| 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 | 71.4 | Confident | 89.9 | Confident | 206 Ų | 206 | 134 Ų | 134 | 100% | 1.015 | 62% | 0.616 | S | S | * | * | 0 | 129.3 | 0 | -169.7 | 179.5 | -167.4 | 0 | 0 | 109.6 | |||||
| 2 | A | 83.8 | Confident | 90.3 | Very high | 87 Ų | 87 | 129.3 Ų | 129.3 | 72% | 0.719 | 61% | 0.609 | S | S | * | * | trans | -68 | 140.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | R4 | A2-R4 PolarHBondContact O-N 2.76Å; A2-R4 VanDerWaalsContact O-N 3.1Å | ||
| 3 | K | 86.1 | Confident | 90.8 | Very high | 127 Ų | 127 | 132.2 Ų | 132.2 | 55% | 0.552 | 61% | 0.613 | S | S | * | * | trans | -64.7 | 111.1 | 177.5 | -71.5 | -177.8 | 179.9 | 177.7 | 0 | 109.7 | N28 L30 | K3-N28 PolarHBondContact NZ-O 2.93Å; K3-L30 HydrophobicContact CB-CD1 3.94Å; K3-L30 HydrophobicContact CD-CD1 4.48Å; K3-L30 HydrophobicContact CD-CG 4.35Å | ||
| 4 | R | 89.7 | Confident | 91.1 | Very high | 219 Ų | 219 | 132.1 Ų | 132.1 | 83% | 0.826 | 62% | 0.619 | S | S | * | * | trans | -78.5 | 154.7 | 172.9 | -65.5 | -178.5 | -179.9 | 178.3 | -0 | 110.5 | A2 | A2-R4 PolarHBondContact O-N 2.76Å; A2-R4 VanDerWaalsContact O-N 3.1Å | ||
| 5 | L | 91.8 | Very high | 91.4 | Very high | 43 Ų | 43 | 126.5 Ų | 126.5 | 23% | 0.225 | 60% | 0.597 | C | S | . | * | trans | -124.4 | 145.5 | -176.4 | -63.9 | 178 | 0 | 0 | 0 | 111.4 | V22 L30 Y32 | L5-V22 HydrophobicContact CD1-CB 4.31Å; L5-V22 HydrophobicContact CD1-CG1 3.82Å; L5-V22 HydrophobicContact CD1-CG2 3.68Å; L5-L30 HydrophobicContact CD1-CB 4.45Å; L5-L30 VanDerWaalsContact CD2-C 3.47Å; L5-L30 HydrophobicContact CD2-CB 3.73Å; L5-L30 WeakPolarHBondContact CD2-O 3.4Å; L5-L30 HydrophobicContact CG-CB 4.49Å; L5-Y32 HydrophobicContact CB-CD2 3.89Å; L5-Y32 HydrophobicContact CB-CE1 4.34Å; L5-Y32 HydrophobicContact CB-CE2 3.33Å; L5-Y32 HydrophobicContact CD1-CD1 3.92Å; L5-Y32 HydrophobicContact CD1-CD2 4.35Å; L5-Y32 HydrophobicContact CD1-CE1 3.68Å; L5-Y32 HydrophobicContact CD1-CE2 4.14Å; L5-Y32 HydrophobicContact CD1-CG 4.26Å; L5-Y32 HydrophobicContact CG-CE2 4.38Å | ||
| 6 | V | 93.7 | Very high | 91.6 | Very high | 126 Ų | 126 | 125.3 Ų | 125.3 | 76% | 0.764 | 60% | 0.604 | S | S | * | * | trans | -105.1 | 143.5 | 173.4 | -176.6 | 0 | 0 | 0 | 0 | 109.5 | Y32 | V6-Y32 WeakPolarHBondContact O-CD2 3.44Š| ||
| 7 | L | 94.9 | Very high | 91.7 | Very high | 47 Ų | 47 | 121.3 Ų | 121.3 | 25% | 0.246 | 59% | 0.592 | C | S | . | * | trans | -62.7 | 135.1 | 173.1 | -66.7 | 177.3 | 0 | 0 | 0 | 110.3 | S12 R20 Y32 | L7-S12 WeakPolarHBondContact CD1-O 3.4Å; L7-R20 HydrophobicContact CD2-CG 4.48Å; L7-R20 VanDerWaalsContact CD2-NH1 3.32Å; L7-Y32 HydrophobicContact CD2-CD2 4.19Å; L7-Y32 HydrophobicContact CD2-CE2 4.16Å | ||
| 8 | R | 93.6 | Very high | 91.9 | Very high | 170 Ų | 170 | 114.7 Ų | 114.7 | 64% | 0.642 | 56% | 0.56 | S | S | * | * | S | Bend | trans | -95.2 | -2 | 179.4 | -53.3 | 167.6 | 60.7 | -170.3 | 3.7 | 113.2 | Y32 Y34 | R8-Y32 WeakPolarHBondContact CD-O 3.42Å; R8-Y32 PolarHBondContact NH1-O 3.13Å; R8-Y34 HydrophobicContact CB-CE2 4.07Å; R8-Y34 PolarHBondContact N-OH 3.27Å |
| 9 | R | 94.2 | Very high | 92.1 | Very high | 127 Ų | 127 | 117.6 Ų | 117.6 | 48% | 0.479 | 56% | 0.564 | S | S | . | * | S | Bend | trans | -115.2 | 153.6 | 179.6 | -72.2 | -175.4 | 174.2 | 173 | 0.8 | 109.2 | L11 Y34 | R9-L11 PolarHBondContact O-N 3.38Å; R9-L11 VanDerWaalsContact O-N 3.11Å; R9-Y34 HydrophobicContact CG-CD2 4.31Å; R9-Y34 HydrophobicContact CG-CE1 4.16Å; R9-Y34 HydrophobicContact CG-CE2 3.93Å; R9-Y34 VanDerWaalsContact CZ-CB 3.45Å; R9-Y34 PolarHBondContact N-OH 3.22Å; R9-Y34 VanDerWaalsContact NH2-CB 3.35Å |
| 10 | R | 95.4 | Very high | 92.2 | Very high | 260 Ų | 260 | 115.5 Ų | 115.5 | 98% | 0.981 | 55% | 0.55 | S | S | * | . | S | Bend | trans | -54.4 | -28.5 | 174.9 | 72.4 | 179 | -174.1 | -174.1 | 2.6 | 114.7 | S12 | R10-S12 PolarHBondContact O-N 3.09Š|
| 11 | L | 94.1 | Very high | 92.4 | Very high | 62 Ų | 62 | 118.1 Ų | 118.1 | 33% | 0.325 | 56% | 0.555 | S | S | . | * | trans | -78.5 | 112.1 | -177.4 | -168.1 | 76.8 | 0 | 0 | 0 | 110.9 | R9 Y13 T15 N18 | R9-L11 PolarHBondContact O-N 3.38Å; R9-L11 VanDerWaalsContact O-N 3.11Å; L11-Y13 HydrophobicContact CD1-CD2 4.11Å; L11-T15 HydrophobicContact CD2-CG2 4.28Å; L11-T15 WeakPolarHBondContact CD2-OG1 3.47Å; L11-N18 HydrophobicContact CD2-CB 3.59Å; L11-N18 PolarHBondContact O-ND2 3.47Å | ||
| 12 | S | 94.9 | Very high | 93.5 | Very high | 77 Ų | 77 | 112 Ų | 112 | 54% | 0.538 | 53% | 0.528 | S | S | . | . | trans | -79.6 | -28.7 | 178 | 50.5 | 0 | 0 | 0 | 0 | 113.7 | L7 R10 | L7-S12 WeakPolarHBondContact CD1-O 3.4Å; R10-S12 PolarHBondContact O-N 3.09Å | ||
| 13 | Y | 96.3 | Very high | 94 | Very high | 167 Ų | 167 | 109.6 Ų | 109.6 | 66% | 0.655 | 51% | 0.506 | S | S | * | . | S | Bend | trans | -76.4 | 149.9 | -173 | -54.8 | -77.8 | 0 | 0 | 0 | 114.6 | L11 T15 N18 | L11-Y13 HydrophobicContact CD1-CD2 4.11Å; Y13-T15 VanDerWaalsContact C-N 3.31Å; Y13-T15 PolarHBondContact O-N 3.07Å; Y13-N18 PolarHBondContact O-ND2 3.47Å |
| 14 | N | 95 | Very high | 94.4 | Very high | 132 Ų | 132 | 110.1 Ų | 110.1 | 71% | 0.706 | 51% | 0.509 | S | S | * | . | trans | -82.8 | 67.9 | 176.9 | -168.5 | 28.7 | 0 | 0 | 0 | 112.3 | R20 | N14-R20 PolarHBondContact OD1-NH2 3.22Š| ||
| 15 | T | 96 | Very high | 94.6 | Very high | 47 Ų | 47 | 101.8 Ų | 101.8 | 29% | 0.288 | 48% | 0.482 | S | S | . | . | trans | -91.3 | 157.4 | 176.6 | 70.5 | 0 | 0 | 0 | 0 | 111.6 | L11 Y13 S17 N18 R19 | L11-T15 HydrophobicContact CD2-CG2 4.28Å; L11-T15 WeakPolarHBondContact CD2-OG1 3.47Å; Y13-T15 VanDerWaalsContact C-N 3.31Å; Y13-T15 PolarHBondContact O-N 3.07Å; T15-S17 PolarHBondContact O-N 3.34Å; T15-S17 PolarHBondContact OG1-OG 3.38Å; T15-N18 CarbonylContact O-C 3.43Å; T15-N18 WeakPolarHBondContact O-CA 3.32Å; T15-N18 PolarHBondContact O-N 3.25Å; T15-N18 PolarHBondContact OG1-N 3.01Å; T15-R19 PolarHBondContact O-N 2.96Å | ||
| 16 | P | 94.2 | Very high | 94.8 | Very high | 107 Ų | 107 | 106.6 Ų | 106.6 | 70% | 0.695 | 52% | 0.516 | S | S | * | . | G | 310 helix | trans | -57.5 | -21.2 | 174.7 | -26.5 | 34.6 | 0 | 0 | 0 | 114.3 | ||
| 17 | S | 93.6 | Very high | 94.8 | Very high | 58 Ų | 58 | 103.4 Ų | 103.4 | 41% | 0.406 | 51% | 0.509 | S | S | . | . | G | 310 helix | trans | -78.1 | -23.6 | 174.8 | 75.8 | 0 | 0 | 0 | 0 | 113.5 | T15 K37 | T15-S17 PolarHBondContact O-N 3.34Å; T15-S17 PolarHBondContact OG1-OG 3.38Å; S17-K37 VanDerWaalsContact CA-CE 3.49Å |
| 18 | N | 95.7 | Very high | 94.6 | Very high | 2 Ų | 2 | 105.4 Ų | 105.4 | 1% | 0.011 | 52% | 0.519 | C | S | . | . | G | 310 helix | trans | -109.3 | 29.6 | -177.3 | -160.4 | 35.6 | 0 | 0 | 0 | 111.7 | L11 Y13 T15 R20 Y34 | L11-N18 HydrophobicContact CD2-CB 3.59Å; L11-N18 PolarHBondContact O-ND2 3.47Å; Y13-N18 PolarHBondContact O-ND2 3.47Å; T15-N18 CarbonylContact O-C 3.43Å; T15-N18 WeakPolarHBondContact O-CA 3.32Å; T15-N18 PolarHBondContact O-N 3.25Å; T15-N18 PolarHBondContact OG1-N 3.01Å; N18-R20 WeakPolarHBondContact O-CG 3.42Å; N18-R20 PolarHBondContact O-NE 3.03Å; N18-Y34 WeakPolarHBondContact OD1-CE1 3.32Å |
