| 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 | 37.6 | Very low | 59.2 | Low | 228 Ų | 228 | 98.6 Ų | 98.6 | 100% | 1.123 | 57% | 0.568 | S | S | * | * | 0 | 113.6 | 0 | -174.8 | 176 | -174.3 | 0 | 0 | 107 | V3 | M1-V3 PolarHBondContact O-N 3.26Å; M1-V3 VanDerWaalsContact O-N 3.09Å | |||
| 2 | I | 47.8 | Very low | 59.8 | Low | 168 Ų | 168 | 99.3 Ų | 99.3 | 86% | 0.862 | 58% | 0.575 | S | S | * | * | trans | -68.5 | 108.5 | 170.7 | -64.1 | 167.3 | 0 | 0 | 0 | 105 | G4 | I2-G4 PolarHBondContact O-N 3.46Š| ||
| 3 | V | 55 | Low | 60.2 | Low | 129 Ų | 129 | 98.2 Ų | 98.2 | 78% | 0.782 | 57% | 0.566 | S | S | * | * | trans | -67.9 | 106 | 172.1 | -179.3 | 0 | 0 | 0 | 0 | 105.3 | M1 | M1-V3 PolarHBondContact O-N 3.26Å; M1-V3 VanDerWaalsContact O-N 3.09Å | ||
| 4 | G | 59.8 | Low | 60.9 | Low | 44 Ų | 44 | 98.8 Ų | 98.8 | 45% | 0.454 | 59% | 0.588 | S | S | . | * | P | Polyproline II helix | trans | -56.7 | 150.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | I2 | I2-G4 PolarHBondContact O-N 3.46Š|
| 5 | P | 63.2 | Low | 61.7 | Low | 76 Ų | 76 | 106.5 Ų | 106.5 | 49% | 0.494 | 60% | 0.603 | S | S | . | * | P | Polyproline II helix | trans | -57.2 | 134.8 | 175 | 25.6 | -32.8 | 0 | 0 | 0 | 108.5 | I33 | P5-I33 HydrophobicContact CG-CG1 4.28Š|
| 6 | P | 65.9 | Low | 62.1 | Low | 75 Ų | 75 | 103 Ų | 103 | 49% | 0.487 | 60% | 0.598 | S | S | . | * | P | Polyproline II helix | trans | -59.5 | 146.7 | 179.5 | 27.1 | -35 | 0 | 0 | 0 | 109.7 | M8 Y32 | P6-M8 PolarHBondContact O-N 2.75Å; P6-Y32 HydrophobicContact CG-CD1 4Å; P6-Y32 HydrophobicContact CG-CE1 3.76Å; P6-Y32 WeakPolarHBondContact O-CD1 3.38Å |
| 7 | S | 64.2 | Low | 63 | Low | 68 Ų | 68 | 102.9 Ų | 102.9 | 48% | 0.476 | 60% | 0.595 | S | S | . | * | S | Bend | trans | -64.5 | -33 | -178.9 | 53.2 | 0 | 0 | 0 | 0 | 112.2 | L34 | S7-L34 WeakPolarHBondContact O-CG 3.31Š|
| 8 | M | 61.4 | Low | 63.5 | Low | 90 Ų | 90 | 105 Ų | 105 | 44% | 0.443 | 60% | 0.598 | S | S | . | * | S | Bend | trans | -141.7 | 145.9 | 173 | -70.4 | -174.6 | -72 | 0 | 0 | 109.1 | P6 P20 L34 | P6-M8 PolarHBondContact O-N 2.75Å; M8-P20 HydrophobicContact SD-CB 4.35Å; M8-L34 HydrophobicContact CE-CD1 4.41Å; M8-L34 HydrophobicContact CG-CD1 3.26Å; M8-L34 HydrophobicContact CG-CG 4.25Å; M8-L34 HydrophobicContact SD-CD1 3.51Å; M8-L34 VanDerWaalsContact SD-CD1 3.51Å |
| 9 | G | 64.1 | Low | 63.8 | Low | 7 Ų | 7 | 105.7 Ų | 105.7 | 7% | 0.072 | 59% | 0.594 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -79.6 | 165.7 | 165.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | P20 V21 Y32 | G9-P20 WeakPolarHBondContact O-CA 3.43Å; G9-V21 PolarHBondContact N-O 2.94Å; G9-V21 PolarHBondContact O-N 2.97Å; G9-Y32 WeakPolarHBondContact CA-OH 3.38Å |
| 10 | T | 66.1 | Low | 64 | Low | 85 Ų | 85 | 104.6 Ų | 104.6 | 52% | 0.521 | 59% | 0.591 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -122.3 | 130.5 | 164.4 | 50.7 | 0 | 0 | 0 | 0 | 108.6 | Q18 K19 | T10-Q18 HydrophobicContact CG2-CB 4.25Å; T10-Q18 PolarHBondContact OG1-OE1 3.39Å; T10-K19 WeakPolarHBondContact CA-O 3.48Å |
| 11 | E | 65.9 | Low | 64.1 | Low | 115 Ų | 115 | 100.4 Ų | 100.4 | 54% | 0.537 | 57% | 0.568 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -106.7 | 136.8 | 166.7 | -78.2 | -175.7 | 144.1 | 0 | 0 | 108.5 | D13 K19 V21 | E11-D13 PolarHBondContact O-N 3.21Å; E11-K19 PolarHBondContact N-O 3.45Å; E11-K19 PolarHBondContact O-N 3.48Å; E11-V21 HydrophobicContact CB-CG2 3.71Å; E11-V21 HydrophobicContact CG-CB 4.45Å; E11-V21 HydrophobicContact CG-CG2 3.62Å; E11-V21 WeakPolarHBondContact OE2-CG2 3.15Å |
| 12 | T | 66.9 | Low | 65.5 | Low | 106 Ų | 106 | 91.9 Ų | 91.9 | 65% | 0.65 | 53% | 0.533 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 113.4 | 175.1 | -45.9 | 0 | 0 | 0 | 0 | 108.4 | ||
| 13 | D | 64.5 | Low | 66.4 | Low | 86 Ų | 86 | 86 Ų | 86 | 46% | 0.46 | 50% | 0.503 | S | S | . | . | trans | -66.1 | 162.5 | 171.8 | -169.9 | 14.4 | 0 | 0 | 0 | 110.1 | E11 R15 G16 N17 | E11-D13 PolarHBondContact O-N 3.21Å; D13-R15 PolarHBondContact O-N 3.1Å; D13-G16 PolarHBondContact O-N 3.3Å; D13-N17 PolarHBondContact N-O 3.49Å | ||
| 14 | A | 70.3 | Confident | 67 | Low | 106 Ų | 106 | 81.3 Ų | 81.3 | 88% | 0.876 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -17.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 15 | R | 72.2 | Confident | 67.5 | Low | 214 Ų | 214 | 81.8 Ų | 81.8 | 81% | 0.808 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | 4 | 175.6 | -71.4 | -179.8 | 156.1 | -165.9 | -6.2 | 114.6 | D13 N17 | D13-R15 PolarHBondContact O-N 3.1Å; R15-N17 VanDerWaalsContact C-N 3.28Å; R15-N17 PolarHBondContact O-N 3.3Å |
| 16 | G | 69.6 | Low | 67.6 | Low | 51 Ų | 51 | 86 Ų | 86 | 53% | 0.526 | 47% | 0.474 | S | S | . | . | S | Bend | trans | 81.6 | 0.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | D13 | D13-G16 PolarHBondContact O-N 3.3Š|
| 17 | N | 76.7 | Confident | 67.8 | Low | 101 Ų | 101 | 89.6 Ų | 89.6 | 54% | 0.54 | 48% | 0.477 | S | S | . | . | trans | -77.8 | 135.4 | 179.1 | -64.4 | -46.3 | 0 | 0 | 0 | 110.5 | D13 R15 K19 | D13-N17 PolarHBondContact N-O 3.49Å; R15-N17 VanDerWaalsContact C-N 3.28Å; R15-N17 PolarHBondContact O-N 3.3Å; N17-K19 PolarHBondContact O-N 2.99Å | ||
| 18 | Q | 71.2 | Confident | 68 | Low | 141 Ų | 141 | 91.9 Ų | 91.9 | 66% | 0.659 | 48% | 0.484 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 114.2 | 172.1 | -66.2 | -172.2 | 61.8 | 0 | 0 | 109.5 | T10 | T10-Q18 HydrophobicContact CG2-CB 4.25Å; T10-Q18 PolarHBondContact OG1-OE1 3.39Å |
| 19 | K | 70.2 | Confident | 68.6 | Low | 119 Ų | 119 | 95.6 Ų | 95.6 | 52% | 0.517 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 126.2 | 172.4 | 179.6 | 169.4 | 173.5 | -75.5 | 0 | 108.9 | T10 E11 N17 V21 | T10-K19 WeakPolarHBondContact CA-O 3.48Å; E11-K19 PolarHBondContact N-O 3.45Å; E11-K19 PolarHBondContact O-N 3.48Å; N17-K19 PolarHBondContact O-N 2.99Å; K19-V21 PolarHBondContact O-N 3.42Å |
| 20 | P | 68.4 | Low | 68.8 | Low | 82 Ų | 82 | 97.8 Ų | 97.8 | 53% | 0.532 | 52% | 0.519 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 133.1 | 174.2 | 27 | -33.2 | 0 | 0 | 0 | 109.8 | M8 G9 | M8-P20 HydrophobicContact SD-CB 4.35Å; G9-P20 WeakPolarHBondContact O-CA 3.43Å |
