| 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 | 74.7 | Confident | 94 | Very high | 247 Ų | 247 | 143.5 Ų | 143.5 | 100% | 1.217 | 64% | 0.644 | S | S | * | * | 0 | 132.6 | 0 | -163.4 | -179.1 | -149.9 | 0 | 0 | 108.8 | |||||
| 2 | V | 89.6 | Confident | 94.3 | Very high | 127 Ų | 127 | 137.8 Ų | 137.8 | 77% | 0.77 | 63% | 0.634 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 137.4 | 179.4 | 64.4 | 0 | 0 | 0 | 0 | 111 | R4 | V2-R4 PolarHBondContact O-N 3.25Š|
| 3 | Q | 93 | Very high | 94.6 | Very high | 100 Ų | 100 | 140.2 Ų | 140.2 | 47% | 0.467 | 64% | 0.636 | S | S | . | * | P | Polyproline II helix | trans | -71.9 | 120.5 | 178.5 | -171.5 | -177.1 | 0.7 | 0 | 0 | 110.6 | ||
| 4 | R | 95.7 | Very high | 94.8 | Very high | 234 Ų | 234 | 138 Ų | 138 | 88% | 0.883 | 63% | 0.633 | S | S | * | * | P | Polyproline II helix | trans | -84.6 | 154.2 | 169.5 | -65.3 | -179.7 | -179.5 | 171.6 | -0.2 | 110.6 | V2 | V2-R4 PolarHBondContact O-N 3.25Š|
| 5 | L | 96.4 | Very high | 95 | Very high | 51 Ų | 51 | 132.3 Ų | 132.3 | 27% | 0.267 | 61% | 0.612 | S | S | . | * | trans | -128 | 147.9 | -172.9 | -62 | 164.4 | 0 | 0 | 0 | 111.3 | L22 I30 Y32 | L5-L22 HydrophobicContact CD1-CD2 3.2Å; L5-I30 HydrophobicContact CD1-CG2 3.9Å; L5-I30 HydrophobicContact CD2-CB 4.31Å; L5-I30 HydrophobicContact CD2-CG2 4.2Å; L5-I30 WeakPolarHBondContact CD2-O 3.48Å; L5-Y32 HydrophobicContact CB-CD2 4.1Å; L5-Y32 HydrophobicContact CB-CE2 3.46Å; L5-Y32 VanDerWaalsContact CB-CE2 3.46Å; L5-Y32 HydrophobicContact CD1-CE1 4.14Å; L5-Y32 HydrophobicContact CD1-CE2 4.31Å | ||
| 6 | T | 97.1 | Very high | 95.2 | Very high | 122 Ų | 122 | 128.4 Ų | 128.4 | 75% | 0.748 | 61% | 0.61 | S | S | * | * | trans | -117.9 | 151.3 | 175.6 | 54.7 | 0 | 0 | 0 | 0 | 110.9 | Y32 | T6-Y32 WeakPolarHBondContact O-CD2 3.46Š| ||
| 7 | Y | 97.8 | Very high | 95.3 | Very high | 81 Ų | 81 | 124.6 Ų | 124.6 | 32% | 0.318 | 60% | 0.601 | S | S | . | * | trans | -66.7 | 148.9 | 172.3 | -71.6 | -51.7 | 0 | 0 | 0 | 111.1 | S12 T20 Y32 | Y7-S12 WeakPolarHBondContact CE2-O 3.4Å; Y7-T20 HydrophobicContact CD1-CG2 4.3Å; Y7-T20 HydrophobicContact CE1-CG2 4.02Å; Y7-Y32 HydrophobicContact CD1-CD2 4.11Å; Y7-Y32 HydrophobicContact CD1-CE2 4.26Å; Y7-Y32 HydrophobicContact CE1-CD2 4.47Å; Y7-Y32 HydrophobicContact CE1-CE2 4.35Å | ||
| 8 | R | 96.3 | Very high | 95.4 | Very high | 177 Ų | 177 | 117.7 Ų | 117.7 | 67% | 0.668 | 57% | 0.567 | S | S | * | * | S | Bend | trans | -98 | 1.6 | -179.9 | -59.7 | 172.8 | 62.1 | -168 | 2.2 | 113.9 | Y34 | R8-Y34 HydrophobicContact CB-CE2 4.11Å; R8-Y34 PolarHBondContact N-OH 3.19Å |
| 9 | R | 97.1 | Very high | 95.6 | Very high | 119 Ų | 119 | 116.5 Ų | 116.5 | 45% | 0.449 | 56% | 0.559 | S | S | . | * | S | Bend | trans | -116.5 | 160.9 | -179.2 | -76.9 | 175.2 | 179.7 | 172.5 | -3.2 | 108.7 | L11 S17 Y34 | R9-L11 PolarHBondContact O-N 3.21Å; R9-S17 PolarHBondContact NH1-O 3.09Å; R9-Y34 WeakPolarHBondContact CB-OH 3.26Å; R9-Y34 VanDerWaalsContact CD-CZ 3.5Å; R9-Y34 HydrophobicContact CG-CE1 4.22Å; R9-Y34 HydrophobicContact CG-CE2 3.72Å; R9-Y34 WeakPolarHBondContact CG-OH 3.28Å; R9-Y34 PolarHBondContact N-OH 3.35Å |
| 10 | R | 97.9 | Very high | 95.7 | Very high | 258 Ų | 258 | 112.8 Ų | 112.8 | 97% | 0.974 | 54% | 0.544 | S | S | * | . | S | Bend | trans | -65.1 | -27.4 | 171.9 | -63.5 | -175.9 | -178.8 | -121.3 | 2.3 | 113.1 | S12 | R10-S12 PolarHBondContact O-N 3Š|
| 11 | L | 98.1 | Very high | 95.8 | Very high | 62 Ų | 62 | 114.9 Ų | 114.9 | 33% | 0.325 | 55% | 0.546 | S | S | . | . | trans | -70.7 | 108.4 | 177 | -178.5 | 64.7 | 0 | 0 | 0 | 110.5 | R9 Y13 N18 | R9-L11 PolarHBondContact O-N 3.21Å; L11-Y13 HydrophobicContact CD1-CD2 4.14Å; L11-N18 HydrophobicContact CD2-CB 3.79Å; L11-N18 HydrophobicContact CG-CB 4.46Å; L11-N18 PolarHBondContact O-ND2 3.41Å | ||
| 12 | S | 97.6 | Very high | 96.9 | Very high | 75 Ų | 75 | 108.2 Ų | 108.2 | 52% | 0.524 | 52% | 0.515 | S | S | . | . | trans | -85.4 | -21.4 | -177.8 | 51.3 | 0 | 0 | 0 | 0 | 114.2 | Y7 R10 | Y7-S12 WeakPolarHBondContact CE2-O 3.4Å; R10-S12 PolarHBondContact O-N 3Å | ||
| 13 | Y | 98.2 | Very high | 97.2 | Very high | 169 Ų | 169 | 104 Ų | 104 | 66% | 0.663 | 49% | 0.491 | S | S | * | . | S | Bend | trans | -83.7 | 151.5 | -173.9 | -54.8 | -72.5 | 0 | 0 | 0 | 113.9 | L11 T15 N18 | L11-Y13 HydrophobicContact CD1-CD2 4.14Å; Y13-T15 VanDerWaalsContact C-N 3.28Å; Y13-T15 PolarHBondContact O-N 3.13Å; Y13-N18 PolarHBondContact O-ND2 2.95Å |
| 14 | N | 97.8 | Very high | 97.4 | Very high | 110 Ų | 110 | 107.9 Ų | 107.9 | 59% | 0.588 | 50% | 0.501 | S | S | * | . | trans | -83.2 | 61.5 | 177.8 | -173.8 | 6 | 0 | 0 | 0 | 112.6 | K19 | N14-K19 PolarHBondContact OD1-NZ 3.05Š| ||
| 15 | T | 98.1 | Very high | 97.5 | Very high | 52 Ų | 52 | 98.9 Ų | 98.9 | 32% | 0.319 | 47% | 0.473 | S | S | . | . | trans | -85.5 | 169 | -179.8 | 68.6 | 0 | 0 | 0 | 0 | 112.4 | Y13 S17 N18 | Y13-T15 VanDerWaalsContact C-N 3.28Å; Y13-T15 PolarHBondContact O-N 3.13Å; T15-S17 PolarHBondContact O-N 3.41Å; T15-S17 VanDerWaalsContact O-N 3.14Å; T15-S17 PolarHBondContact OG1-OG 3.45Å; T15-N18 PolarHBondContact O-N 3.37Å | ||
| 16 | A | 97.6 | Very high | 97.6 | Very high | 70 Ų | 70 | 103.2 Ų | 103.2 | 58% | 0.579 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -18.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | K37 | A16-K37 WeakPolarHBondContact O-CE 3.41Š|
| 17 | S | 96.8 | Very high | 97.5 | Very high | 65 Ų | 65 | 100.1 Ų | 100.1 | 46% | 0.455 | 50% | 0.497 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -11.3 | 174.8 | 54.9 | 0 | 0 | 0 | 0 | 113.5 | R9 T15 | R9-S17 PolarHBondContact NH1-O 3.09Å; T15-S17 PolarHBondContact O-N 3.41Å; T15-S17 VanDerWaalsContact O-N 3.14Å; T15-S17 PolarHBondContact OG1-OG 3.45Å |
| 18 | N | 98.1 | Very high | 97.4 | Very high | 0 Ų | 0 | 101.3 Ų | 101.3 | 0% | 0 | 51% | 0.508 | C | S | . | . | trans | -111.4 | 21.1 | -172.9 | -148.6 | 28.7 | 0 | 0 | 0 | 114.3 | L11 Y13 T15 T20 Y34 | L11-N18 HydrophobicContact CD2-CB 3.79Å; L11-N18 HydrophobicContact CG-CB 4.46Å; L11-N18 PolarHBondContact O-ND2 3.41Å; Y13-N18 PolarHBondContact O-ND2 2.95Å; T15-N18 PolarHBondContact O-N 3.37Å; N18-T20 PolarHBondContact O-N 2.97Å; N18-Y34 WeakPolarHBondContact OD1-CE1 3.42Å | ||
| 19 | K | 98.1 | Very high | 97.4 | Very high | 95 Ų | 95 | 101.1 Ų | 101.1 | 41% | 0.413 | 51% | 0.508 | S | S | . | . | trans | -68.7 | 130.9 | 179.7 | -60.2 | -59.5 | -178.9 | -174 | 0 | 111.6 | N14 T35 | N14-K19 PolarHBondContact OD1-NZ 3.05Å; K19-T35 PolarHBondContact O-N 3.13Å; K19-T35 PolarHBondContact O-OG1 3.03Å | ||