| 19 | R | 94.9 | Very high | 94.5 | Very high | 170 Ų | 170 | 106.3 Ų | 106.3 | 64% | 0.642 | 52% | 0.523 | S | S | * | . | trans | -58.4 | 141.5 | 168.4 | -174.2 | 176.9 | 179.8 | -177.3 | 1.6 | 109.2 | T15 P35 | T15-R19 PolarHBondContact O-N 2.96Å; R19-P35 HydrophobicContact CG-CG 4.29Å; R19-P35 WeakPolarHBondContact O-CD 3.47Å | ||
| 20 | R | 95.1 | Very high | 94.5 | Very high | 75 Ų | 75 | 103.2 Ų | 103.2 | 28% | 0.283 | 52% | 0.516 | S | S | . | . | trans | -126.2 | 148.2 | -173.3 | -69.8 | 158.5 | -73.2 | 162.3 | -3.5 | 109.9 | L7 N14 N18 Y32 L33 Y34 | L7-R20 HydrophobicContact CD2-CG 4.48Å; L7-R20 VanDerWaalsContact CD2-NH1 3.32Å; N14-R20 PolarHBondContact OD1-NH2 3.22Å; N18-R20 WeakPolarHBondContact O-CG 3.42Å; N18-R20 PolarHBondContact O-NE 3.03Å; R20-Y32 HydrophobicContact CB-CD1 3.7Å; R20-Y32 HydrophobicContact CB-CE1 4.07Å; R20-Y32 HydrophobicContact CB-CG 4.3Å; R20-Y32 HydrophobicContact CG-CD1 4.17Å; R20-Y32 HydrophobicContact CG-CG 4.3Å; R20-L33 WeakPolarHBondContact CA-O 3.24Å; R20-Y34 HydrophobicContact CG-CD1 3.98Å; R20-Y34 HydrophobicContact CG-CE1 3.63Å | ||
| 21 | R | 95 | Very high | 94.5 | Very high | 172 Ų | 172 | 92.4 Ų | 92.4 | 65% | 0.649 | 48% | 0.478 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 129.7 | 167 | 177.6 | -178.2 | 175.1 | -166.8 | 0.5 | 107.7 | L33 | R21-L33 PolarHBondContact N-O 2.69Å; R21-L33 PolarHBondContact O-N 3.06Å |
| 22 | V | 95.4 | Very high | 94.6 | Very high | 76 Ų | 76 | 91.5 Ų | 91.5 | 46% | 0.461 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 131.6 | 171.2 | -178.9 | 0 | 0 | 0 | 0 | 108.5 | L5 L30 Y32 | L5-V22 HydrophobicContact CD1-CB 4.31Å; L5-V22 HydrophobicContact CD1-CG1 3.82Å; L5-V22 HydrophobicContact CD1-CG2 3.68Å; V22-L30 HydrophobicContact CG1-CB 4.27Å; V22-L30 HydrophobicContact CG1-CD1 4.39Å; V22-L30 HydrophobicContact CG1-CD2 4.23Å; V22-Y32 HydrophobicContact CG2-CD1 4.07Å; V22-Y32 HydrophobicContact CG2-CE1 3.74Å |
| 23 | S | 94 | Very high | 94.6 | Very high | 37 Ų | 37 | 91.5 Ų | 91.5 | 26% | 0.259 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 141.3 | 177.5 | -179.8 | 0 | 0 | 0 | 0 | 109.8 | V31 | S23-V31 PolarHBondContact N-O 3.49Å; S23-V31 PolarHBondContact O-N 3.25Å |
| 24 | K | 94.6 | Very high | 94.6 | Very high | 138 Ų | 138 | 85.3 Ų | 85.3 | 60% | 0.6 | 44% | 0.44 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 121.5 | 174 | -168 | 177.4 | -176.8 | -178.9 | 0 | 108.3 | N28 L30 | K24-N28 WeakPolarHBondContact CE-OD1 3.4Å; K24-N28 PolarHBondContact NZ-OD1 3.37Å; K24-N28 VanDerWaalsContact NZ-OD1 3.1Å; K24-L30 HydrophobicContact CB-CD2 4Å; K24-L30 HydrophobicContact CG-CD2 4.23Å |
| 25 | T | 93.8 | Very high | 94.6 | Very high | 44 Ų | 44 | 81.6 Ų | 81.6 | 27% | 0.27 | 42% | 0.424 | S | S | . | . | trans | -78.5 | 158.4 | 174.4 | 56.9 | 0 | 0 | 0 | 0 | 110.5 | G27 N28 R29 V31 | T25-G27 PolarHBondContact O-N 2.96Å; T25-N28 PolarHBondContact O-N 3.4Å; T25-R29 PolarHBondContact N-O 2.91Å; T25-R29 WeakPolarHBondContact OG1-CB 3.46Å; T25-R29 PolarHBondContact OG1-N 3.41Å; T25-R29 PolarHBondContact OG1-O 3.11Å; T25-V31 HydrophobicContact CG2-CB 4.33Å; T25-V31 HydrophobicContact CG2-CG1 3.81Å; T25-V31 HydrophobicContact CG2-CG2 3.53Å | ||
| 26 | P | 96.6 | Very high | 94.5 | Very high | 145 Ų | 145 | 87.2 Ų | 87.2 | 94% | 0.942 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52 | -35.7 | 174 | -29.3 | 36.5 | 0 | 0 | 0 | 113.6 | N28 | P26-N28 PolarHBondContact O-N 3.29Š|
| 27 | G | 94 | Very high | 94.6 | Very high | 59 Ų | 59 | 87 Ų | 87 | 61% | 0.608 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | 20.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | T25 R29 | T25-G27 PolarHBondContact O-N 2.96Å; G27-R29 PolarHBondContact O-N 2.91Å; G27-R29 VanDerWaalsContact O-N 3.08Å |
| 28 | N | 90.2 | Very high | 94.5 | Very high | 88 Ų | 88 | 88.5 Ų | 88.5 | 47% | 0.471 | 44% | 0.44 | S | S | . | . | S | Bend | trans | 59.1 | 21.6 | 177.2 | -160.4 | 20.8 | 0 | 0 | 0 | 115.2 | K3 K24 T25 P26 | K3-N28 PolarHBondContact NZ-O 2.93Å; K24-N28 WeakPolarHBondContact CE-OD1 3.4Å; K24-N28 PolarHBondContact NZ-OD1 3.37Å; K24-N28 VanDerWaalsContact NZ-OD1 3.1Å; T25-N28 PolarHBondContact O-N 3.4Å; P26-N28 PolarHBondContact O-N 3.29Å |
| 29 | R | 91.8 | Very high | 94.4 | Very high | 189 Ų | 189 | 88.8 Ų | 88.8 | 71% | 0.713 | 44% | 0.444 | S | S | * | . | trans | -98.4 | 136.4 | 173.8 | -60.5 | 178.6 | -175.7 | 177.6 | 0.4 | 110.4 | T25 G27 | T25-R29 PolarHBondContact N-O 2.91Å; T25-R29 WeakPolarHBondContact OG1-CB 3.46Å; T25-R29 PolarHBondContact OG1-N 3.41Å; T25-R29 PolarHBondContact OG1-O 3.11Å; G27-R29 PolarHBondContact O-N 2.91Å; G27-R29 VanDerWaalsContact O-N 3.08Å | ||
| 30 | L | 94.4 | Very high | 94.3 | Very high | 62 Ų | 62 | 87.7 Ų | 87.7 | 33% | 0.325 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 134.6 | 168.6 | -65 | -175.5 | 0 | 0 | 0 | 108.9 | K3 L5 V22 K24 | K3-L30 HydrophobicContact CB-CD1 3.94Å; K3-L30 HydrophobicContact CD-CD1 4.48Å; K3-L30 HydrophobicContact CD-CG 4.35Å; L5-L30 HydrophobicContact CD1-CB 4.45Å; L5-L30 VanDerWaalsContact CD2-C 3.47Å; L5-L30 HydrophobicContact CD2-CB 3.73Å; L5-L30 WeakPolarHBondContact CD2-O 3.4Å; L5-L30 HydrophobicContact CG-CB 4.49Å; V22-L30 HydrophobicContact CG1-CB 4.27Å; V22-L30 HydrophobicContact CG1-CD1 4.39Å; V22-L30 HydrophobicContact CG1-CD2 4.23Å; K24-L30 HydrophobicContact CB-CD2 4Å; K24-L30 HydrophobicContact CG-CD2 4.23Å |
| 31 | V | 94.7 | Very high | 94.2 | Very high | 33 Ų | 33 | 85.5 Ų | 85.5 | 20% | 0.2 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 153.7 | 178.8 | -61.6 | 0 | 0 | 0 | 0 | 111.2 | S23 T25 L33 | S23-V31 PolarHBondContact N-O 3.49Å; S23-V31 PolarHBondContact O-N 3.25Å; T25-V31 HydrophobicContact CG2-CB 4.33Å; T25-V31 HydrophobicContact CG2-CG1 3.81Å; T25-V31 HydrophobicContact CG2-CG2 3.53Å; V31-L33 HydrophobicContact CG2-CD2 4.48Å |
| 32 | Y | 95.8 | Very high | 94.3 | Very high | 43 Ų | 43 | 79 Ų | 79 | 17% | 0.169 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 126.6 | 165.1 | -72.1 | -52.9 | 0 | 0 | 0 | 111.2 | L5 V6 L7 R8 R20 V22 | L5-Y32 HydrophobicContact CB-CD2 3.89Å; L5-Y32 HydrophobicContact CB-CE1 4.34Å; L5-Y32 HydrophobicContact CB-CE2 3.33Å; L5-Y32 HydrophobicContact CD1-CD1 3.92Å; L5-Y32 HydrophobicContact CD1-CD2 4.35Å; L5-Y32 HydrophobicContact CD1-CE1 3.68Å; L5-Y32 HydrophobicContact CD1-CE2 4.14Å; L5-Y32 HydrophobicContact CD1-CG 4.26Å; L5-Y32 HydrophobicContact CG-CE2 4.38Å; V6-Y32 WeakPolarHBondContact O-CD2 3.44Å; L7-Y32 HydrophobicContact CD2-CD2 4.19Å; L7-Y32 HydrophobicContact CD2-CE2 4.16Å; R8-Y32 WeakPolarHBondContact CD-O 3.42Å; R8-Y32 PolarHBondContact NH1-O 3.13Å; R20-Y32 HydrophobicContact CB-CD1 3.7Å; R20-Y32 HydrophobicContact CB-CE1 4.07Å; R20-Y32 HydrophobicContact CB-CG 4.3Å; R20-Y32 HydrophobicContact CG-CD1 4.17Å; R20-Y32 HydrophobicContact CG-CG 4.3Å; V22-Y32 HydrophobicContact CG2-CD1 4.07Å; V22-Y32 HydrophobicContact CG2-CE1 3.74Å |
