Å; Y75-I97 WeakPolarHBondContact O-CA 3.36Å; Y75-I98 PolarHBondContact N-O 3.28Å; Y75-I98 PolarHBondContact O-N 3.45Å; Y75-Y100 AromaticContact CD2-CD2 3.55Å; Y75-Y100 HydrophobicContact CD2-CD2 3.55Å; Y75-Y100 AromaticContact CD2-CE2 3.89Å; Y75-Y100 HydrophobicContact CD2-CE2 3.89Å; Y75-Y100 AromaticContact CE2-CD2 3.54Å; Y75-Y100 HydrophobicContact CE2-CD2 3.54Å; Y75-Y100 HydrophobicContact CE2-CE2 4.09Å; Y75-Y100 HydrophobicContact CE2-CG 4.43Å |
| 76 | K | 95.3 | Very high | 84.1 | Confident | 72 Ų | 72 | 75.5 Ų | 75.5 | 31% | 0.313 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 130.3 | 166.3 | -77.2 | 173.2 | -172.6 | -172.5 | 0 | 109.9 | L59 L62 Y93 F95 | L59-K76 VanDerWaalsContact C-NZ 3.34Å; L59-K76 WeakPolarHBondContact O-CE 3.4Å; L59-K76 PolarHBondContact O-NZ 3.24Å; L62-K76 HydrophobicContact CD1-CD 4.15Å; L62-K76 HydrophobicContact CD1-CG 3.62Å; K76-Y93 WeakPolarHBondContact CE-OH 3.26Å; K76-Y93 PolarHBondContact NZ-OH 2.91Å; K76-F95 HydrophobicContact CB-CB 4.15Å; K76-F95 HydrophobicContact CB-CD1 4.27Å; K76-F95 HydrophobicContact CB-CG 4.3Å; K76-F95 HydrophobicContact CD-CB 4.48Å; K76-F95 HydrophobicContact CD-CD2 4.46Å; K76-F95 HydrophobicContact CD-CG 4.34Å; K76-F95 HydrophobicContact CG-CB 4.16Å; K76-F95 HydrophobicContact CG-CG 4.46Å |
| 77 | K | 94.2 | Very high | 82.5 | Confident | 127 Ų | 127 | 75.3 Ų | 75.3 | 55% | 0.552 | 38% | 0.383 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 137.1 | 167.4 | -175.3 | 174.3 | 179.2 | 175.5 | 0 | 108.5 | W79 F95 A96 I98 | K77-W79 PolarHBondContact O-N 3.5Å; K77-F95 CarbonylContact O-C 3.54Å; K77-F95 VanDerWaalsContact O-CA 3.31Å; K77-F95 WeakPolarHBondContact O-CA 3.43Å; K77-A96 PolarHBondContact N-O 3.26Å; K77-A96 PolarHBondContact O-N 3.44Å; K77-I98 HydrophobicContact CB-CD1 3.9Å; K77-I98 HydrophobicContact CD-CD1 4.25Å |
| 78 | N | 92.1 | Very high | 81 | Confident | 112 Ų | 112 | 78 Ų | 78 | 60% | 0.599 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -55.8 | 128.4 | 174.2 | -168.9 | -12.1 | 0 | 0 | 0 | 109.5 | G80 P94 F95 | N78-G80 PolarHBondContact O-N 2.93Å; N78-G80 PolarHBondContact OD1-N 3.27Å; N78-P94 PolarHBondContact OD1-O 2.67Å; N78-F95 HydrophobicContact CB-CD1 4.5Å |
| 79 | W | 84.4 | Confident | 80.1 | Confident | 49 Ų | 49 | 83.6 Ų | 83.6 | 19% | 0.186 | 42% | 0.415 | C | S | . | . | trans | -83 | 0.4 | 179.1 | -168.2 | -1.5 | 0 | 0 | 0 | 111.6 | F15 K24 K77 V82 F92 Y93 P94 A96 | F15-W79 AromaticContact CD1-CH2 3.86Å; F15-W79 HydrophobicContact CD1-CH2 3.86Å; F15-W79 HydrophobicContact CD1-CZ2 4.35Å; F15-W79 AromaticContact CE1-CH2 3.5Å; F15-W79 HydrophobicContact CE1-CH2 3.5Å; F15-W79 VanDerWaalsContact CE1-CH2 3.5Å; F15-W79 AromaticContact CE1-CZ2 3.53Å; F15-W79 HydrophobicContact CE1-CZ2 3.53Å; F15-W79 HydrophobicContact CZ-CZ2 4.41Å; K24-W79 HydrophobicContact CB-CD2 4.04Å; K24-W79 HydrophobicContact CB-CE3 3.69Å; K24-W79 HydrophobicContact CB-CH2 3.66Å; K24-W79 HydrophobicContact CB-CZ2 4.05Å; K24-W79 HydrophobicContact CB-CZ3 3.48Å; K24-W79 VanDerWaalsContact CB-CZ3 3.48Å; K24-W79 HydrophobicContact CD-CD2 3.79Å; K24-W79 VanDerWaalsContact CD-CE2 3.44Å; K24-W79 HydrophobicContact CD-CE3 4.31Å; K24-W79 HydrophobicContact CD-CG 4.22Å; K24-W79 HydrophobicContact CD-CH2 4.24Å; K24-W79 HydrophobicContact CD-CZ2 3.74Å; K24-W79 HydrophobicContact CG-CZ2 4.48Å; K77-W79 PolarHBondContact O-N 3.5Å; W79-V82 HydrophobicContact CB-CG2 4.01Å; W79-V82 HydrophobicContact CD2-CG1 4.28Å; W79-V82 HydrophobicContact CD2-CG2 3.88Å; W79-V82 HydrophobicContact CE3-CG2 4.23Å; W79-V82 HydrophobicContact CG-CG2 3.86Å; W79-V82 HydrophobicContact CH2-CG1 4.23Å; W79-V82 HydrophobicContact CZ2-CG1 3.94Å; W79-V82 HydrophobicContact CZ3-CG1 4.49Å; W79-F92 HydrophobicContact CH2-CB 4.41Å; W79-F92 AromaticContact CH2-CD1 3.16Å; W79-F92 HydrophobicContact CH2-CD1 3.16Å; W79-F92 AromaticContact CH2-CE1 3.63Å; W79-F92 HydrophobicContact CH2-CE1 3.63Å; W79-F92 HydrophobicContact CH2-CG 4.13Å; W79-F92 AromaticContact CZ2-CD1 3.97Å; W79-F92 HydrophobicContact CZ2-CD1 3.97Å; W79-F92 HydrophobicContact CZ2-CE1 4.19Å; W79-F92 HydrophobicContact CZ3-CB 4.06Å; W79-F92 AromaticContact CZ3-CD1 3.59Å; W79-F92 HydrophobicContact CZ3-CD1 3.59Å; W79-F92 HydrophobicContact CZ3-CE1 4.46Å; W79-F92 HydrophobicContact CZ3-CG 4.27Å; W79-Y93 VanDerWaalsContact CE3-O 3.26Å; W79-P94 WeakPolarHBondContact CB-O 3.35Å; W79-P94 PolarHBondContact N-O 3.19Å; W79-A96 HydrophobicContact CB-CB 4.32Å; W79-A96 HydrophobicContact CG-CB 4.43Å | ||
| 80 | G | 81.1 | Confident | 79.5 | Confident | 37 Ų | 37 | 84.3 Ų | 84.3 | 38% | 0.381 | 42% | 0.419 | S | S | . | . | trans | 71.1 | -150 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | N78 V82 | N78-G80 PolarHBondContact O-N 2.93Å; N78-G80 PolarHBondContact OD1-N 3.27Å; G80-V82 WeakPolarHBondContact O-CG2 3.5Å; G80-V82 PolarHBondContact O-N 2.67Å; G80-V82 VanDerWaalsContact O-N 3.08Å | ||
| 81 | K | 69.7 | Low | 79.2 | Confident | 208 Ų | 208 | 86.9 Ų | 86.9 | 90% | 0.904 | 44% | 0.437 | S | S | * | . | trans | -73.7 | 103 | -178.3 | -66.4 | -178.3 | -176.8 | 176.3 | 0 | 109.8 | ||||
| 82 | V | 65.6 | Low | 78.9 | Confident | 46 Ų | 46 | 87.1 Ų | 87.1 | 28% | 0.279 | 44% | 0.437 | S | S | . | . | trans | -97.5 | 114.2 | 174.1 | -148.2 | 0 | 0 | 0 | 0 | 109.5 | W79 G80 F92 | W79-V82 HydrophobicContact CB-CG2 4.01Å; W79-V82 HydrophobicContact CD2-CG1 4.28Å; W79-V82 HydrophobicContact CD2-CG2 3.88Å; W79-V82 HydrophobicContact CE3-CG2 4.23Å; W79-V82 HydrophobicContact CG-CG2 3.86Å; W79-V82 HydrophobicContact CH2-CG1 4.23Å; W79-V82 HydrophobicContact CZ2-CG1 3.94Å; W79-V82 HydrophobicContact CZ3-CG1 4.49Å; G80-V82 WeakPolarHBondContact O-CG2 3.5Å; G80-V82 PolarHBondContact O-N 2.67Å; G80-V82 VanDerWaalsContact O-N 3.08Å; V82-F92 HydrophobicContact CB-CB 3.77Å; V82-F92 HydrophobicContact CB-CD2 4.26Å; V82-F92 HydrophobicContact CB-CG 4.09Å; V82-F92 HydrophobicContact CG1-CB 3.35Å; V82-F92 HydrophobicContact CG1-CD1 3.68Å; V82-F92 HydrophobicContact CG1-CD2 3.44Å; V82-F92 VanDerWaalsContact CG1-CD2 3.44Å; V82-F92 HydrophobicContact CG1-CE1 4.26Å; V82-F92 HydrophobicContact CG1-CE2 4.1Å; V82-F92 HydrophobicContact CG1-CG 3.18Å; V82-F92 HydrophobicContact CG1-CZ 4.44Å; V82-F92 HydrophobicContact CG2-CB 4.27Å | ||
| 83 | C | 57.6 | Low | 78.7 | Confident | 77 Ų | 77 | 88.5 Ų | 88.5 | 52% | 0.52 | 44% | 0.443 | S | S | . | . | P | Polyproline II helix | trans | -69.8 | 135 | 177.4 | -64.2 | 0 | 0 | 0 | 0 | 109.6 | F92 | C83-F92 WeakPolarHBondContact O-CD2 3.38Å; C83-F92 WeakPolarHBondContact O-CE2 3.31Å |
| 84 | K | 64 | Low | 78.4 | Confident | 179 Ų | 179 | 89.6 Ų | 89.6 | 78% | 0.778 | 45% | 0.454 | S | S | * | . | P | Polyproline II helix | trans | -68.4 | 145.3 | 175.1 | -63.6 | 177.3 | -178.4 | 175.7 | 0 | 109.5 | ||
| 85 | H | 59 | Low | 78.2 | Confident | 54 Ų | 54 | 92.8 Ų | 92.8 | 25% | 0.25 | 47% | 0.468 | C | S | . | . | P | Polyproline II helix | trans | -88.7 | 121.3 | 172.9 | -172.4 | -103.4 | 0 | 0 | 0 | 109.1 | A87 W232 | H85-A87 VanDerWaalsContact CE1-CB 3.44Å; H85-A87 WeakPolarHBondContact CE1-CB 3.26Å; H85-A87 PolarHBondContact O-N 3.46Å; H85-W232 AromaticContact CD2-CH2 3.93Å; H85-W232 AromaticContact CD2-CZ3 3.43Å; H85-W232 VanDerWaalsContact CD2-CZ3 3.43Å; H85-W232 WeakPolarHBondContact CD2-CZ3 3.41Å; H85-W232 AromaticContact NE2-CH2 3.82Å; H85-W232 AromaticContact NE2-CZ3 3.53Å |
| 86 | D | 57.6 | Low | 78.1 | Confident | 168 Ų | 168 | 87.3 Ų | 87.3 | 90% | 0.898 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | -20.5 | -174.6 | -83.4 | -30.1 | 0 | 0 | 0 | 113.9 | ||
| 87 | A | 61.3 | Low | 78.2 | Confident | 80 Ų | 80 | 83.9 Ų | 83.9 | 66% | 0.661 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | -18.3 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | H85 | H85-A87 VanDerWaalsContact CE1-CB 3.44Å; H85-A87 WeakPolarHBondContact CE1-CB 3.26Å; H85-A87 PolarHBondContact O-N 3.46Å |