| 20 | T | 98.1 | Very high | 97.4 | Very high | 42 Ų | 42 | 98.7 Ų | 98.7 | 26% | 0.258 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 161.2 | -176.7 | 51.7 | 0 | 0 | 0 | 0 | 111.9 | Y7 N18 Y32 L33 Y34 | Y7-T20 HydrophobicContact CD1-CG2 4.3Å; Y7-T20 HydrophobicContact CE1-CG2 4.02Å; N18-T20 PolarHBondContact O-N 2.97Å; T20-Y32 HydrophobicContact CG2-CD1 4.2Å; T20-Y32 HydrophobicContact CG2-CG 4.15Å; T20-Y32 WeakPolarHBondContact OG1-CD1 3.37Å; T20-L33 CarbonylContact C-O 3.55Å; T20-L33 WeakPolarHBondContact CA-O 3.43Å; T20-Y34 HydrophobicContact CG2-CD1 3.57Å; T20-Y34 HydrophobicContact CG2-CE1 3.57Å; T20-Y34 HydrophobicContact CG2-CG 4.4Å |
| 21 | R | 97.8 | Very high | 97.3 | Very high | 156 Ų | 156 | 88.4 Ų | 88.4 | 59% | 0.589 | 47% | 0.468 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 150.4 | 164 | 68.7 | 176.9 | -174.7 | 168.2 | 4.4 | 109.5 | L33 T35 | R21-L33 HydrophobicContact CG-CB 4.07Å; R21-L33 PolarHBondContact N-O 3.01Å; R21-L33 PolarHBondContact O-N 3.34Å; R21-T35 HydrophobicContact CB-CG2 3.9Å; R21-T35 HydrophobicContact CG-CG2 3.92Å |
| 22 | L | 97.7 | Very high | 97.3 | Very high | 107 Ų | 107 | 88 Ų | 88 | 56% | 0.56 | 46% | 0.463 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 140.9 | 172.9 | -62.1 | 179.1 | 0 | 0 | 0 | 110.1 | L5 I30 Y32 | L5-L22 HydrophobicContact CD1-CD2 3.2Å; L22-I30 HydrophobicContact CB-CG2 4.31Å; L22-I30 HydrophobicContact CD2-CG2 4.04Å; L22-Y32 HydrophobicContact CD2-CD1 3.67Å; L22-Y32 HydrophobicContact CD2-CE1 3.42Å; L22-Y32 VanDerWaalsContact CD2-CE1 3.42Å; L22-Y32 HydrophobicContact CG-CE1 4.46Å |
| 23 | S | 97.1 | Very high | 97.3 | Very high | 38 Ų | 38 | 87.2 Ų | 87.2 | 27% | 0.266 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 133.2 | 174.7 | -166.7 | 0 | 0 | 0 | 0 | 109.4 | V31 | S23-V31 PolarHBondContact N-O 2.97Å; S23-V31 PolarHBondContact O-N 3.05Å |
| 24 | R | 97.1 | Very high | 97.3 | Very high | 182 Ų | 182 | 81.5 Ų | 81.5 | 69% | 0.687 | 43% | 0.43 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 130.8 | 168.2 | -164.9 | 174.8 | -173.9 | 176.8 | -0.3 | 108.5 | N28 | R24-N28 VanDerWaalsContact CZ-OD1 3.25Å; R24-N28 PolarHBondContact NE-OD1 3.42Å; R24-N28 PolarHBondContact NH2-OD1 3.45Å |
| 25 | T | 96.5 | Very high | 97.3 | Very high | 45 Ų | 45 | 79.1 Ų | 79.1 | 28% | 0.276 | 42% | 0.42 | S | S | . | . | trans | -90.5 | 161.7 | 176.4 | 64 | 0 | 0 | 0 | 0 | 110.8 | G27 N28 R29 V31 | T25-G27 PolarHBondContact O-N 3.26Å; T25-N28 PolarHBondContact O-N 3.05Å; T25-R29 PolarHBondContact N-O 2.93Å; T25-R29 PolarHBondContact OG1-N 3.43Å; T25-R29 PolarHBondContact OG1-O 2.9Å; T25-V31 HydrophobicContact CG2-CB 4.43Å; T25-V31 HydrophobicContact CG2-CG1 3.99Å; T25-V31 HydrophobicContact CG2-CG2 3.55Å | ||
| 26 | P | 98.3 | Very high | 97.2 | Very high | 142 Ų | 142 | 85.4 Ų | 85.4 | 92% | 0.922 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | -33 | 173.5 | -27.3 | 36.1 | 0 | 0 | 0 | 113.4 | N28 | P26-N28 PolarHBondContact O-N 3.35Š|
| 27 | G | 96.5 | Very high | 97.2 | Very high | 58 Ų | 58 | 87.4 Ų | 87.4 | 60% | 0.598 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | 19.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | T25 R29 | T25-G27 PolarHBondContact O-N 3.26Å; G27-R29 VanDerWaalsContact C-N 3.33Å; G27-R29 PolarHBondContact O-N 3.24Å |
| 28 | N | 94.7 | Very high | 97.2 | Very high | 106 Ų | 106 | 90.3 Ų | 90.3 | 57% | 0.567 | 45% | 0.453 | S | S | * | . | S | Bend | trans | 56.6 | 36.9 | 177.4 | -163.1 | 25.6 | 0 | 0 | 0 | 115.1 | R24 T25 P26 | R24-N28 VanDerWaalsContact CZ-OD1 3.25Å; R24-N28 PolarHBondContact NE-OD1 3.42Å; R24-N28 PolarHBondContact NH2-OD1 3.45Å; T25-N28 PolarHBondContact O-N 3.05Å; P26-N28 PolarHBondContact O-N 3.35Å |
| 29 | R | 95.6 | Very high | 97.1 | Very high | 173 Ų | 173 | 91.3 Ų | 91.3 | 65% | 0.653 | 46% | 0.464 | S | S | * | . | trans | -117.8 | 143.5 | 175.7 | -62.6 | 176.3 | -175.1 | 170.4 | 0.6 | 110.6 | T25 G27 | T25-R29 PolarHBondContact N-O 2.93Å; T25-R29 PolarHBondContact OG1-N 3.43Å; T25-R29 PolarHBondContact OG1-O 2.9Å; G27-R29 VanDerWaalsContact C-N 3.33Å; G27-R29 PolarHBondContact O-N 3.24Å | ||
| 30 | I | 97.1 | Very high | 97 | Very high | 68 Ų | 68 | 94 Ų | 94 | 35% | 0.349 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 132.8 | 170.7 | -58.1 | 176.3 | 0 | 0 | 0 | 108.6 | L5 L22 | L5-I30 HydrophobicContact CD1-CG2 3.9Å; L5-I30 HydrophobicContact CD2-CB 4.31Å; L5-I30 HydrophobicContact CD2-CG2 4.2Å; L5-I30 WeakPolarHBondContact CD2-O 3.48Å; L22-I30 HydrophobicContact CB-CG2 4.31Å; L22-I30 HydrophobicContact CD2-CG2 4.04Å |
| 31 | V | 97.1 | Very high | 96.9 | Very high | 41 Ų | 41 | 92.6 Ų | 92.6 | 25% | 0.248 | 47% | 0.468 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 155.3 | 178.9 | -58.5 | 0 | 0 | 0 | 0 | 112.2 | S23 T25 | S23-V31 PolarHBondContact N-O 2.97Å; S23-V31 PolarHBondContact O-N 3.05Å; T25-V31 HydrophobicContact CG2-CB 4.43Å; T25-V31 HydrophobicContact CG2-CG1 3.99Å; T25-V31 HydrophobicContact CG2-CG2 3.55Å |
| 32 | Y | 98.1 | Very high | 96.8 | Very high | 54 Ų | 54 | 87.6 Ų | 87.6 | 21% | 0.212 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 128.2 | 168.2 | -71.9 | -53.9 | 0 | 0 | 0 | 111.8 | L5 T6 Y7 T20 L22 | L5-Y32 HydrophobicContact CB-CD2 4.1Å; L5-Y32 HydrophobicContact CB-CE2 3.46Å; L5-Y32 VanDerWaalsContact CB-CE2 3.46Å; L5-Y32 HydrophobicContact CD1-CE1 4.14Å; L5-Y32 HydrophobicContact CD1-CE2 4.31Å; T6-Y32 WeakPolarHBondContact O-CD2 3.46Å; Y7-Y32 HydrophobicContact CD1-CD2 4.11Å; Y7-Y32 HydrophobicContact CD1-CE2 4.26Å; Y7-Y32 HydrophobicContact CE1-CD2 4.47Å; Y7-Y32 HydrophobicContact CE1-CE2 4.35Å; T20-Y32 HydrophobicContact CG2-CD1 4.2Å; T20-Y32 HydrophobicContact CG2-CG 4.15Å; T20-Y32 WeakPolarHBondContact OG1-CD1 3.37Å; L22-Y32 HydrophobicContact CD2-CD1 3.67Å; L22-Y32 HydrophobicContact CD2-CE1 3.42Å; L22-Y32 VanDerWaalsContact CD2-CE1 3.42Å; L22-Y32 HydrophobicContact CG-CE1 4.46Å |
| 33 | L | 98.1 | Very high | 96.7 | Very high | 59 Ų | 59 | 89.2 Ų | 89.2 | 31% | 0.309 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 130 | 161.7 | -67.9 | -178.8 | 0 | 0 | 0 | 109.9 | T20 R21 T35 | T20-L33 CarbonylContact C-O 3.55Å; T20-L33 WeakPolarHBondContact CA-O 3.43Å; R21-L33 HydrophobicContact CG-CB 4.07Å; R21-L33 PolarHBondContact N-O 3.01Å; R21-L33 PolarHBondContact O-N 3.34Å; L33-T35 PolarHBondContact O-N 2.96Å |
| 34 | Y | 98.2 | Very high | 96.5 | Very high | 49 Ų | 49 | 87.8 Ų | 87.8 | 19% | 0.192 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 122.2 | 176.5 | -66.3 | -75.9 | 0 | 0 | 0 | 110.8 | R8 R9 N18 T20 | R8-Y34 HydrophobicContact CB-CE2 4.11Å; R8-Y34 PolarHBondContact N-OH 3.19Å; R9-Y34 WeakPolarHBondContact CB-OH 3.26Å; R9-Y34 VanDerWaalsContact CD-CZ 3.5Å; R9-Y34 HydrophobicContact CG-CE1 4.22Å; R9-Y34 HydrophobicContact CG-CE2 3.72Å; R9-Y34 WeakPolarHBondContact CG-OH 3.28Å; R9-Y34 PolarHBondContact N-OH 3.35Å; N18-Y34 WeakPolarHBondContact OD1-CE1 3.42Å; T20-Y34 HydrophobicContact CG2-CD1 3.57Å; T20-Y34 HydrophobicContact CG2-CE1 3.57Å; T20-Y34 HydrophobicContact CG2-CG 4.4Å |