| 33 | L | 95.7 | Very high | 94.3 | Very high | 77 Ų | 77 | 82.3 Ų | 82.3 | 40% | 0.403 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 144.1 | 159.7 | -61.6 | -177.8 | 0 | 0 | 0 | 109.2 | R20 R21 V31 P35 | R20-L33 WeakPolarHBondContact CA-O 3.24Å; R21-L33 PolarHBondContact N-O 2.69Å; R21-L33 PolarHBondContact O-N 3.06Å; V31-L33 HydrophobicContact CG2-CD2 4.48Å; L33-P35 WeakPolarHBondContact O-CD 3.29Å |
| 34 | Y | 96.1 | Very high | 94.5 | Very high | 37 Ų | 37 | 80.6 Ų | 80.6 | 15% | 0.145 | 43% | 0.425 | C | S | . | . | trans | -107.1 | 89.9 | -176.4 | -67.5 | -86.4 | 0 | 0 | 0 | 110.6 | R8 R9 N18 R20 | R8-Y34 HydrophobicContact CB-CE2 4.07Å; R8-Y34 PolarHBondContact N-OH 3.27Å; R9-Y34 HydrophobicContact CG-CD2 4.31Å; R9-Y34 HydrophobicContact CG-CE1 4.16Å; R9-Y34 HydrophobicContact CG-CE2 3.93Å; R9-Y34 VanDerWaalsContact CZ-CB 3.45Å; R9-Y34 PolarHBondContact N-OH 3.22Å; R9-Y34 VanDerWaalsContact NH2-CB 3.35Å; N18-Y34 WeakPolarHBondContact OD1-CE1 3.32Å; R20-Y34 HydrophobicContact CG-CD1 3.98Å; R20-Y34 HydrophobicContact CG-CE1 3.63Å | ||
| 35 | P | 94.7 | Very high | 94.5 | Very high | 55 Ų | 55 | 76.6 Ų | 76.6 | 36% | 0.357 | 42% | 0.423 | S | S | . | . | P | Polyproline II helix | trans | -60.3 | 140.7 | 173.4 | 26.3 | -35.4 | 0 | 0 | 0 | 110.8 | R19 L33 | R19-P35 HydrophobicContact CG-CG 4.29Å; R19-P35 WeakPolarHBondContact O-CD 3.47Å; L33-P35 WeakPolarHBondContact O-CD 3.29Å |
| 36 | K | 94.4 | Very high | 94.5 | Very high | 164 Ų | 164 | 77.9 Ų | 77.9 | 71% | 0.713 | 43% | 0.428 | S | S | * | . | P | Polyproline II helix | trans | -70 | 153.4 | 171.5 | -70.8 | 176.9 | -176.3 | 170.4 | 0 | 109.6 | ||
| 37 | K | 95.2 | Very high | 94.5 | Very high | 104 Ų | 104 | 73.8 Ų | 73.8 | 45% | 0.452 | 40% | 0.402 | S | S | . | . | P | Polyproline II helix | trans | -53.3 | 135.2 | 171.5 | -67.3 | -173.8 | 180 | -176.8 | 0 | 110.6 | S17 R58 | S17-K37 VanDerWaalsContact CA-CE 3.49Å; K37-R58 WeakPolarHBondContact O-CD 3.36Å; K37-R58 WeakPolarHBondContact O-CG 3.43Å |
| 38 | P | 93 | Very high | 94.5 | Very high | 88 Ų | 88 | 78.7 Ų | 78.7 | 57% | 0.571 | 41% | 0.407 | S | S | * | . | P | Polyproline II helix | trans | -64.5 | 145.3 | 176.1 | 28.1 | -34.1 | 0 | 0 | 0 | 110.4 | ||
| 39 | G | 93.1 | Very high | 94.8 | Very high | 9 Ų | 9 | 77.9 Ų | 77.9 | 9% | 0.093 | 41% | 0.405 | C | S | . | . | P | Polyproline II helix | trans | -72.8 | 150.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | R56 | G39-R56 VanDerWaalsContact O-CG 3.31Å; G39-R56 WeakPolarHBondContact O-CG 3.47Å; G39-R56 PolarHBondContact O-NE 3.14Å; G39-R56 PolarHBondContact O-NH2 2.98Å |
| 40 | N | 93.4 | Very high | 94.9 | Very high | 147 Ų | 147 | 77.2 Ų | 77.2 | 79% | 0.786 | 40% | 0.402 | S | S | * | . | P | Polyproline II helix | trans | -76.6 | 147.5 | 169.8 | -72.1 | -22.2 | 0 | 0 | 0 | 110 | ||
| 41 | A | 93.4 | Very high | 95 | Very high | 28 Ų | 28 | 74.5 Ų | 74.5 | 23% | 0.231 | 39% | 0.389 | C | S | . | . | P | Polyproline II helix | trans | -73 | 139.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | R50 R56 | A41-R50 HydrophobicContact CB-CG 3.99Å; A41-R56 HydrophobicContact CB-CG 4.41Å |
| 42 | P | 95.2 | Very high | 94.9 | Very high | 35 Ų | 35 | 82 Ų | 82 | 23% | 0.227 | 42% | 0.419 | C | S | . | . | P | Polyproline II helix | trans | -65.3 | 137.5 | 175.5 | 25.7 | -30.9 | 0 | 0 | 0 | 110 | L51 I54 | P42-L51 HydrophobicContact CB-CD1 4.48Å; P42-L51 HydrophobicContact CG-CB 4.43Å; P42-L51 PolarHBondContact O-N 3.15Å; P42-I54 HydrophobicContact CB-CD1 4.16Å; P42-I54 HydrophobicContact CB-CG2 4.31Å; P42-I54 HydrophobicContact CG-CB 3.59Å; P42-I54 HydrophobicContact CG-CD1 4.01Å; P42-I54 HydrophobicContact CG-CG1 4.42Å; P42-I54 HydrophobicContact CG-CG2 3.63Å |
| 43 | K | 96.5 | Very high | 94.8 | Very high | 146 Ų | 146 | 83.1 Ų | 83.1 | 64% | 0.635 | 44% | 0.442 | S | S | * | . | B | Isolated β-bridge | trans | -114.5 | 150.1 | -176.4 | -63.8 | -178.2 | -179.5 | -176.9 | 0 | 110.4 | T49 | K43-T49 CarbonylContact C-O 3.49Å; K43-T49 VanDerWaalsContact CA-O 3.3Å; K43-T49 WeakPolarHBondContact CA-O 3.39Å |
| 44 | C | 97 | Very high | 94.8 | Very high | 2 Ų | 2 | 80.5 Ų | 80.5 | 1% | 0.014 | 43% | 0.429 | C | S | . | . | trans | -63.2 | 134.2 | 170.7 | -177.9 | 0 | 0 | 0 | 0 | 109.5 | D46 K48 T49 L51 C81 | C44-D46 PolarHBondContact O-N 2.98Å; C44-K48 WeakPolarHBondContact O-CA 3.27Å; C44-K48 PolarHBondContact O-N 2.91Å; C44-T49 PolarHBondContact N-O 3.4Å; C44-L51 HydrophobicContact CB-CD2 3.94Å; C44-C81 HydrophobicContact CB-CB 4.18Å; C44-C81 PolarHBondContact SG-N 3.38Å | ||
| 45 | G | 95 | Very high | 94.7 | Very high | 54 Ų | 54 | 80.2 Ų | 80.2 | 56% | 0.557 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -19 | 178 | 0 | 0 | 0 | 0 | 0 | 114.9 | S79 R80 | G45-S79 PolarHBondContact N-O 3.06Å; G45-R80 VanDerWaalsContact CA-NH1 3.28Å; G45-R80 PolarHBondContact O-NH1 3.3Å |
| 46 | D | 95.1 | Very high | 94.7 | Very high | 70 Ų | 70 | 84.3 Ų | 84.3 | 37% | 0.374 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | -72 | 180 | -64.2 | -41.6 | 0 | 0 | 0 | 110 | C44 K48 R80 C84 R88 | C44-D46 PolarHBondContact O-N 2.98Å; D46-K48 VanDerWaalsContact C-N 3.35Å; D46-K48 PolarHBondContact O-N 3.31Å; D46-R80 VanDerWaalsContact N-NH1 3.1Å; D46-R80 IonicContact OD1-CZ 3.25Å; D46-R80 IonicContact OD1-NH1 3.85Å; D46-R80 PolarHBondContact OD1-NH1 3.43Å; D46-R80 WeakPolarHBondContact OD2-CD 3.46Å; D46-R80 IonicContact OD2-CZ 3.6Å; D46-R80 IonicContact OD2-NE 3.23Å; D46-R80 IonicContact OD2-NH1 2.66Å; D46-R80 PolarHBondContact OD2-NH1 3.15Å; D46-C84 HydrophobicContact CB-CB 4.32Å; D46-R88 IonicContact OD1-NH2 3.61Å; D46-R88 PolarHBondContact OD1-NH2 2.94Å; D46-R88 IonicContact OD2-CZ 2.71Å; D46-R88 IonicContact OD2-NE 3.09Å; D46-R88 PolarHBondContact OD2-NE 3.15Å; D46-R88 IonicContact OD2-NH2 2.98Å; D46-R88 PolarHBondContact OD2-NH2 3.27Å; D46-R88 VanDerWaalsContact OD2-NH2 3.09Å |
| 47 | C | 95.7 | Very high | 94.8 | Very high | 60 Ų | 60 | 78.1 Ų | 78.1 | 41% | 0.405 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | 0.7 | -174.1 | 59.8 | 0 | 0 | 0 | 0 | 114.9 | T49 | C47-T49 HydrophobicContact CB-CG2 4.24Å; C47-T49 PolarHBondContact O-N 2.95Å; C47-T49 PolarHBondContact SG-OG1 2.71Å |