| 88 | K | 63.1 | Low | 78.3 | Confident | 90 Ų | 90 | 78.7 Ų | 78.7 | 39% | 0.391 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -144.8 | 139.9 | 177.4 | -69.1 | 172.9 | -175.8 | 149 | 0 | 106.1 | L90 E230 | K88-L90 HydrophobicContact CB-CD1 4.19Å; K88-L90 HydrophobicContact CB-CG 4.03Å; K88-L90 PolarHBondContact O-N 3.16Å; K88-E230 IonicContact NZ-OE1 2.82Å; K88-E230 PolarHBondContact NZ-OE1 2.93Å; K88-E230 IonicContact NZ-OE2 2.85Å; K88-E230 PolarHBondContact NZ-OE2 3.19Å |
| 89 | K | 71.8 | Confident | 78.6 | Confident | 207 Ų | 207 | 73.4 Ų | 73.4 | 90% | 0.9 | 38% | 0.382 | S | S | * | . | trans | -66.5 | 39.3 | -179.3 | -161.1 | -174.7 | 179 | -177.9 | 0 | 113 | ||||
| 90 | L | 77.8 | Confident | 79.2 | Confident | 45 Ų | 45 | 75.2 Ų | 75.2 | 24% | 0.236 | 39% | 0.39 | C | S | . | . | P | Polyproline II helix | trans | -88.8 | 119.1 | 178.2 | -62.5 | 178.2 | 0 | 0 | 0 | 108.1 | S20 I22 K88 | S20-L90 VanDerWaalsContact O-CA 3.26Å; S20-L90 WeakPolarHBondContact O-CA 3.29Å; I22-L90 HydrophobicContact CD1-CB 3.94Å; I22-L90 HydrophobicContact CD1-CD1 4.22Å; I22-L90 HydrophobicContact CG1-CB 4.23Å; I22-L90 HydrophobicContact CG1-CD1 4.39Å; K88-L90 HydrophobicContact CB-CD1 4.19Å; K88-L90 HydrophobicContact CB-CG 4.03Å; K88-L90 PolarHBondContact O-N 3.16Å |
| 91 | S | 85.1 | Confident | 79.8 | Confident | 55 Ų | 55 | 73.5 Ų | 73.5 | 39% | 0.385 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 160.3 | 169.2 | 41.8 | 0 | 0 | 0 | 0 | 109.7 | S20 L21 I22 | S20-S91 PolarHBondContact O-N 3.37Å; L21-S91 CarbonylContact C-O 3.49Å; L21-S91 VanDerWaalsContact CA-O 3.29Å; L21-S91 WeakPolarHBondContact CA-O 3.45Å; L21-S91 WeakPolarHBondContact CD2-OG 3.32Å; I22-S91 PolarHBondContact N-O 3.44Å |
| 92 | F | 89.9 | Confident | 80.9 | Confident | 45 Ų | 45 | 68.1 Ų | 68.1 | 20% | 0.197 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 140.6 | 172.4 | -70.8 | -84.5 | 0 | 0 | 0 | 110 | I22 W79 V82 C83 | I22-F92 HydrophobicContact CB-CD1 3.62Å; I22-F92 HydrophobicContact CB-CE1 3.84Å; I22-F92 HydrophobicContact CB-CG 4.44Å; I22-F92 HydrophobicContact CD1-CD1 4.12Å; I22-F92 HydrophobicContact CD1-CE1 3.65Å; I22-F92 HydrophobicContact CD1-CE2 4.36Å; I22-F92 HydrophobicContact CD1-CZ 3.79Å; I22-F92 HydrophobicContact CG1-CD1 4.46Å; I22-F92 HydrophobicContact CG1-CE1 4.36Å; I22-F92 HydrophobicContact CG2-CD1 3.75Å; I22-F92 HydrophobicContact CG2-CE1 3.68Å; W79-F92 HydrophobicContact CH2-CB 4.41Å; W79-F92 AromaticContact CH2-CD1 3.16Å; W79-F92 HydrophobicContact CH2-CD1 3.16Å; W79-F92 AromaticContact CH2-CE1 3.63Å; W79-F92 HydrophobicContact CH2-CE1 3.63Å; W79-F92 HydrophobicContact CH2-CG 4.13Å; W79-F92 AromaticContact CZ2-CD1 3.97Å; W79-F92 HydrophobicContact CZ2-CD1 3.97Å; W79-F92 HydrophobicContact CZ2-CE1 4.19Å; W79-F92 HydrophobicContact CZ3-CB 4.06Å; W79-F92 AromaticContact CZ3-CD1 3.59Å; W79-F92 HydrophobicContact CZ3-CD1 3.59Å; W79-F92 HydrophobicContact CZ3-CE1 4.46Å; W79-F92 HydrophobicContact CZ3-CG 4.27Å; V82-F92 HydrophobicContact CB-CB 3.77Å; V82-F92 HydrophobicContact CB-CD2 4.26Å; V82-F92 HydrophobicContact CB-CG 4.09Å; V82-F92 HydrophobicContact CG1-CB 3.35Å; V82-F92 HydrophobicContact CG1-CD1 3.68Å; V82-F92 HydrophobicContact CG1-CD2 3.44Å; V82-F92 VanDerWaalsContact CG1-CD2 3.44Å; V82-F92 HydrophobicContact CG1-CE1 4.26Å; V82-F92 HydrophobicContact CG1-CE2 4.1Å; V82-F92 HydrophobicContact CG1-CG 3.18Å; V82-F92 HydrophobicContact CG1-CZ 4.44Å; V82-F92 HydrophobicContact CG2-CB 4.27Å; C83-F92 WeakPolarHBondContact O-CD2 3.38Å; C83-F92 WeakPolarHBondContact O-CE2 3.31Å |
| 93 | Y | 91.6 | Very high | 82.1 | Confident | 29 Ų | 29 | 68.7 Ų | 68.7 | 11% | 0.114 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 132.3 | 169.4 | -172.2 | -119.6 | 0 | 0 | 0 | 108.9 | I22 Y23 L59 K76 W79 F95 I97 | I22-Y93 PolarHBondContact O-N 3.15Å; Y23-Y93 AromaticContact CD1-CD1 3.87Å; Y23-Y93 HydrophobicContact CD1-CD1 3.87Å; Y23-Y93 HydrophobicContact CD1-CD2 4.26Å; Y23-Y93 AromaticContact CD1-CG 3.66Å; Y23-Y93 HydrophobicContact CD1-CG 3.66Å; Y23-Y93 HydrophobicContact CE1-CD1 4.2Å; Y23-Y93 AromaticContact CE1-CD2 3.81Å; Y23-Y93 HydrophobicContact CE1-CD2 3.81Å; Y23-Y93 HydrophobicContact CE1-CE2 4.43Å; Y23-Y93 AromaticContact CE1-CG 3.7Å; Y23-Y93 HydrophobicContact CE1-CG 3.7Å; L59-Y93 HydrophobicContact CD1-CE2 4.29Å; L59-Y93 HydrophobicContact CD2-CE1 4.36Å; K76-Y93 WeakPolarHBondContact CE-OH 3.26Å; K76-Y93 PolarHBondContact NZ-OH 2.91Å; W79-Y93 VanDerWaalsContact CE3-O 3.26Å; Y93-F95 HydrophobicContact CD1-CB 4.09Å; Y93-F95 WeakPolarHBondContact CD1-O 3.24Å; Y93-F95 HydrophobicContact CE1-CB 3.75Å; Y93-F95 AromaticContact CE1-CD2 3.94Å; Y93-F95 HydrophobicContact CE1-CD2 3.94Å; Y93-F95 HydrophobicContact CE1-CG 4.34Å; Y93-F95 AromaticContact CZ-CD2 3.95Å; Y93-F95 PolarHBondContact O-N 3.49Å; Y93-I97 HydrophobicContact CD1-CD1 4.46Å; Y93-I97 HydrophobicContact CE1-CD1 4.4Å |
| 94 | P | 91.6 | Very high | 83.6 | Confident | 72 Ų | 72 | 65.8 Ų | 65.8 | 47% | 0.468 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | -18.5 | -172.6 | -25.2 | 34.6 | 0 | 0 | 0 | 114.9 | N78 W79 | N78-P94 PolarHBondContact OD1-O 2.67Å; W79-P94 WeakPolarHBondContact CB-O 3.35Å; W79-P94 PolarHBondContact N-O 3.19Å |
| 95 | F | 93.7 | Very high | 84.3 | Confident | 77 Ų | 77 | 61.5 Ų | 61.5 | 34% | 0.338 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 143.8 | -177.5 | -55.1 | -85.8 | 0 | 0 | 0 | 111.3 | K76 K77 N78 Y93 | K76-F95 HydrophobicContact CB-CB 4.15Å; K76-F95 HydrophobicContact CB-CD1 4.27Å; K76-F95 HydrophobicContact CB-CG 4.3Å; K76-F95 HydrophobicContact CD-CB 4.48Å; K76-F95 HydrophobicContact CD-CD2 4.46Å; K76-F95 HydrophobicContact CD-CG 4.34Å; K76-F95 HydrophobicContact CG-CB 4.16Å; K76-F95 HydrophobicContact CG-CG 4.46Å; K77-F95 CarbonylContact O-C 3.54Å; K77-F95 VanDerWaalsContact O-CA 3.31Å; K77-F95 WeakPolarHBondContact O-CA 3.43Å; N78-F95 HydrophobicContact CB-CD1 4.5Å; Y93-F95 HydrophobicContact CD1-CB 4.09Å; Y93-F95 WeakPolarHBondContact CD1-O 3.24Å; Y93-F95 HydrophobicContact CE1-CB 3.75Å; Y93-F95 AromaticContact CE1-CD2 3.94Å; Y93-F95 HydrophobicContact CE1-CD2 3.94Å; Y93-F95 HydrophobicContact CE1-CG 4.34Å; Y93-F95 AromaticContact CZ-CD2 3.95Å; Y93-F95 PolarHBondContact O-N 3.49Å |
| 96 | A | 94.7 | Very high | 84.5 | Confident | 5 Ų | 5 | 66.7 Ų | 66.7 | 4% | 0.041 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 131.2 | 160.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | K24 K77 W79 | K24-A96 HydrophobicContact CB-CB 4.43Å; K24-A96 HydrophobicContact CD-CB 4.12Å; K24-A96 HydrophobicContact CG-CB 4.3Å; K77-A96 PolarHBondContact N-O 3.26Å; K77-A96 PolarHBondContact O-N 3.44Å; W79-A96 HydrophobicContact CB-CB 4.32Å; W79-A96 HydrophobicContact CG-CB 4.43Å |
| 97 | I | 96.8 | Very high | 84.5 | Confident | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 129 | 175.8 | -63 | 158.2 | 0 | 0 | 0 | 107.4 | Y23 K24 F25 K26 V55 L59 Y75 Y93 L99 | Y23-I97 HydrophobicContact CD1-CD1 4.4Å; K24-I97 PolarHBondContact O-N 2.75Å; F25-I97 CarbonylContact C-O 3.5Å; F25-I97 VanDerWaalsContact CA-O 3.29Å; F25-I97 WeakPolarHBondContact CA-O 3.44Å; F25-I97 HydrophobicContact CD1-CB 4.17Å; F25-I97 HydrophobicContact CD1-CG2 3.87Å; F25-I97 HydrophobicContact CD2-CB 4.28Å; F25-I97 HydrophobicContact CD2-CD1 4.17Å; F25-I97 HydrophobicContact CE1-CB 4.1Å; F25-I97 HydrophobicContact CE1-CD1 4.24Å; F25-I97 HydrophobicContact CE1-CG2 3.59Å; F25-I97 HydrophobicContact CE2-CB 4.25Å; F25-I97 HydrophobicContact CE2-CD1 3.42Å; F25-I97 VanDerWaalsContact CE2-CD1 3.42Å; F25-I97 HydrophobicContact CE2-CG1 4.42Å; F25-I97 HydrophobicContact CG-CB 4.27Å; F25-I97 HydrophobicContact CG-CG2 4.47Å; F25-I97 HydrophobicContact CZ-CB 4.15Å; F25-I97 HydrophobicContact CZ-CD1 3.46Å; F25-I97 VanDerWaalsContact CZ-CD1 3.46Å; F25-I97 HydrophobicContact CZ-CG1 4.4Å; F25-I97 HydrophobicContact CZ-CG2 3.98Å; K26-I97 PolarHBondContact N-O 3.35Å; V55-I97 HydrophobicContact CG1-CG2 3.75Å; L59-I97 HydrophobicContact CD2-CD1 3.42Å; L59-I97 VanDerWaalsContact CD2-CD1 3.42Å; L59-I97 HydrophobicContact CD2-CG1 4.34Å; Y75-I97 CarbonylContact O-C 3.47Å; Y75-I97 WeakPolarHBondContact O-CA 3.36Å; Y93-I97 HydrophobicContact CD1-CD1 4.46Å; Y93-I97 HydrophobicContact CE1-CD1 4.4Å; I97-L99 HydrophobicContact CG2-CD2 3.97Å; I97-L99 HydrophobicContact CG2-CG 4.44Å |