| 21 | V | 65 | Low | 69 | Low | 18 Ų | 18 | 97.5 Ų | 97.5 | 11% | 0.109 | 51% | 0.512 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 107.6 | 178.3 | 179.1 | 0 | 0 | 0 | 0 | 107.9 | G9 E11 K19 I23 | G9-V21 PolarHBondContact N-O 2.94Å; G9-V21 PolarHBondContact O-N 2.97Å; E11-V21 HydrophobicContact CB-CG2 3.71Å; E11-V21 HydrophobicContact CG-CB 4.45Å; E11-V21 HydrophobicContact CG-CG2 3.62Å; E11-V21 WeakPolarHBondContact OE2-CG2 3.15Å; K19-V21 PolarHBondContact O-N 3.42Å; V21-I23 VanDerWaalsContact C-N 3.33Å; V21-I23 WeakPolarHBondContact CG1-O 3.3Å |
| 22 | A | 67.5 | Low | 69.6 | Low | 48 Ų | 48 | 93.5 Ų | 93.5 | 40% | 0.397 | 49% | 0.492 | S | S | . | . | trans | -81.1 | -11.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | E35 | A22-E35 WeakPolarHBondContact O-CB 3.31Š| ||
| 23 | I | 66.9 | Low | 70.1 | Confident | 44 Ų | 44 | 92.6 Ų | 92.6 | 23% | 0.226 | 48% | 0.483 | C | S | . | . | S | Bend | trans | -125.9 | 126.6 | -175.2 | -56.2 | 179.1 | 0 | 0 | 0 | 109.5 | V21 V25 E35 F87 T90 | V21-I23 VanDerWaalsContact C-N 3.33Å; V21-I23 WeakPolarHBondContact CG1-O 3.3Å; I23-V25 PolarHBondContact O-N 3.31Å; I23-E35 HydrophobicContact CB-CG 4.49Å; I23-E35 HydrophobicContact CG1-CG 4.33Å; I23-E35 HydrophobicContact CG2-CG 4.32Å; I23-F87 HydrophobicContact CD1-CD2 4.18Å; I23-T90 WeakPolarHBondContact CD1-OG1 3.22Å |
| 24 | M | 67 | Low | 70.9 | Confident | 31 Ų | 31 | 91.9 Ų | 91.9 | 15% | 0.153 | 48% | 0.478 | C | S | . | . | trans | -83.9 | 99.7 | 177.5 | -156.4 | 175.6 | -150.9 | 0 | 0 | 110 | R27 S30 Y32 E35 | M24-R27 HydrophobicContact CG-CB 4.09Å; M24-R27 HydrophobicContact SD-CB 3.91Å; M24-R27 HydrophobicContact SD-CG 4.34Å; M24-S30 WeakPolarHBondContact SD-CB 3.48Å; M24-Y32 HydrophobicContact CB-CD2 3.87Å; M24-Y32 HydrophobicContact CB-CE2 3.57Å; M24-Y32 HydrophobicContact CG-CE2 3.97Å; M24-E35 PolarHBondContact N-OE2 2.89Å | ||
| 25 | V | 70.8 | Confident | 71.5 | Confident | 55 Ų | 55 | 87 Ų | 87 | 33% | 0.333 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | 143.6 | 178.9 | -165.9 | 0 | 0 | 0 | 0 | 109.9 | I23 R27 T90 | I23-V25 PolarHBondContact O-N 3.31Å; V25-R27 PolarHBondContact O-N 3Å; V25-T90 WeakPolarHBondContact CG1-O 3.45Å |
| 26 | W | 65.9 | Low | 72 | Confident | 164 Ų | 164 | 77.6 Ų | 77.6 | 62% | 0.621 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.4 | -9.2 | 174.5 | -51 | 111 | 0 | 0 | 0 | 117.4 | K91 P93 | W26-K91 PolarHBondContact N-O 3.31Å; W26-K91 VanDerWaalsContact N-O 3.09Å; W26-P93 HydrophobicContact CH2-CG 3.34Å; W26-P93 HydrophobicContact CZ2-CG 3.25Å; W26-P93 HydrophobicContact CZ3-CG 4.02Å |
| 27 | R | 68.2 | Low | 72.9 | Confident | 150 Ų | 150 | 80 Ų | 80 | 57% | 0.566 | 41% | 0.408 | S | S | * | . | trans | -107 | 104.8 | 176.8 | -67.4 | -175.2 | -176.6 | -173.3 | 3.2 | 110.5 | M24 V25 K91 | M24-R27 HydrophobicContact CG-CB 4.09Å; M24-R27 HydrophobicContact SD-CB 3.91Å; M24-R27 HydrophobicContact SD-CG 4.34Å; V25-R27 PolarHBondContact O-N 3Å; R27-K91 WeakPolarHBondContact O-CE 3.35Å | ||
| 28 | L | 69 | Low | 73.4 | Confident | 117 Ų | 117 | 77.5 Ų | 77.5 | 61% | 0.613 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -76.9 | -32.7 | 179.2 | -79.2 | 160.6 | 0 | 0 | 0 | 113.5 | K91 L92 | L28-K91 HydrophobicContact CD2-CD 4.48Å; L28-L92 HydrophobicContact CD1-CD1 4.4Å; L28-L92 HydrophobicContact CD1-CD2 4.05Å; L28-L92 HydrophobicContact CD2-CD1 3.9Å; L28-L92 HydrophobicContact CD2-CG 4.32Å; L28-L92 HydrophobicContact CG-CD2 4.32Å |
| 29 | N | 74.7 | Confident | 74.1 | Confident | 168 Ų | 168 | 71.3 Ų | 71.3 | 90% | 0.898 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -86.8 | -15.5 | -176 | -157.6 | -74.4 | 0 | 0 | 0 | 112.9 | ||
| 30 | S | 68.3 | Low | 75.1 | Confident | 52 Ų | 52 | 68.5 Ų | 68.5 | 36% | 0.364 | 37% | 0.37 | S | S | . | . | trans | -111.9 | 138.2 | 177.9 | -55.8 | 0 | 0 | 0 | 0 | 109.7 | M24 | M24-S30 WeakPolarHBondContact SD-CB 3.48Š| ||
| 31 | Q | 71 | Confident | 76.1 | Confident | 79 Ų | 79 | 70.3 Ų | 70.3 | 37% | 0.369 | 37% | 0.369 | S | S | . | . | trans | -141 | 137 | -177.7 | -176.7 | 165.3 | 55.9 | 0 | 0 | 109.2 | E35 G36 | Q31-E35 HydrophobicContact CG-CB 3.74Å; Q31-E35 HydrophobicContact CG-CG 4.08Å; Q31-E35 PolarHBondContact NE2-OE1 2.91Å; Q31-G36 VanDerWaalsContact CD-CA 3.46Å | ||
| 32 | Y | 77.5 | Confident | 77.4 | Confident | 31 Ų | 31 | 71.3 Ų | 71.3 | 12% | 0.122 | 37% | 0.373 | C | S | . | . | trans | -72.3 | 146.4 | 168.4 | -61.6 | -56.3 | 0 | 0 | 0 | 109.7 | P6 G9 M24 L34 E35 G36 | P6-Y32 HydrophobicContact CG-CD1 4Å; P6-Y32 HydrophobicContact CG-CE1 3.76Å; P6-Y32 WeakPolarHBondContact O-CD1 3.38Å; G9-Y32 WeakPolarHBondContact CA-OH 3.38Å; M24-Y32 HydrophobicContact CB-CD2 3.87Å; M24-Y32 HydrophobicContact CB-CE2 3.57Å; M24-Y32 HydrophobicContact CG-CE2 3.97Å; Y32-L34 PolarHBondContact O-N 2.88Å; Y32-E35 WeakPolarHBondContact O-CA 3.32Å; Y32-E35 WeakPolarHBondContact O-CB 3.49Å; Y32-E35 PolarHBondContact O-N 3.06Å; Y32-G36 PolarHBondContact O-N 3.14Å; Y32-G36 VanDerWaalsContact O-N 3.13Å | ||
| 33 | I | 76.9 | Confident | 78.5 | Confident | 88 Ų | 88 | 75.3 Ų | 75.3 | 45% | 0.451 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -57.1 | -41.5 | -177.3 | -62.6 | 169.2 | 0 | 0 | 0 | 111.1 | P5 E35 G36 L37 | P5-I33 HydrophobicContact CG-CG1 4.28Å; I33-E35 VanDerWaalsContact C-N 3.3Å; I33-E35 PolarHBondContact O-N 3.18Å; I33-G36 PolarHBondContact O-N 3.19Å; I33-L37 HydrophobicContact CG2-CD1 3.92Å; I33-L37 HydrophobicContact CG2-CG 4.33Å; I33-L37 WeakPolarHBondContact O-CB 3.45Å; I33-L37 WeakPolarHBondContact O-CG 3.4Å; I33-L37 PolarHBondContact O-N 3.38Å |
| 34 | L | 81 | Confident | 79.7 | Confident | 70 Ų | 70 | 78.1 Ų | 78.1 | 37% | 0.366 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -64.4 | -34.1 | 176.8 | -71.1 | -175.1 | 0 | 0 | 0 | 113.1 | S7 M8 Y32 A38 | S7-L34 WeakPolarHBondContact O-CG 3.31Å; M8-L34 HydrophobicContact CE-CD1 4.41Å; M8-L34 HydrophobicContact CG-CD1 3.26Å; M8-L34 HydrophobicContact CG-CG 4.25Å; M8-L34 HydrophobicContact SD-CD1 3.51Å; M8-L34 VanDerWaalsContact SD-CD1 3.51Å; Y32-L34 PolarHBondContact O-N 2.88Å; L34-A38 VanDerWaalsContact O-CB 3.22Å; L34-A38 WeakPolarHBondContact O-CB 3.11Å; L34-A38 PolarHBondContact O-N 3.14Å |