| 48 | K | 95 | Very high | 94.8 | Very high | 162 Ų | 162 | 78.4 Ų | 78.4 | 70% | 0.704 | 42% | 0.416 | S | S | * | . | trans | 58.1 | 10 | -180 | -58 | 175.1 | -178.1 | 172.6 | 0 | 115.4 | C44 D46 | C44-K48 WeakPolarHBondContact O-CA 3.27Å; C44-K48 PolarHBondContact O-N 2.91Å; D46-K48 VanDerWaalsContact C-N 3.35Å; D46-K48 PolarHBondContact O-N 3.31Å | ||
| 49 | T | 95.4 | Very high | 94.9 | Very high | 70 Ų | 70 | 79.4 Ų | 79.4 | 43% | 0.429 | 42% | 0.423 | S | S | . | . | P | Polyproline II helix | trans | -68.9 | 153.6 | 174.5 | 60.1 | 0 | 0 | 0 | 0 | 111.3 | K43 C44 C47 L51 | K43-T49 CarbonylContact C-O 3.49Å; K43-T49 VanDerWaalsContact CA-O 3.3Å; K43-T49 WeakPolarHBondContact CA-O 3.39Å; C44-T49 PolarHBondContact N-O 3.4Å; C47-T49 HydrophobicContact CB-CG2 4.24Å; C47-T49 PolarHBondContact O-N 2.95Å; C47-T49 PolarHBondContact SG-OG1 2.71Å; T49-L51 PolarHBondContact O-N 2.98Å |
| 50 | R | 95.2 | Very high | 95 | Very high | 175 Ų | 175 | 87.9 Ų | 87.9 | 66% | 0.66 | 45% | 0.452 | S | S | * | . | B | Isolated β-bridge | trans | -65.5 | 129.3 | 178.3 | 177.2 | 176.9 | 171.9 | -166.3 | -3.8 | 111 | A41 | A41-R50 HydrophobicContact CB-CG 3.99Å |
| 51 | L | 95.4 | Very high | 95 | Very high | 6 Ų | 6 | 85.6 Ų | 85.6 | 3% | 0.031 | 44% | 0.436 | C | S | . | . | P | Polyproline II helix | trans | -77.2 | 127.4 | 174.3 | -64.4 | 176.7 | 0 | 0 | 0 | 110.6 | P42 C44 T49 I54 G78 C81 | P42-L51 HydrophobicContact CB-CD1 4.48Å; P42-L51 HydrophobicContact CG-CB 4.43Å; P42-L51 PolarHBondContact O-N 3.15Å; C44-L51 HydrophobicContact CB-CD2 3.94Å; T49-L51 PolarHBondContact O-N 2.98Å; L51-I54 HydrophobicContact CB-CD1 3.63Å; L51-I54 HydrophobicContact CB-CG1 4.45Å; L51-I54 HydrophobicContact CD1-CD1 3.68Å; L51-I54 HydrophobicContact CG-CD1 4.3Å; L51-G78 WeakPolarHBondContact CD1-O 3.47Å; L51-C81 HydrophobicContact CD2-CB 4.07Å |
| 52 | K | 93.7 | Very high | 95.1 | Very high | 191 Ų | 191 | 87.2 Ų | 87.2 | 83% | 0.83 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | 151.2 | 174.4 | -60.3 | -177.5 | -179.5 | -177.6 | 0 | 109.9 | I54 | K52-I54 VanDerWaalsContact C-N 3.32Å; K52-I54 PolarHBondContact O-N 3.38Å |
| 53 | G | 93.6 | Very high | 95.1 | Very high | 65 Ų | 65 | 89.1 Ų | 89.1 | 67% | 0.67 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.4 | -2.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 54 | I | 94.8 | Very high | 95.1 | Very high | 23 Ų | 23 | 90.6 Ų | 90.6 | 12% | 0.118 | 46% | 0.461 | C | S | . | . | S | Bend | trans | -109.3 | 134.3 | 178.4 | -50.1 | 168.7 | 0 | 0 | 0 | 110 | P42 L51 K52 R56 V72 | P42-I54 HydrophobicContact CB-CD1 4.16Å; P42-I54 HydrophobicContact CB-CG2 4.31Å; P42-I54 HydrophobicContact CG-CB 3.59Å; P42-I54 HydrophobicContact CG-CD1 4.01Å; P42-I54 HydrophobicContact CG-CG1 4.42Å; P42-I54 HydrophobicContact CG-CG2 3.63Å; L51-I54 HydrophobicContact CB-CD1 3.63Å; L51-I54 HydrophobicContact CB-CG1 4.45Å; L51-I54 HydrophobicContact CD1-CD1 3.68Å; L51-I54 HydrophobicContact CG-CD1 4.3Å; K52-I54 VanDerWaalsContact C-N 3.32Å; K52-I54 PolarHBondContact O-N 3.38Å; I54-R56 PolarHBondContact O-N 3.41Å; I54-V72 HydrophobicContact CG1-CG2 4.2Å |
| 55 | A | 94.9 | Very high | 95 | Very high | 30 Ų | 30 | 91.4 Ų | 91.4 | 25% | 0.248 | 47% | 0.465 | C | S | . | . | trans | -63.7 | 131 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | V57 L65 R69 | A55-V57 HydrophobicContact CB-CG1 4.24Å; A55-V57 HydrophobicContact CB-CG2 4.39Å; A55-V57 PolarHBondContact O-N 3.02Å; A55-L65 HydrophobicContact CB-CD1 3.6Å; A55-R69 HydrophobicContact CB-CB 4.46Å; A55-R69 WeakPolarHBondContact CB-O 3.46Å; A55-R69 PolarHBondContact N-O 3.49Å | ||
| 56 | R | 94.9 | Very high | 95.1 | Very high | 142 Ų | 142 | 92.3 Ų | 92.3 | 54% | 0.536 | 46% | 0.461 | S | S | . | . | trans | -84.1 | 91.5 | 172 | -178.7 | -172.1 | 175.1 | -151.7 | 2.4 | 109.9 | G39 A41 I54 | G39-R56 VanDerWaalsContact O-CG 3.31Å; G39-R56 WeakPolarHBondContact O-CG 3.47Å; G39-R56 PolarHBondContact O-NE 3.14Å; G39-R56 PolarHBondContact O-NH2 2.98Å; A41-R56 HydrophobicContact CB-CG 4.41Å; I54-R56 PolarHBondContact O-N 3.41Å | ||
| 57 | V | 95 | Very high | 95.1 | Very high | 34 Ų | 34 | 98.3 Ų | 98.3 | 21% | 0.206 | 48% | 0.479 | C | S | . | . | trans | -139.4 | 166.2 | -176.6 | -64.1 | 0 | 0 | 0 | 0 | 112 | A55 H61 L62 L65 | A55-V57 HydrophobicContact CB-CG1 4.24Å; A55-V57 HydrophobicContact CB-CG2 4.39Å; A55-V57 PolarHBondContact O-N 3.02Å; V57-H61 HydrophobicContact CB-CB 4.2Å; V57-H61 WeakPolarHBondContact CG1-ND1 3.44Å; V57-H61 HydrophobicContact CG2-CB 4.48Å; V57-L62 HydrophobicContact CG2-CB 3.75Å; V57-L62 HydrophobicContact CG2-CD1 3.8Å; V57-L62 HydrophobicContact CG2-CG 4.38Å; V57-L65 HydrophobicContact CG1-CD1 4.23Å; V57-L65 HydrophobicContact CG2-CD1 3.77Å | ||
| 58 | R | 95.1 | Very high | 95.1 | Very high | 109 Ų | 109 | 100.2 Ų | 100.2 | 41% | 0.411 | 49% | 0.49 | S | S | . | . | trans | -67.6 | 152.1 | 173.6 | -66.7 | -176.8 | 72.7 | 165 | -2.7 | 110.5 | K37 R60 H61 L62 | K37-R58 WeakPolarHBondContact O-CD 3.36Å; K37-R58 WeakPolarHBondContact O-CG 3.43Å; R58-R60 VanDerWaalsContact C-N 3.31Å; R58-R60 PolarHBondContact O-N 3.25Å; R58-H61 WeakPolarHBondContact O-CA 3.24Å; R58-H61 PolarHBondContact O-N 3.19Å; R58-L62 PolarHBondContact O-N 2.92Å | ||
| 59 | P | 95.1 | Very high | 95.1 | Very high | 109 Ų | 109 | 99.9 Ų | 99.9 | 71% | 0.708 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -50.9 | -44.9 | -178.8 | -29.4 | 35.3 | 0 | 0 | 0 | 114.2 | H61 L62 A63 | P59-H61 VanDerWaalsContact C-N 3.31Å; P59-H61 PolarHBondContact O-N 2.93Å; P59-L62 WeakPolarHBondContact O-CB 3.34Å; P59-L62 PolarHBondContact O-N 3.47Å; P59-A63 PolarHBondContact O-N 2.97Å |
| 60 | R | 94.9 | Very high | 95.1 | Very high | 187 Ų | 187 | 99.8 Ų | 99.8 | 71% | 0.706 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -62.9 | -34.3 | 177.3 | -168.6 | 176.5 | -172.9 | -140.9 | 1.2 | 113.7 | R58 | R58-R60 VanDerWaalsContact C-N 3.31Å; R58-R60 PolarHBondContact O-N 3.25Å |
| 61 | H | 95.2 | Very high | 95.1 | Very high | 99 Ų | 99 | 93.6 Ų | 93.6 | 46% | 0.458 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -78.6 | -35.8 | 176.5 | -170.8 | -124.7 | 0 | 0 | 0 | 111 | V57 R58 P59 A63 R64 L65 | V57-H61 HydrophobicContact CB-CB 4.2Å; V57-H61 WeakPolarHBondContact CG1-ND1 3.44Å; V57-H61 HydrophobicContact CG2-CB 4.48Å; R58-H61 WeakPolarHBondContact O-CA 3.24Å; R58-H61 PolarHBondContact O-N 3.19Å; P59-H61 VanDerWaalsContact C-N 3.31Å; P59-H61 PolarHBondContact O-N 2.93Å; H61-A63 VanDerWaalsContact C-N 3.26Å; H61-A63 PolarHBondContact O-N 3.09Å; H61-R64 PolarHBondContact O-N 3.27Å; H61-L65 PolarHBondContact O-N 3.09Å |
| 62 | L | 95.1 | Very high | 95.1 | Very high | 63 Ų | 63 | 95.4 Ų | 95.4 | 33% | 0.33 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -56.6 | -41.6 | 173.2 | -169.6 | 65 | 0 | 0 | 0 | 111.4 | V57 R58 P59 R64 L65 K70 | V57-L62 HydrophobicContact CG2-CB 3.75Å; V57-L62 HydrophobicContact CG2-CD1 3.8Å; V57-L62 HydrophobicContact CG2-CG 4.38Å; R58-L62 PolarHBondContact O-N 2.92Å; P59-L62 WeakPolarHBondContact O-CB 3.34Å; P59-L62 PolarHBondContact O-N 3.47Å; L62-R64 PolarHBondContact O-N 3.42Å; L62-L65 HydrophobicContact CD1-CD1 4.44Å; L62-L65 PolarHBondContact O-N 3.12Å; L62-K70 HydrophobicContact CD1-CG 4.04Å; L62-K70 WeakPolarHBondContact O-CE 3.42Å; L62-K70 PolarHBondContact O-NZ 2.96Å |