| 35 | T | 97.1 | Very high | 96.4 | Very high | 60 Ų | 60 | 82.3 Ų | 82.3 | 37% | 0.368 | 44% | 0.442 | S | S | . | . | P | Polyproline II helix | trans | -78.8 | 151 | -179.8 | 61.8 | 0 | 0 | 0 | 0 | 110.8 | K19 R21 L33 | K19-T35 PolarHBondContact O-N 3.13Å; K19-T35 PolarHBondContact O-OG1 3.03Å; R21-T35 HydrophobicContact CB-CG2 3.9Å; R21-T35 HydrophobicContact CG-CG2 3.92Å; L33-T35 PolarHBondContact O-N 2.96Å |
| 36 | K | 96.8 | Very high | 96.1 | Very high | 184 Ų | 184 | 81.5 Ų | 81.5 | 80% | 0.8 | 44% | 0.437 | S | S | * | . | P | Polyproline II helix | trans | -83.7 | 147 | 170.4 | -56.9 | -59 | -175.5 | 179.5 | 0 | 108.9 | V38 | K36-V38 PolarHBondContact O-N 2.97Š|
| 37 | K | 97 | Very high | 95.6 | Very high | 111 Ų | 111 | 78.3 Ų | 78.3 | 48% | 0.483 | 43% | 0.43 | S | S | . | . | P | Polyproline II helix | trans | -60.4 | 133.2 | 173.6 | -68.5 | -173.9 | 177 | -176.8 | 0 | 109.9 | A16 G39 R60 | A16-K37 WeakPolarHBondContact O-CE 3.41Å; K37-G39 PolarHBondContact O-N 3.43Å; K37-R60 WeakPolarHBondContact O-CG 3.48Å |
| 38 | V | 96.6 | Very high | 95.3 | Very high | 127 Ų | 127 | 82.5 Ų | 82.5 | 77% | 0.77 | 44% | 0.437 | S | S | * | . | P | Polyproline II helix | trans | -61.3 | 133.9 | 179.5 | -66.3 | 0 | 0 | 0 | 0 | 111 | K36 | K36-V38 PolarHBondContact O-N 2.97Š|
| 39 | G | 96.1 | Very high | 95.2 | Very high | 21 Ų | 21 | 79.1 Ų | 79.1 | 22% | 0.216 | 42% | 0.422 | C | S | . | . | P | Polyproline II helix | trans | -79.8 | 165.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | K37 | K37-G39 PolarHBondContact O-N 3.43Š|
| 40 | K | 96 | Very high | 94.9 | Very high | 152 Ų | 152 | 77 Ų | 77 | 66% | 0.661 | 43% | 0.43 | S | S | * | . | trans | -130.8 | 136.4 | 175.3 | -76.5 | 174.2 | 172.6 | 179.9 | 0 | 108.2 | ||||
| 41 | A | 95.7 | Very high | 94.6 | Very high | 12 Ų | 12 | 75.8 Ų | 75.8 | 10% | 0.099 | 44% | 0.435 | C | S | . | . | P | Polyproline II helix | trans | -65.5 | 153.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | R52 A58 | A41-R52 HydrophobicContact CB-CB 4.02Å; A41-R52 WeakPolarHBondContact O-CD 3.45Å; A41-R52 PolarHBondContact O-NH1 3Å; A41-A58 HydrophobicContact CB-CB 4.15Å |
| 42 | P | 95.3 | Very high | 94.5 | Very high | 50 Ų | 50 | 79 Ų | 79 | 33% | 0.325 | 44% | 0.443 | S | S | . | . | P | Polyproline II helix | trans | -64.1 | 147.4 | -179.6 | 23.9 | -30.8 | 0 | 0 | 0 | 111.6 | R52 L53 I56 | P42-R52 WeakPolarHBondContact O-CA 3.33Å; P42-L53 HydrophobicContact CB-CD1 4.46Å; P42-L53 HydrophobicContact CG-CB 4.31Å; P42-L53 HydrophobicContact CG-CD1 4.15Å; P42-L53 PolarHBondContact O-N 3.5Å; P42-I56 HydrophobicContact CG-CB 4.4Å; P42-I56 HydrophobicContact CG-CD1 3.64Å; P42-I56 HydrophobicContact CG-CG2 4.15Å |
| 43 | K | 95.3 | Very high | 94.4 | Very high | 141 Ų | 141 | 77 Ų | 77 | 61% | 0.613 | 44% | 0.436 | S | S | * | . | B | Isolated β-bridge | trans | -79.5 | 155.8 | 167.9 | -67.5 | -173.3 | 177.8 | -175.6 | 0 | 109 | ||
| 44 | S | 94.3 | Very high | 94.3 | Very high | 8 Ų | 8 | 85.1 Ų | 85.1 | 6% | 0.056 | 46% | 0.462 | C | S | . | . | P | Polyproline II helix | trans | -68.5 | 135.3 | 174.1 | -175.7 | 0 | 0 | 0 | 0 | 110.6 | C46 G47 C83 | S44-C46 VanDerWaalsContact CB-SG 3.59Å; S44-C46 PolarHBondContact O-N 3.46Å; S44-C46 VanDerWaalsContact O-N 3.09Å; S44-C46 PolarHBondContact OG-SG 2.96Å; S44-G47 PolarHBondContact O-N 3.14Å; S44-C83 PolarHBondContact OG-N 3.38Å; S44-C83 VanDerWaalsContact OG-N 3.07Å |
| 45 | A | 93.5 | Very high | 94.1 | Very high | 68 Ų | 68 | 85.9 Ų | 85.9 | 56% | 0.562 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -7.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | G47 S81 | A45-G47 PolarHBondContact O-N 3.38Å; A45-S81 WeakPolarHBondContact CB-O 3.49Å; A45-S81 PolarHBondContact N-O 3.41Å |
| 46 | C | 90.6 | Very high | 94 | Very high | 27 Ų | 27 | 83.9 Ų | 83.9 | 18% | 0.182 | 47% | 0.472 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -16.5 | 176.7 | 62.7 | 0 | 0 | 0 | 0 | 113.9 | S44 I48 C86 | S44-C46 VanDerWaalsContact CB-SG 3.59Å; S44-C46 PolarHBondContact O-N 3.46Å; S44-C46 VanDerWaalsContact O-N 3.09Å; S44-C46 PolarHBondContact OG-SG 2.96Å; C46-I48 PolarHBondContact O-N 3.45Å; C46-C86 HydrophobicContact CB-CB 4.11Å |
| 47 | G | 88.1 | Confident | 94 | Very high | 75 Ų | 75 | 81.5 Ų | 81.5 | 77% | 0.773 | 46% | 0.458 | S | S | * | . | S | Bend | trans | 71.9 | -22.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | S44 A45 | S44-G47 PolarHBondContact O-N 3.14Å; A45-G47 PolarHBondContact O-N 3.38Å |
| 48 | I | 90.4 | Very high | 94 | Very high | 146 Ų | 146 | 78.8 Ų | 78.8 | 75% | 0.749 | 46% | 0.456 | S | S | * | . | S | Bend | trans | -85.7 | -37.7 | -175.5 | -56.6 | 160.4 | 0 | 0 | 0 | 111.8 | C46 P50 | C46-I48 PolarHBondContact O-N 3.45Å; I48-P50 WeakPolarHBondContact O-CD 3.38Å |
| 49 | C | 92.1 | Very high | 94 | Very high | 36 Ų | 36 | 74.9 Ų | 74.9 | 24% | 0.243 | 43% | 0.432 | C | S | . | . | trans | -80.4 | 123.8 | -175.7 | -65.5 | 0 | 0 | 0 | 0 | 111.4 | G51 C83 | C49-G51 VanDerWaalsContact C-N 3.27Å; C49-G51 PolarHBondContact O-N 2.93Å; C49-C83 VanDerWaalsContact SG-SG 3.62Å | ||
| 50 | P | 90.6 | Very high | 94.1 | Very high | 127 Ų | 127 | 79.9 Ų | 79.9 | 83% | 0.825 | 45% | 0.445 | S | S | * | . | trans | -73.2 | -22.4 | 177.2 | 29.1 | -34.7 | 0 | 0 | 0 | 112.6 | I48 | I48-P50 WeakPolarHBondContact O-CD 3.38Š| ||
| 51 | G | 90.7 | Very high | 94.1 | Very high | 44 Ų | 44 | 77.3 Ų | 77.3 | 45% | 0.454 | 44% | 0.443 | S | S | . | . | S | Bend | trans | -69.5 | 154.7 | -178 | 0 | 0 | 0 | 0 | 0 | 114.4 | C49 | C49-G51 VanDerWaalsContact C-N 3.27Å; C49-G51 PolarHBondContact O-N 2.93Å |
| 52 | R | 94.8 | Very high | 94.1 | Very high | 107 Ų | 107 | 84.1 Ų | 84.1 | 40% | 0.404 | 47% | 0.473 | S | S | . | . | B | Isolated β-bridge | trans | -90.8 | 155.1 | 172.6 | -64.3 | -177.9 | -175.1 | -78.9 | -8.7 | 111.4 | A41 P42 | A41-R52 HydrophobicContact CB-CB 4.02Å; A41-R52 WeakPolarHBondContact O-CD 3.45Å; A41-R52 PolarHBondContact O-NH1 3Å; P42-R52 WeakPolarHBondContact O-CA 3.33Å |
| 53 | L | 95.5 | Very high | 94.2 | Very high | 14 Ų | 14 | 85.1 Ų | 85.1 | 7% | 0.073 | 48% | 0.478 | C | S | . | . | P | Polyproline II helix | trans | -69.4 | 134.8 | 179.7 | -58.6 | -178.4 | 0 | 0 | 0 | 111.2 | P42 I56 G80 M82 C83 | P42-L53 HydrophobicContact CB-CD1 4.46Å; P42-L53 HydrophobicContact CG-CB 4.31Å; P42-L53 HydrophobicContact CG-CD1 4.15Å; P42-L53 PolarHBondContact O-N 3.5Å; L53-I56 HydrophobicContact CB-CD1 4.08Å; L53-I56 HydrophobicContact CD1-CD1 4.25Å; L53-G80 WeakPolarHBondContact CD1-O 3.39Å; L53-M82 VanDerWaalsContact CD2-C 3.43Å; L53-M82 WeakPolarHBondContact CD2-O 3.47Å; L53-C83 HydrophobicContact CD2-CB 3.95Å |