| 35 | E | 82.7 | Confident | 80.9 | Confident | 3 Ų | 3 | 79.2 Ų | 79.2 | 1% | 0.014 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -63.8 | -46 | 176.9 | -164.9 | -160.1 | 121.8 | 0 | 0 | 110.5 | A22 I23 M24 Q31 Y32 I33 A38 A39 F87 K91 | A22-E35 WeakPolarHBondContact O-CB 3.31Å; I23-E35 HydrophobicContact CB-CG 4.49Å; I23-E35 HydrophobicContact CG1-CG 4.33Å; I23-E35 HydrophobicContact CG2-CG 4.32Å; M24-E35 PolarHBondContact N-OE2 2.89Å; Q31-E35 HydrophobicContact CG-CB 3.74Å; Q31-E35 HydrophobicContact CG-CG 4.08Å; Q31-E35 PolarHBondContact NE2-OE1 2.91Å; Y32-E35 WeakPolarHBondContact O-CA 3.32Å; Y32-E35 WeakPolarHBondContact O-CB 3.49Å; Y32-E35 PolarHBondContact O-N 3.06Å; I33-E35 VanDerWaalsContact C-N 3.3Å; I33-E35 PolarHBondContact O-N 3.18Å; E35-A38 PolarHBondContact O-N 3.49Å; E35-A39 WeakPolarHBondContact O-CB 3.26Å; E35-A39 PolarHBondContact O-N 3.06Å; E35-F87 HydrophobicContact CB-CE2 4.49Å; E35-F87 HydrophobicContact CG-CE2 3.36Å; E35-F87 HydrophobicContact CG-CZ 3.33Å; E35-F87 WeakPolarHBondContact OE1-CZ 3.47Å; E35-K91 WeakPolarHBondContact OE1-CE 3.47Å; E35-K91 IonicContact OE1-NZ 2.75Å; E35-K91 PolarHBondContact OE1-NZ 2.88Å |
| 36 | G | 84 | Confident | 82 | Confident | 18 Ų | 18 | 76.9 Ų | 76.9 | 19% | 0.186 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -67.2 | -42.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q31 Y32 I33 A39 S40 | Q31-G36 VanDerWaalsContact CD-CA 3.46Å; Y32-G36 PolarHBondContact O-N 3.14Å; Y32-G36 VanDerWaalsContact O-N 3.13Å; I33-G36 PolarHBondContact O-N 3.19Å; G36-A39 PolarHBondContact O-N 3.35Å; G36-S40 WeakPolarHBondContact O-CB 3.43Å; G36-S40 PolarHBondContact O-N 3Å; G36-S40 PolarHBondContact O-OG 2.94Å |
| 37 | L | 87.8 | Confident | 83.3 | Confident | 102 Ų | 102 | 70.7 Ų | 70.7 | 53% | 0.534 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -61.2 | -46.1 | 174.7 | -75.2 | 173.3 | 0 | 0 | 0 | 111.4 | I33 A39 S40 F41 | I33-L37 HydrophobicContact CG2-CD1 3.92Å; I33-L37 HydrophobicContact CG2-CG 4.33Å; I33-L37 WeakPolarHBondContact O-CB 3.45Å; I33-L37 WeakPolarHBondContact O-CG 3.4Å; I33-L37 PolarHBondContact O-N 3.38Å; L37-A39 PolarHBondContact O-N 3.42Å; L37-S40 PolarHBondContact O-N 3.4Å; L37-S40 PolarHBondContact O-OG 3.4Å; L37-F41 WeakPolarHBondContact O-CB 3.34Å; L37-F41 PolarHBondContact O-N 2.88Å |
| 38 | A | 86.7 | Confident | 84.4 | Confident | 47 Ų | 47 | 69 Ų | 69 | 39% | 0.388 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -61.9 | -44.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L34 E35 F41 M42 | L34-A38 VanDerWaalsContact O-CB 3.22Å; L34-A38 WeakPolarHBondContact O-CB 3.11Å; L34-A38 PolarHBondContact O-N 3.14Å; E35-A38 PolarHBondContact O-N 3.49Å; A38-F41 PolarHBondContact O-N 3.48Å; A38-M42 VanDerWaalsContact O-CG 3.27Å; A38-M42 WeakPolarHBondContact O-CG 3.26Å; A38-M42 PolarHBondContact O-N 2.96Å |
| 39 | A | 86.9 | Confident | 85.5 | Confident | 12 Ų | 12 | 63.4 Ų | 63.4 | 10% | 0.099 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -62.7 | -47.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | E35 G36 L37 F41 M42 F43 F87 | E35-A39 WeakPolarHBondContact O-CB 3.26Å; E35-A39 PolarHBondContact O-N 3.06Å; G36-A39 PolarHBondContact O-N 3.35Å; L37-A39 PolarHBondContact O-N 3.42Å; A39-F41 VanDerWaalsContact C-N 3.34Å; A39-F41 PolarHBondContact O-N 2.93Å; A39-M42 PolarHBondContact O-N 3.2Å; A39-F43 HydrophobicContact CB-CE2 4.47Å; A39-F43 WeakPolarHBondContact O-CD2 3.41Å; A39-F43 PolarHBondContact O-N 3.32Å; A39-F87 HydrophobicContact CB-CE1 4.16Å; A39-F87 HydrophobicContact CB-CE2 4.38Å; A39-F87 HydrophobicContact CB-CZ 3.82Å |
| 40 | S | 90.3 | Very high | 86.3 | Confident | 60 Ų | 60 | 61.5 Ų | 61.5 | 42% | 0.42 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -61 | -41.9 | 178.7 | 65.8 | 0 | 0 | 0 | 0 | 112.2 | G36 L37 M42 F43 V44 | G36-S40 WeakPolarHBondContact O-CB 3.43Å; G36-S40 PolarHBondContact O-N 3Å; G36-S40 PolarHBondContact O-OG 2.94Å; L37-S40 PolarHBondContact O-N 3.4Å; L37-S40 PolarHBondContact O-OG 3.4Å; S40-M42 VanDerWaalsContact C-N 3.35Å; S40-M42 PolarHBondContact O-N 3.37Å; S40-F43 PolarHBondContact O-N 3.47Å; S40-V44 WeakPolarHBondContact O-CG2 3.36Å; S40-V44 PolarHBondContact O-N 2.98Å |
| 41 | F | 90.7 | Very high | 87.4 | Confident | 119 Ų | 119 | 63.9 Ų | 63.9 | 52% | 0.522 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -60.4 | -43.7 | 175.2 | 179.8 | -104.7 | 0 | 0 | 0 | 112 | L37 A38 A39 V44 M45 | L37-F41 WeakPolarHBondContact O-CB 3.34Å; L37-F41 PolarHBondContact O-N 2.88Å; A38-F41 PolarHBondContact O-N 3.48Å; A39-F41 VanDerWaalsContact C-N 3.34Å; A39-F41 PolarHBondContact O-N 2.93Å; F41-V44 PolarHBondContact O-N 3.17Å; F41-M45 HydrophobicContact CD1-CE 4.23Å; F41-M45 HydrophobicContact CE1-CE 3.26Å; F41-M45 HydrophobicContact CE1-SD 4.48Å; F41-M45 HydrophobicContact CE2-CE 4.26Å; F41-M45 HydrophobicContact CZ-CE 3.28Å; F41-M45 VanDerWaalsContact O-CB 3.27Å; F41-M45 WeakPolarHBondContact O-CB 3.35Å; F41-M45 PolarHBondContact O-N 3.38Å |
| 42 | M | 90.7 | Very high | 88.3 | Confident | 39 Ų | 39 | 61 Ų | 61 | 19% | 0.192 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -65.5 | -38.3 | 177.9 | -68.5 | -68.3 | 165.3 | 0 | 0 | 112.4 | A38 A39 S40 M45 G46 S80 T83 L84 | A38-M42 VanDerWaalsContact O-CG 3.27Å; A38-M42 WeakPolarHBondContact O-CG 3.26Å; A38-M42 PolarHBondContact O-N 2.96Å; A39-M42 PolarHBondContact O-N 3.2Å; S40-M42 VanDerWaalsContact C-N 3.35Å; S40-M42 PolarHBondContact O-N 3.37Å; M42-M45 PolarHBondContact O-N 2.97Å; M42-G46 PolarHBondContact O-N 3.49Å; M42-S80 WeakPolarHBondContact O-CB 3.3Å; M42-T83 HydrophobicContact CE-CG2 3.73Å; M42-T83 HydrophobicContact CG-CG2 3.97Å; M42-T83 HydrophobicContact SD-CG2 3.74Å; M42-L84 HydrophobicContact CB-CD2 4.15Å; M42-L84 HydrophobicContact CB-CG 4.24Å |
| 43 | F | 90.6 | Very high | 88.8 | Confident | 132 Ų | 132 | 63 Ų | 63 | 58% | 0.579 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -65 | -44.9 | 174.2 | -76.3 | -61.8 | 0 | 0 | 0 | 112.5 | A39 S40 M45 G46 G47 L84 | A39-F43 HydrophobicContact CB-CE2 4.47Å; A39-F43 WeakPolarHBondContact O-CD2 3.41Å; A39-F43 PolarHBondContact O-N 3.32Å; S40-F43 PolarHBondContact O-N 3.47Å; F43-M45 VanDerWaalsContact C-N 3.33Å; F43-M45 PolarHBondContact O-N 2.9Å; F43-G46 PolarHBondContact O-N 2.89Å; F43-G47 PolarHBondContact O-N 3.44Å; F43-L84 HydrophobicContact CD1-CD1 3.78Å; F43-L84 HydrophobicContact CD1-CD2 4.28Å; F43-L84 HydrophobicContact CD2-CD2 4.27Å; F43-L84 HydrophobicContact CE1-CD1 3.62Å; F43-L84 HydrophobicContact CE1-CD2 3.88Å; F43-L84 HydrophobicContact CE1-CG 4.41Å; F43-L84 HydrophobicContact CE2-CD2 3.86Å; F43-L84 HydrophobicContact CG-CD2 4.45Å; F43-L84 HydrophobicContact CZ-CD1 4.26Å; F43-L84 HydrophobicContact CZ-CD2 3.65Å |
| 44 | V | 93.9 | Very high | 89.4 | Confident | 104 Ų | 104 | 62.9 Ų | 62.9 | 63% | 0.63 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -62.6 | -43.1 | 176.9 | 172.1 | 0 | 0 | 0 | 0 | 110.6 | S40 F41 G47 F48 | S40-V44 WeakPolarHBondContact O-CG2 3.36Å; S40-V44 PolarHBondContact O-N 2.98Å; F41-V44 PolarHBondContact O-N 3.17Å; V44-G47 PolarHBondContact O-N 3Å; V44-F48 VanDerWaalsContact O-CB 3.28Å; V44-F48 WeakPolarHBondContact O-CB 3.4Å; V44-F48 PolarHBondContact O-N 3.29Å |