| 63 | A | 94.9 | Very high | 95.2 | Very high | 75 Ų | 75 | 93.9 Ų | 93.9 | 62% | 0.62 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -56.9 | -36.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | P59 H61 K70 | P59-A63 PolarHBondContact O-N 2.97Å; H61-A63 VanDerWaalsContact C-N 3.26Å; H61-A63 PolarHBondContact O-N 3.09Å; A63-K70 PolarHBondContact O-NZ 2.94Å |
| 64 | R | 96.5 | Very high | 95.3 | Very high | 177 Ų | 177 | 94.6 Ų | 94.6 | 67% | 0.668 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -84.9 | -16.6 | -176.9 | -63.9 | 179.8 | 177.9 | -166.6 | -6.8 | 115.2 | H61 L62 | H61-R64 PolarHBondContact O-N 3.27Å; L62-R64 PolarHBondContact O-N 3.42Å |
| 65 | L | 95.6 | Very high | 95.3 | Very high | 18 Ų | 18 | 96.3 Ų | 96.3 | 9% | 0.094 | 47% | 0.472 | C | S | . | . | S | Bend | trans | -68 | 156.5 | -179.5 | -72.4 | 177.6 | 0 | 0 | 0 | 111.4 | A55 V57 H61 L62 R69 K70 | A55-L65 HydrophobicContact CB-CD1 3.6Å; V57-L65 HydrophobicContact CG1-CD1 4.23Å; V57-L65 HydrophobicContact CG2-CD1 3.77Å; H61-L65 PolarHBondContact O-N 3.09Å; L62-L65 HydrophobicContact CD1-CD1 4.44Å; L62-L65 PolarHBondContact O-N 3.12Å; L65-R69 HydrophobicContact CB-CB 4.34Å; L65-R69 HydrophobicContact CD1-CB 4.28Å; L65-K70 VanDerWaalsContact C-CE 3.5Å; L65-K70 HydrophobicContact CB-CG 4.41Å; L65-K70 WeakPolarHBondContact O-CE 3.44Å; L65-K70 PolarHBondContact O-NZ 3Å |
| 66 | P | 97.1 | Very high | 95.4 | Very high | 73 Ų | 73 | 101.4 Ų | 101.4 | 47% | 0.474 | 49% | 0.486 | S | S | . | . | trans | -70.8 | 156.9 | 169.6 | 31 | -36.8 | 0 | 0 | 0 | 111.2 | P68 R69 | P66-P68 VanDerWaalsContact C-CD 3.46Å; P66-R69 HydrophobicContact CG-CG 4.2Å; P66-R69 PolarHBondContact O-N 3.28Å; P66-R69 VanDerWaalsContact O-N 3.16Å | ||
| 67 | R | 95.2 | Very high | 95.4 | Very high | 197 Ų | 197 | 95.8 Ų | 95.8 | 74% | 0.743 | 47% | 0.472 | S | S | * | . | G | 310 helix | trans | -52.2 | -44.4 | -175.9 | -178 | 175.5 | 176.8 | 154.1 | -2.3 | 114.4 | R69 K70 T71 | R67-R69 PolarHBondContact O-N 2.94Å; R67-K70 PolarHBondContact O-N 3.43Å; R67-T71 HydrophobicContact CG-CG2 4.38Å; R67-T71 PolarHBondContact O-N 3.16Å; R67-T71 VanDerWaalsContact O-N 3.16Å; R67-T71 PolarHBondContact O-OG1 3.41Å |
| 68 | P | 95.4 | Very high | 95.2 | Very high | 100 Ų | 100 | 95.4 Ų | 95.4 | 65% | 0.649 | 48% | 0.475 | S | S | * | . | G | 310 helix | trans | -61 | -22.7 | -178.1 | -24.8 | 35.6 | 0 | 0 | 0 | 114.4 | P66 | P66-P68 VanDerWaalsContact C-CD 3.46Š|
| 69 | R | 94.9 | Very high | 95.3 | Very high | 154 Ų | 154 | 92.6 Ų | 92.6 | 58% | 0.581 | 47% | 0.472 | S | S | * | . | G | 310 helix | trans | -84 | -10.9 | 176 | -66.4 | -173.2 | 177.1 | -175.6 | 0.1 | 113.5 | A55 L65 P66 R67 | A55-R69 HydrophobicContact CB-CB 4.46Å; A55-R69 WeakPolarHBondContact CB-O 3.46Å; A55-R69 PolarHBondContact N-O 3.49Å; L65-R69 HydrophobicContact CB-CB 4.34Å; L65-R69 HydrophobicContact CD1-CB 4.28Å; P66-R69 HydrophobicContact CG-CG 4.2Å; P66-R69 PolarHBondContact O-N 3.28Å; P66-R69 VanDerWaalsContact O-N 3.16Å; R67-R69 PolarHBondContact O-N 2.94Å |
| 70 | K | 94.8 | Very high | 95.3 | Very high | 69 Ų | 69 | 90 Ų | 90 | 30% | 0.3 | 45% | 0.449 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103 | -26.1 | -179.5 | -53.6 | -174.7 | -155.8 | -176.3 | 0 | 112.6 | L62 A63 L65 R67 | L62-K70 HydrophobicContact CD1-CG 4.04Å; L62-K70 WeakPolarHBondContact O-CE 3.42Å; L62-K70 PolarHBondContact O-NZ 2.96Å; A63-K70 PolarHBondContact O-NZ 2.94Å; L65-K70 VanDerWaalsContact C-CE 3.5Å; L65-K70 HydrophobicContact CB-CG 4.41Å; L65-K70 WeakPolarHBondContact O-CE 3.44Å; L65-K70 PolarHBondContact O-NZ 3Å; R67-K70 PolarHBondContact O-N 3.43Å |
| 71 | T | 95.8 | Very high | 95.4 | Very high | 45 Ų | 45 | 81.7 Ų | 81.7 | 28% | 0.276 | 42% | 0.419 | S | S | . | . | trans | -124.4 | 166.5 | -170.9 | 59.3 | 0 | 0 | 0 | 0 | 112.4 | R67 | R67-T71 HydrophobicContact CG-CG2 4.38Å; R67-T71 PolarHBondContact O-N 3.16Å; R67-T71 VanDerWaalsContact O-N 3.16Å; R67-T71 PolarHBondContact O-OG1 3.41Å | ||
| 72 | V | 95.4 | Very high | 95.4 | Very high | 44 Ų | 44 | 80.9 Ų | 80.9 | 27% | 0.267 | 42% | 0.422 | S | S | . | . | trans | -124 | 138.3 | 171.7 | -179.1 | 0 | 0 | 0 | 0 | 107.5 | I54 R74 G77 | I54-V72 HydrophobicContact CG1-CG2 4.2Å; V72-R74 VanDerWaalsContact C-N 3.3Å; V72-R74 HydrophobicContact CG1-CG 4.17Å; V72-R74 PolarHBondContact O-N 3.42Å; V72-G77 WeakPolarHBondContact O-CA 3.19Å | ||
| 73 | N | 95.6 | Very high | 95.5 | Very high | 159 Ų | 159 | 85.3 Ų | 85.3 | 85% | 0.85 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -79.8 | 72.5 | -174.9 | -64.7 | -9.8 | 0 | 0 | 0 | 111.9 | ||
| 74 | R | 94.3 | Very high | 95.6 | Very high | 80 Ų | 80 | 82.5 Ų | 82.5 | 30% | 0.302 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -157.6 | 168.8 | 171.3 | 63.5 | -178.1 | 172 | 91.4 | 6 | 110.9 | V72 Y76 G77 R80 C81 V85 | V72-R74 VanDerWaalsContact C-N 3.3Å; V72-R74 HydrophobicContact CG1-CG 4.17Å; V72-R74 PolarHBondContact O-N 3.42Å; R74-Y76 PolarHBondContact O-N 2.66Å; R74-G77 WeakPolarHBondContact O-CA 3.36Å; R74-G77 PolarHBondContact O-N 3.23Å; R74-R80 PolarHBondContact NH1-O 2.98Å; R74-R80 PolarHBondContact NH2-O 3.25Å; R74-C81 VanDerWaalsContact NH1-C 3.32Å; R74-C81 PolarHBondContact NH1-O 3.09Å; R74-V85 VanDerWaalsContact NH1-CG2 3.26Å |
| 75 | A | 95.9 | Very high | 95.7 | Very high | 59 Ų | 59 | 74.7 Ų | 74.7 | 49% | 0.488 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54 | 132.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | G77 V85 | A75-G77 PolarHBondContact O-N 2.94Å; A75-G77 VanDerWaalsContact O-N 3.15Å; A75-V85 HydrophobicContact CB-CG1 4.33Å |
| 76 | Y | 96.2 | Very high | 95.7 | Very high | 136 Ų | 136 | 77.6 Ų | 77.6 | 53% | 0.533 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.6 | 28.2 | -173.8 | -56 | -88.8 | 0 | 0 | 0 | 114.5 | R74 S79 R80 V85 | R74-Y76 PolarHBondContact O-N 2.66Å; Y76-S79 PolarHBondContact O-N 3.3Å; Y76-S79 PolarHBondContact O-OG 3.37Å; Y76-R80 HydrophobicContact CD1-CG 4.39Å; Y76-R80 HydrophobicContact CG-CG 4.25Å; Y76-R80 PolarHBondContact O-N 3.01Å; Y76-V85 HydrophobicContact CD2-CG2 4.41Å |
| 77 | G | 94.4 | Very high | 95.7 | Very high | 24 Ų | 24 | 78.8 Ų | 78.8 | 25% | 0.247 | 41% | 0.407 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | 142.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | V72 R74 A75 S79 | V72-G77 WeakPolarHBondContact O-CA 3.19Å; R74-G77 WeakPolarHBondContact O-CA 3.36Å; R74-G77 PolarHBondContact O-N 3.23Å; A75-G77 PolarHBondContact O-N 2.94Å; A75-G77 VanDerWaalsContact O-N 3.15Å; G77-S79 PolarHBondContact O-N 2.93Å |