| 98 | I | 96.9 | Very high | 84.1 | Confident | 18 Ų | 18 | 64.2 Ų | 64.2 | 9% | 0.092 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 121.4 | 179.5 | -49.4 | 177.2 | 0 | 0 | 0 | 107.2 | K26 P74 Y75 K77 Y100 | K26-I98 HydrophobicContact CB-CG1 4.34Å; K26-I98 HydrophobicContact CB-CG2 4.25Å; K26-I98 HydrophobicContact CD-CG1 4.4Å; K26-I98 CarbonylContact O-C 3.54Å; K26-I98 WeakPolarHBondContact O-CA 3.28Å; P74-I98 CarbonylContact C-O 3.5Å; P74-I98 WeakPolarHBondContact CA-O 3.32Å; Y75-I98 PolarHBondContact N-O 3.28Å; Y75-I98 PolarHBondContact O-N 3.45Å; K77-I98 HydrophobicContact CB-CD1 3.9Å; K77-I98 HydrophobicContact CD-CD1 4.25Å; I98-Y100 HydrophobicContact CB-CE2 4.32Å; I98-Y100 HydrophobicContact CG2-CD2 3.9Å; I98-Y100 HydrophobicContact CG2-CE2 3.39Å |
| 99 | L | 97.2 | Very high | 83.4 | Confident | 1 Ų | 1 | 63.4 Ų | 63.4 | 1% | 0.005 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 113.8 | 176.5 | -56.7 | -177.2 | 0 | 0 | 0 | 108.1 | F25 K26 I27 R28 I51 V52 V55 P74 I97 | F25-L99 HydrophobicContact CD1-CD1 3.74Å; F25-L99 HydrophobicContact CD1-CG 4.06Å; F25-L99 HydrophobicContact CE1-CD1 4.01Å; F25-L99 HydrophobicContact CE1-CG 4.38Å; K26-L99 PolarHBondContact O-N 3.13Å; I27-L99 HydrophobicContact CG1-CD1 4.25Å; R28-L99 PolarHBondContact N-O 2.82Å; I51-L99 HydrophobicContact CG2-CD1 3.95Å; V52-L99 HydrophobicContact CG2-CD1 4.15Å; V55-L99 HydrophobicContact CG1-CD2 4.31Å; V55-L99 HydrophobicContact CG2-CD2 3.9Å; P74-L99 HydrophobicContact CB-CD2 3.83Å; I97-L99 HydrophobicContact CG2-CD2 3.97Å; I97-L99 HydrophobicContact CG2-CG 4.44Å |
| 100 | Y | 96.6 | Very high | 82.3 | Confident | 87 Ų | 87 | 59.3 Ų | 59.3 | 34% | 0.341 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 121.6 | 165.1 | -68.5 | -92.6 | 0 | 0 | 0 | 108.1 | R28 F73 Y75 I98 | R28-Y100 HydrophobicContact CB-CD1 4.05Å; R28-Y100 HydrophobicContact CB-CE1 4.3Å; R28-Y100 WeakPolarHBondContact O-CA 3.28Å; F73-Y100 PolarHBondContact N-O 2.72Å; F73-Y100 PolarHBondContact O-N 3.2Å; F73-Y100 VanDerWaalsContact O-N 3.08Å; Y75-Y100 AromaticContact CD2-CD2 3.55Å; Y75-Y100 HydrophobicContact CD2-CD2 3.55Å; Y75-Y100 AromaticContact CD2-CE2 3.89Å; Y75-Y100 HydrophobicContact CD2-CE2 3.89Å; Y75-Y100 AromaticContact CE2-CD2 3.54Å; Y75-Y100 HydrophobicContact CE2-CD2 3.54Å; Y75-Y100 HydrophobicContact CE2-CE2 4.09Å; Y75-Y100 HydrophobicContact CE2-CG 4.43Å; I98-Y100 HydrophobicContact CB-CE2 4.32Å; I98-Y100 HydrophobicContact CG2-CD2 3.9Å; I98-Y100 HydrophobicContact CG2-CE2 3.39Å |
| 101 | L | 94.9 | Very high | 80.9 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 121.7 | 179.8 | -55.4 | 180 | 0 | 0 | 0 | 107.6 | F8 I27 R28 G29 G30 F33 I48 I51 F70 V72 | F8-L101 HydrophobicContact CD2-CD1 4.04Å; F8-L101 HydrophobicContact CE2-CB 4.13Å; F8-L101 HydrophobicContact CE2-CD1 3.76Å; F8-L101 HydrophobicContact CE2-CG 4.49Å; F8-L101 HydrophobicContact CZ-CB 4.48Å; F8-L101 HydrophobicContact CZ-CD1 4.48Å; I27-L101 HydrophobicContact CG2-CD1 3.83Å; R28-L101 PolarHBondContact O-N 3.46Å; G29-L101 CarbonylContact C-O 3.56Å; G30-L101 PolarHBondContact N-O 3.4Å; F33-L101 VanDerWaalsContact CE2-O 3.29Å; F33-L101 WeakPolarHBondContact CE2-O 2.95Å; I48-L101 HydrophobicContact CD1-CD1 4.45Å; I48-L101 HydrophobicContact CG1-CD1 4.23Å; I51-L101 HydrophobicContact CD1-CD2 4.19Å; F70-L101 HydrophobicContact CD1-CB 3.88Å; F70-L101 HydrophobicContact CD1-CD1 4.41Å; F70-L101 HydrophobicContact CE1-CB 4.43Å; F70-L101 HydrophobicContact CE1-CD1 4.49Å; F70-L101 HydrophobicContact CG-CB 4.48Å; V72-L101 HydrophobicContact CB-CD2 4.23Å; V72-L101 HydrophobicContact CG1-CD2 3.93Å; V72-L101 HydrophobicContact CG2-CD2 3.8Å |
| 102 | E | 92.9 | Very high | 79.3 | Confident | 96 Ų | 96 | 67.4 Ų | 67.4 | 45% | 0.449 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 152.4 | 170 | -66.5 | -166 | 166.4 | 0 | 0 | 110.1 | F70 I71 F73 N104 | F70-E102 CarbonylContact C-O 3.52Å; F70-E102 VanDerWaalsContact CA-O 3.26Å; F70-E102 WeakPolarHBondContact CA-O 3.38Å; I71-E102 HydrophobicContact CB-CB 4.38Å; I71-E102 PolarHBondContact N-O 2.88Å; I71-E102 PolarHBondContact O-N 2.53Å; F73-E102 HydrophobicContact CD2-CG 4.33Å; F73-E102 HydrophobicContact CE2-CB 4.31Å; F73-E102 HydrophobicContact CE2-CG 3.97Å; E102-N104 PolarHBondContact O-N 3.27Å |
| 103 | K | 90.5 | Very high | 77.2 | Confident | 57 Ų | 57 | 70.9 Ų | 70.9 | 25% | 0.248 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 129.3 | -179.9 | -172.6 | 178 | -177.3 | 178 | 0 | 110.1 | S32 F33 E37 T105 | S32-K103 WeakPolarHBondContact OG-CB 3.36Å; S32-K103 PolarHBondContact OG-N 3.24Å; F33-K103 HydrophobicContact CE1-CB 3.92Å; F33-K103 HydrophobicContact CE1-CG 4.25Å; F33-K103 HydrophobicContact CE2-CB 4.18Å; F33-K103 VanDerWaalsContact CZ-CA 3.46Å; F33-K103 HydrophobicContact CZ-CB 3.68Å; F33-K103 HydrophobicContact CZ-CG 4.44Å; F33-K103 VanDerWaalsContact CZ-N 3.31Å; E37-K103 VanDerWaalsContact CD-NZ 3.29Å; E37-K103 IonicContact OE1-NZ 3.69Å; E37-K103 IonicContact OE2-NZ 2.63Å; E37-K103 PolarHBondContact OE2-NZ 3.28Å; K103-T105 PolarHBondContact O-N 3.43Å; K103-T105 VanDerWaalsContact O-N 3.13Å |
| 104 | N | 89.1 | Confident | 75.1 | Confident | 17 Ų | 17 | 72.8 Ų | 72.8 | 9% | 0.091 | 35% | 0.352 | C | S | . | . | trans | -80.7 | 90.9 | 175.4 | -168.6 | -6.7 | 0 | 0 | 0 | 110.5 | T67 H69 I71 E102 F106 | T67-N104 PolarHBondContact O-ND2 3.19Å; H69-N104 VanDerWaalsContact C-CB 3.49Å; H69-N104 WeakPolarHBondContact O-CB 3.41Å; H69-N104 PolarHBondContact O-N 2.93Å; I71-N104 HydrophobicContact CG1-CB 4.18Å; E102-N104 PolarHBondContact O-N 3.27Å; N104-F106 VanDerWaalsContact C-N 3.25Å; N104-F106 PolarHBondContact O-N 3.27Å; N104-F106 PolarHBondContact OD1-N 3.2Å | ||
| 105 | T | 78.4 | Confident | 73.3 | Confident | 89 Ų | 89 | 76.1 Ų | 76.1 | 55% | 0.546 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -73.8 | -13 | -178.4 | 54 | 0 | 0 | 0 | 0 | 113.9 | K103 R107 | K103-T105 PolarHBondContact O-N 3.43Å; K103-T105 VanDerWaalsContact O-N 3.13Å; T105-R107 VanDerWaalsContact C-N 3.27Å; T105-R107 PolarHBondContact O-N 3.38Å |
| 106 | F | 62.3 | Low | 71.2 | Confident | 162 Ų | 162 | 79.4 Ų | 79.4 | 71% | 0.711 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -69.7 | -20.4 | -175.9 | -70.1 | -82.4 | 0 | 0 | 0 | 114 | N104 | N104-F106 VanDerWaalsContact C-N 3.25Å; N104-F106 PolarHBondContact O-N 3.27Å; N104-F106 PolarHBondContact OD1-N 3.2Å |
| 107 | R | 58 | Low | 69.1 | Low | 160 Ų | 160 | 86.4 Ų | 86.4 | 60% | 0.604 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -99.3 | -22.3 | -179.6 | -74.8 | -177.5 | 170.9 | -97.3 | -1 | 114.4 | T105 T109 Q110 | T105-R107 VanDerWaalsContact C-N 3.27Å; T105-R107 PolarHBondContact O-N 3.38Å; R107-T109 VanDerWaalsContact C-N 3.3Å; R107-T109 PolarHBondContact O-N 3.37Å; R107-Q110 PolarHBondContact O-N 2.84Å |
| 108 | G | 53.3 | Low | 66.9 | Low | 36 Ų | 36 | 94 Ų | 94 | 37% | 0.371 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -60.8 | -38.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q110 R111 E112 | G108-Q110 PolarHBondContact O-N 3.48Å; G108-R111 PolarHBondContact O-N 3.38Å; G108-E112 PolarHBondContact O-N 3Å |