| 45 | M | 92.2 | Very high | 89.7 | Confident | 53 Ų | 53 | 64.9 Ų | 64.9 | 26% | 0.261 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -60.7 | -46.9 | 176.8 | -176.4 | 174.2 | -71.7 | 0 | 0 | 111.5 | F41 M42 F43 G47 F48 G49 C76 | F41-M45 HydrophobicContact CD1-CE 4.23Å; F41-M45 HydrophobicContact CE1-CE 3.26Å; F41-M45 HydrophobicContact CE1-SD 4.48Å; F41-M45 HydrophobicContact CE2-CE 4.26Å; F41-M45 HydrophobicContact CZ-CE 3.28Å; F41-M45 VanDerWaalsContact O-CB 3.27Å; F41-M45 WeakPolarHBondContact O-CB 3.35Å; F41-M45 PolarHBondContact O-N 3.38Å; M42-M45 PolarHBondContact O-N 2.97Å; F43-M45 VanDerWaalsContact C-N 3.33Å; F43-M45 PolarHBondContact O-N 2.9Å; M45-G47 PolarHBondContact O-N 3.5Å; M45-F48 PolarHBondContact O-N 2.83Å; M45-G49 PolarHBondContact O-N 3.47Å; M45-C76 WeakPolarHBondContact CG-SG 3.4Å; M45-C76 PolarHBondContact O-SG 3.37Å |
| 46 | G | 92.8 | Very high | 89.8 | Confident | 6 Ų | 6 | 65 Ų | 65 | 6% | 0.062 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -59.7 | -45.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113 | M42 F43 G49 F50 S80 | M42-G46 PolarHBondContact O-N 3.49Å; F43-G46 PolarHBondContact O-N 2.89Å; G46-G49 PolarHBondContact O-N 3.36Å; G46-F50 VanDerWaalsContact O-CD2 3.31Å; G46-F50 WeakPolarHBondContact O-CD2 3.28Å; G46-F50 PolarHBondContact O-N 3.09Å; G46-S80 WeakPolarHBondContact CA-OG 3.45Å |
| 47 | G | 92.8 | Very high | 89.7 | Confident | 34 Ų | 34 | 70.3 Ų | 70.3 | 35% | 0.351 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -63.9 | -40.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | F43 V44 M45 G49 F50 I51 | F43-G47 PolarHBondContact O-N 3.44Å; V44-G47 PolarHBondContact O-N 3Å; M45-G47 PolarHBondContact O-N 3.5Å; G47-G49 VanDerWaalsContact C-N 3.29Å; G47-G49 PolarHBondContact O-N 2.97Å; G47-F50 PolarHBondContact O-N 2.89Å; G47-I51 WeakPolarHBondContact O-CG1 3.47Å; G47-I51 PolarHBondContact O-N 3.26Å; G47-I51 VanDerWaalsContact O-N 3.14Å |
| 48 | F | 92.5 | Very high | 89.3 | Confident | 115 Ų | 115 | 71.2 Ų | 71.2 | 50% | 0.504 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -60.5 | -39.7 | 174.4 | -177.6 | -99.9 | 0 | 0 | 0 | 111.7 | V44 M45 F50 I51 V52 | V44-F48 VanDerWaalsContact O-CB 3.28Å; V44-F48 WeakPolarHBondContact O-CB 3.4Å; V44-F48 PolarHBondContact O-N 3.29Å; M45-F48 PolarHBondContact O-N 2.83Å; F48-F50 VanDerWaalsContact C-N 3.32Å; F48-F50 PolarHBondContact O-N 3.48Å; F48-I51 PolarHBondContact O-N 2.96Å; F48-V52 HydrophobicContact CD1-CG2 3.95Å; F48-V52 HydrophobicContact CE1-CG2 3.52Å; F48-V52 HydrophobicContact CE2-CG2 4.27Å; F48-V52 HydrophobicContact CG-CG2 4.5Å; F48-V52 HydrophobicContact CZ-CG2 3.7Å; F48-V52 WeakPolarHBondContact O-CG2 3.19Å; F48-V52 PolarHBondContact O-N 3.3Å |
| 49 | G | 91.8 | Very high | 88.6 | Confident | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -57 | -41.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | M45 G46 G47 M53 | M45-G49 PolarHBondContact O-N 3.47Å; G46-G49 PolarHBondContact O-N 3.36Å; G47-G49 VanDerWaalsContact C-N 3.29Å; G47-G49 PolarHBondContact O-N 2.97Å; G49-M53 PolarHBondContact O-N 3.01Å |
| 50 | F | 91.2 | Very high | 88.1 | Confident | 128 Ų | 128 | 80.1 Ų | 80.1 | 56% | 0.561 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -66.5 | -42 | 175 | -77.5 | -73.7 | 0 | 0 | 0 | 112.7 | G46 G47 F48 V52 M53 D54 I77 | G46-F50 VanDerWaalsContact O-CD2 3.31Å; G46-F50 WeakPolarHBondContact O-CD2 3.28Å; G46-F50 PolarHBondContact O-N 3.09Å; G47-F50 PolarHBondContact O-N 2.89Å; F48-F50 VanDerWaalsContact C-N 3.32Å; F48-F50 PolarHBondContact O-N 3.48Å; F50-V52 VanDerWaalsContact C-N 3.35Å; F50-V52 PolarHBondContact O-N 2.71Å; F50-M53 WeakPolarHBondContact O-CB 3.08Å; F50-M53 PolarHBondContact O-N 3.39Å; F50-D54 PolarHBondContact O-N 2.87Å; F50-I77 HydrophobicContact CD1-CD1 3.83Å; F50-I77 HydrophobicContact CD2-CD1 4.13Å; F50-I77 HydrophobicContact CD2-CG1 4.11Å; F50-I77 HydrophobicContact CE1-CD1 3.86Å; F50-I77 HydrophobicContact CE2-CD1 4.15Å; F50-I77 HydrophobicContact CE2-CG1 4.08Å; F50-I77 HydrophobicContact CE2-CG2 4.12Å; F50-I77 HydrophobicContact CG-CD1 3.97Å; F50-I77 HydrophobicContact CG-CG1 4.41Å; F50-I77 HydrophobicContact CZ-CD1 4.02Å; F50-I77 HydrophobicContact CZ-CG1 4.35Å; F50-I77 HydrophobicContact CZ-CG2 4.05Å |
| 51 | I | 91.6 | Very high | 87.3 | Confident | 101 Ų | 101 | 79.2 Ų | 79.2 | 52% | 0.518 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -62.9 | -42.1 | 177.6 | -65.1 | 165.4 | 0 | 0 | 0 | 111 | G47 F48 M53 D54 K55 | G47-I51 WeakPolarHBondContact O-CG1 3.47Å; G47-I51 PolarHBondContact O-N 3.26Å; G47-I51 VanDerWaalsContact O-N 3.14Å; F48-I51 PolarHBondContact O-N 2.96Å; I51-M53 VanDerWaalsContact C-N 3.32Å; I51-M53 PolarHBondContact O-N 3.33Å; I51-D54 PolarHBondContact O-N 3.41Å; I51-K55 WeakPolarHBondContact O-CG 3.43Å; I51-K55 PolarHBondContact O-N 3.35Å |
| 52 | V | 89.7 | Confident | 87 | Confident | 20 Ų | 20 | 78.3 Ų | 78.3 | 12% | 0.121 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -62 | -43.1 | 175.4 | 172.2 | 0 | 0 | 0 | 0 | 110.3 | F48 F50 D54 K55 V56 L72 | F48-V52 HydrophobicContact CD1-CG2 3.95Å; F48-V52 HydrophobicContact CE1-CG2 3.52Å; F48-V52 HydrophobicContact CE2-CG2 4.27Å; F48-V52 HydrophobicContact CG-CG2 4.5Å; F48-V52 HydrophobicContact CZ-CG2 3.7Å; F48-V52 WeakPolarHBondContact O-CG2 3.19Å; F48-V52 PolarHBondContact O-N 3.3Å; F50-V52 VanDerWaalsContact C-N 3.35Å; F50-V52 PolarHBondContact O-N 2.71Å; V52-D54 VanDerWaalsContact C-N 3.34Å; V52-D54 PolarHBondContact O-N 2.9Å; V52-K55 PolarHBondContact O-N 3.5Å; V52-V56 HydrophobicContact CG1-CG2 4.26Å; V52-V56 WeakPolarHBondContact O-CG2 3.42Å; V52-V56 PolarHBondContact O-N 2.95Å; V52-L72 HydrophobicContact CG1-CD2 4.33Å |
| 53 | M | 88.5 | Confident | 86.6 | Confident | 72 Ų | 72 | 85.2 Ų | 85.2 | 36% | 0.355 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -62.6 | -41.2 | 179.2 | -161.5 | 171.2 | -150.9 | 0 | 0 | 112.4 | G49 F50 I51 V56 N57 I74 I77 | G49-M53 PolarHBondContact O-N 3.01Å; F50-M53 WeakPolarHBondContact O-CB 3.08Å; F50-M53 PolarHBondContact O-N 3.39Å; I51-M53 VanDerWaalsContact C-N 3.32Å; I51-M53 PolarHBondContact O-N 3.33Å; M53-V56 PolarHBondContact O-N 2.9Å; M53-N57 PolarHBondContact O-N 2.94Å; M53-I74 HydrophobicContact CE-CD1 3.81Å; M53-I74 HydrophobicContact CE-CG1 3.53Å; M53-I77 HydrophobicContact SD-CD1 4.39Å |