| 54 | R | 95.1 | Very high | 94.2 | Very high | 229 Ų | 229 | 81.3 Ų | 81.3 | 86% | 0.864 | 46% | 0.464 | S | S | * | . | S | Bend | trans | -85.1 | 157.7 | 175.7 | -60 | 179.1 | -175.7 | -173.2 | -0.3 | 110.2 | I56 | R54-I56 PolarHBondContact O-N 2.87Š|
| 55 | G | 94.5 | Very high | 94.3 | Very high | 64 Ų | 64 | 88.4 Ų | 88.4 | 66% | 0.66 | 50% | 0.499 | S | S | * | . | S | Bend | trans | 78.9 | 0.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 56 | I | 95.7 | Very high | 94.5 | Very high | 18 Ų | 18 | 95.6 Ų | 95.6 | 9% | 0.092 | 51% | 0.511 | C | S | . | . | S | Bend | trans | -113.1 | 133.4 | 175.9 | -59.3 | 167 | 0 | 0 | 0 | 109.5 | P42 L53 R54 A58 | P42-I56 HydrophobicContact CG-CB 4.4Å; P42-I56 HydrophobicContact CG-CD1 3.64Å; P42-I56 HydrophobicContact CG-CG2 4.15Å; L53-I56 HydrophobicContact CB-CD1 4.08Å; L53-I56 HydrophobicContact CD1-CD1 4.25Å; R54-I56 PolarHBondContact O-N 2.87Å; I56-A58 PolarHBondContact O-N 2.9Å |
| 57 | R | 95.9 | Very high | 94.8 | Very high | 134 Ų | 134 | 95.8 Ų | 95.8 | 51% | 0.506 | 51% | 0.51 | S | S | . | . | trans | -66.3 | 128 | -179.8 | -70.3 | -170.8 | 159.8 | -174.6 | -7.1 | 111.6 | V59 L67 | R57-V59 VanDerWaalsContact C-N 3.35Å; R57-V59 HydrophobicContact CB-CG1 4.17Å; R57-V59 PolarHBondContact O-N 3.35Å; R57-L67 HydrophobicContact CB-CD1 4.06Å; R57-L67 HydrophobicContact CG-CD1 4.49Å | ||
| 58 | A | 97.1 | Very high | 95.3 | Very high | 55 Ų | 55 | 94.8 Ų | 94.8 | 46% | 0.455 | 49% | 0.491 | S | S | . | . | trans | -79 | 77.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | A41 I56 | A41-A58 HydrophobicContact CB-CB 4.15Å; I56-A58 PolarHBondContact O-N 2.9Å | ||
| 59 | V | 97.3 | Very high | 95.5 | Very high | 44 Ų | 44 | 95.5 Ų | 95.5 | 27% | 0.267 | 49% | 0.489 | S | S | . | . | trans | -121.2 | 173.5 | -177.7 | -63.7 | 0 | 0 | 0 | 0 | 112.1 | R57 V63 L64 L67 | R57-V59 VanDerWaalsContact C-N 3.35Å; R57-V59 HydrophobicContact CB-CG1 4.17Å; R57-V59 PolarHBondContact O-N 3.35Å; V59-V63 HydrophobicContact CB-CB 4.22Å; V59-V63 HydrophobicContact CB-CG1 4.07Å; V59-V63 HydrophobicContact CG1-CG1 4.33Å; V59-V63 HydrophobicContact CG2-CB 4.35Å; V59-V63 HydrophobicContact CG2-CG1 4.25Å; V59-L64 HydrophobicContact CG2-CB 3.94Å; V59-L64 HydrophobicContact CG2-CD1 3.94Å; V59-L67 HydrophobicContact CG2-CD1 3.83Å | ||
| 60 | R | 97.1 | Very high | 95.8 | Very high | 126 Ų | 126 | 98.8 Ų | 98.8 | 48% | 0.475 | 51% | 0.508 | S | S | . | . | trans | -73.1 | 151.4 | 173.6 | -66.4 | -74.7 | -67.1 | 174.8 | 3 | 110.5 | K37 Q62 V63 L64 | K37-R60 WeakPolarHBondContact O-CG 3.48Å; R60-Q62 PolarHBondContact O-N 3.44Å; R60-V63 HydrophobicContact CB-CG2 4.38Å; R60-V63 WeakPolarHBondContact O-CA 3.24Å; R60-V63 WeakPolarHBondContact O-CB 3.39Å; R60-V63 PolarHBondContact O-N 3.49Å; R60-L64 PolarHBondContact O-N 3.43Å | ||
| 61 | P | 96.4 | Very high | 96.1 | Very high | 98 Ų | 98 | 96.9 Ų | 96.9 | 64% | 0.636 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -55.3 | -43.5 | -175.3 | -28.2 | 35.4 | 0 | 0 | 0 | 115 | V63 L64 M65 | P61-V63 VanDerWaalsContact C-N 3.3Å; P61-V63 PolarHBondContact O-N 3.26Å; P61-L64 VanDerWaalsContact O-CB 3.29Å; P61-L64 WeakPolarHBondContact O-CB 3.31Å; P61-L64 PolarHBondContact O-N 2.97Å; P61-L64 VanDerWaalsContact O-N 3.14Å; P61-M65 PolarHBondContact O-N 3Å |
| 62 | Q | 96.4 | Very high | 96.3 | Very high | 156 Ų | 156 | 98.3 Ų | 98.3 | 73% | 0.729 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -64.4 | -33.7 | 177 | -71.9 | 179.1 | -18.1 | 0 | 0 | 112.9 | R60 | R60-Q62 PolarHBondContact O-N 3.44Å |
| 63 | V | 96.8 | Very high | 96.4 | Very high | 71 Ų | 71 | 96.4 Ų | 96.4 | 43% | 0.43 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -72.3 | -39.2 | 174.2 | 179 | 0 | 0 | 0 | 0 | 109.9 | V59 R60 P61 M65 R66 L67 | V59-V63 HydrophobicContact CB-CB 4.22Å; V59-V63 HydrophobicContact CB-CG1 4.07Å; V59-V63 HydrophobicContact CG1-CG1 4.33Å; V59-V63 HydrophobicContact CG2-CB 4.35Å; V59-V63 HydrophobicContact CG2-CG1 4.25Å; R60-V63 HydrophobicContact CB-CG2 4.38Å; R60-V63 WeakPolarHBondContact O-CA 3.24Å; R60-V63 WeakPolarHBondContact O-CB 3.39Å; R60-V63 PolarHBondContact O-N 3.49Å; P61-V63 VanDerWaalsContact C-N 3.3Å; P61-V63 PolarHBondContact O-N 3.26Å; V63-M65 PolarHBondContact O-N 3.5Å; V63-R66 PolarHBondContact O-N 3.03Å; V63-R66 VanDerWaalsContact O-N 3.09Å; V63-L67 PolarHBondContact O-N 3.5Å |
| 64 | L | 96.3 | Very high | 96.5 | Very high | 60 Ų | 60 | 98.1 Ų | 98.1 | 31% | 0.314 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -58 | -38.5 | 175.2 | -168.7 | 70.7 | 0 | 0 | 0 | 111.4 | V59 R60 P61 R66 L67 K72 | V59-L64 HydrophobicContact CG2-CB 3.94Å; V59-L64 HydrophobicContact CG2-CD1 3.94Å; R60-L64 PolarHBondContact O-N 3.43Å; P61-L64 VanDerWaalsContact O-CB 3.29Å; P61-L64 WeakPolarHBondContact O-CB 3.31Å; P61-L64 PolarHBondContact O-N 2.97Å; P61-L64 VanDerWaalsContact O-N 3.14Å; L64-R66 VanDerWaalsContact C-N 3.28Å; L64-R66 PolarHBondContact O-N 3.05Å; L64-L67 HydrophobicContact CD1-CD1 4.23Å; L64-L67 PolarHBondContact O-N 3.1Å; L64-K72 HydrophobicContact CD1-CG 4Å; L64-K72 HydrophobicContact CG-CD 4.43Å; L64-K72 HydrophobicContact CG-CG 4.38Å; L64-K72 WeakPolarHBondContact O-CE 3.42Å; L64-K72 PolarHBondContact O-NZ 3.5Å |
| 65 | M | 96.2 | Very high | 96.6 | Very high | 158 Ų | 158 | 93.1 Ų | 93.1 | 78% | 0.778 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -57.3 | -41.8 | 175.8 | -169.3 | 178.8 | 179 | 0 | 0 | 111.9 | P61 V63 L67 K72 | P61-M65 PolarHBondContact O-N 3Å; V63-M65 PolarHBondContact O-N 3.5Å; M65-L67 PolarHBondContact O-N 3.2Å; M65-K72 PolarHBondContact O-NZ 3.1Å |
| 66 | R | 97.2 | Very high | 96.7 | Very high | 219 Ų | 219 | 94.2 Ų | 94.2 | 83% | 0.826 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -77.3 | -13.1 | -179.1 | -59.8 | 177.9 | -174 | -173.7 | -1.6 | 114.8 | V63 L64 | V63-R66 PolarHBondContact O-N 3.03Å; V63-R66 VanDerWaalsContact O-N 3.09Å; L64-R66 VanDerWaalsContact C-N 3.28Å; L64-R66 PolarHBondContact O-N 3.05Å |
| 67 | L | 96.8 | Very high | 96.7 | Very high | 31 Ų | 31 | 96.4 Ų | 96.4 | 16% | 0.162 | 49% | 0.492 | C | S | . | . | S | Bend | trans | -73 | 157.2 | 179.1 | -69.5 | 179.3 | 0 | 0 | 0 | 111.6 | R57 V59 V63 L64 M65 K71 K72 | R57-L67 HydrophobicContact CB-CD1 4.06Å; R57-L67 HydrophobicContact CG-CD1 4.49Å; V59-L67 HydrophobicContact CG2-CD1 3.83Å; V63-L67 PolarHBondContact O-N 3.5Å; L64-L67 HydrophobicContact CD1-CD1 4.23Å; L64-L67 PolarHBondContact O-N 3.1Å; M65-L67 PolarHBondContact O-N 3.2Å; L67-K71 HydrophobicContact CB-CB 4.42Å; L67-K71 HydrophobicContact CD2-CD 4.4Å; L67-K72 HydrophobicContact CB-CG 4.42Å; L67-K72 WeakPolarHBondContact O-CE 3.4Å; L67-K72 PolarHBondContact O-NZ 2.97Å |