| 109 | T | 48.6 | Very low | 64.7 | Low | 74 Ų | 74 | 99.9 Ų | 99.9 | 45% | 0.454 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65.9 | -21.2 | 179.8 | -26.5 | 0 | 0 | 0 | 0 | 113.4 | R107 K113 | R107-T109 VanDerWaalsContact C-N 3.3Å; R107-T109 PolarHBondContact O-N 3.37Å; T109-K113 WeakPolarHBondContact O-CD 3.37Å; T109-K113 VanDerWaalsContact O-CG 3.24Å; T109-K113 WeakPolarHBondContact O-CG 3.34Å; T109-K113 PolarHBondContact O-N 3.3Å |
| 110 | Q | 47.7 | Very low | 62.2 | Low | 121 Ų | 121 | 105.1 Ų | 105.1 | 57% | 0.565 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -84.1 | -35.3 | 177.3 | -70.4 | -74 | 33.2 | 0 | 0 | 112.4 | R107 G108 T114 | R107-Q110 PolarHBondContact O-N 2.84Å; G108-Q110 PolarHBondContact O-N 3.48Å; Q110-T114 WeakPolarHBondContact O-CB 3.42Å; Q110-T114 PolarHBondContact O-N 2.69Å; Q110-T114 PolarHBondContact O-OG1 2.66Å |
| 111 | R | 48.5 | Very low | 59.6 | Low | 129 Ų | 129 | 106.3 Ų | 106.3 | 49% | 0.487 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -69.1 | -36.5 | 175.8 | -89.1 | -175 | 178.7 | 159.7 | 8.1 | 111.9 | E41 E68 G108 T114 K115 | E41-R111 IonicContact OE1-NH1 3.05Å; E68-R111 IonicContact OE1-CZ 3.13Å; E68-R111 IonicContact OE1-NH2 2.67Å; E68-R111 PolarHBondContact OE1-NH2 2.79Å; G108-R111 PolarHBondContact O-N 3.38Å; R111-T114 PolarHBondContact O-N 3.3Å; R111-K115 WeakPolarHBondContact O-CB 3.19Å; R111-K115 WeakPolarHBondContact O-CG 3.4Å; R111-K115 PolarHBondContact O-N 2.74Å |
| 112 | E | 51.1 | Low | 57.1 | Low | 141 Ų | 141 | 112.8 Ų | 112.8 | 66% | 0.659 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -66.6 | -45.7 | 174.2 | -72.7 | 179.2 | 163.1 | 0 | 0 | 111.9 | G108 T114 K115 E116 | G108-E112 PolarHBondContact O-N 3Å; E112-T114 VanDerWaalsContact C-N 3.25Å; E112-T114 PolarHBondContact O-N 2.72Å; E112-K115 PolarHBondContact O-N 3.05Å; E112-E116 WeakPolarHBondContact O-CB 3.27Å; E112-E116 PolarHBondContact O-N 3.2Å |
| 113 | K | 47.5 | Very low | 54.5 | Low | 118 Ų | 118 | 117.3 Ų | 117.3 | 51% | 0.513 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -59.7 | -34.7 | 173.5 | -74.8 | 175.8 | -178.9 | -179.8 | 0 | 113.1 | T109 M117 | T109-K113 WeakPolarHBondContact O-CD 3.37Å; T109-K113 VanDerWaalsContact O-CG 3.24Å; T109-K113 WeakPolarHBondContact O-CG 3.34Å; T109-K113 PolarHBondContact O-N 3.3Å; K113-M117 PolarHBondContact O-N 2.99Å |
| 114 | T | 46.6 | Very low | 52.1 | Low | 68 Ų | 68 | 120.1 Ų | 120.1 | 42% | 0.417 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -75.9 | -36.6 | 178.1 | -50.5 | 0 | 0 | 0 | 0 | 112 | Q110 R111 E112 M117 Q118 | Q110-T114 WeakPolarHBondContact O-CB 3.42Å; Q110-T114 PolarHBondContact O-N 2.69Å; Q110-T114 PolarHBondContact O-OG1 2.66Å; R111-T114 PolarHBondContact O-N 3.3Å; E112-T114 VanDerWaalsContact C-N 3.25Å; E112-T114 PolarHBondContact O-N 2.72Å; T114-M117 PolarHBondContact O-N 3.4Å; T114-Q118 WeakPolarHBondContact O-CG 3.43Å; T114-Q118 PolarHBondContact O-N 3.49Å |
| 115 | K | 52.9 | Low | 50.4 | Low | 143 Ų | 143 | 126.6 Ų | 126.6 | 62% | 0.622 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -68.9 | -34.7 | 172.9 | -74.8 | 178.4 | -179.8 | 179.1 | 0 | 112 | R111 E112 Q118 L119 | R111-K115 WeakPolarHBondContact O-CB 3.19Å; R111-K115 WeakPolarHBondContact O-CG 3.4Å; R111-K115 PolarHBondContact O-N 2.74Å; E112-K115 PolarHBondContact O-N 3.05Å; K115-Q118 PolarHBondContact O-N 3.08Å; K115-L119 PolarHBondContact O-N 3.12Å |
| 116 | E | 50.8 | Low | 48.6 | Very low | 146 Ų | 146 | 131.1 Ų | 131.1 | 68% | 0.682 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -68.9 | -34.7 | 174.2 | -165 | 173.3 | -174.5 | 0 | 0 | 112 | E112 | E112-E116 WeakPolarHBondContact O-CB 3.27Å; E112-E116 PolarHBondContact O-N 3.2Å |
| 117 | M | 51.3 | Low | 47.8 | Very low | 152 Ų | 152 | 128.8 Ų | 128.8 | 75% | 0.749 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -73.1 | -27.8 | 172.3 | -84.8 | 176 | 124.6 | 0 | 0 | 114.2 | K113 T114 | K113-M117 PolarHBondContact O-N 2.99Å; T114-M117 PolarHBondContact O-N 3.4Å |
| 118 | Q | 50.1 | Low | 47.4 | Very low | 158 Ų | 158 | 132.4 Ų | 132.4 | 74% | 0.738 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -85.9 | -9.6 | 178.7 | -72.9 | -178.2 | 17.3 | 0 | 0 | 114.1 | T114 K115 | T114-Q118 WeakPolarHBondContact O-CG 3.43Å; T114-Q118 PolarHBondContact O-N 3.49Å; K115-Q118 PolarHBondContact O-N 3.08Å |
| 119 | L | 49.5 | Very low | 46.8 | Very low | 142 Ų | 142 | 135.5 Ų | 135.5 | 74% | 0.743 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96 | 19.7 | 175.7 | -82.4 | 164.9 | 0 | 0 | 0 | 113.4 | K115 P121 | K115-L119 PolarHBondContact O-N 3.12Å; L119-P121 VanDerWaalsContact O-CD 3.24Å; L119-P121 WeakPolarHBondContact O-CD 3.4Å |
| 120 | I | 46.4 | Very low | 47 | Very low | 112 Ų | 112 | 142.2 Ų | 142.2 | 57% | 0.574 | 71% | 0.707 | S | S | * | * | trans | -95.5 | 102.5 | 165.5 | -53.5 | 175.7 | 0 | 0 | 0 | 107.4 | T122 | I120-T122 PolarHBondContact O-N 3.06Š| ||
| 121 | P | 40.9 | Very low | 47 | Very low | 111 Ų | 111 | 147.1 Ų | 147.1 | 72% | 0.721 | 72% | 0.72 | S | S | * | * | trans | -63.8 | 131 | 165.8 | -13.2 | 28.4 | 0 | 0 | 0 | 108.4 | L119 F123 | L119-P121 VanDerWaalsContact O-CD 3.24Å; L119-P121 WeakPolarHBondContact O-CD 3.4Å; P121-F123 PolarHBondContact O-N 3.07Å; P121-F123 VanDerWaalsContact O-N 3.16Å | ||
| 122 | T | 42.4 | Very low | 47.4 | Very low | 137 Ų | 137 | 146.2 Ų | 146.2 | 84% | 0.84 | 73% | 0.734 | S | S | * | * | trans | -45.3 | 120.8 | 166.1 | -51.8 | 0 | 0 | 0 | 0 | 109.7 | I120 S124 | I120-T122 PolarHBondContact O-N 3.06Å; T122-S124 PolarHBondContact O-N 3.4Å | ||
| 123 | F | 38.4 | Very low | 47.6 | Very low | 190 Ų | 190 | 149.4 Ų | 149.4 | 83% | 0.833 | 74% | 0.74 | S | S | * | * | trans | -41 | 117.5 | 175.5 | -72 | -99 | 0 | 0 | 0 | 112.3 | P121 | P121-F123 PolarHBondContact O-N 3.07Å; P121-F123 VanDerWaalsContact O-N 3.16Å | ||
| 124 | S | 39.2 | Very low | 48 | Very low | 116 Ų | 116 | 145.7 Ų | 145.7 | 81% | 0.811 | 74% | 0.736 | S | S | * | * | trans | -96.6 | 127.3 | 148.7 | 179.2 | 0 | 0 | 0 | 0 | 106.6 | T122 E126 | T122-S124 PolarHBondContact O-N 3.4Å; S124-E126 PolarHBondContact O-N 3.39Å | ||
| 125 | D | 53.5 | Low | 48.6 | Very low | 153 Ų | 153 | 148.8 Ų | 148.8 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | trans | -55.1 | 119.3 | 177 | -71.1 | -58.1 | 0 | 0 | 0 | 112.3 | ||||
| 126 | E | 40.6 | Very low | 49.3 | Very low | 184 Ų | 184 | 143.9 Ų | 143.9 | 86% | 0.86 | 73% | 0.733 | S | S | * | * | trans | 177 | 164 | 140.7 | -148.9 | 106.8 | -153.1 | 0 | 0 | 110.4 | S124 | S124-E126 PolarHBondContact O-N 3.39Š| ||
| 127 | P | 46.6 | Very low | 50.6 | Low | 113 Ų | 113 | 142.4 Ų | 142.4 | 73% | 0.734 | 74% | 0.736 | S | S | * | * | -86 | 149.4 | -114.8 | 28 | -5.6 | 0 | 0 | 0 | 114.9 | |||||
| 128 | R | 50.3 | Low | 52 | Low | 236 Ų | 236 | 140.9 Ų | 140.9 | 89% | 0.891 | 73% | 0.73 | S | S | * | * | trans | -45.3 | 129.5 | 178.1 | -59.2 | 174.8 | -177.9 | -176.2 | -0.7 | 113.1 | K130 | R128-K130 PolarHBondContact O-N 2.63Š| ||
| 129 | P | 40.3 | Very low | 53.2 | Low | 101 Ų | 101 | 138.4 Ų | 138.4 | 66% | 0.656 | 72% | 0.719 | S | S | * | * | trans | -70 | 124.8 | 157.8 | 29.2 | -27.9 | 0 | 0 | 0 | 107.3 | R131 | P129-R131 PolarHBondContact O-N 3.25Š| ||
| 130 | K | 53 | Low | 54.6 | Low | 215 Ų | 215 | 135.6 Ų | 135.6 | 94% | 0.935 | 71% | 0.705 | S | S | * | * | trans | -57.9 | 85.9 | 167.2 | -74.7 | 172.5 | 175.5 | 173.8 | 0 | 108.5 | R128 S132 | R128-K130 PolarHBondContact O-N 2.63Å; K130-S132 PolarHBondContact O-N 3.28Å | ||
| 131 | R | 48.1 | Very low | 56.3 | Low | 224 Ų | 224 | 133 Ų | 133 | 85% | 0.845 | 70% | 0.7 | S | S | * | * | trans | -71 | 122.8 | 164.1 | -72.7 | -174.6 | 176.9 | 158.3 | 0.1 | 106.4 | P129 R133 | P129-R131 PolarHBondContact O-N 3.25Å; R131-R133 PolarHBondContact O-N 3.26Å | ||