| 54 | D | 88.8 | Confident | 86.4 | Confident | 86 Ų | 86 | 85.4 Ų | 85.4 | 46% | 0.46 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -62.6 | -47.3 | 175.1 | -174.6 | 56.6 | 0 | 0 | 0 | 111.5 | F50 I51 V52 V56 N57 E58 | F50-D54 PolarHBondContact O-N 2.87Å; I51-D54 PolarHBondContact O-N 3.41Å; V52-D54 VanDerWaalsContact C-N 3.34Å; V52-D54 PolarHBondContact O-N 2.9Å; D54-V56 VanDerWaalsContact C-N 3.29Å; D54-V56 PolarHBondContact O-N 3.29Å; D54-N57 WeakPolarHBondContact O-CB 3.2Å; D54-N57 PolarHBondContact O-N 3.46Å; D54-N57 VanDerWaalsContact O-N 3.1Å; D54-E58 PolarHBondContact O-N 3.46Å |
| 55 | K | 86.7 | Confident | 86 | Confident | 112 Ų | 112 | 83.7 Ų | 83.7 | 49% | 0.487 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -63.7 | -32.7 | 178.3 | -72.6 | -70.6 | 153.8 | -150 | 0 | 113.5 | I51 V52 N57 E58 A59 | I51-K55 WeakPolarHBondContact O-CG 3.43Å; I51-K55 PolarHBondContact O-N 3.35Å; V52-K55 PolarHBondContact O-N 3.5Å; K55-N57 VanDerWaalsContact C-N 3.29Å; K55-N57 PolarHBondContact O-N 2.93Å; K55-E58 IonicContact NZ-OE2 2.76Å; K55-E58 PolarHBondContact NZ-OE2 3.47Å; K55-E58 PolarHBondContact O-N 3.27Å; K55-A59 WeakPolarHBondContact O-CB 3.21Å; K55-A59 PolarHBondContact O-N 3.33Å |
| 56 | V | 85.4 | Confident | 85.7 | Confident | 6 Ų | 6 | 85.6 Ų | 85.6 | 4% | 0.036 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -70.4 | -28.6 | 177.5 | 176.3 | 0 | 0 | 0 | 0 | 112.1 | V52 M53 D54 R66 L69 M70 | V52-V56 HydrophobicContact CG1-CG2 4.26Å; V52-V56 WeakPolarHBondContact O-CG2 3.42Å; V52-V56 PolarHBondContact O-N 2.95Å; M53-V56 PolarHBondContact O-N 2.9Å; D54-V56 VanDerWaalsContact C-N 3.29Å; D54-V56 PolarHBondContact O-N 3.29Å; V56-R66 HydrophobicContact CG1-CB 4.49Å; V56-R66 HydrophobicContact CG1-CG 3.62Å; V56-L69 HydrophobicContact CB-CB 4.49Å; V56-L69 HydrophobicContact CG1-CB 4.34Å; V56-L69 HydrophobicContact CG2-CB 3.27Å; V56-L69 HydrophobicContact CG2-CD1 3.86Å; V56-L69 HydrophobicContact CG2-CG 4.16Å; V56-M70 HydrophobicContact CG1-CG 3.64Å |
| 57 | N | 81.5 | Confident | 85.5 | Confident | 128 Ų | 128 | 90 Ų | 90 | 68% | 0.684 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -72 | -40.8 | 175.6 | -167.8 | 45.2 | 0 | 0 | 0 | 111.7 | M53 D54 K55 | M53-N57 PolarHBondContact O-N 2.94Å; D54-N57 WeakPolarHBondContact O-CB 3.2Å; D54-N57 PolarHBondContact O-N 3.46Å; D54-N57 VanDerWaalsContact O-N 3.1Å; K55-N57 VanDerWaalsContact C-N 3.29Å; K55-N57 PolarHBondContact O-N 2.93Å |
| 58 | E | 79.6 | Confident | 85.3 | Confident | 121 Ų | 121 | 94 Ų | 94 | 57% | 0.565 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -74 | -35.4 | 176.8 | -64.3 | -177.4 | 158 | 0 | 0 | 113 | D54 K55 | D54-E58 PolarHBondContact O-N 3.46Å; K55-E58 IonicContact NZ-OE2 2.76Å; K55-E58 PolarHBondContact NZ-OE2 3.47Å; K55-E58 PolarHBondContact O-N 3.27Å |
| 59 | A | 73.5 | Confident | 85.2 | Confident | 37 Ų | 37 | 91.1 Ų | 91.1 | 31% | 0.306 | 45% | 0.453 | S | S | . | . | S | Bend | trans | -75.8 | 131 | -171.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | K55 V61 R66 | K55-A59 WeakPolarHBondContact O-CB 3.21Å; K55-A59 PolarHBondContact O-N 3.33Å; A59-V61 HydrophobicContact CB-CG1 3.89Å; A59-V61 HydrophobicContact CB-CG2 4.45Å; A59-V61 PolarHBondContact O-N 2.9Å; A59-R66 PolarHBondContact O-NH2 3.4Å |
| 60 | K | 74.8 | Confident | 85.1 | Confident | 209 Ų | 209 | 94.5 Ų | 94.5 | 91% | 0.909 | 47% | 0.469 | S | S | * | . | trans | -75.9 | 54.9 | 168.3 | -63.5 | -178.2 | -177.1 | 177.9 | 0 | 111.1 | ||||
| 61 | V | 74.3 | Confident | 85.1 | Confident | 41 Ų | 41 | 91.2 Ų | 91.2 | 25% | 0.248 | 47% | 0.466 | C | S | . | . | trans | -76.4 | 154.8 | 176.6 | -75.6 | 0 | 0 | 0 | 0 | 111.7 | A59 N65 R66 | A59-V61 HydrophobicContact CB-CG1 3.89Å; A59-V61 HydrophobicContact CB-CG2 4.45Å; A59-V61 PolarHBondContact O-N 2.9Å; V61-N65 HydrophobicContact CB-CB 4.4Å; V61-R66 HydrophobicContact CG2-CB 3.64Å; V61-R66 HydrophobicContact CG2-CG 4.01Å | ||
| 62 | T | 84 | Confident | 85.1 | Confident | 101 Ų | 101 | 91.2 Ų | 91.2 | 62% | 0.62 | 47% | 0.466 | S | S | * | . | trans | -57.6 | 149.3 | 171.9 | 59.1 | 0 | 0 | 0 | 0 | 110.5 | L64 N65 R66 | T62-L64 VanDerWaalsContact C-N 3.26Å; T62-L64 PolarHBondContact O-N 2.87Å; T62-N65 PolarHBondContact O-N 3.41Å; T62-N65 WeakPolarHBondContact OG1-CB 3.33Å; T62-R66 PolarHBondContact O-N 2.84Å | ||
| 63 | K | 83.1 | Confident | 85.2 | Confident | 184 Ų | 184 | 90.3 Ų | 90.3 | 80% | 0.8 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -52.5 | -42.9 | -175 | -66.5 | -177.7 | -179.8 | -179.7 | 0 | 112.8 | R66 I67 | K63-R66 WeakPolarHBondContact O-CB 3.31Å; K63-R66 PolarHBondContact O-N 2.87Å; K63-I67 VanDerWaalsContact O-CG1 3.32Å; K63-I67 WeakPolarHBondContact O-CG1 3.16Å; K63-I67 PolarHBondContact O-N 3.02Å; K63-I67 VanDerWaalsContact O-N 3.14Å |
| 64 | L | 85.2 | Confident | 85.4 | Confident | 135 Ų | 135 | 90.5 Ų | 90.5 | 71% | 0.707 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -65.4 | -47.2 | 177.8 | -71.5 | 173 | 0 | 0 | 0 | 112.1 | T62 R66 I67 L68 | T62-L64 VanDerWaalsContact C-N 3.26Å; T62-L64 PolarHBondContact O-N 2.87Å; L64-R66 VanDerWaalsContact C-N 3.27Å; L64-R66 PolarHBondContact O-N 2.89Å; L64-I67 PolarHBondContact O-N 3.44Å; L64-L68 WeakPolarHBondContact O-CG 3.4Å; L64-L68 PolarHBondContact O-N 2.99Å |
| 65 | N | 86.5 | Confident | 85.6 | Confident | 69 Ų | 69 | 87.8 Ų | 87.8 | 37% | 0.369 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -66 | -34 | -179.5 | -160 | 33.5 | 0 | 0 | 0 | 111.5 | V61 T62 L68 L69 | V61-N65 HydrophobicContact CB-CB 4.4Å; T62-N65 PolarHBondContact O-N 3.41Å; T62-N65 WeakPolarHBondContact OG1-CB 3.33Å; N65-L68 PolarHBondContact O-N 3.15Å; N65-L69 WeakPolarHBondContact O-CB 3.46Å; N65-L69 VanDerWaalsContact O-CG 3.26Å; N65-L69 WeakPolarHBondContact O-CG 3.32Å; N65-L69 PolarHBondContact O-N 3.3Å |
| 66 | R | 86.1 | Confident | 85.8 | Confident | 93 Ų | 93 | 83.5 Ų | 83.5 | 35% | 0.351 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -58.7 | -49.6 | 171.5 | -165.9 | 175.7 | -83.9 | -156.8 | -11.4 | 111.5 | V56 A59 V61 T62 K63 L64 L69 M70 | V56-R66 HydrophobicContact CG1-CB 4.49Å; V56-R66 HydrophobicContact CG1-CG 3.62Å; A59-R66 PolarHBondContact O-NH2 3.4Å; V61-R66 HydrophobicContact CG2-CB 3.64Å; V61-R66 HydrophobicContact CG2-CG 4.01Å; T62-R66 PolarHBondContact O-N 2.84Å; K63-R66 WeakPolarHBondContact O-CB 3.31Å; K63-R66 PolarHBondContact O-N 2.87Å; L64-R66 VanDerWaalsContact C-N 3.27Å; L64-R66 PolarHBondContact O-N 2.89Å; R66-L69 PolarHBondContact O-N 3.45Å; R66-M70 HydrophobicContact CG-CE 3.91Å; R66-M70 HydrophobicContact CG-SD 4.4Å; R66-M70 WeakPolarHBondContact O-CB 3.2Å; R66-M70 VanDerWaalsContact O-CG 3.3Å; R66-M70 WeakPolarHBondContact O-CG 3.44Å; R66-M70 PolarHBondContact O-N 3.46Å |