| 68 | S | 97.7 | Very high | 96.7 | Very high | 53 Ų | 53 | 96.1 Ų | 96.1 | 37% | 0.371 | 49% | 0.492 | S | S | . | . | trans | -66.5 | 155.5 | 170.5 | 64.9 | 0 | 0 | 0 | 0 | 111.5 | T70 K71 | S68-T70 PolarHBondContact O-N 3.01Å; S68-T70 PolarHBondContact OG-OG1 2.69Å; S68-K71 PolarHBondContact O-N 2.91Å; S68-K71 VanDerWaalsContact O-N 3.15Å; S68-K71 WeakPolarHBondContact OG-CD 3.48Å; S68-K71 WeakPolarHBondContact OG-CG 3.22Å | ||
| 69 | K | 96.4 | Very high | 96.7 | Very high | 161 Ų | 161 | 94.4 Ų | 94.4 | 70% | 0.7 | 48% | 0.48 | S | S | * | . | G | 310 helix | trans | -55.7 | -46.1 | -176.8 | -173.2 | 175.9 | 179.7 | 179.8 | 0 | 113 | K71 K72 H73 | K69-K71 PolarHBondContact O-N 3.41Å; K69-K71 VanDerWaalsContact O-N 3.15Å; K69-K72 WeakPolarHBondContact O-CB 3.5Å; K69-K72 PolarHBondContact O-N 3.4Å; K69-H73 PolarHBondContact O-ND1 3.05Å |
| 70 | T | 96.8 | Very high | 96.6 | Very high | 106 Ų | 106 | 93.3 Ų | 93.3 | 65% | 0.65 | 48% | 0.477 | S | S | * | . | G | 310 helix | trans | -59.8 | -26.8 | -179.4 | 54.4 | 0 | 0 | 0 | 0 | 113.9 | S68 K72 H73 | S68-T70 PolarHBondContact O-N 3.01Å; S68-T70 PolarHBondContact OG-OG1 2.69Å; T70-K72 VanDerWaalsContact C-N 3.31Å; T70-K72 PolarHBondContact O-N 3.49Å; T70-H73 VanDerWaalsContact O-O 3.04Å |
| 71 | K | 96.4 | Very high | 96.5 | Very high | 87 Ų | 87 | 90 Ų | 90 | 38% | 0.378 | 47% | 0.473 | S | S | . | . | G | 310 helix | trans | -81.8 | -7.9 | 178.3 | -66 | 172.6 | -176.4 | 165.9 | 0 | 113.4 | L67 S68 K69 | L67-K71 HydrophobicContact CB-CB 4.42Å; L67-K71 HydrophobicContact CD2-CD 4.4Å; S68-K71 PolarHBondContact O-N 2.91Å; S68-K71 VanDerWaalsContact O-N 3.15Å; S68-K71 WeakPolarHBondContact OG-CD 3.48Å; S68-K71 WeakPolarHBondContact OG-CG 3.22Å; K69-K71 PolarHBondContact O-N 3.41Å; K69-K71 VanDerWaalsContact O-N 3.15Å |
| 72 | K | 96.6 | Very high | 96.5 | Very high | 73 Ų | 73 | 85.7 Ų | 85.7 | 32% | 0.317 | 44% | 0.444 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | -16.6 | -176.6 | -56.6 | -177.4 | -156.4 | -170.9 | 0 | 113.6 | L64 M65 L67 K69 T70 | L64-K72 HydrophobicContact CD1-CG 4Å; L64-K72 HydrophobicContact CG-CD 4.43Å; L64-K72 HydrophobicContact CG-CG 4.38Å; L64-K72 WeakPolarHBondContact O-CE 3.42Å; L64-K72 PolarHBondContact O-NZ 3.5Å; M65-K72 PolarHBondContact O-NZ 3.1Å; L67-K72 HydrophobicContact CB-CG 4.42Å; L67-K72 WeakPolarHBondContact O-CE 3.4Å; L67-K72 PolarHBondContact O-NZ 2.97Å; K69-K72 WeakPolarHBondContact O-CB 3.5Å; K69-K72 PolarHBondContact O-N 3.4Å; T70-K72 VanDerWaalsContact C-N 3.31Å; T70-K72 PolarHBondContact O-N 3.49Å |
| 73 | H | 96.9 | Very high | 96.4 | Very high | 67 Ų | 67 | 79.5 Ų | 79.5 | 31% | 0.31 | 42% | 0.418 | S | S | . | . | S | Bend | trans | -146.5 | 169.3 | -176.6 | 68 | 6.4 | 0 | 0 | 0 | 111.8 | K69 T70 | K69-H73 PolarHBondContact O-ND1 3.05Å; T70-H73 VanDerWaalsContact O-O 3.04Å |
| 74 | V | 97.1 | Very high | 96.4 | Very high | 50 Ų | 50 | 78.8 Ų | 78.8 | 30% | 0.303 | 42% | 0.42 | S | S | . | . | trans | -107 | 144.2 | 171.7 | -179.4 | 0 | 0 | 0 | 0 | 108.8 | R76 G79 | V74-R76 VanDerWaalsContact C-N 3.3Å; V74-R76 HydrophobicContact CG1-CG 4.28Å; V74-R76 PolarHBondContact O-N 3.29Å; V74-G79 WeakPolarHBondContact O-CA 3.48Å | ||
| 75 | S | 97.1 | Very high | 96.3 | Very high | 124 Ų | 124 | 82.9 Ų | 82.9 | 87% | 0.867 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -72.8 | 75.2 | 179.8 | 48.9 | 0 | 0 | 0 | 0 | 112.5 | ||
| 76 | R | 96.2 | Very high | 96.3 | Very high | 88 Ų | 88 | 76.3 Ų | 76.3 | 33% | 0.332 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -160.7 | 166.2 | 175.2 | 67.8 | -168.9 | -160.5 | 91.5 | 6.8 | 111.2 | V74 Y78 G79 M82 C83 A84 | V74-R76 VanDerWaalsContact C-N 3.3Å; V74-R76 HydrophobicContact CG1-CG 4.28Å; V74-R76 PolarHBondContact O-N 3.29Å; R76-Y78 PolarHBondContact O-N 3.34Å; R76-G79 WeakPolarHBondContact O-CA 3.49Å; R76-G79 PolarHBondContact O-N 3.3Å; R76-M82 PolarHBondContact NH2-O 3.13Å; R76-C83 PolarHBondContact NH2-O 3.41Å; R76-A84 VanDerWaalsContact NH2-N 3.12Å |
| 77 | A | 96.4 | Very high | 96.3 | Very high | 63 Ų | 63 | 66.4 Ų | 66.4 | 52% | 0.521 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | 132.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | G79 | A77-G79 PolarHBondContact O-N 2.95Š|
| 78 | Y | 96.4 | Very high | 96.3 | Very high | 129 Ų | 129 | 72.2 Ų | 72.2 | 51% | 0.506 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.2 | 25.7 | -172.3 | -56.8 | -88.4 | 0 | 0 | 0 | 114.2 | R76 G80 S81 M82 V87 | R76-Y78 PolarHBondContact O-N 3.34Å; Y78-G80 PolarHBondContact O-N 3.42Å; Y78-S81 PolarHBondContact O-N 3.4Å; Y78-S81 VanDerWaalsContact O-N 3.09Å; Y78-M82 PolarHBondContact O-N 3.25Å; Y78-V87 HydrophobicContact CD2-CG2 4.36Å; Y78-V87 HydrophobicContact CG-CG2 4.49Å |
| 79 | G | 96.1 | Very high | 96.3 | Very high | 19 Ų | 19 | 73 Ų | 73 | 20% | 0.196 | 39% | 0.388 | C | S | . | . | B | Isolated β-bridge | trans | -58.8 | 119.6 | 179 | 0 | 0 | 0 | 0 | 0 | 112.2 | V74 R76 A77 S81 | V74-G79 WeakPolarHBondContact O-CA 3.48Å; R76-G79 WeakPolarHBondContact O-CA 3.49Å; R76-G79 PolarHBondContact O-N 3.3Å; A77-G79 PolarHBondContact O-N 2.95Å; G79-S81 VanDerWaalsContact C-N 3.28Å; G79-S81 PolarHBondContact O-N 3.01Å |
| 80 | G | 94.7 | Very high | 96.3 | Very high | 20 Ų | 20 | 71 Ų | 71 | 21% | 0.206 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82.2 | -1.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | L53 Y78 | L53-G80 WeakPolarHBondContact CD1-O 3.39Å; Y78-G80 PolarHBondContact O-N 3.42Å |
| 81 | S | 95.9 | Very high | 96.3 | Very high | 58 Ų | 58 | 71.2 Ų | 71.2 | 41% | 0.406 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.8 | -39.5 | 168.6 | 175.8 | 0 | 0 | 0 | 0 | 111.4 | A45 Y78 G79 | A45-S81 WeakPolarHBondContact CB-O 3.49Å; A45-S81 PolarHBondContact N-O 3.41Å; Y78-S81 PolarHBondContact O-N 3.4Å; Y78-S81 VanDerWaalsContact O-N 3.09Å; G79-S81 VanDerWaalsContact C-N 3.28Å; G79-S81 PolarHBondContact O-N 3.01Å |
| 82 | M | 96 | Very high | 96.4 | Very high | 6 Ų | 6 | 73 Ų | 73 | 3% | 0.03 | 38% | 0.38 | C | S | . | . | B | Isolated β-bridge | trans | -123.6 | 159.4 | -177 | -155.6 | 172.6 | -68.6 | 0 | 0 | 112.3 | L53 R76 Y78 C86 V87 | L53-M82 VanDerWaalsContact CD2-C 3.43Å; L53-M82 WeakPolarHBondContact CD2-O 3.47Å; R76-M82 PolarHBondContact NH2-O 3.13Å; Y78-M82 PolarHBondContact O-N 3.25Å; M82-C86 HydrophobicContact CG-CB 3.94Å; M82-C86 HydrophobicContact SD-CB 3.88Å; M82-V87 HydrophobicContact CB-CG2 3.75Å; M82-V87 HydrophobicContact CG-CG2 3.94Å; M82-V87 HydrophobicContact SD-CG2 3.76Å |