| 132 | S | 55.1 | Low | 58.5 | Low | 110 Ų | 110 | 131.9 Ų | 131.9 | 77% | 0.769 | 69% | 0.687 | S | S | * | * | trans | -41.5 | 123.7 | 177.3 | 53 | 0 | 0 | 0 | 0 | 110.3 | K130 G134 | K130-S132 PolarHBondContact O-N 3.28Å; S132-G134 PolarHBondContact O-N 2.91Å | ||
| 133 | R | 55.7 | Low | 60.6 | Low | 208 Ų | 208 | 129.8 Ų | 129.8 | 79% | 0.785 | 67% | 0.669 | S | S | * | * | trans | -47.6 | 133.9 | 149.3 | -91.5 | 179.5 | 163.3 | 174.7 | -5.9 | 106.8 | R131 D135 | R131-R133 PolarHBondContact O-N 3.26Å; R133-D135 VanDerWaalsContact CB-OD1 3.28Å; R133-D135 WeakPolarHBondContact CB-OD1 3.4Å; R133-D135 PolarHBondContact O-N 3.46Å | ||
| 134 | G | 56.2 | Low | 62.8 | Low | 41 Ų | 41 | 127.7 Ų | 127.7 | 42% | 0.423 | 66% | 0.66 | S | S | . | * | trans | -63.5 | 86.3 | 159.8 | 0 | 0 | 0 | 0 | 0 | 107.2 | S132 S136 | S132-G134 PolarHBondContact O-N 2.91Å; G134-S136 PolarHBondContact O-N 3.42Å | ||
| 135 | D | 58.6 | Low | 65 | Low | 132 Ų | 132 | 130.5 Ų | 130.5 | 71% | 0.706 | 65% | 0.653 | S | S | * | * | trans | -78.2 | 45.2 | 174.7 | -67 | -37.7 | 0 | 0 | 0 | 109.5 | R133 P137 | R133-D135 VanDerWaalsContact CB-OD1 3.28Å; R133-D135 WeakPolarHBondContact CB-OD1 3.4Å; R133-D135 PolarHBondContact O-N 3.46Å; D135-P137 WeakPolarHBondContact O-CD 3.39Å | ||
| 136 | S | 68.3 | Low | 66.6 | Low | 41 Ų | 41 | 128.7 Ų | 128.7 | 29% | 0.287 | 64% | 0.642 | S | S | . | * | trans | -101.1 | 108.9 | 171.1 | -177.5 | 0 | 0 | 0 | 0 | 108 | G134 L138 E139 D140 | G134-S136 PolarHBondContact O-N 3.42Å; S136-L138 PolarHBondContact O-N 3.06Å; S136-E139 PolarHBondContact O-N 2.87Å; S136-D140 PolarHBondContact O-N 3.21Å | ||
| 137 | P | 77.8 | Confident | 68.7 | Low | 115 Ų | 115 | 124.8 Ų | 124.8 | 75% | 0.747 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -54.3 | -22.9 | 178.2 | -26.8 | 34.7 | 0 | 0 | 0 | 113.8 | D135 A141 | D135-P137 WeakPolarHBondContact O-CD 3.39Å; P137-A141 WeakPolarHBondContact O-CB 3.31Å; P137-A141 PolarHBondContact O-N 2.94Å |
| 138 | L | 80.3 | Confident | 70.5 | Confident | 119 Ų | 119 | 126.7 Ų | 126.7 | 62% | 0.623 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -74.8 | -42.6 | 177.8 | -178 | 62.4 | 0 | 0 | 0 | 112.4 | S136 A141 I142 | S136-L138 PolarHBondContact O-N 3.06Å; L138-A141 PolarHBondContact O-N 3.07Å; L138-I142 HydrophobicContact CD1-CD1 4.32Å; L138-I142 HydrophobicContact CG-CD1 4.03Å; L138-I142 VanDerWaalsContact O-CG1 3.27Å; L138-I142 WeakPolarHBondContact O-CG1 3.5Å; L138-I142 PolarHBondContact O-N 3.4Å |
| 139 | E | 76.3 | Confident | 71.7 | Confident | 106 Ų | 106 | 119 Ų | 119 | 50% | 0.495 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -67.3 | -43 | -178.1 | -67.4 | 177.5 | -179.3 | 0 | 0 | 110.6 | S136 A141 I142 I143 | S136-E139 PolarHBondContact O-N 2.87Å; E139-A141 VanDerWaalsContact C-N 3.29Å; E139-A141 PolarHBondContact O-N 3.29Å; E139-I142 PolarHBondContact O-N 3.43Å; E139-I143 VanDerWaalsContact O-CG1 3.3Å; E139-I143 WeakPolarHBondContact O-CG1 3.37Å; E139-I143 PolarHBondContact O-N 3.21Å |
| 140 | D | 79.3 | Confident | 73.5 | Confident | 84 Ų | 84 | 120.3 Ų | 120.3 | 45% | 0.449 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -61.3 | -36.6 | 174.3 | -90.5 | 1.7 | 0 | 0 | 0 | 112.6 | S136 K144 | S136-D140 PolarHBondContact O-N 3.21Å; D140-K144 VanDerWaalsContact O-CB 3.31Å; D140-K144 WeakPolarHBondContact O-CB 3.28Å; D140-K144 VanDerWaalsContact O-CG 3.28Å; D140-K144 WeakPolarHBondContact O-CG 3.3Å; D140-K144 PolarHBondContact O-N 3.42Å |
| 141 | A | 82.1 | Confident | 74.5 | Confident | 56 Ų | 56 | 116.4 Ų | 116.4 | 46% | 0.463 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -70.1 | -37.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | P137 L138 E139 R145 | P137-A141 WeakPolarHBondContact O-CB 3.31Å; P137-A141 PolarHBondContact O-N 2.94Å; L138-A141 PolarHBondContact O-N 3.07Å; E139-A141 VanDerWaalsContact C-N 3.29Å; E139-A141 PolarHBondContact O-N 3.29Å; A141-R145 WeakPolarHBondContact O-CB 3.49Å; A141-R145 PolarHBondContact O-N 3.06Å |
| 142 | I | 86.8 | Confident | 75.3 | Confident | 89 Ų | 89 | 108.2 Ų | 108.2 | 46% | 0.456 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -64.9 | -48.1 | 175.4 | -67.7 | 163 | 0 | 0 | 0 | 109.9 | L138 E139 K144 R145 L146 | L138-I142 HydrophobicContact CD1-CD1 4.32Å; L138-I142 HydrophobicContact CG-CD1 4.03Å; L138-I142 VanDerWaalsContact O-CG1 3.27Å; L138-I142 WeakPolarHBondContact O-CG1 3.5Å; L138-I142 PolarHBondContact O-N 3.4Å; E139-I142 PolarHBondContact O-N 3.43Å; I142-K144 PolarHBondContact O-N 3.45Å; I142-R145 PolarHBondContact O-N 3.29Å; I142-L146 HydrophobicContact CG2-CD1 4.08Å; I142-L146 WeakPolarHBondContact O-CG 3.39Å; I142-L146 PolarHBondContact O-N 3.02Å |
| 143 | I | 85.6 | Confident | 75.5 | Confident | 92 Ų | 92 | 110 Ų | 110 | 47% | 0.472 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -62.1 | -45.8 | 179.5 | -65.5 | 164.9 | 0 | 0 | 0 | 110.6 | E139 R145 L146 M147 | E139-I143 VanDerWaalsContact O-CG1 3.3Å; E139-I143 WeakPolarHBondContact O-CG1 3.37Å; E139-I143 PolarHBondContact O-N 3.21Å; I143-R145 VanDerWaalsContact C-N 3.31Å; I143-R145 PolarHBondContact O-N 3.24Å; I143-L146 PolarHBondContact O-N 3.37Å; I143-M147 HydrophobicContact CG2-SD 4.24Å; I143-M147 WeakPolarHBondContact O-CG 3.19Å; I143-M147 PolarHBondContact O-N 3.48Å |
| 144 | K | 84.7 | Confident | 75.6 | Confident | 146 Ų | 146 | 105.3 Ų | 105.3 | 64% | 0.635 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -61.7 | -36.8 | 177.1 | -79.6 | 175.8 | -179.1 | 172.2 | 0 | 113.1 | D140 I142 K148 | D140-K144 VanDerWaalsContact O-CB 3.31Å; D140-K144 WeakPolarHBondContact O-CB 3.28Å; D140-K144 VanDerWaalsContact O-CG 3.28Å; D140-K144 WeakPolarHBondContact O-CG 3.3Å; D140-K144 PolarHBondContact O-N 3.42Å; I142-K144 PolarHBondContact O-N 3.45Å; K144-K148 WeakPolarHBondContact O-CB 3.24Å; K144-K148 PolarHBondContact O-N 2.93Å; K144-K148 VanDerWaalsContact O-N 3.12Å |
| 145 | R | 86.3 | Confident | 75.7 | Confident | 176 Ų | 176 | 107.4 Ų | 107.4 | 66% | 0.664 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -65 | -47.6 | 176.5 | -176.7 | 178.3 | 180 | 178 | 2 | 111.2 | A141 I142 I143 M147 K148 D149 | A141-R145 WeakPolarHBondContact O-CB 3.49Å; A141-R145 PolarHBondContact O-N 3.06Å; I142-R145 PolarHBondContact O-N 3.29Å; I143-R145 VanDerWaalsContact C-N 3.31Å; I143-R145 PolarHBondContact O-N 3.24Å; R145-M147 VanDerWaalsContact C-N 3.33Å; R145-M147 PolarHBondContact O-N 2.98Å; R145-K148 PolarHBondContact O-N 3.35Å; R145-D149 IonicContact NE-OD2 3.96Å; R145-D149 VanDerWaalsContact O-CG 3.27Å; R145-D149 PolarHBondContact O-N 3.46Å |
| 146 | L | 87.4 | Confident | 75.2 | Confident | 114 Ų | 114 | 108.9 Ų | 108.9 | 60% | 0.597 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -61.3 | -41 | -180 | -68 | 170.8 | 0 | 0 | 0 | 112.2 | I142 I143 M150 | I142-L146 HydrophobicContact CG2-CD1 4.08Å; I142-L146 WeakPolarHBondContact O-CG 3.39Å; I142-L146 PolarHBondContact O-N 3.02Å; I143-L146 PolarHBondContact O-N 3.37Å; L146-M150 PolarHBondContact O-N 3.41Å |
| 147 | M | 84.8 | Confident | 74.2 | Confident | 103 Ų | 103 | 111.9 Ų | 111.9 | 51% | 0.507 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -65.3 | -41.1 | 176.3 | -68.2 | -176.9 | 71.9 | 0 | 0 | 112.2 | I143 R145 M150 E151 | I143-M147 HydrophobicContact CG2-SD 4.24Å; I143-M147 WeakPolarHBondContact O-CG 3.19Å; I143-M147 PolarHBondContact O-N 3.48Å; R145-M147 VanDerWaalsContact C-N 3.33Å; R145-M147 PolarHBondContact O-N 2.98Å; M147-M150 PolarHBondContact O-N 3.34Å; M147-E151 PolarHBondContact O-N 3.49Å |