| 78 | G | 92.7 | Very high | 95.8 | Very high | 27 Ų | 27 | 73.4 Ų | 73.4 | 28% | 0.278 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.9 | -20.7 | -178 | 0 | 0 | 0 | 0 | 0 | 115.5 | L51 | L51-G78 WeakPolarHBondContact CD1-O 3.47Š|
| 79 | S | 95.7 | Very high | 96 | Very high | 49 Ų | 49 | 73.7 Ų | 73.7 | 34% | 0.343 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.6 | -37.3 | -174.2 | 61.7 | 0 | 0 | 0 | 0 | 114.3 | G45 Y76 G77 | G45-S79 PolarHBondContact N-O 3.06Å; Y76-S79 PolarHBondContact O-N 3.3Å; Y76-S79 PolarHBondContact O-OG 3.37Å; G77-S79 PolarHBondContact O-N 2.93Å |
| 80 | R | 96.6 | Very high | 96.1 | Very high | 56 Ų | 56 | 69.7 Ų | 69.7 | 21% | 0.211 | 38% | 0.375 | C | S | . | . | S | Bend | trans | -119.2 | 150.7 | -178.4 | -54.1 | -57.8 | 174.8 | 169.2 | -5.4 | 110.8 | G45 D46 R74 Y76 V85 | G45-R80 VanDerWaalsContact CA-NH1 3.28Å; G45-R80 PolarHBondContact O-NH1 3.3Å; D46-R80 VanDerWaalsContact N-NH1 3.1Å; D46-R80 IonicContact OD1-CZ 3.25Å; D46-R80 IonicContact OD1-NH1 3.85Å; D46-R80 PolarHBondContact OD1-NH1 3.43Å; D46-R80 WeakPolarHBondContact OD2-CD 3.46Å; D46-R80 IonicContact OD2-CZ 3.6Å; D46-R80 IonicContact OD2-NE 3.23Å; D46-R80 IonicContact OD2-NH1 2.66Å; D46-R80 PolarHBondContact OD2-NH1 3.15Å; R74-R80 PolarHBondContact NH1-O 2.98Å; R74-R80 PolarHBondContact NH2-O 3.25Å; Y76-R80 HydrophobicContact CD1-CG 4.39Å; Y76-R80 HydrophobicContact CG-CG 4.25Å; Y76-R80 PolarHBondContact O-N 3.01Å; R80-V85 HydrophobicContact CB-CG2 3.68Å |
| 81 | C | 96.2 | Very high | 96.3 | Very high | 12 Ų | 12 | 75.1 Ų | 75.1 | 8% | 0.081 | 39% | 0.393 | C | S | . | . | trans | -81.1 | 164.2 | 174 | 76.4 | 0 | 0 | 0 | 0 | 111.2 | C44 L51 R74 K83 C84 V85 | C44-C81 HydrophobicContact CB-CB 4.18Å; C44-C81 PolarHBondContact SG-N 3.38Å; L51-C81 HydrophobicContact CD2-CB 4.07Å; R74-C81 VanDerWaalsContact NH1-C 3.32Å; R74-C81 PolarHBondContact NH1-O 3.09Å; C81-K83 VanDerWaalsContact C-N 3.34Å; C81-K83 PolarHBondContact O-N 3.26Å; C81-C84 PolarHBondContact O-N 3.34Å; C81-C84 PolarHBondContact SG-N 3.26Å; C81-C84 VanDerWaalsContact SG-N 3.42Å; C81-C84 PolarHBondContact SG-SG 3.06Å; C81-V85 WeakPolarHBondContact O-CG2 3.24Å; C81-V85 PolarHBondContact O-N 3.35Å; C81-V85 VanDerWaalsContact O-N 3.08Å | ||
| 82 | P | 95.8 | Very high | 96.4 | Very high | 81 Ų | 81 | 75.6 Ų | 75.6 | 53% | 0.526 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -57.2 | -46 | -178.4 | -24.6 | 34.9 | 0 | 0 | 0 | 112.4 | C84 V85 T86 | P82-C84 VanDerWaalsContact C-N 3.35Å; P82-C84 PolarHBondContact O-N 3.42Å; P82-V85 PolarHBondContact O-N 3.02Å; P82-T86 PolarHBondContact O-N 3.06Å; P82-T86 PolarHBondContact O-OG1 3.27Å |
| 83 | K | 96.6 | Very high | 96.5 | Very high | 157 Ų | 157 | 79.2 Ų | 79.2 | 68% | 0.683 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -55.8 | -45.3 | 177.5 | -173 | 174.7 | -177.7 | 174.6 | 0 | 112.9 | C81 V85 T86 N87 | C81-K83 VanDerWaalsContact C-N 3.34Å; C81-K83 PolarHBondContact O-N 3.26Å; K83-V85 VanDerWaalsContact C-N 3.34Å; K83-V85 PolarHBondContact O-N 3.45Å; K83-T86 PolarHBondContact O-N 3.49Å; K83-N87 VanDerWaalsContact O-CG 3.28Å; K83-N87 PolarHBondContact O-N 3.06Å; K83-N87 PolarHBondContact O-OD1 3.08Å |
| 84 | C | 97.1 | Very high | 96.6 | Very high | 16 Ų | 16 | 76.3 Ų | 76.3 | 11% | 0.108 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -69.3 | -32.1 | 178.5 | -68.3 | 0 | 0 | 0 | 0 | 112.6 | D46 C81 P82 R88 | D46-C84 HydrophobicContact CB-CB 4.32Å; C81-C84 PolarHBondContact O-N 3.34Å; C81-C84 PolarHBondContact SG-N 3.26Å; C81-C84 VanDerWaalsContact SG-N 3.42Å; C81-C84 PolarHBondContact SG-SG 3.06Å; P82-C84 VanDerWaalsContact C-N 3.35Å; P82-C84 PolarHBondContact O-N 3.42Å; C84-R88 VanDerWaalsContact O-CG 3.29Å; C84-R88 WeakPolarHBondContact O-CG 3.05Å; C84-R88 PolarHBondContact O-N 2.91Å |
| 85 | V | 97.5 | Very high | 96.8 | Very high | 12 Ų | 12 | 75.5 Ų | 75.5 | 7% | 0.073 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -69.2 | -44.8 | 175.2 | 173.9 | 0 | 0 | 0 | 0 | 110.7 | R74 A75 Y76 R80 C81 P82 K83 N87 R88 I89 | R74-V85 VanDerWaalsContact NH1-CG2 3.26Å; A75-V85 HydrophobicContact CB-CG1 4.33Å; Y76-V85 HydrophobicContact CD2-CG2 4.41Å; R80-V85 HydrophobicContact CB-CG2 3.68Å; C81-V85 WeakPolarHBondContact O-CG2 3.24Å; C81-V85 PolarHBondContact O-N 3.35Å; C81-V85 VanDerWaalsContact O-N 3.08Å; P82-V85 PolarHBondContact O-N 3.02Å; K83-V85 VanDerWaalsContact C-N 3.34Å; K83-V85 PolarHBondContact O-N 3.45Å; V85-N87 VanDerWaalsContact C-N 3.35Å; V85-N87 PolarHBondContact O-N 2.93Å; V85-R88 WeakPolarHBondContact O-CB 3.29Å; V85-R88 PolarHBondContact O-N 3.42Å; V85-R88 VanDerWaalsContact O-N 3.15Å; V85-I89 HydrophobicContact CG1-CD1 3.9Å; V85-I89 HydrophobicContact CG1-CG1 4.49Å; V85-I89 WeakPolarHBondContact O-CG1 3.43Å; V85-I89 PolarHBondContact O-N 3.06Å |
| 86 | T | 97.4 | Very high | 96.9 | Very high | 80 Ų | 80 | 77.2 Ų | 77.2 | 49% | 0.491 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -56.6 | -48.1 | 173.5 | -54.7 | 0 | 0 | 0 | 0 | 111.4 | P82 K83 R88 I89 V90 | P82-T86 PolarHBondContact O-N 3.06Å; P82-T86 PolarHBondContact O-OG1 3.27Å; K83-T86 PolarHBondContact O-N 3.49Å; T86-R88 VanDerWaalsContact C-N 3.28Å; T86-R88 PolarHBondContact O-N 3.23Å; T86-I89 PolarHBondContact O-N 2.65Å; T86-I89 VanDerWaalsContact O-N 3.16Å; T86-V90 HydrophobicContact CG2-CG2 4.32Å; T86-V90 WeakPolarHBondContact O-CG2 3.45Å; T86-V90 PolarHBondContact O-N 2.77Å |
| 87 | N | 97.2 | Very high | 97 | Very high | 97 Ų | 97 | 74.7 Ų | 74.7 | 52% | 0.519 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -60.5 | -36.9 | 178 | -70.2 | 0.1 | 0 | 0 | 0 | 112.5 | K83 V85 R91 | K83-N87 VanDerWaalsContact O-CG 3.28Å; K83-N87 PolarHBondContact O-N 3.06Å; K83-N87 PolarHBondContact O-OD1 3.08Å; V85-N87 VanDerWaalsContact C-N 3.35Å; V85-N87 PolarHBondContact O-N 2.93Å; N87-R91 WeakPolarHBondContact O-CB 3.36Å; N87-R91 PolarHBondContact O-N 3.4Å |
| 88 | R | 97.3 | Very high | 97.1 | Very high | 85 Ų | 85 | 79.3 Ų | 79.3 | 32% | 0.321 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -65.6 | -44 | 175.8 | -76.9 | 169.8 | -179.5 | -108 | -8.4 | 111.7 | D46 C84 V85 T86 A92 | D46-R88 IonicContact OD1-NH2 3.61Å; D46-R88 PolarHBondContact OD1-NH2 2.94Å; D46-R88 IonicContact OD2-CZ 2.71Å; D46-R88 IonicContact OD2-NE 3.09Å; D46-R88 PolarHBondContact OD2-NE 3.15Å; D46-R88 IonicContact OD2-NH2 2.98Å; D46-R88 PolarHBondContact OD2-NH2 3.27Å; D46-R88 VanDerWaalsContact OD2-NH2 3.09Å; C84-R88 VanDerWaalsContact O-CG 3.29Å; C84-R88 WeakPolarHBondContact O-CG 3.05Å; C84-R88 PolarHBondContact O-N 2.91Å; V85-R88 WeakPolarHBondContact O-CB 3.29Å; V85-R88 PolarHBondContact O-N 3.42Å; V85-R88 VanDerWaalsContact O-N 3.15Å; T86-R88 VanDerWaalsContact C-N 3.28Å; T86-R88 PolarHBondContact O-N 3.23Å; R88-A92 VanDerWaalsContact O-CB 3.24Å; R88-A92 WeakPolarHBondContact O-CB 3.36Å; R88-A92 PolarHBondContact O-N 3.18Å |