| 67 | I | 87.4 | Confident | 86.2 | Confident | 99 Ų | 99 | 84.1 Ų | 84.1 | 51% | 0.508 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -63.2 | -45 | -179.6 | -67 | 164.1 | 0 | 0 | 0 | 110.7 | K63 L64 M70 A71 | K63-I67 VanDerWaalsContact O-CG1 3.32Å; K63-I67 WeakPolarHBondContact O-CG1 3.16Å; K63-I67 PolarHBondContact O-N 3.02Å; K63-I67 VanDerWaalsContact O-N 3.14Å; L64-I67 PolarHBondContact O-N 3.44Å; I67-M70 HydrophobicContact CG1-CE 4.29Å; I67-M70 PolarHBondContact O-N 2.88Å; I67-A71 WeakPolarHBondContact O-CB 3.37Å; I67-A71 PolarHBondContact O-N 3.43Å |
| 68 | L | 89.8 | Confident | 86.7 | Confident | 117 Ų | 117 | 82.6 Ų | 82.6 | 61% | 0.613 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -62.2 | -45.4 | 179.1 | -69.3 | 174 | 0 | 0 | 0 | 112.2 | L64 N65 A71 L72 | L64-L68 WeakPolarHBondContact O-CG 3.4Å; L64-L68 PolarHBondContact O-N 2.99Å; N65-L68 PolarHBondContact O-N 3.15Å; L68-A71 PolarHBondContact O-N 3.2Å; L68-L72 WeakPolarHBondContact O-CB 3.22Å; L68-L72 PolarHBondContact O-N 3.43Å |
| 69 | L | 89.2 | Confident | 87.4 | Confident | 55 Ų | 55 | 80.3 Ų | 80.3 | 29% | 0.288 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -69.6 | -36.4 | 178.9 | -67.6 | 169 | 0 | 0 | 0 | 112.4 | V56 N65 R66 L72 G73 | V56-L69 HydrophobicContact CB-CB 4.49Å; V56-L69 HydrophobicContact CG1-CB 4.34Å; V56-L69 HydrophobicContact CG2-CB 3.27Å; V56-L69 HydrophobicContact CG2-CD1 3.86Å; V56-L69 HydrophobicContact CG2-CG 4.16Å; N65-L69 WeakPolarHBondContact O-CB 3.46Å; N65-L69 VanDerWaalsContact O-CG 3.26Å; N65-L69 WeakPolarHBondContact O-CG 3.32Å; N65-L69 PolarHBondContact O-N 3.3Å; R66-L69 PolarHBondContact O-N 3.45Å; L69-L72 PolarHBondContact O-N 3.06Å; L69-G73 PolarHBondContact O-N 2.97Å |
| 70 | M | 89.7 | Confident | 88.2 | Confident | 70 Ų | 70 | 78.8 Ų | 78.8 | 35% | 0.345 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -62.3 | -45.6 | 171.2 | -74.5 | -173.3 | -60.8 | 0 | 0 | 111.3 | V56 R66 I67 L72 G73 I74 | V56-M70 HydrophobicContact CG1-CG 3.64Å; R66-M70 HydrophobicContact CG-CE 3.91Å; R66-M70 HydrophobicContact CG-SD 4.4Å; R66-M70 WeakPolarHBondContact O-CB 3.2Å; R66-M70 VanDerWaalsContact O-CG 3.3Å; R66-M70 WeakPolarHBondContact O-CG 3.44Å; R66-M70 PolarHBondContact O-N 3.46Å; I67-M70 HydrophobicContact CG1-CE 4.29Å; I67-M70 PolarHBondContact O-N 2.88Å; M70-L72 VanDerWaalsContact C-N 3.31Å; M70-L72 PolarHBondContact O-N 3.27Å; M70-G73 PolarHBondContact O-N 2.94Å; M70-I74 WeakPolarHBondContact O-CB 3.34Å; M70-I74 VanDerWaalsContact O-CG1 3.26Å; M70-I74 WeakPolarHBondContact O-CG1 2.93Å; M70-I74 PolarHBondContact O-N 3.36Å |
| 71 | A | 91.1 | Very high | 89 | Confident | 59 Ų | 59 | 73.4 Ų | 73.4 | 49% | 0.488 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -61.6 | -40.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | I67 L68 G75 | I67-A71 WeakPolarHBondContact O-CB 3.37Å; I67-A71 PolarHBondContact O-N 3.43Å; L68-A71 PolarHBondContact O-N 3.2Å; A71-G75 PolarHBondContact O-N 2.86Å |
| 72 | L | 91.9 | Very high | 89.8 | Confident | 102 Ų | 102 | 76.7 Ų | 76.7 | 53% | 0.534 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -65.3 | -46.2 | 175.4 | -175.6 | 126.7 | 0 | 0 | 0 | 111.9 | V52 L68 L69 M70 G75 C76 | V52-L72 HydrophobicContact CG1-CD2 4.33Å; L68-L72 WeakPolarHBondContact O-CB 3.22Å; L68-L72 PolarHBondContact O-N 3.43Å; L69-L72 PolarHBondContact O-N 3.06Å; M70-L72 VanDerWaalsContact C-N 3.31Å; M70-L72 PolarHBondContact O-N 3.27Å; L72-G75 PolarHBondContact O-N 3.5Å; L72-C76 WeakPolarHBondContact O-CB 3.27Å; L72-C76 PolarHBondContact O-N 3.26Å |
| 73 | G | 91.5 | Very high | 90 | Very high | 0 Ų | 0 | 74.1 Ų | 74.1 | 0% | 0 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -61.2 | -49 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L69 M70 C76 I77 | L69-G73 PolarHBondContact O-N 2.97Å; M70-G73 PolarHBondContact O-N 2.94Å; G73-C76 WeakPolarHBondContact O-CB 3.38Å; G73-C76 PolarHBondContact O-N 3.04Å; G73-I77 VanDerWaalsContact O-CG1 3.31Å; G73-I77 WeakPolarHBondContact O-CG1 3.27Å; G73-I77 PolarHBondContact O-N 2.98Å |
| 74 | I | 92.2 | Very high | 90.3 | Very high | 76 Ų | 76 | 66.7 Ų | 66.7 | 39% | 0.39 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -62.5 | -45.3 | 176.7 | -66.1 | 167.1 | 0 | 0 | 0 | 110.7 | M53 M70 C76 I77 L78 | M53-I74 HydrophobicContact CE-CD1 3.81Å; M53-I74 HydrophobicContact CE-CG1 3.53Å; M70-I74 WeakPolarHBondContact O-CB 3.34Å; M70-I74 VanDerWaalsContact O-CG1 3.26Å; M70-I74 WeakPolarHBondContact O-CG1 2.93Å; M70-I74 PolarHBondContact O-N 3.36Å; I74-C76 VanDerWaalsContact C-N 3.31Å; I74-C76 PolarHBondContact O-N 3.38Å; I74-I77 PolarHBondContact O-N 2.75Å; I74-L78 HydrophobicContact CG2-CD1 3.83Å; I74-L78 HydrophobicContact CG2-CG 4.22Å; I74-L78 WeakPolarHBondContact O-CB 3.36Å; I74-L78 WeakPolarHBondContact O-CG 3.43Å; I74-L78 PolarHBondContact O-N 2.95Å |
| 75 | G | 93 | Very high | 90.4 | Very high | 30 Ų | 30 | 67.3 Ų | 67.3 | 31% | 0.309 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -59.7 | -42.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | A71 L72 L78 V79 | A71-G75 PolarHBondContact O-N 2.86Å; L72-G75 PolarHBondContact O-N 3.5Å; G75-L78 PolarHBondContact O-N 3.04Å; G75-V79 WeakPolarHBondContact O-CB 3.35Å; G75-V79 VanDerWaalsContact O-CG2 3.22Å; G75-V79 WeakPolarHBondContact O-CG2 3.4Å; G75-V79 PolarHBondContact O-N 3.28Å |
| 76 | C | 92.1 | Very high | 90.3 | Very high | 22 Ų | 22 | 69 Ų | 69 | 15% | 0.149 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -62.7 | -45.7 | 177.2 | -165.8 | 0 | 0 | 0 | 0 | 112 | M45 L72 G73 I74 S80 | M45-C76 WeakPolarHBondContact CG-SG 3.4Å; M45-C76 PolarHBondContact O-SG 3.37Å; L72-C76 WeakPolarHBondContact O-CB 3.27Å; L72-C76 PolarHBondContact O-N 3.26Å; G73-C76 WeakPolarHBondContact O-CB 3.38Å; G73-C76 PolarHBondContact O-N 3.04Å; I74-C76 VanDerWaalsContact C-N 3.31Å; I74-C76 PolarHBondContact O-N 3.38Å; C76-S80 WeakPolarHBondContact O-CB 3.19Å; C76-S80 PolarHBondContact O-N 3.36Å; C76-S80 PolarHBondContact O-OG 3.32Å |