| 148 | K | 84.6 | Confident | 72.7 | Confident | 152 Ų | 152 | 112.9 Ų | 112.9 | 66% | 0.661 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -66.4 | -38.6 | 179.3 | -173.3 | 177.2 | -179.6 | -179.2 | 0 | 112.7 | K144 R145 E151 A152 | K144-K148 WeakPolarHBondContact O-CB 3.24Å; K144-K148 PolarHBondContact O-N 2.93Å; K144-K148 VanDerWaalsContact O-N 3.12Å; R145-K148 PolarHBondContact O-N 3.35Å; K148-E151 PolarHBondContact O-N 3.28Å; K148-A152 PolarHBondContact O-N 3.25Å; K148-A152 VanDerWaalsContact O-N 3.16Å |
| 149 | D | 75.6 | Confident | 70.7 | Confident | 75 Ų | 75 | 112.9 Ų | 112.9 | 40% | 0.401 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -67.7 | -38.4 | 179.7 | -67.1 | -17.5 | 0 | 0 | 0 | 110.8 | R145 A152 E153 | R145-D149 IonicContact NE-OD2 3.96Å; R145-D149 VanDerWaalsContact O-CG 3.27Å; R145-D149 PolarHBondContact O-N 3.46Å; D149-A152 PolarHBondContact O-N 3.39Å; D149-E153 PolarHBondContact O-N 3.16Å; D149-E153 VanDerWaalsContact O-N 3.15Å |
| 150 | M | 77.6 | Confident | 68.6 | Low | 129 Ų | 129 | 110.6 Ų | 110.6 | 64% | 0.635 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -66.9 | -38.8 | 176.6 | -173.3 | 171.7 | 58.5 | 0 | 0 | 113.1 | L146 M147 E153 S154 | L146-M150 PolarHBondContact O-N 3.41Å; M147-M150 PolarHBondContact O-N 3.34Å; M150-E153 PolarHBondContact O-N 3.39Å; M150-S154 WeakPolarHBondContact O-CB 3.44Å; M150-S154 PolarHBondContact O-N 3.25Å |
| 151 | E | 72.9 | Confident | 66.6 | Low | 133 Ų | 133 | 113.2 Ų | 113.2 | 62% | 0.621 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -68.5 | -33.7 | 175.7 | -73.3 | 177.3 | -179.5 | 0 | 0 | 112.6 | M147 K148 S155 | M147-E151 PolarHBondContact O-N 3.49Å; K148-E151 PolarHBondContact O-N 3.28Å; E151-S155 PolarHBondContact O-N 3.01Å; E151-S155 PolarHBondContact O-OG 3.28Å |
| 152 | A | 65.8 | Low | 64.4 | Low | 52 Ų | 52 | 117.6 Ų | 117.6 | 43% | 0.43 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -73.6 | -25.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | K148 D149 | K148-A152 PolarHBondContact O-N 3.25Å; K148-A152 VanDerWaalsContact O-N 3.16Å; D149-A152 PolarHBondContact O-N 3.39Å |
| 153 | E | 58.3 | Low | 62.1 | Low | 148 Ų | 148 | 120.3 Ų | 120.3 | 69% | 0.692 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -84.1 | -34.6 | 172.7 | -70.7 | -173.9 | 171.2 | 0 | 0 | 112.1 | D149 M150 S155 K156 | D149-E153 PolarHBondContact O-N 3.16Å; D149-E153 VanDerWaalsContact O-N 3.15Å; M150-E153 PolarHBondContact O-N 3.39Å; E153-S155 PolarHBondContact O-N 3.2Å; E153-K156 PolarHBondContact O-N 3.36Å |
| 154 | S | 59 | Low | 60 | Low | 108 Ų | 108 | 124.1 Ų | 124.1 | 76% | 0.755 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -67.7 | -17.8 | 176.4 | -177.5 | 0 | 0 | 0 | 0 | 113.8 | M150 | M150-S154 WeakPolarHBondContact O-CB 3.44Å; M150-S154 PolarHBondContact O-N 3.25Å |
| 155 | S | 58.7 | Low | 57.6 | Low | 85 Ų | 85 | 124.1 Ų | 124.1 | 59% | 0.594 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.6 | 1.5 | -177.6 | 46.6 | 0 | 0 | 0 | 0 | 114.1 | E151 E153 S157 | E151-S155 PolarHBondContact O-N 3.01Å; E151-S155 PolarHBondContact O-OG 3.28Å; E153-S155 PolarHBondContact O-N 3.2Å; S155-S157 VanDerWaalsContact C-N 3.31Å; S155-S157 PolarHBondContact O-N 3.37Å |
| 156 | K | 47.4 | Very low | 55 | Low | 164 Ų | 164 | 122.5 Ų | 122.5 | 71% | 0.713 | 68% | 0.681 | S | S | * | * | trans | -80.2 | 82 | 169.5 | -75.7 | 175.8 | -175.2 | 167.8 | 0 | 110.2 | E153 V158 | E153-K156 PolarHBondContact O-N 3.36Å; K156-V158 PolarHBondContact O-N 3.38Å | ||
| 157 | S | 46.4 | Very low | 52.5 | Low | 103 Ų | 103 | 125 Ų | 125 | 72% | 0.72 | 69% | 0.689 | S | S | * | * | trans | -60.9 | 119.5 | 156.2 | 48.4 | 0 | 0 | 0 | 0 | 108.7 | S155 P159 | S155-S157 VanDerWaalsContact C-N 3.31Å; S155-S157 PolarHBondContact O-N 3.37Å; S157-P159 VanDerWaalsContact O-CD 3.32Å; S157-P159 WeakPolarHBondContact O-CD 3.27Å | ||
| 158 | V | 47.8 | Very low | 50 | Low | 137 Ų | 137 | 128.1 Ų | 128.1 | 83% | 0.83 | 70% | 0.702 | S | S | * | * | trans | -75.7 | 115.8 | 164.1 | 174.5 | 0 | 0 | 0 | 0 | 106.7 | K156 G160 | K156-V158 PolarHBondContact O-N 3.38Å; V158-G160 PolarHBondContact O-N 3.09Å | ||
| 159 | P | 36.5 | Very low | 47.4 | Very low | 119 Ų | 119 | 126.8 Ų | 126.8 | 77% | 0.773 | 71% | 0.707 | S | S | * | * | trans | -80.6 | 118.7 | 174.2 | -4 | 22.8 | 0 | 0 | 0 | 109.7 | S157 | S157-P159 VanDerWaalsContact O-CD 3.32Å; S157-P159 WeakPolarHBondContact O-CD 3.27Å | ||
| 160 | G | 34.2 | Very low | 45.3 | Very low | 57 Ų | 57 | 128.1 Ų | 128.1 | 59% | 0.588 | 72% | 0.718 | S | S | * | * | trans | 44.6 | 119.4 | 138 | 0 | 0 | 0 | 0 | 0 | 120 | V158 | V158-G160 PolarHBondContact O-N 3.09Š| ||
| 161 | T | 36.8 | Very low | 43.3 | Very low | 139 Ų | 139 | 131.6 Ų | 131.6 | 85% | 0.853 | 73% | 0.729 | S | S | * | * | 83.4 | 114.5 | 104.4 | 43.1 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 162 | V | 34.9 | Very low | 41.4 | Very low | 149 Ų | 149 | 133.1 Ų | 133.1 | 90% | 0.903 | 74% | 0.736 | S | S | * | * | -150.8 | 131.2 | 117.2 | -151.5 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 163 | D | 38.9 | Very low | 40 | Very low | 145 Ų | 145 | 135.5 Ų | 135.5 | 78% | 0.775 | 76% | 0.756 | S | S | * | * | trans | -44 | 145.2 | 159.7 | -97.7 | -46 | 0 | 0 | 0 | 113.9 | ||||
| 164 | L | 42.3 | Very low | 38.9 | Very low | 173 Ų | 173 | 133.4 Ų | 133.4 | 91% | 0.906 | 75% | 0.753 | S | S | * | * | trans | -157.8 | 108.8 | 130 | -142.5 | 71.9 | 0 | 0 | 0 | 113.1 | ||||
| 165 | E | 33.3 | Very low | 37.7 | Very low | 146 Ų | 146 | 136.1 Ų | 136.1 | 68% | 0.682 | 75% | 0.754 | S | S | * | * | trans | -31 | 159.1 | 152 | -124.2 | 178.8 | 154 | 0 | 0 | 118.9 | ||||
| 166 | H | 33 | Very low | 36.3 | Very low | 142 Ų | 142 | 138.7 Ų | 138.7 | 66% | 0.657 | 76% | 0.761 | S | S | * | * | trans | 72.9 | 137 | 160.1 | -67.3 | 95.7 | 0 | 0 | 0 | 117.5 | ||||
| 167 | Q | 33.4 | Very low | 36.1 | Very low | 166 Ų | 166 | 136.4 Ų | 136.4 | 78% | 0.776 | 77% | 0.766 | S | S | * | * | cis | -168.8 | 150 | 30.4 | -130.1 | 164.3 | 69 | 0 | 0 | 111.1 | ||||
| 168 | H | 32.4 | Very low | 35.4 | Very low | 168 Ų | 168 | 135.8 Ų | 135.8 | 78% | 0.778 | 77% | 0.767 | S | S | * | * | trans | -53.9 | 142.5 | 159.8 | -99.4 | -115.8 | 0 | 0 | 0 | 111.8 | ||||
| 169 | T | 30.3 | Very low | 34.6 | Very low | 125 Ų | 125 | 135.4 Ų | 135.4 | 77% | 0.767 | 77% | 0.765 | S | S | * | * | trans | -150.6 | 110.5 | 139.8 | -31.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 170 | V | 31.9 | Very low | 34.5 | Very low | 103 Ų | 103 | 135.4 Ų | 135.4 | 62% | 0.624 | 76% | 0.763 | S | S | * | * | trans | -63.2 | 136.9 | 159.1 | 169.6 | 0 | 0 | 0 | 0 | 108.7 | E172 | V170-E172 HydrophobicContact CG1-CG 4.32Š| ||
| 171 | K | 35.6 | Very low | 34.4 | Very low | 202 Ų | 202 | 141.2 Ų | 141.2 | 88% | 0.878 | 78% | 0.775 | S | S | * | * | trans | -128.7 | 97.4 | 152.7 | -79.3 | -169.1 | 176.8 | -179.2 | 0 | 109.3 | ||||
| 172 | E | 32.9 | Very low | 34.6 | Very low | 165 Ų | 165 | 142.1 Ų | 142.1 | 77% | 0.771 | 77% | 0.769 | S | S | * | * | trans | -61.9 | 138.6 | 147 | -75.5 | 176.9 | 130.9 | 0 | 0 | 109.2 | V170 | V170-E172 HydrophobicContact CG1-CG 4.32Š| ||
| 173 | A | 35.9 | Very low | 35.1 | Very low | 102 Ų | 102 | 140 Ų | 140 | 84% | 0.843 | 76% | 0.759 | S | S | * | * | trans | -136.8 | 100.5 | 148.6 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 174 | V | 34.8 | Very low | 34.9 | Very low | 104 Ų | 104 | 140.5 Ų | 140.5 | 63% | 0.63 | 76% | 0.756 | S | S | * | * | trans | -54 | 138.5 | 157.7 | 171.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 175 | Q | 35.1 | Very low | 34.3 | Very low | 165 Ų | 165 | 139.3 Ų | 139.3 | 77% | 0.771 | 75% | 0.748 | S | S | * | * | 169.8 | 117.9 | 103.7 | -147 | 147.4 | 15.4 | 0 | 0 | 112.9 | |||||
| 176 | D | 29.3 | Very low | 34.3 | Very low | 139 Ų | 139 | 138.8 Ų | 138.8 | 74% | 0.743 | 76% | 0.755 | S | S | * | * | trans | 26.4 | 129.7 | 136 | -59.2 | -32.2 | 0 | 0 | 0 | 121.4 | ||||