| 89 | I | 97.7 | Very high | 97.4 | Very high | 105 Ų | 105 | 83.3 Ų | 83.3 | 54% | 0.538 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -63.5 | -53.5 | 179.4 | -65.7 | 165.6 | 0 | 0 | 0 | 109.9 | V85 T86 R91 A92 F93 | V85-I89 HydrophobicContact CG1-CD1 3.9Å; V85-I89 HydrophobicContact CG1-CG1 4.49Å; V85-I89 WeakPolarHBondContact O-CG1 3.43Å; V85-I89 PolarHBondContact O-N 3.06Å; T86-I89 PolarHBondContact O-N 2.65Å; T86-I89 VanDerWaalsContact O-N 3.16Å; I89-R91 PolarHBondContact O-N 3.31Å; I89-A92 PolarHBondContact O-N 3.09Å; I89-F93 WeakPolarHBondContact O-CB 3.3Å; I89-F93 PolarHBondContact O-N 3.36Å |
| 90 | V | 98 | Very high | 97.4 | Very high | 71 Ų | 71 | 85.1 Ų | 85.1 | 43% | 0.43 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -61.3 | -44.8 | -179.2 | 175.1 | 0 | 0 | 0 | 0 | 111 | T86 A92 F93 L94 | T86-V90 HydrophobicContact CG2-CG2 4.32Å; T86-V90 WeakPolarHBondContact O-CG2 3.45Å; T86-V90 PolarHBondContact O-N 2.77Å; V90-A92 PolarHBondContact O-N 2.89Å; V90-F93 PolarHBondContact O-N 3.06Å; V90-L94 HydrophobicContact CG1-CD1 3.75Å; V90-L94 HydrophobicContact CG1-CG 4.22Å; V90-L94 WeakPolarHBondContact O-CB 3.18Å; V90-L94 VanDerWaalsContact O-CG 3.3Å; V90-L94 WeakPolarHBondContact O-CG 3.49Å; V90-L94 PolarHBondContact O-N 2.89Å |
| 91 | R | 98 | Very high | 97.5 | Very high | 182 Ų | 182 | 86.1 Ų | 86.1 | 69% | 0.687 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -62.8 | -43.5 | 178.1 | -178.6 | 177.9 | 178.4 | -176.7 | 1 | 112.1 | N87 I89 I95 | N87-R91 WeakPolarHBondContact O-CB 3.36Å; N87-R91 PolarHBondContact O-N 3.4Å; I89-R91 PolarHBondContact O-N 3.31Å; R91-I95 HydrophobicContact CG-CD1 3.64Å; R91-I95 HydrophobicContact CG-CG1 4.38Å; R91-I95 WeakPolarHBondContact O-CB 3.11Å; R91-I95 WeakPolarHBondContact O-CD1 3.36Å; R91-I95 WeakPolarHBondContact O-CG1 3.3Å; R91-I95 PolarHBondContact O-N 3.4Å; R91-I95 VanDerWaalsContact O-N 3.09Å |
| 92 | A | 98 | Very high | 97.5 | Very high | 56 Ų | 56 | 89 Ų | 89 | 46% | 0.463 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -62.6 | -47.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | R88 I89 V90 I95 E96 | R88-A92 VanDerWaalsContact O-CB 3.24Å; R88-A92 WeakPolarHBondContact O-CB 3.36Å; R88-A92 PolarHBondContact O-N 3.18Å; I89-A92 PolarHBondContact O-N 3.09Å; V90-A92 PolarHBondContact O-N 2.89Å; A92-I95 PolarHBondContact O-N 2.93Å; A92-E96 WeakPolarHBondContact O-CG 2.92Å; A92-E96 PolarHBondContact O-N 3.19Å; A92-E96 VanDerWaalsContact O-N 3.09Å |
| 93 | F | 98.4 | Very high | 97.5 | Very high | 119 Ų | 119 | 90.1 Ų | 90.1 | 52% | 0.522 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -57 | -55.6 | 177.1 | 174.5 | -109 | 0 | 0 | 0 | 112 | I89 V90 I95 E96 E97 | I89-F93 WeakPolarHBondContact O-CB 3.3Å; I89-F93 PolarHBondContact O-N 3.36Å; V90-F93 PolarHBondContact O-N 3.06Å; F93-I95 VanDerWaalsContact C-N 3.29Å; F93-I95 PolarHBondContact O-N 3.33Å; F93-E96 PolarHBondContact O-N 3.25Å; F93-E96 VanDerWaalsContact O-N 3.12Å; F93-E97 HydrophobicContact CD1-CG 4.36Å; F93-E97 HydrophobicContact CD2-CG 4.08Å; F93-E97 HydrophobicContact CE1-CG 3.94Å; F93-E97 HydrophobicContact CE2-CG 3.61Å; F93-E97 WeakPolarHBondContact CE2-OE1 3.31Å; F93-E97 HydrophobicContact CG-CG 4.43Å; F93-E97 HydrophobicContact CZ-CG 3.54Å; F93-E97 WeakPolarHBondContact O-CG 3.41Å; F93-E97 PolarHBondContact O-N 3.3Å |
| 94 | L | 98.3 | Very high | 97.5 | Very high | 99 Ų | 99 | 85.6 Ų | 85.6 | 52% | 0.518 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -62.4 | -34.7 | -177.1 | -67.2 | 177.2 | 0 | 0 | 0 | 113.1 | V90 Q98 | V90-L94 HydrophobicContact CG1-CD1 3.75Å; V90-L94 HydrophobicContact CG1-CG 4.22Å; V90-L94 WeakPolarHBondContact O-CB 3.18Å; V90-L94 VanDerWaalsContact O-CG 3.3Å; V90-L94 WeakPolarHBondContact O-CG 3.49Å; V90-L94 PolarHBondContact O-N 2.89Å; L94-Q98 VanDerWaalsContact O-CB 3.24Å; L94-Q98 WeakPolarHBondContact O-CB 3.49Å; L94-Q98 PolarHBondContact O-N 2.87Å |
| 95 | I | 98.2 | Very high | 97.4 | Very high | 62 Ų | 62 | 89.2 Ų | 89.2 | 32% | 0.318 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -67.4 | -42.3 | 176.3 | -72.9 | 172.2 | 0 | 0 | 0 | 110.8 | R91 A92 F93 Q98 K99 | R91-I95 HydrophobicContact CG-CD1 3.64Å; R91-I95 HydrophobicContact CG-CG1 4.38Å; R91-I95 WeakPolarHBondContact O-CB 3.11Å; R91-I95 WeakPolarHBondContact O-CD1 3.36Å; R91-I95 WeakPolarHBondContact O-CG1 3.3Å; R91-I95 PolarHBondContact O-N 3.4Å; R91-I95 VanDerWaalsContact O-N 3.09Å; A92-I95 PolarHBondContact O-N 2.93Å; F93-I95 VanDerWaalsContact C-N 3.29Å; F93-I95 PolarHBondContact O-N 3.33Å; I95-Q98 PolarHBondContact O-N 3.03Å; I95-K99 HydrophobicContact CG2-CD 4.34Å; I95-K99 VanDerWaalsContact O-CG 3.27Å; I95-K99 WeakPolarHBondContact O-CG 3.36Å; I95-K99 PolarHBondContact O-N 3.16Å |
| 96 | E | 98 | Very high | 97.2 | Very high | 96 Ų | 96 | 95.4 Ų | 95.4 | 45% | 0.449 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -66.3 | -44.1 | 176.9 | -68.5 | -53.5 | 134.2 | 0 | 0 | 111.5 | A92 F93 Q98 K99 I100 | A92-E96 WeakPolarHBondContact O-CG 2.92Å; A92-E96 PolarHBondContact O-N 3.19Å; A92-E96 VanDerWaalsContact O-N 3.09Å; F93-E96 PolarHBondContact O-N 3.25Å; F93-E96 VanDerWaalsContact O-N 3.12Å; E96-Q98 VanDerWaalsContact C-N 3.35Å; E96-Q98 PolarHBondContact O-N 3.06Å; E96-K99 WeakPolarHBondContact O-CB 3.47Å; E96-K99 PolarHBondContact O-N 2.88Å; E96-K99 VanDerWaalsContact O-N 3.15Å; E96-K99 IonicContact OE1-NZ 3.85Å; E96-K99 PolarHBondContact OE1-NZ 2.92Å; E96-K99 IonicContact OE2-NZ 3.86Å; E96-I100 WeakPolarHBondContact O-CG1 3.49Å; E96-I100 PolarHBondContact O-N 3.36Å |
| 97 | E | 98 | Very high | 97.1 | Very high | 83 Ų | 83 | 97.4 Ų | 97.4 | 39% | 0.388 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -57.7 | -46.7 | 173.9 | -69.9 | -58.9 | 130.9 | 0 | 0 | 111.7 | F93 K99 I100 V101 | F93-E97 HydrophobicContact CD1-CG 4.36Å; F93-E97 HydrophobicContact CD2-CG 4.08Å; F93-E97 HydrophobicContact CE1-CG 3.94Å; F93-E97 HydrophobicContact CE2-CG 3.61Å; F93-E97 WeakPolarHBondContact CE2-OE1 3.31Å; F93-E97 HydrophobicContact CG-CG 4.43Å; F93-E97 HydrophobicContact CZ-CG 3.54Å; F93-E97 WeakPolarHBondContact O-CG 3.41Å; F93-E97 PolarHBondContact O-N 3.3Å; E97-K99 VanDerWaalsContact C-N 3.31Å; E97-K99 PolarHBondContact O-N 3.07Å; E97-I100 PolarHBondContact O-N 3.17Å; E97-V101 WeakPolarHBondContact O-CG2 3.47Å; E97-V101 PolarHBondContact O-N 2.76Å |