| 83 | C | 95.6 | Very high | 96.5 | Very high | 27 Ų | 27 | 78 Ų | 78 | 18% | 0.182 | 40% | 0.397 | C | S | . | . | trans | -80.3 | 161.6 | 172.3 | 74.9 | 0 | 0 | 0 | 0 | 112 | S44 C49 L53 R76 C86 V87 | S44-C83 PolarHBondContact OG-N 3.38Å; S44-C83 VanDerWaalsContact OG-N 3.07Å; C49-C83 VanDerWaalsContact SG-SG 3.62Å; L53-C83 HydrophobicContact CD2-CB 3.95Å; R76-C83 PolarHBondContact NH2-O 3.41Å; C83-C86 PolarHBondContact SG-N 3.07Å; C83-C86 PolarHBondContact SG-SG 2.64Å; C83-V87 WeakPolarHBondContact O-CG2 3.43Å; C83-V87 PolarHBondContact O-N 3.18Å | ||
| 84 | A | 95.5 | Very high | 96.5 | Very high | 56 Ų | 56 | 77.4 Ų | 77.4 | 46% | 0.463 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -67.4 | -40.1 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | R76 V87 R88 | R76-A84 VanDerWaalsContact NH2-N 3.12Å; A84-V87 PolarHBondContact O-N 2.71Å; A84-R88 PolarHBondContact O-N 3.09Å; A84-R88 VanDerWaalsContact O-N 3.13Å |
| 85 | K | 95.1 | Very high | 96.6 | Very high | 145 Ų | 145 | 80.9 Ų | 80.9 | 63% | 0.63 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -57 | -55.7 | 177.1 | -176 | 173 | 179.3 | 172.4 | 0 | 111.6 | V87 R88 D89 | K85-V87 VanDerWaalsContact C-N 3.31Å; K85-V87 PolarHBondContact O-N 2.81Å; K85-R88 WeakPolarHBondContact O-CB 3.41Å; K85-R88 PolarHBondContact O-N 2.94Å; K85-R88 VanDerWaalsContact O-N 3.1Å; K85-D89 VanDerWaalsContact O-CG 3.29Å; K85-D89 PolarHBondContact O-N 2.97Å |
| 86 | C | 95.7 | Very high | 96.7 | Very high | 21 Ų | 21 | 80.2 Ų | 80.2 | 14% | 0.142 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -64.8 | -31.3 | -178.1 | -66.6 | 0 | 0 | 0 | 0 | 113.9 | C46 M82 C83 R90 | C46-C86 HydrophobicContact CB-CB 4.11Å; M82-C86 HydrophobicContact CG-CB 3.94Å; M82-C86 HydrophobicContact SD-CB 3.88Å; C83-C86 PolarHBondContact SG-N 3.07Å; C83-C86 PolarHBondContact SG-SG 2.64Å; C86-R90 VanDerWaalsContact O-CB 3.23Å; C86-R90 WeakPolarHBondContact O-CB 3.47Å; C86-R90 PolarHBondContact O-N 3.24Å |
| 87 | V | 96.8 | Very high | 96.8 | Very high | 10 Ų | 10 | 79.9 Ų | 79.9 | 6% | 0.061 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -65.6 | -44.4 | 174.1 | 172.5 | 0 | 0 | 0 | 0 | 110.3 | Y78 M82 C83 A84 K85 R90 I91 | Y78-V87 HydrophobicContact CD2-CG2 4.36Å; Y78-V87 HydrophobicContact CG-CG2 4.49Å; M82-V87 HydrophobicContact CB-CG2 3.75Å; M82-V87 HydrophobicContact CG-CG2 3.94Å; M82-V87 HydrophobicContact SD-CG2 3.76Å; C83-V87 WeakPolarHBondContact O-CG2 3.43Å; C83-V87 PolarHBondContact O-N 3.18Å; A84-V87 PolarHBondContact O-N 2.71Å; K85-V87 VanDerWaalsContact C-N 3.31Å; K85-V87 PolarHBondContact O-N 2.81Å; V87-R90 PolarHBondContact O-N 3.37Å; V87-I91 HydrophobicContact CG1-CD1 3.97Å; V87-I91 VanDerWaalsContact O-CG1 3.31Å; V87-I91 WeakPolarHBondContact O-CG1 3.23Å; V87-I91 PolarHBondContact O-N 3.38Å |
| 88 | R | 97.3 | Very high | 96.9 | Very high | 153 Ų | 153 | 81.5 Ų | 81.5 | 58% | 0.577 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -61.1 | -46.8 | 176.6 | -172.4 | -172.8 | -62.8 | 155.2 | -3.2 | 111.6 | A84 K85 R90 I91 K92 | A84-R88 PolarHBondContact O-N 3.09Å; A84-R88 VanDerWaalsContact O-N 3.13Å; K85-R88 WeakPolarHBondContact O-CB 3.41Å; K85-R88 PolarHBondContact O-N 2.94Å; K85-R88 VanDerWaalsContact O-N 3.1Å; R88-R90 VanDerWaalsContact C-N 3.29Å; R88-R90 PolarHBondContact O-N 2.91Å; R88-I91 PolarHBondContact O-N 2.87Å; R88-K92 WeakPolarHBondContact O-CG 3.28Å; R88-K92 PolarHBondContact O-N 2.97Å |
| 89 | D | 96.6 | Very high | 97 | Very high | 71 Ų | 71 | 79.3 Ų | 79.3 | 38% | 0.38 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -64.6 | -36.7 | -179.9 | -60.5 | -22.4 | 0 | 0 | 0 | 111.4 | K85 K92 R93 | K85-D89 VanDerWaalsContact O-CG 3.29Å; K85-D89 PolarHBondContact O-N 2.97Å; D89-K92 PolarHBondContact O-N 3.09Å; D89-R93 WeakPolarHBondContact O-CB 3.31Å; D89-R93 PolarHBondContact O-N 3.44Å |
| 90 | R | 96.7 | Very high | 97.1 | Very high | 118 Ų | 118 | 84 Ų | 84 | 45% | 0.445 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -64.9 | -42.2 | 174.8 | -175 | 179.1 | -69.6 | -160.2 | -8.7 | 112.2 | C86 V87 R88 R93 A94 | C86-R90 VanDerWaalsContact O-CB 3.23Å; C86-R90 WeakPolarHBondContact O-CB 3.47Å; C86-R90 PolarHBondContact O-N 3.24Å; V87-R90 PolarHBondContact O-N 3.37Å; R88-R90 VanDerWaalsContact C-N 3.29Å; R88-R90 PolarHBondContact O-N 2.91Å; R90-R93 PolarHBondContact O-N 3.4Å; R90-A94 VanDerWaalsContact O-CB 3.28Å; R90-A94 WeakPolarHBondContact O-CB 3.39Å; R90-A94 PolarHBondContact O-N 3.5Å |
| 91 | I | 97.6 | Very high | 97.3 | Very high | 110 Ų | 110 | 88.4 Ų | 88.4 | 56% | 0.564 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -61.9 | -50.6 | 176.3 | -68.2 | 164.2 | 0 | 0 | 0 | 109.9 | V87 R88 R93 A94 F95 | V87-I91 HydrophobicContact CG1-CD1 3.97Å; V87-I91 VanDerWaalsContact O-CG1 3.31Å; V87-I91 WeakPolarHBondContact O-CG1 3.23Å; V87-I91 PolarHBondContact O-N 3.38Å; R88-I91 PolarHBondContact O-N 2.87Å; I91-R93 PolarHBondContact O-N 2.98Å; I91-A94 PolarHBondContact O-N 2.8Å; I91-F95 PolarHBondContact O-N 3.14Å |
| 92 | K | 98.3 | Very high | 97.4 | Very high | 126 Ų | 126 | 90 Ų | 90 | 55% | 0.548 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -58.4 | -46.6 | 177.8 | -70.7 | -177.8 | 175.2 | -167.9 | 0 | 112.1 | R88 D89 F95 L96 | R88-K92 WeakPolarHBondContact O-CG 3.28Å; R88-K92 PolarHBondContact O-N 2.97Å; D89-K92 PolarHBondContact O-N 3.09Å; K92-F95 PolarHBondContact O-N 3.47Å; K92-L96 WeakPolarHBondContact O-CG 3.38Å; K92-L96 PolarHBondContact O-N 3.01Å |
| 93 | R | 98.1 | Very high | 97.5 | Very high | 177 Ų | 177 | 93 Ų | 93 | 67% | 0.668 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -63.5 | -45 | 179.6 | 179.5 | -179 | -71.2 | 172.8 | -3.9 | 111.8 | D89 R90 I91 F95 L96 I97 | D89-R93 WeakPolarHBondContact O-CB 3.31Å; D89-R93 PolarHBondContact O-N 3.44Å; R90-R93 PolarHBondContact O-N 3.4Å; I91-R93 PolarHBondContact O-N 2.98Å; R93-F95 VanDerWaalsContact C-N 3.33Å; R93-F95 PolarHBondContact O-N 3.02Å; R93-L96 PolarHBondContact O-N 3.39Å; R93-I97 HydrophobicContact CG-CD1 3.61Å; R93-I97 HydrophobicContact CG-CG1 4.31Å; R93-I97 WeakPolarHBondContact O-CB 3.39Å; R93-I97 VanDerWaalsContact O-CG1 3.24Å; R93-I97 WeakPolarHBondContact O-CG1 3.32Å; R93-I97 PolarHBondContact O-N 2.99Å |
| 94 | A | 98.3 | Very high | 97.6 | Very high | 55 Ų | 55 | 94.3 Ų | 94.3 | 46% | 0.455 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -60 | -46.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | R90 I91 I97 E98 | R90-A94 VanDerWaalsContact O-CB 3.28Å; R90-A94 WeakPolarHBondContact O-CB 3.39Å; R90-A94 PolarHBondContact O-N 3.5Å; I91-A94 PolarHBondContact O-N 2.8Å; A94-I97 PolarHBondContact O-N 3.15Å; A94-E98 WeakPolarHBondContact O-CG 3.37Å; A94-E98 PolarHBondContact O-N 3.02Å |