| 177 | S | 41.7 | Very low | 34.2 | Very low | 116 Ų | 116 | 139.6 Ų | 139.6 | 81% | 0.811 | 76% | 0.759 | S | S | * | * | -171.1 | 128.1 | 100.6 | 58.4 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 178 | A | 31.6 | Very low | 34 | Very low | 90 Ų | 90 | 141.6 Ų | 141.6 | 74% | 0.744 | 77% | 0.765 | S | S | * | * | trans | -70.9 | 162.8 | 165.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 179 | T | 32.8 | Very low | 33.8 | Very low | 128 Ų | 128 | 139.9 Ų | 139.9 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | trans | 162.1 | 101.7 | 138.2 | -57.2 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 180 | T | 34 | Very low | 33.8 | Very low | 120 Ų | 120 | 137.8 Ų | 137.8 | 74% | 0.736 | 76% | 0.763 | S | S | * | * | 54.8 | 123.3 | 96 | -44.3 | 0 | 0 | 0 | 0 | 114 | |||||
| 181 | E | 32.3 | Very low | 33.8 | Very low | 179 Ų | 179 | 141.2 Ų | 141.2 | 84% | 0.836 | 77% | 0.772 | S | S | * | * | trans | 155.4 | 102 | 133.1 | -68.6 | -114.4 | 144.1 | 0 | 0 | 110.3 | ||||
| 182 | E | 39.8 | Very low | 33.7 | Very low | 157 Ų | 157 | 139.9 Ų | 139.9 | 73% | 0.734 | 77% | 0.766 | S | S | * | * | trans | -73.1 | 157.7 | 141.5 | -131.3 | -155.5 | 123 | 0 | 0 | 107 | ||||
| 183 | P | 44.8 | Very low | 33.6 | Very low | 105 Ų | 105 | 138.2 Ų | 138.2 | 68% | 0.682 | 76% | 0.762 | S | S | * | * | -152.7 | 159.2 | 58.7 | 35.2 | -11.7 | 0 | 0 | 0 | 118.4 | |||||
| 184 | Q | 35.1 | Very low | 33.4 | Very low | 155 Ų | 155 | 140 Ų | 140 | 72% | 0.724 | 76% | 0.763 | S | S | * | * | trans | 55.6 | 140.8 | 135.6 | -65.1 | -171.5 | -8.5 | 0 | 0 | 126.1 | ||||
| 185 | M | 30.8 | Very low | 33.7 | Very low | 149 Ų | 149 | 141.5 Ų | 141.5 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | trans | 66.6 | 117.8 | 139.6 | -96.9 | -176.6 | 155.1 | 0 | 0 | 120.8 | ||||
| 186 | T | 32 | Very low | 33.9 | Very low | 135 Ų | 135 | 138.8 Ų | 138.8 | 83% | 0.828 | 77% | 0.769 | S | S | * | * | -160.4 | 132 | 115.7 | 1 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 187 | Q | 32 | Very low | 34 | Very low | 159 Ų | 159 | 141 Ų | 141 | 74% | 0.743 | 78% | 0.775 | S | S | * | * | trans | -71.5 | 147.2 | 164.5 | -67.4 | 166.2 | -44.8 | 0 | 0 | 110.2 | ||||
| 188 | F | 29.1 | Very low | 33.9 | Very low | 207 Ų | 207 | 145 Ų | 145 | 91% | 0.908 | 78% | 0.778 | S | S | * | * | trans | -141.7 | 126.2 | 144.5 | -94.9 | -78.3 | 0 | 0 | 0 | 110.2 | ||||
| 189 | T | 28.3 | Very low | 34.5 | Very low | 132 Ų | 132 | 146.1 Ų | 146.1 | 81% | 0.81 | 78% | 0.778 | S | S | * | * | trans | -92 | 163.2 | 176.2 | 0.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 190 | A | 31 | Very low | 34.4 | Very low | 82 Ų | 82 | 144 Ų | 144 | 68% | 0.678 | 78% | 0.782 | S | S | * | * | trans | 97.2 | 109.4 | 146 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 191 | E | 29.9 | Very low | 34.6 | Very low | 175 Ų | 175 | 145 Ų | 145 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | 55.5 | 124.7 | 122.1 | -59.9 | -172.9 | 168.2 | 0 | 0 | 120.8 | |||||
| 192 | K | 34.3 | Very low | 34.7 | Very low | 173 Ų | 173 | 145 Ų | 145 | 75% | 0.752 | 79% | 0.785 | S | S | * | * | 174.2 | 127.8 | 94.5 | -117.3 | 169.5 | 179.7 | 169 | 0 | 112.9 | |||||
| 193 | N | 31.3 | Very low | 34.5 | Very low | 130 Ų | 130 | 145.8 Ų | 145.8 | 70% | 0.695 | 79% | 0.786 | S | S | * | * | trans | 27.8 | 125 | 135.2 | -52.8 | -21.2 | 0 | 0 | 0 | 119.7 | ||||
| 194 | T | 32.3 | Very low | 34 | Very low | 141 Ų | 141 | 148.6 Ų | 148.6 | 87% | 0.865 | 79% | 0.79 | S | S | * | * | 166.8 | 125.5 | 100.3 | 33.7 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 195 | T | 39.9 | Very low | 33.8 | Very low | 134 Ų | 134 | 149.8 Ų | 149.8 | 82% | 0.822 | 80% | 0.801 | S | S | * | * | trans | -77.4 | 155.2 | 153.3 | 30.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 196 | P | 40.1 | Very low | 33.9 | Very low | 108 Ų | 108 | 149.1 Ų | 149.1 | 70% | 0.701 | 80% | 0.799 | S | S | * | * | -143.7 | 156.5 | 111.9 | 26 | -5.1 | 0 | 0 | 0 | 116.2 | |||||
| 197 | E | 30.9 | Very low | 33.9 | Very low | 187 Ų | 187 | 153.8 Ų | 153.8 | 87% | 0.874 | 80% | 0.801 | S | S | * | * | trans | 76.2 | 109.6 | 141.2 | -70.8 | 172.4 | -173.6 | 0 | 0 | 122.6 | ||||
| 198 | K | 39.8 | Very low | 33.9 | Very low | 199 Ų | 199 | 151.7 Ų | 151.7 | 87% | 0.865 | 80% | 0.801 | S | S | * | * | trans | -84.1 | 177.5 | 144.4 | -67.7 | -179.4 | 176 | 176.1 | 0 | 108.5 | ||||
| 199 | P | 42.8 | Very low | 33.9 | Very low | 114 Ų | 114 | 152 Ų | 152 | 74% | 0.74 | 80% | 0.796 | S | S | * | * | cis | -137.4 | 149.1 | 2.8 | 32.5 | -11.1 | 0 | 0 | 0 | 115.8 | ||||
| 200 | G | 31.8 | Very low | 34.1 | Very low | 84 Ų | 84 | 152.3 Ų | 152.3 | 87% | 0.866 | 80% | 0.799 | S | S | * | * | trans | -107.1 | 108.8 | 165.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 201 | I | 38.7 | Very low | 34.2 | Very low | 141 Ų | 141 | 153.8 Ų | 153.8 | 72% | 0.723 | 80% | 0.795 | S | S | * | * | trans | -79.5 | 125.2 | 172.6 | -67.2 | 164.1 | 0 | 0 | 0 | 108.4 | K203 | I201-K203 HydrophobicContact CG2-CG 4.36Š| ||
| 202 | L | 33.1 | Very low | 34.2 | Very low | 177 Ų | 177 | 153.5 Ų | 153.5 | 93% | 0.927 | 80% | 0.799 | S | S | * | * | trans | -128.8 | 125.2 | 156.9 | -125.9 | 110.5 | 0 | 0 | 0 | 110.5 | ||||
| 203 | K | 36.4 | Very low | 34 | Very low | 175 Ų | 175 | 151.3 Ų | 151.3 | 76% | 0.761 | 80% | 0.804 | S | S | * | * | trans | -81.8 | 138.2 | -175.8 | -69.2 | 174.8 | 175 | 176.8 | 0 | 110.9 | I201 | I201-K203 HydrophobicContact CG2-CG 4.36Š| ||
| 204 | Q | 33.2 | Very low | 34 | Very low | 163 Ų | 163 | 149.7 Ų | 149.7 | 76% | 0.762 | 81% | 0.809 | S | S | * | * | trans | 44.1 | 123.1 | 137.7 | -61 | -173 | 3.8 | 0 | 0 | 120.5 | ||||
| 205 | L | 31.8 | Very low | 33.9 | Very low | 180 Ų | 180 | 151.8 Ų | 151.8 | 94% | 0.942 | 81% | 0.809 | S | S | * | * | trans | -139.9 | 105.2 | 132.7 | -104.2 | 150.4 | 0 | 0 | 0 | 108.7 | ||||
| 206 | I | 33.4 | Very low | 33.3 | Very low | 135 Ų | 135 | 149.9 Ų | 149.9 | 69% | 0.692 | 80% | 0.801 | S | S | * | * | trans | -90.1 | 134.1 | 167.4 | -67 | 169.8 | 0 | 0 | 0 | 107.3 | ||||
| 207 | R | 31 | Very low | 32.9 | Very low | 234 Ų | 234 | 151.5 Ų | 151.5 | 88% | 0.883 | 81% | 0.809 | S | S | * | * | trans | -172.8 | 160.8 | 146 | -109.3 | 178.6 | -150.8 | -154.2 | 9.5 | 110.9 | ||||
| 208 | P | 33.1 | Very low | 32.8 | Very low | 115 Ų | 115 | 153.7 Ų | 153.7 | 75% | 0.747 | 81% | 0.809 | S | S | * | * | -113 | 163.3 | -98.4 | 36.5 | -25.2 | 0 | 0 | 0 | 115.1 | |||||
| 209 | R | 29.2 | Very low | 32.3 | Very low | 212 Ų | 212 | 146.4 Ų | 146.4 | 80% | 0.8 | 79% | 0.791 | S | S | * | * | trans | -41.1 | 127.3 | 164.8 | -164.7 | -179.6 | -168.2 | 161.2 | 7.1 | 114.1 | N211 | R209-N211 PolarHBondContact NE-OD1 3.37Å; R209-N211 VanDerWaalsContact NE-OD1 3.09Å | ||
| 210 | T | 32.8 | Very low | 31.7 | Very low | 140 Ų | 140 | 146 Ų | 146 | 86% | 0.859 | 79% | 0.786 | S | S | * | * | trans | -121.8 | 121.7 | 143.1 | 48.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 211 | N | 32 | Very low | 31.9 | Very low | 112 Ų | 112 | 148.3 Ų | 148.3 | 60% | 0.599 | 77% | 0.773 | S | S | * | * | trans | -68.5 | 139.5 | 177.5 | -61.2 | -43.5 | 0 | 0 | 0 | 109.2 | R209 | R209-N211 PolarHBondContact NE-OD1 3.37Å; R209-N211 VanDerWaalsContact NE-OD1 3.09Å | ||
| 212 | N | 30.3 | Very low | 31.7 | Very low | 170 Ų | 170 | 149.3 Ų | 149.3 | 91% | 0.909 | 77% | 0.769 | S | S | * | * | trans | -141 | 104.5 | 139.4 | -93.1 | -24.8 | 0 | 0 | 0 | 108.3 | ||||