| 77 | I | 92.7 | Very high | 90.3 | Very high | 19 Ų | 19 | 66.2 Ų | 66.2 | 10% | 0.097 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -62.1 | -49.2 | 175.3 | -65.3 | 163.9 | 0 | 0 | 0 | 110.4 | F50 M53 G73 I74 V79 S80 L81 | F50-I77 HydrophobicContact CD1-CD1 3.83Å; F50-I77 HydrophobicContact CD2-CD1 4.13Å; F50-I77 HydrophobicContact CD2-CG1 4.11Å; F50-I77 HydrophobicContact CE1-CD1 3.86Å; F50-I77 HydrophobicContact CE2-CD1 4.15Å; F50-I77 HydrophobicContact CE2-CG1 4.08Å; F50-I77 HydrophobicContact CE2-CG2 4.12Å; F50-I77 HydrophobicContact CG-CD1 3.97Å; F50-I77 HydrophobicContact CG-CG1 4.41Å; F50-I77 HydrophobicContact CZ-CD1 4.02Å; F50-I77 HydrophobicContact CZ-CG1 4.35Å; F50-I77 HydrophobicContact CZ-CG2 4.05Å; M53-I77 HydrophobicContact SD-CD1 4.39Å; G73-I77 VanDerWaalsContact O-CG1 3.31Å; G73-I77 WeakPolarHBondContact O-CG1 3.27Å; G73-I77 PolarHBondContact O-N 2.98Å; I74-I77 PolarHBondContact O-N 2.75Å; I77-V79 PolarHBondContact O-N 3.23Å; I77-S80 PolarHBondContact O-N 2.95Å; I77-S80 PolarHBondContact O-OG 2.93Å; I77-L81 HydrophobicContact CG2-CD1 3.87Å; I77-L81 HydrophobicContact CG2-CG 4.35Å; I77-L81 WeakPolarHBondContact O-CG 3.38Å; I77-L81 PolarHBondContact O-N 2.87Å |
| 78 | L | 93.8 | Very high | 90 | Very high | 95 Ų | 95 | 64.7 Ų | 64.7 | 50% | 0.497 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61.3 | -45.8 | -179.4 | -73.7 | 175.7 | 0 | 0 | 0 | 112.3 | I74 G75 S80 L81 L82 | I74-L78 HydrophobicContact CG2-CD1 3.83Å; I74-L78 HydrophobicContact CG2-CG 4.22Å; I74-L78 WeakPolarHBondContact O-CB 3.36Å; I74-L78 WeakPolarHBondContact O-CG 3.43Å; I74-L78 PolarHBondContact O-N 2.95Å; G75-L78 PolarHBondContact O-N 3.04Å; L78-S80 VanDerWaalsContact C-N 3.33Å; L78-S80 PolarHBondContact O-N 2.83Å; L78-L81 PolarHBondContact O-N 3.5Å; L78-L82 WeakPolarHBondContact O-CB 3.22Å; L78-L82 VanDerWaalsContact O-CG 3.32Å; L78-L82 WeakPolarHBondContact O-CG 3.41Å; L78-L82 PolarHBondContact O-N 2.92Å |
| 79 | V | 92.5 | Very high | 89.6 | Confident | 73 Ų | 73 | 61.1 Ų | 61.1 | 44% | 0.442 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -61.7 | -43.1 | 177.5 | 169.8 | 0 | 0 | 0 | 0 | 110.8 | G75 I77 T83 | G75-V79 WeakPolarHBondContact O-CB 3.35Å; G75-V79 VanDerWaalsContact O-CG2 3.22Å; G75-V79 WeakPolarHBondContact O-CG2 3.4Å; G75-V79 PolarHBondContact O-N 3.28Å; I77-V79 PolarHBondContact O-N 3.23Å; V79-T83 VanDerWaalsContact O-CB 3.3Å; V79-T83 WeakPolarHBondContact O-CB 3.45Å; V79-T83 PolarHBondContact O-N 3.38Å; V79-T83 PolarHBondContact O-OG1 2.76Å |
| 80 | S | 91.6 | Very high | 89 | Confident | 5 Ų | 5 | 61.1 Ų | 61.1 | 4% | 0.035 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.4 | -44.1 | 177 | 73.8 | 0 | 0 | 0 | 0 | 111.6 | M42 G46 C76 I77 L78 T83 L84 | M42-S80 WeakPolarHBondContact O-CB 3.3Å; G46-S80 WeakPolarHBondContact CA-OG 3.45Å; C76-S80 WeakPolarHBondContact O-CB 3.19Å; C76-S80 PolarHBondContact O-N 3.36Å; C76-S80 PolarHBondContact O-OG 3.32Å; I77-S80 PolarHBondContact O-N 2.95Å; I77-S80 PolarHBondContact O-OG 2.93Å; L78-S80 VanDerWaalsContact C-N 3.33Å; L78-S80 PolarHBondContact O-N 2.83Å; S80-T83 PolarHBondContact O-N 2.91Å; S80-L84 VanDerWaalsContact O-CB 3.31Å; S80-L84 WeakPolarHBondContact O-CB 3.48Å; S80-L84 WeakPolarHBondContact O-CD1 3.34Å; S80-L84 WeakPolarHBondContact O-CG 3.36Å; S80-L84 PolarHBondContact O-N 3.13Å |
| 81 | L | 91.1 | Very high | 88.4 | Confident | 96 Ų | 96 | 58.9 Ų | 58.9 | 50% | 0.503 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -65.5 | -46.7 | 179.5 | -72.8 | 174.2 | 0 | 0 | 0 | 112.2 | I77 L78 R85 | I77-L81 HydrophobicContact CG2-CD1 3.87Å; I77-L81 HydrophobicContact CG2-CG 4.35Å; I77-L81 WeakPolarHBondContact O-CG 3.38Å; I77-L81 PolarHBondContact O-N 2.87Å; L78-L81 PolarHBondContact O-N 3.5Å; L81-R85 WeakPolarHBondContact O-CB 3.25Å; L81-R85 WeakPolarHBondContact O-CG 3.35Å; L81-R85 PolarHBondContact O-N 2.9Å |
| 82 | L | 91.8 | Very high | 87.7 | Confident | 111 Ų | 111 | 58.2 Ų | 58.2 | 58% | 0.581 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -62.8 | -43.8 | 177.9 | -70.2 | 174.5 | 0 | 0 | 0 | 111.1 | L78 R85 I86 | L78-L82 WeakPolarHBondContact O-CB 3.22Å; L78-L82 VanDerWaalsContact O-CG 3.32Å; L78-L82 WeakPolarHBondContact O-CG 3.41Å; L78-L82 PolarHBondContact O-N 2.92Å; L82-R85 PolarHBondContact O-N 2.97Å; L82-I86 VanDerWaalsContact O-CG1 3.25Å; L82-I86 WeakPolarHBondContact O-CG1 3.42Å; L82-I86 PolarHBondContact O-N 3.09Å |
| 83 | T | 88.2 | Confident | 86.6 | Confident | 47 Ų | 47 | 56.5 Ų | 56.5 | 29% | 0.288 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -68.6 | -41.2 | -178.7 | -51.7 | 0 | 0 | 0 | 0 | 111.7 | M42 V79 S80 R85 I86 F87 | M42-T83 HydrophobicContact CE-CG2 3.73Å; M42-T83 HydrophobicContact CG-CG2 3.97Å; M42-T83 HydrophobicContact SD-CG2 3.74Å; V79-T83 VanDerWaalsContact O-CB 3.3Å; V79-T83 WeakPolarHBondContact O-CB 3.45Å; V79-T83 PolarHBondContact O-N 3.38Å; V79-T83 PolarHBondContact O-OG1 2.76Å; S80-T83 PolarHBondContact O-N 2.91Å; T83-R85 VanDerWaalsContact C-N 3.34Å; T83-R85 PolarHBondContact O-N 3.02Å; T83-I86 PolarHBondContact O-N 3.5Å; T83-F87 WeakPolarHBondContact O-CB 3.44Å; T83-F87 PolarHBondContact O-N 2.96Å |
| 84 | L | 88.1 | Confident | 85.4 | Confident | 27 Ų | 27 | 60.1 Ų | 60.1 | 14% | 0.141 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -64 | -38.7 | 174.3 | -72.4 | 168.9 | 0 | 0 | 0 | 111.9 | M42 F43 S80 F87 I88 | M42-L84 HydrophobicContact CB-CD2 4.15Å; M42-L84 HydrophobicContact CB-CG 4.24Å; F43-L84 HydrophobicContact CD1-CD1 3.78Å; F43-L84 HydrophobicContact CD1-CD2 4.28Å; F43-L84 HydrophobicContact CD2-CD2 4.27Å; F43-L84 HydrophobicContact CE1-CD1 3.62Å; F43-L84 HydrophobicContact CE1-CD2 3.88Å; F43-L84 HydrophobicContact CE1-CG 4.41Å; F43-L84 HydrophobicContact CE2-CD2 3.86Å; F43-L84 HydrophobicContact CG-CD2 4.45Å; F43-L84 HydrophobicContact CZ-CD1 4.26Å; F43-L84 HydrophobicContact CZ-CD2 3.65Å; S80-L84 VanDerWaalsContact O-CB 3.31Å; S80-L84 WeakPolarHBondContact O-CB 3.48Å; S80-L84 WeakPolarHBondContact O-CD1 3.34Å; S80-L84 WeakPolarHBondContact O-CG 3.36Å; S80-L84 PolarHBondContact O-N 3.13Å; L84-F87 PolarHBondContact O-N 3.22Å; L84-I88 WeakPolarHBondContact O-CG1 3.22Å; L84-I88 PolarHBondContact O-N 3.04Å |
| 85 | R | 87.5 | Confident | 84.1 | Confident | 148 Ų | 148 | 64.2 Ų | 64.2 | 56% | 0.558 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -61.9 | -49.2 | 173.4 | -76.7 | -72.6 | -169 | -173 | 1.4 | 111.6 | L81 L82 T83 F87 I88 S89 M96 | L81-R85 WeakPolarHBondContact O-CB 3.25Å; L81-R85 WeakPolarHBondContact O-CG 3.35Å; L81-R85 PolarHBondContact O-N 2.9Å; L82-R85 PolarHBondContact O-N 2.97Å; T83-R85 VanDerWaalsContact C-N 3.34Å; T83-R85 PolarHBondContact O-N 3.02Å; R85-F87 VanDerWaalsContact C-N 3.26Å; R85-F87 PolarHBondContact O-N 3.42Å; R85-I88 PolarHBondContact O-N 3.37Å; R85-S89 PolarHBondContact O-N 3.27Å; R85-S89 PolarHBondContact O-OG 2.8Å; R85-M96 HydrophobicContact CB-CE 4.32Å |