| 95 | F | 98.6 | Very high | 97.7 | Very high | 122 Ų | 122 | 99.4 Ų | 99.4 | 54% | 0.535 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -58.7 | -55.7 | 176.6 | 176.7 | -105.7 | 0 | 0 | 0 | 112.2 | I91 K92 R93 I97 E98 E99 | I91-F95 PolarHBondContact O-N 3.14Å; K92-F95 PolarHBondContact O-N 3.47Å; R93-F95 VanDerWaalsContact C-N 3.33Å; R93-F95 PolarHBondContact O-N 3.02Å; F95-I97 VanDerWaalsContact C-N 3.28Å; F95-I97 PolarHBondContact O-N 3.37Å; F95-E98 PolarHBondContact O-N 2.88Å; F95-E98 VanDerWaalsContact O-N 3.1Å; F95-E99 HydrophobicContact CD1-CG 4.29Å; F95-E99 HydrophobicContact CD2-CG 4.28Å; F95-E99 HydrophobicContact CE1-CG 3.83Å; F95-E99 HydrophobicContact CE2-CG 3.81Å; F95-E99 WeakPolarHBondContact CE2-OE1 3.37Å; F95-E99 HydrophobicContact CG-CG 4.5Å; F95-E99 HydrophobicContact CZ-CG 3.57Å; F95-E99 WeakPolarHBondContact O-CG 3.38Å; F95-E99 PolarHBondContact O-N 2.85Å |
| 96 | L | 98.6 | Very high | 97.8 | Very high | 110 Ų | 110 | 95.9 Ų | 95.9 | 58% | 0.576 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -62.9 | -32.5 | -176.6 | -68.7 | 174.2 | 0 | 0 | 0 | 113.5 | K92 R93 Q100 | K92-L96 WeakPolarHBondContact O-CG 3.38Å; K92-L96 PolarHBondContact O-N 3.01Å; R93-L96 PolarHBondContact O-N 3.39Å; L96-Q100 WeakPolarHBondContact O-CB 3.18Å; L96-Q100 PolarHBondContact O-N 2.9Å |
| 97 | I | 98.5 | Very high | 97.9 | Very high | 82 Ų | 82 | 99.6 Ų | 99.6 | 42% | 0.421 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -67.5 | -41.8 | 175.7 | -73.3 | 173.2 | 0 | 0 | 0 | 110.8 | R93 A94 F95 Q100 K101 | R93-I97 HydrophobicContact CG-CD1 3.61Å; R93-I97 HydrophobicContact CG-CG1 4.31Å; R93-I97 WeakPolarHBondContact O-CB 3.39Å; R93-I97 VanDerWaalsContact O-CG1 3.24Å; R93-I97 WeakPolarHBondContact O-CG1 3.32Å; R93-I97 PolarHBondContact O-N 2.99Å; A94-I97 PolarHBondContact O-N 3.15Å; F95-I97 VanDerWaalsContact C-N 3.28Å; F95-I97 PolarHBondContact O-N 3.37Å; I97-Q100 PolarHBondContact O-N 3.46Å; I97-K101 HydrophobicContact CG2-CD 4.41Å; I97-K101 VanDerWaalsContact O-CG 3.31Å; I97-K101 WeakPolarHBondContact O-CG 3.49Å; I97-K101 PolarHBondContact O-N 3.44Å |
| 98 | E | 98.5 | Very high | 97.9 | Very high | 96 Ų | 96 | 105.7 Ų | 105.7 | 45% | 0.449 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.6 | -42.5 | 177.1 | -68.3 | -51.8 | 131.6 | 0 | 0 | 111.7 | A94 F95 Q100 K101 I102 | A94-E98 WeakPolarHBondContact O-CG 3.37Å; A94-E98 PolarHBondContact O-N 3.02Å; F95-E98 PolarHBondContact O-N 2.88Å; F95-E98 VanDerWaalsContact O-N 3.1Å; E98-Q100 VanDerWaalsContact C-N 3.34Å; E98-Q100 PolarHBondContact O-N 3.02Å; E98-K101 WeakPolarHBondContact O-CB 3.29Å; E98-K101 PolarHBondContact O-N 3.38Å; E98-K101 VanDerWaalsContact O-N 3.13Å; E98-K101 IonicContact OE1-NZ 2.69Å; E98-K101 PolarHBondContact OE1-NZ 2.96Å; E98-K101 IonicContact OE2-NZ 3.81Å; E98-I102 WeakPolarHBondContact O-CG1 3.5Å; E98-I102 PolarHBondContact O-N 3.27Å |
| 99 | E | 98.4 | Very high | 97.8 | Very high | 83 Ų | 83 | 100.9 Ų | 100.9 | 39% | 0.388 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -57.9 | -46 | 173.4 | -69 | -57.9 | 133.1 | 0 | 0 | 111.6 | F95 K101 I102 V103 | F95-E99 HydrophobicContact CD1-CG 4.29Å; F95-E99 HydrophobicContact CD2-CG 4.28Å; F95-E99 HydrophobicContact CE1-CG 3.83Å; F95-E99 HydrophobicContact CE2-CG 3.81Å; F95-E99 WeakPolarHBondContact CE2-OE1 3.37Å; F95-E99 HydrophobicContact CG-CG 4.5Å; F95-E99 HydrophobicContact CZ-CG 3.57Å; F95-E99 WeakPolarHBondContact O-CG 3.38Å; F95-E99 PolarHBondContact O-N 2.85Å; E99-K101 VanDerWaalsContact C-N 3.3Å; E99-K101 PolarHBondContact O-N 3.4Å; E99-I102 PolarHBondContact O-N 3.15Å; E99-I102 VanDerWaalsContact O-N 3.14Å; E99-V103 WeakPolarHBondContact O-CG2 3.34Å; E99-V103 PolarHBondContact O-N 3.35Å |
| 100 | Q | 98.3 | Very high | 97.8 | Very high | 117 Ų | 117 | 102.7 Ų | 102.7 | 55% | 0.547 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.7 | -39.3 | 176.7 | -174.1 | 63.4 | 30.1 | 0 | 0 | 112 | L96 I97 E98 I102 V103 V104 | L96-Q100 WeakPolarHBondContact O-CB 3.18Å; L96-Q100 PolarHBondContact O-N 2.9Å; I97-Q100 PolarHBondContact O-N 3.46Å; E98-Q100 VanDerWaalsContact C-N 3.34Å; E98-Q100 PolarHBondContact O-N 3.02Å; Q100-I102 VanDerWaalsContact C-N 3.34Å; Q100-V103 PolarHBondContact O-N 3.02Å; Q100-V104 WeakPolarHBondContact O-CB 3.43Å; Q100-V104 VanDerWaalsContact O-CG2 3.26Å; Q100-V104 WeakPolarHBondContact O-CG2 3.05Å; Q100-V104 PolarHBondContact O-N 3.48Å |
| 101 | K | 98.3 | Very high | 97.7 | Very high | 114 Ų | 114 | 99.3 Ų | 99.3 | 50% | 0.496 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.5 | -40.3 | 175.8 | -73.7 | 170.4 | -177.5 | 175.1 | 0 | 111.8 | I97 E98 E99 V104 K105 | I97-K101 HydrophobicContact CG2-CD 4.41Å; I97-K101 VanDerWaalsContact O-CG 3.31Å; I97-K101 WeakPolarHBondContact O-CG 3.49Å; I97-K101 PolarHBondContact O-N 3.44Å; E98-K101 WeakPolarHBondContact O-CB 3.29Å; E98-K101 PolarHBondContact O-N 3.38Å; E98-K101 VanDerWaalsContact O-N 3.13Å; E98-K101 IonicContact OE1-NZ 2.69Å; E98-K101 PolarHBondContact OE1-NZ 2.96Å; E98-K101 IonicContact OE2-NZ 3.81Å; E99-K101 VanDerWaalsContact C-N 3.3Å; E99-K101 PolarHBondContact O-N 3.4Å; K101-V104 PolarHBondContact O-N 3.14Å; K101-K105 WeakPolarHBondContact O-CB 3.45Å; K101-K105 PolarHBondContact O-N 3.09Å |
| 102 | I | 97.9 | Very high | 97.6 | Very high | 90 Ų | 90 | 100.8 Ų | 100.8 | 46% | 0.462 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.5 | -48.5 | 176.9 | -66.4 | 167.4 | 0 | 0 | 0 | 110 | E98 E99 Q100 V104 K105 V106 | E98-I102 WeakPolarHBondContact O-CG1 3.5Å; E98-I102 PolarHBondContact O-N 3.27Å; E99-I102 PolarHBondContact O-N 3.15Å; E99-I102 VanDerWaalsContact O-N 3.14Å; Q100-I102 VanDerWaalsContact C-N 3.34Å; I102-V104 VanDerWaalsContact C-N 3.33Å; I102-V104 PolarHBondContact O-N 3.27Å; I102-K105 WeakPolarHBondContact O-CB 2.78Å; I102-K105 PolarHBondContact O-N 3.34Å; I102-V106 HydrophobicContact CG2-CG2 4.47Å; I102-V106 WeakPolarHBondContact O-CG2 3.49Å; I102-V106 PolarHBondContact O-N 2.98Å |
| 103 | V | 98.2 | Very high | 97.4 | Very high | 69 Ų | 69 | 97.9 Ų | 97.9 | 42% | 0.418 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -57.3 | -46.8 | 177.3 | 173.1 | 0 | 0 | 0 | 0 | 111 | E99 Q100 K105 V106 L107 | E99-V103 WeakPolarHBondContact O-CG2 3.34Å; E99-V103 PolarHBondContact O-N 3.35Å; Q100-V103 PolarHBondContact O-N 3.02Å; V103-K105 VanDerWaalsContact C-N 3.28Å; V103-K105 PolarHBondContact O-N 3.37Å; V103-V106 PolarHBondContact O-N 2.92Å; V103-L107 HydrophobicContact CG1-CD1 3.98Å; V103-L107 HydrophobicContact CG1-CG 4.36Å; V103-L107 WeakPolarHBondContact O-CG 3.47Å; V103-L107 PolarHBondContact O-N 2.92Å |