| 213 | C | 30.7 | Very low | 31.8 | Very low | 126 Ų | 126 | 145.2 Ų | 145.2 | 85% | 0.851 | 75% | 0.747 | S | S | * | * | trans | -77.8 | 111.9 | 172.5 | -176.2 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 214 | A | 29.9 | Very low | 31.7 | Very low | 97 Ų | 97 | 141 Ų | 141 | 80% | 0.802 | 74% | 0.739 | S | S | * | * | trans | -123.1 | 104.8 | 163.6 | 0 | 0 | 0 | 0 | 0 | 107.7 | S216 | A214-S216 PolarHBondContact O-N 3.02Š| ||
| 215 | Q | 30.4 | Very low | 31.9 | Very low | 185 Ų | 185 | 136.8 Ų | 136.8 | 86% | 0.864 | 72% | 0.724 | S | S | * | * | trans | -17.1 | 107.3 | 170.9 | -65.2 | 165.7 | -13.9 | 0 | 0 | 115.8 | ||||
| 216 | S | 28.1 | Very low | 32 | Very low | 93 Ų | 93 | 134.8 Ų | 134.8 | 65% | 0.65 | 72% | 0.722 | S | S | * | * | trans | -85.3 | 112.6 | 156.5 | 61.1 | 0 | 0 | 0 | 0 | 108.7 | A214 W218 | A214-S216 PolarHBondContact O-N 3.02Å; S216-W218 VanDerWaalsContact O-CD1 3.28Å; S216-W218 PolarHBondContact O-N 2.96Å | ||
| 217 | T | 32.3 | Very low | 32.1 | Very low | 142 Ų | 142 | 132 Ų | 132 | 87% | 0.871 | 72% | 0.72 | S | S | * | * | trans | -61.4 | 126.5 | 170.7 | 28.2 | 0 | 0 | 0 | 0 | 110.3 | G219 | T217-G219 PolarHBondContact O-N 2.93Š| ||
| 218 | W | 28.7 | Very low | 32.2 | Very low | 233 Ų | 233 | 123.8 Ų | 123.8 | 88% | 0.883 | 71% | 0.707 | S | S | * | * | trans | -79.2 | 102.4 | -177.8 | -69.9 | 71.4 | 0 | 0 | 0 | 110.1 | S216 T220 | S216-W218 VanDerWaalsContact O-CD1 3.28Å; S216-W218 PolarHBondContact O-N 2.96Å; W218-T220 PolarHBondContact O-N 2.81Å | ||
| 219 | G | 27.7 | Very low | 32.2 | Very low | 47 Ų | 47 | 129.9 Ų | 129.9 | 49% | 0.485 | 72% | 0.716 | S | S | . | * | trans | -79.4 | 111 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | T217 R234 | T217-G219 PolarHBondContact O-N 2.93Å; G219-R234 PolarHBondContact O-NH2 3.35Å | ||
| 220 | T | 31 | Very low | 32.6 | Very low | 104 Ų | 104 | 124.8 Ų | 124.8 | 64% | 0.638 | 70% | 0.701 | S | S | * | * | trans | -77.4 | 119.1 | 169 | -56.7 | 0 | 0 | 0 | 0 | 108.6 | W218 Y222 | W218-T220 PolarHBondContact O-N 2.81Å; T220-Y222 HydrophobicContact CG2-CD2 4.14Å; T220-Y222 HydrophobicContact CG2-CE1 4.43Å; T220-Y222 HydrophobicContact CG2-CE2 3.51Å | ||
| 221 | F | 36.9 | Very low | 32.6 | Very low | 133 Ų | 133 | 127.8 Ų | 127.8 | 58% | 0.583 | 70% | 0.702 | S | S | * | * | trans | -87.6 | 123.5 | 177.3 | -80.1 | -92.6 | 0 | 0 | 0 | 110.1 | ||||
| 222 | Y | 33.4 | Very low | 33.3 | Very low | 163 Ų | 163 | 128.3 Ų | 128.3 | 64% | 0.639 | 70% | 0.695 | S | S | * | * | trans | -111.1 | 114.9 | 170.8 | -68.7 | -81.7 | 0 | 0 | 0 | 109.6 | T220 | T220-Y222 HydrophobicContact CG2-CD2 4.14Å; T220-Y222 HydrophobicContact CG2-CE1 4.43Å; T220-Y222 HydrophobicContact CG2-CE2 3.51Å | ||
| 223 | L | 36.3 | Very low | 33.5 | Very low | 90 Ų | 90 | 129.1 Ų | 129.1 | 47% | 0.471 | 69% | 0.694 | S | S | . | * | trans | -85.2 | 133.4 | 162.2 | -86 | 160.4 | 0 | 0 | 0 | 108.9 | F15 W232 | F15-L223 HydrophobicContact CB-CD1 4.32Å; F15-L223 HydrophobicContact CB-CD2 4.17Å; F15-L223 WeakPolarHBondContact O-CD2 3.43Å; L223-W232 HydrophobicContact CD1-CZ2 4.36Å | ||
| 224 | C | 33 | Very low | 33.8 | Very low | 86 Ų | 86 | 132 Ų | 132 | 58% | 0.581 | 69% | 0.687 | S | S | * | * | trans | -93.2 | 101.6 | -178.4 | -151.2 | 0 | 0 | 0 | 0 | 109.5 | R4 | R4-C224 VanDerWaalsContact NH2-CB 3.34Å; R4-C224 PolarHBondContact NH2-SG 3.43Å | ||
| 225 | T | 37.6 | Very low | 34.2 | Very low | 75 Ų | 75 | 133.6 Ų | 133.6 | 46% | 0.46 | 69% | 0.687 | S | S | . | * | trans | -92.2 | 144.2 | 152 | 37.5 | 0 | 0 | 0 | 0 | 108.3 | A227 | T225-A227 WeakPolarHBondContact CB-O 3.28Å; T225-A227 PolarHBondContact O-N 3.26Å; T225-A227 PolarHBondContact OG1-O 3.38Å | ||
| 226 | P | 33.9 | Very low | 34.4 | Very low | 138 Ų | 138 | 129.1 Ų | 129.1 | 90% | 0.896 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -65.3 | -2.6 | 173.9 | 25 | -31.5 | 0 | 0 | 0 | 113.3 | ||
| 227 | A | 35.2 | Very low | 34.9 | Very low | 78 Ų | 78 | 135.3 Ų | 135.3 | 65% | 0.645 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -133.3 | 121.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | T225 | T225-A227 WeakPolarHBondContact CB-O 3.28Å; T225-A227 PolarHBondContact O-N 3.26Å; T225-A227 PolarHBondContact OG1-O 3.38Å |
| 228 | G | 33.2 | Very low | 34.9 | Very low | 60 Ų | 60 | 135.3 Ų | 135.3 | 62% | 0.619 | 68% | 0.68 | S | S | * | * | trans | 84 | 120 | 159.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | E230 | G228-E230 PolarHBondContact O-N 2.75Š| ||
| 229 | R | 32.9 | Very low | 35.3 | Very low | 244 Ų | 244 | 133 Ų | 133 | 92% | 0.921 | 68% | 0.679 | S | S | * | * | trans | -68.9 | 102.6 | 165.6 | -77.6 | -179.5 | -110.9 | -146 | -4.4 | 109.3 | ||||
| 230 | E | 39.1 | Very low | 35.5 | Very low | 104 Ų | 104 | 134.8 Ų | 134.8 | 49% | 0.486 | 69% | 0.69 | S | S | . | * | trans | -95.3 | 121.5 | 168 | -77.6 | 174.5 | -175.3 | 0 | 0 | 109.8 | K88 G228 W232 | K88-E230 IonicContact NZ-OE1 2.82Å; K88-E230 PolarHBondContact NZ-OE1 2.93Å; K88-E230 IonicContact NZ-OE2 2.85Å; K88-E230 PolarHBondContact NZ-OE2 3.19Å; G228-E230 PolarHBondContact O-N 2.75Å; E230-W232 VanDerWaalsContact O-CD1 3.32Å | ||
| 231 | K | 32.8 | Very low | 35.7 | Very low | 204 Ų | 204 | 144.7 Ų | 144.7 | 89% | 0.887 | 72% | 0.717 | S | S | * | * | trans | -81.8 | 111.9 | 179.8 | -164.5 | 178.1 | -173 | 179.7 | 0 | 108.2 | Q233 | K231-Q233 PolarHBondContact O-N 3.42Š| ||
| 232 | W | 45.9 | Very low | 35.6 | Very low | 122 Ų | 122 | 145.3 Ų | 145.3 | 46% | 0.462 | 72% | 0.724 | S | S | . | * | trans | -81.5 | 114 | 178.8 | -66.3 | 80.8 | 0 | 0 | 0 | 110.4 | H85 L223 E230 | H85-W232 AromaticContact CD2-CH2 3.93Å; H85-W232 AromaticContact CD2-CZ3 3.43Å; H85-W232 VanDerWaalsContact CD2-CZ3 3.43Å; H85-W232 WeakPolarHBondContact CD2-CZ3 3.41Å; H85-W232 AromaticContact NE2-CH2 3.82Å; H85-W232 AromaticContact NE2-CZ3 3.53Å; L223-W232 HydrophobicContact CD1-CZ2 4.36Å; E230-W232 VanDerWaalsContact O-CD1 3.32Å | ||
| 233 | Q | 34.1 | Very low | 35.8 | Very low | 188 Ų | 188 | 144.3 Ų | 144.3 | 88% | 0.879 | 73% | 0.729 | S | S | * | * | trans | -82.4 | 120.7 | 164.9 | -80.8 | -178.8 | -48.1 | 0 | 0 | 109.1 | K231 | K231-Q233 PolarHBondContact O-N 3.42Š| ||
| 234 | R | 37.1 | Very low | 35.7 | Very low | 185 Ų | 185 | 147.3 Ų | 147.3 | 70% | 0.698 | 74% | 0.743 | S | S | * | * | trans | -72.2 | 126 | 173.2 | -81.5 | -178.7 | -157.8 | -174.7 | 7.2 | 110.3 | G219 | G219-R234 PolarHBondContact O-NH2 3.35Š| ||
| 235 | T | 39.2 | Very low | 35.9 | Very low | 132 Ų | 132 | 150.9 Ų | 150.9 | 81% | 0.81 | 75% | 0.752 | S | S | * | * | trans | -138.1 | 77.4 | 151.7 | 44.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 236 | C | 34.7 | Very low | 35.8 | Very low | 91 Ų | 91 | 155.7 Ų | 155.7 | 62% | 0.615 | 77% | 0.771 | S | S | * | * | trans | -154.4 | 120.5 | 158.8 | -83.3 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 237 | Y | 37.5 | Very low | 35.9 | Very low | 223 Ų | 223 | 156.9 Ų | 156.9 | 88% | 0.875 | 76% | 0.762 | S | S | * | * | trans | -93.9 | 153.2 | -179.3 | -101 | -89.5 | 0 | 0 | 0 | 112.5 | ||||
| 238 | D | 32.6 | Very low | 36 | Very low | 142 Ų | 142 | 162.5 Ų | 162.5 | 76% | 0.759 | 77% | 0.771 | S | S | * | * | trans | 28.5 | 125.9 | 157.6 | -71.9 | -27.7 | 0 | 0 | 0 | 122.6 | ||||
| 239 | E | 36.5 | Very low | 36.2 | Very low | 183 Ų | 183 | 170.4 Ų | 170.4 | 86% | 0.855 | 78% | 0.782 | S | S | * | * | trans | -129.1 | 107.5 | 136.6 | -85.5 | -174.9 | 164.5 | 0 | 0 | 108.8 | ||||
| 240 | A | 33.4 | Very low | 36.5 | Very low | 85 Ų | 85 | 164.3 Ų | 164.3 | 70% | 0.702 | 77% | 0.771 | S | S | * | * | trans | -77.3 | 123.6 | 153.5 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 241 | Y | 34.6 | Very low | 36.2 | Very low | 312 Ų | 312 | 169.7 Ų | 169.7 | 100% | 1.224 | 80% | 0.797 | S | S | * | * | trans | 175 | 0 | 143.8 | -92.5 | -68.2 | 0 | 0 | 0 | 108.3 |
Retrieved 241 of 241 residues in 551.8 ms
(Link to these results)