| 86 | I | 85.7 | Confident | 82.5 | Confident | 106 Ų | 106 | 66.9 Ų | 66.9 | 54% | 0.544 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -58.7 | -42.6 | 176.5 | -68.4 | 163.5 | 0 | 0 | 0 | 110 | L82 T83 I88 S89 T90 | L82-I86 VanDerWaalsContact O-CG1 3.25Å; L82-I86 WeakPolarHBondContact O-CG1 3.42Å; L82-I86 PolarHBondContact O-N 3.09Å; T83-I86 PolarHBondContact O-N 3.5Å; I86-I88 PolarHBondContact O-N 2.91Å; I86-S89 WeakPolarHBondContact O-CB 3.47Å; I86-S89 PolarHBondContact O-N 3.38Å; I86-T90 HydrophobicContact CG2-CG2 4.27Å; I86-T90 WeakPolarHBondContact O-CG2 3.4Å; I86-T90 PolarHBondContact O-N 3.19Å; I86-T90 PolarHBondContact O-OG1 2.92Å |
| 87 | F | 84.7 | Confident | 80.9 | Confident | 33 Ų | 33 | 77.2 Ų | 77.2 | 15% | 0.145 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -64.8 | -38.5 | 179.6 | -176.1 | -88 | 0 | 0 | 0 | 113.1 | I23 E35 A39 T83 L84 R85 T90 K91 | I23-F87 HydrophobicContact CD1-CD2 4.18Å; E35-F87 HydrophobicContact CB-CE2 4.49Å; E35-F87 HydrophobicContact CG-CE2 3.36Å; E35-F87 HydrophobicContact CG-CZ 3.33Å; E35-F87 WeakPolarHBondContact OE1-CZ 3.47Å; A39-F87 HydrophobicContact CB-CE1 4.16Å; A39-F87 HydrophobicContact CB-CE2 4.38Å; A39-F87 HydrophobicContact CB-CZ 3.82Å; T83-F87 WeakPolarHBondContact O-CB 3.44Å; T83-F87 PolarHBondContact O-N 2.96Å; L84-F87 PolarHBondContact O-N 3.22Å; R85-F87 VanDerWaalsContact C-N 3.26Å; R85-F87 PolarHBondContact O-N 3.42Å; F87-T90 WeakPolarHBondContact CA-OG1 3.37Å; F87-T90 PolarHBondContact O-OG1 3.25Å; F87-K91 WeakPolarHBondContact O-CB 3.14Å; F87-K91 PolarHBondContact O-N 3.09Å |
| 88 | I | 81.2 | Confident | 80.3 | Confident | 67 Ų | 67 | 80.1 Ų | 80.1 | 34% | 0.344 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -66.8 | -43.7 | 172.6 | -67.8 | 165.7 | 0 | 0 | 0 | 110.2 | L84 R85 I86 T90 K91 L92 Y95 | L84-I88 WeakPolarHBondContact O-CG1 3.22Å; L84-I88 PolarHBondContact O-N 3.04Å; R85-I88 PolarHBondContact O-N 3.37Å; I86-I88 PolarHBondContact O-N 2.91Å; I88-T90 VanDerWaalsContact C-N 3.33Å; I88-T90 PolarHBondContact O-N 2.82Å; I88-K91 PolarHBondContact O-N 3.41Å; I88-L92 PolarHBondContact O-N 2.82Å; I88-Y95 HydrophobicContact CG2-CD1 3.88Å; I88-Y95 HydrophobicContact CG2-CE1 4.41Å |
| 89 | S | 81.8 | Confident | 79.5 | Confident | 42 Ų | 42 | 79.3 Ų | 79.3 | 29% | 0.294 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -60.7 | -39.5 | 176.1 | -67.7 | 0 | 0 | 0 | 0 | 112.9 | R85 I86 L92 P93 M96 | R85-S89 PolarHBondContact O-N 3.27Å; R85-S89 PolarHBondContact O-OG 2.8Å; I86-S89 WeakPolarHBondContact O-CB 3.47Å; I86-S89 PolarHBondContact O-N 3.38Å; S89-L92 CarbonylContact O-C 3.34Å; S89-P93 WeakPolarHBondContact O-CA 3.47Å; S89-M96 WeakPolarHBondContact OG-CE 3.35Å |
| 90 | T | 77.6 | Confident | 78.8 | Confident | 55 Ų | 55 | 79.7 Ų | 79.7 | 34% | 0.337 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -73.6 | -32.2 | 178.5 | 54.2 | 0 | 0 | 0 | 0 | 111.9 | I23 V25 I86 F87 I88 | I23-T90 WeakPolarHBondContact CD1-OG1 3.22Å; V25-T90 WeakPolarHBondContact CG1-O 3.45Å; I86-T90 HydrophobicContact CG2-CG2 4.27Å; I86-T90 WeakPolarHBondContact O-CG2 3.4Å; I86-T90 PolarHBondContact O-N 3.19Å; I86-T90 PolarHBondContact O-OG1 2.92Å; F87-T90 WeakPolarHBondContact CA-OG1 3.37Å; F87-T90 PolarHBondContact O-OG1 3.25Å; I88-T90 VanDerWaalsContact C-N 3.33Å; I88-T90 PolarHBondContact O-N 2.82Å |
| 91 | K | 76 | Confident | 78.1 | Confident | 23 Ų | 23 | 84.1 Ų | 84.1 | 10% | 0.1 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -75.3 | -36 | 177 | -159.5 | 170.4 | -171.5 | 159.7 | 0 | 112.7 | W26 R27 L28 E35 F87 I88 | W26-K91 PolarHBondContact N-O 3.31Å; W26-K91 VanDerWaalsContact N-O 3.09Å; R27-K91 WeakPolarHBondContact O-CE 3.35Å; L28-K91 HydrophobicContact CD2-CD 4.48Å; E35-K91 WeakPolarHBondContact OE1-CE 3.47Å; E35-K91 IonicContact OE1-NZ 2.75Å; E35-K91 PolarHBondContact OE1-NZ 2.88Å; F87-K91 WeakPolarHBondContact O-CB 3.14Å; F87-K91 PolarHBondContact O-N 3.09Å; I88-K91 PolarHBondContact O-N 3.41Å |
| 92 | L | 77.5 | Confident | 77.3 | Confident | 45 Ų | 45 | 83.3 Ų | 83.3 | 24% | 0.236 | 42% | 0.419 | C | S | . | . | trans | -136.1 | 81.6 | -177.7 | -69.8 | 160.4 | 0 | 0 | 0 | 110.6 | L28 I88 S89 S94 Y95 | L28-L92 HydrophobicContact CD1-CD1 4.4Å; L28-L92 HydrophobicContact CD1-CD2 4.05Å; L28-L92 HydrophobicContact CD2-CD1 3.9Å; L28-L92 HydrophobicContact CD2-CG 4.32Å; L28-L92 HydrophobicContact CG-CD2 4.32Å; I88-L92 PolarHBondContact O-N 2.82Å; S89-L92 CarbonylContact O-C 3.34Å; L92-S94 PolarHBondContact O-N 2.89Å; L92-Y95 HydrophobicContact CD1-CD2 4.5Å; L92-Y95 HydrophobicContact CD1-CG 4.42Å; L92-Y95 WeakPolarHBondContact O-CB 3.41Å; L92-Y95 PolarHBondContact O-N 3.46Å | ||
| 93 | P | 69 | Low | 76.3 | Confident | 67 Ų | 67 | 81.5 Ų | 81.5 | 44% | 0.435 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -13 | -174.6 | 26.2 | -34.3 | 0 | 0 | 0 | 114 | W26 S89 | W26-P93 HydrophobicContact CH2-CG 3.34Å; W26-P93 HydrophobicContact CZ2-CG 3.25Å; W26-P93 HydrophobicContact CZ3-CG 4.02Å; S89-P93 WeakPolarHBondContact O-CA 3.47Å |
| 94 | S | 65.3 | Low | 75.5 | Confident | 76 Ų | 76 | 83.9 Ų | 83.9 | 53% | 0.531 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | 1.7 | 174.5 | -54.6 | 0 | 0 | 0 | 0 | 114.7 | L92 | L92-S94 PolarHBondContact O-N 2.89Š|
| 95 | Y | 64.6 | Low | 74.5 | Confident | 162 Ų | 162 | 88.3 Ų | 88.3 | 64% | 0.635 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | -18.4 | -173.4 | -171.3 | -101.9 | 0 | 0 | 0 | 114.5 | I88 L92 | I88-Y95 HydrophobicContact CG2-CD1 3.88Å; I88-Y95 HydrophobicContact CG2-CE1 4.41Å; L92-Y95 HydrophobicContact CD1-CD2 4.5Å; L92-Y95 HydrophobicContact CD1-CG 4.42Å; L92-Y95 WeakPolarHBondContact O-CB 3.41Å; L92-Y95 PolarHBondContact O-N 3.46Å |
| 96 | M | 59.9 | Low | 73.4 | Confident | 86 Ų | 86 | 83.3 Ų | 83.3 | 42% | 0.424 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.1 | 34.1 | -176.9 | -61.8 | -142.8 | -75.6 | 0 | 0 | 113.7 | R85 S89 | R85-M96 HydrophobicContact CB-CE 4.32Å; S89-M96 WeakPolarHBondContact OG-CE 3.35Å |
| 97 | Q | 57.7 | Low | 72.3 | Confident | 238 Ų | 238 | 81.3 Ų | 81.3 | 100% | 1.112 | 42% | 0.418 | S | S | * | . | trans | -74.1 | 0 | 160.1 | -69.6 | -171.9 | -23.9 | 0 | 0 | 109.8 |
Retrieved 97 of 97 residues in 93.6 ms
(Link to these results)