| 104 | V | 98.1 | Very high | 97.1 | Very high | 56 Ų | 56 | 96.6 Ų | 96.6 | 34% | 0.339 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.7 | -37.6 | 176.7 | 169.9 | 0 | 0 | 0 | 0 | 111.7 | Q100 K101 I102 K108 | Q100-V104 WeakPolarHBondContact O-CB 3.43Å; Q100-V104 VanDerWaalsContact O-CG2 3.26Å; Q100-V104 WeakPolarHBondContact O-CG2 3.05Å; Q100-V104 PolarHBondContact O-N 3.48Å; K101-V104 PolarHBondContact O-N 3.14Å; I102-V104 VanDerWaalsContact C-N 3.33Å; I102-V104 PolarHBondContact O-N 3.27Å; V104-K108 HydrophobicContact CG1-CD 4.23Å; V104-K108 WeakPolarHBondContact O-CB 3.42Å; V104-K108 VanDerWaalsContact O-CG 3.28Å; V104-K108 WeakPolarHBondContact O-CG 3.18Å; V104-K108 PolarHBondContact O-N 3.22Å; V104-K108 VanDerWaalsContact O-N 3.09Å |
| 105 | K | 97.8 | Very high | 96.5 | Very high | 162 Ų | 162 | 102.9 Ų | 102.9 | 70% | 0.704 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -66.3 | -43.9 | 176.7 | -172.4 | -179.5 | 178.8 | -178 | 0 | 111.7 | K101 I102 V103 K108 A109 | K101-K105 WeakPolarHBondContact O-CB 3.45Å; K101-K105 PolarHBondContact O-N 3.09Å; I102-K105 WeakPolarHBondContact O-CB 2.78Å; I102-K105 PolarHBondContact O-N 3.34Å; V103-K105 VanDerWaalsContact C-N 3.28Å; V103-K105 PolarHBondContact O-N 3.37Å; K105-K108 PolarHBondContact O-N 2.7Å; K105-A109 PolarHBondContact O-N 3.46Å |
| 106 | V | 97.6 | Very high | 95.4 | Very high | 72 Ų | 72 | 101.9 Ų | 101.9 | 44% | 0.436 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65 | -45.8 | 178.1 | 175.5 | 0 | 0 | 0 | 0 | 111 | I102 V103 K108 A109 Q110 | I102-V106 HydrophobicContact CG2-CG2 4.47Å; I102-V106 WeakPolarHBondContact O-CG2 3.49Å; I102-V106 PolarHBondContact O-N 2.98Å; V103-V106 PolarHBondContact O-N 2.92Å; V106-K108 VanDerWaalsContact C-N 3.3Å; V106-K108 PolarHBondContact O-N 3Å; V106-A109 PolarHBondContact O-N 3Å; V106-A109 VanDerWaalsContact O-N 3.13Å; V106-Q110 HydrophobicContact CG1-CG 4.38Å; V106-Q110 WeakPolarHBondContact O-CG 3.33Å; V106-Q110 PolarHBondContact O-N 2.98Å |
| 107 | L | 97.4 | Very high | 93.7 | Very high | 98 Ų | 98 | 107.6 Ų | 107.6 | 51% | 0.513 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -59.8 | -40.5 | 177 | -71.3 | 174.9 | 0 | 0 | 0 | 112.1 | V103 Q110 A111 | V103-L107 HydrophobicContact CG1-CD1 3.98Å; V103-L107 HydrophobicContact CG1-CG 4.36Å; V103-L107 WeakPolarHBondContact O-CG 3.47Å; V103-L107 PolarHBondContact O-N 2.92Å; L107-Q110 PolarHBondContact O-N 3.36Å; L107-A111 WeakPolarHBondContact O-CB 2.92Å; L107-A111 PolarHBondContact O-N 2.97Å |
| 108 | K | 96.7 | Very high | 93.4 | Very high | 138 Ų | 138 | 108.9 Ų | 108.9 | 60% | 0.6 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -63.1 | -42.4 | 174.4 | -75.9 | 176 | -179.6 | -176.1 | 0 | 112.3 | V104 K105 V106 A111 Q112 | V104-K108 HydrophobicContact CG1-CD 4.23Å; V104-K108 WeakPolarHBondContact O-CB 3.42Å; V104-K108 VanDerWaalsContact O-CG 3.28Å; V104-K108 WeakPolarHBondContact O-CG 3.18Å; V104-K108 PolarHBondContact O-N 3.22Å; V104-K108 VanDerWaalsContact O-N 3.09Å; K105-K108 PolarHBondContact O-N 2.7Å; V106-K108 VanDerWaalsContact C-N 3.3Å; V106-K108 PolarHBondContact O-N 3Å; K108-A111 PolarHBondContact O-N 2.88Å; K108-Q112 WeakPolarHBondContact O-CG 3.41Å; K108-Q112 PolarHBondContact O-N 2.96Å |
| 109 | A | 96 | Very high | 93.2 | Very high | 53 Ų | 53 | 109.5 Ų | 109.5 | 44% | 0.438 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -65.6 | -41.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | K105 V106 Q112 S113 | K105-A109 PolarHBondContact O-N 3.46Å; V106-A109 PolarHBondContact O-N 3Å; V106-A109 VanDerWaalsContact O-N 3.13Å; A109-Q112 PolarHBondContact O-N 3.4Å; A109-S113 PolarHBondContact O-N 3.04Å |
| 110 | Q | 95.5 | Very high | 92.9 | Very high | 108 Ų | 108 | 111 Ų | 111 | 51% | 0.505 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -62.6 | -44.8 | 175 | -72.7 | 177.4 | -16.7 | 0 | 0 | 111.7 | V106 L107 Q112 S113 Q114 | V106-Q110 HydrophobicContact CG1-CG 4.38Å; V106-Q110 WeakPolarHBondContact O-CG 3.33Å; V106-Q110 PolarHBondContact O-N 2.98Å; L107-Q110 PolarHBondContact O-N 3.36Å; Q110-Q112 VanDerWaalsContact C-N 3.32Å; Q110-Q112 PolarHBondContact O-N 2.99Å; Q110-S113 PolarHBondContact O-N 3.15Å; Q110-Q114 WeakPolarHBondContact O-CG 3.39Å; Q110-Q114 PolarHBondContact O-N 3.28Å |
| 111 | A | 95.3 | Very high | 92.6 | Very high | 47 Ų | 47 | 110.6 Ų | 110.6 | 39% | 0.388 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -63.4 | -35.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | L107 K108 K115 | L107-A111 WeakPolarHBondContact O-CB 2.92Å; L107-A111 PolarHBondContact O-N 2.97Å; K108-A111 PolarHBondContact O-N 2.88Å; A111-K115 WeakPolarHBondContact O-CG 3.43Å; A111-K115 PolarHBondContact O-N 3.17Å |
| 112 | Q | 94.9 | Very high | 92.2 | Very high | 141 Ų | 141 | 110.4 Ų | 110.4 | 66% | 0.659 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -67.4 | -44.2 | 173.7 | -76.6 | 176 | -25.4 | 0 | 0 | 111.9 | K108 A109 Q110 Q114 K115 S116 | K108-Q112 WeakPolarHBondContact O-CG 3.41Å; K108-Q112 PolarHBondContact O-N 2.96Å; A109-Q112 PolarHBondContact O-N 3.4Å; Q110-Q112 VanDerWaalsContact C-N 3.32Å; Q110-Q112 PolarHBondContact O-N 2.99Å; Q112-Q114 VanDerWaalsContact C-N 3.31Å; Q112-Q114 PolarHBondContact O-N 3.32Å; Q112-K115 PolarHBondContact O-N 3.01Å; Q112-S116 PolarHBondContact O-N 3.01Å; Q112-S116 PolarHBondContact O-OG 3.24Å |
| 113 | S | 93.6 | Very high | 91.8 | Very high | 66 Ų | 66 | 111.8 Ų | 111.8 | 46% | 0.462 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -63.4 | -34.6 | 177.7 | 177 | 0 | 0 | 0 | 0 | 113.1 | A109 Q110 S116 | A109-S113 PolarHBondContact O-N 3.04Å; Q110-S113 PolarHBondContact O-N 3.15Å; S113-S116 PolarHBondContact O-OG 2.87Å |
| 114 | Q | 91.8 | Very high | 91.4 | Very high | 149 Ų | 149 | 114.9 Ų | 114.9 | 70% | 0.696 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -70.9 | -32.5 | 175.1 | -74.3 | 178.9 | -9.6 | 0 | 0 | 113 | Q110 Q112 | Q110-Q114 WeakPolarHBondContact O-CG 3.39Å; Q110-Q114 PolarHBondContact O-N 3.28Å; Q112-Q114 VanDerWaalsContact C-N 3.31Å; Q112-Q114 PolarHBondContact O-N 3.32Å |
| 115 | K | 86.8 | Confident | 90.8 | Very high | 188 Ų | 188 | 119.4 Ų | 119.4 | 82% | 0.817 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -75 | -25.1 | 176.8 | -77.8 | -175.8 | 177.6 | -171.9 | 0 | 114 | A111 Q112 | A111-K115 WeakPolarHBondContact O-CG 3.43Å; A111-K115 PolarHBondContact O-N 3.17Å; Q112-K115 PolarHBondContact O-N 3.01Å |
| 116 | S | 75.2 | Confident | 90.3 | Very high | 100 Ų | 100 | 115.8 Ų | 115.8 | 70% | 0.699 | 60% | 0.601 | S | S | * | * | trans | -84.8 | -11.8 | 178.7 | 59.3 | 0 | 0 | 0 | 0 | 113.7 | Q112 S113 | Q112-S116 PolarHBondContact O-N 3.01Å; Q112-S116 PolarHBondContact O-OG 3.24Å; S113-S116 PolarHBondContact O-OG 2.87Å | ||
| 117 | K | 62.6 | Low | 89.6 | Confident | 230 Ų | 230 | 119.8 Ų | 119.8 | 100% | 1 | 62% | 0.616 | S | S | * | * | trans | -89.2 | 0 | 169.4 | -80.3 | -173.4 | 174.5 | -176 | 0 | 109.3 |
Retrieved 117 of 117 residues in 200.5 ms
(Link to these results)