| 98 | Q | 97.3 | Very high | 96.8 | Very high | 120 Ų | 120 | 101.1 Ų | 101.1 | 56% | 0.561 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -62.2 | -37.8 | 177.7 | -172.3 | -178.3 | 12.6 | 0 | 0 | 112.1 | L94 I95 E96 N102 | L94-Q98 VanDerWaalsContact O-CB 3.24Å; L94-Q98 WeakPolarHBondContact O-CB 3.49Å; L94-Q98 PolarHBondContact O-N 2.87Å; I95-Q98 PolarHBondContact O-N 3.03Å; E96-Q98 VanDerWaalsContact C-N 3.35Å; E96-Q98 PolarHBondContact O-N 3.06Å; Q98-N102 WeakPolarHBondContact O-CB 2.72Å; Q98-N102 PolarHBondContact O-N 2.88Å; Q98-N102 PolarHBondContact O-ND2 3.17Å |
| 99 | K | 97.7 | Very high | 96.5 | Very high | 111 Ų | 111 | 100.5 Ų | 100.5 | 48% | 0.483 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.9 | -46 | 175.5 | -76.1 | 170.6 | -177.5 | 174.7 | 0 | 111.4 | I95 E96 E97 N102 E103 | I95-K99 HydrophobicContact CG2-CD 4.34Å; I95-K99 VanDerWaalsContact O-CG 3.27Å; I95-K99 WeakPolarHBondContact O-CG 3.36Å; I95-K99 PolarHBondContact O-N 3.16Å; E96-K99 WeakPolarHBondContact O-CB 3.47Å; E96-K99 PolarHBondContact O-N 2.88Å; E96-K99 VanDerWaalsContact O-N 3.15Å; E96-K99 IonicContact OE1-NZ 3.85Å; E96-K99 PolarHBondContact OE1-NZ 2.92Å; E96-K99 IonicContact OE2-NZ 3.86Å; E97-K99 VanDerWaalsContact C-N 3.31Å; E97-K99 PolarHBondContact O-N 3.07Å; K99-N102 PolarHBondContact O-N 3.42Å; K99-E103 PolarHBondContact O-N 3Å |
| 100 | I | 97.1 | Very high | 96.1 | Very high | 88 Ų | 88 | 102.7 Ų | 102.7 | 45% | 0.451 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.1 | -48 | 178.3 | -65.5 | 166.6 | 0 | 0 | 0 | 110.2 | E96 E97 N102 E103 V104 | E96-I100 WeakPolarHBondContact O-CG1 3.49Å; E96-I100 PolarHBondContact O-N 3.36Å; E97-I100 PolarHBondContact O-N 3.17Å; I100-N102 VanDerWaalsContact C-N 3.32Å; I100-N102 PolarHBondContact O-N 2.84Å; I100-E103 PolarHBondContact O-N 3.48Å; I100-E103 VanDerWaalsContact O-N 3.14Å; I100-V104 HydrophobicContact CG2-CG2 4.46Å; I100-V104 WeakPolarHBondContact O-CG2 3.16Å; I100-V104 PolarHBondContact O-N 3.43Å |
| 101 | V | 96.8 | Very high | 95.6 | Very high | 77 Ų | 77 | 103.7 Ų | 103.7 | 47% | 0.467 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -57.7 | -45.7 | 177.3 | 171.9 | 0 | 0 | 0 | 0 | 111.1 | E97 E103 V104 L105 | E97-V101 WeakPolarHBondContact O-CG2 3.47Å; E97-V101 PolarHBondContact O-N 2.76Å; V101-E103 VanDerWaalsContact C-N 3.32Å; V101-E103 PolarHBondContact O-N 3.25Å; V101-V104 PolarHBondContact O-N 3.25Å; V101-L105 HydrophobicContact CG1-CD1 3.92Å; V101-L105 HydrophobicContact CG1-CG 4.33Å; V101-L105 WeakPolarHBondContact O-CB 3.21Å; V101-L105 VanDerWaalsContact O-CG 3.29Å; V101-L105 WeakPolarHBondContact O-CG 3.32Å; V101-L105 PolarHBondContact O-N 3.42Å |
| 102 | N | 96.5 | Very high | 95 | Very high | 73 Ų | 73 | 103 Ų | 103 | 39% | 0.39 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.3 | -37.5 | 177.8 | -74.5 | -24.7 | 0 | 0 | 0 | 112.6 | Q98 K99 I100 K106 | Q98-N102 WeakPolarHBondContact O-CB 2.72Å; Q98-N102 PolarHBondContact O-N 2.88Å; Q98-N102 PolarHBondContact O-ND2 3.17Å; K99-N102 PolarHBondContact O-N 3.42Å; I100-N102 VanDerWaalsContact C-N 3.32Å; I100-N102 PolarHBondContact O-N 2.84Å; N102-K106 WeakPolarHBondContact O-CB 3.43Å; N102-K106 VanDerWaalsContact O-CG 3.24Å; N102-K106 WeakPolarHBondContact O-CG 3.46Å; N102-K106 PolarHBondContact O-N 3.46Å |
| 103 | E | 96.4 | Very high | 94.2 | Very high | 103 Ų | 103 | 104.5 Ų | 104.5 | 48% | 0.481 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.8 | -44 | 176.2 | -165.8 | -171.8 | 147.8 | 0 | 0 | 111.9 | K99 I100 V101 K106 K107 | K99-E103 PolarHBondContact O-N 3Å; I100-E103 PolarHBondContact O-N 3.48Å; I100-E103 VanDerWaalsContact O-N 3.14Å; V101-E103 VanDerWaalsContact C-N 3.32Å; V101-E103 PolarHBondContact O-N 3.25Å; E103-K106 PolarHBondContact O-N 3.16Å; E103-K107 WeakPolarHBondContact O-CG 3.44Å; E103-K107 PolarHBondContact O-N 3Å; E103-K107 WeakPolarHBondContact OE1-CE 3.49Å; E103-K107 IonicContact OE1-NZ 2.69Å; E103-K107 PolarHBondContact OE1-NZ 3.43Å |
| 104 | V | 95.8 | Very high | 93.3 | Very high | 62 Ų | 62 | 104.1 Ų | 104.1 | 38% | 0.376 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.9 | -43.2 | 176.8 | 173.6 | 0 | 0 | 0 | 0 | 111.1 | I100 V101 K106 K107 R108 | I100-V104 HydrophobicContact CG2-CG2 4.46Å; I100-V104 WeakPolarHBondContact O-CG2 3.16Å; I100-V104 PolarHBondContact O-N 3.43Å; V101-V104 PolarHBondContact O-N 3.25Å; V104-K106 PolarHBondContact O-N 3.31Å; V104-K107 PolarHBondContact O-N 3.11Å; V104-R108 WeakPolarHBondContact O-CG 3.39Å; V104-R108 PolarHBondContact O-N 3.37Å |
| 105 | L | 95.3 | Very high | 92.2 | Very high | 93 Ų | 93 | 103.5 Ų | 103.5 | 49% | 0.487 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.2 | -41.5 | 175.9 | -71.2 | 174.3 | 0 | 0 | 0 | 111.9 | V101 R108 S109 | V101-L105 HydrophobicContact CG1-CD1 3.92Å; V101-L105 HydrophobicContact CG1-CG 4.33Å; V101-L105 WeakPolarHBondContact O-CB 3.21Å; V101-L105 VanDerWaalsContact O-CG 3.29Å; V101-L105 WeakPolarHBondContact O-CG 3.32Å; V101-L105 PolarHBondContact O-N 3.42Å; L105-R108 PolarHBondContact O-N 2.85Å; L105-S109 PolarHBondContact O-N 3.04Å; L105-S109 PolarHBondContact O-OG 3.23Å |
| 106 | K | 94.7 | Very high | 90.5 | Very high | 141 Ų | 141 | 105.6 Ų | 105.6 | 61% | 0.613 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -63.9 | -38.6 | 173.9 | -74.9 | 172.6 | -177.7 | -178.5 | 0 | 112.7 | N102 E103 V104 S109 K110 | N102-K106 WeakPolarHBondContact O-CB 3.43Å; N102-K106 VanDerWaalsContact O-CG 3.24Å; N102-K106 WeakPolarHBondContact O-CG 3.46Å; N102-K106 PolarHBondContact O-N 3.46Å; E103-K106 PolarHBondContact O-N 3.16Å; V104-K106 PolarHBondContact O-N 3.31Å; K106-S109 PolarHBondContact O-OG 3.48Å; K106-K110 VanDerWaalsContact O-CG 3.32Å; K106-K110 WeakPolarHBondContact O-CG 3.09Å; K106-K110 PolarHBondContact O-N 2.9Å |
| 107 | K | 93.9 | Very high | 88.9 | Confident | 122 Ų | 122 | 111 Ų | 111 | 53% | 0.53 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -65.6 | -44.4 | 174.9 | -77.2 | 171.3 | 169.1 | 165.7 | 0 | 111 | E103 V104 K110 V111 | E103-K107 WeakPolarHBondContact O-CG 3.44Å; E103-K107 PolarHBondContact O-N 3Å; E103-K107 WeakPolarHBondContact OE1-CE 3.49Å; E103-K107 IonicContact OE1-NZ 2.69Å; E103-K107 PolarHBondContact OE1-NZ 3.43Å; V104-K107 PolarHBondContact O-N 3.11Å; K107-K110 PolarHBondContact O-N 2.93Å; K107-V111 WeakPolarHBondContact O-CG2 3.5Å; K107-V111 PolarHBondContact O-N 3Å; K107-V111 VanDerWaalsContact O-N 3.11Å |
| 108 | R | 91.7 | Very high | 86.9 | Confident | 175 Ų | 175 | 117.6 Ų | 117.6 | 66% | 0.66 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -64.2 | -40.7 | 177.1 | -73.3 | 179.9 | 176.1 | -175.4 | -0.9 | 113.2 | V104 L105 V111 K112 | V104-R108 WeakPolarHBondContact O-CG 3.39Å; V104-R108 PolarHBondContact O-N 3.37Å; L105-R108 PolarHBondContact O-N 2.85Å; R108-V111 PolarHBondContact O-N 3.26Å; R108-K112 WeakPolarHBondContact O-CB 3.41Å; R108-K112 PolarHBondContact O-N 2.87Å |
| 109 | S | 90.6 | Very high | 86.4 | Confident | 72 Ų | 72 | 117.5 Ų | 117.5 | 50% | 0.503 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -66.6 | -37.6 | 177.9 | 63.4 | 0 | 0 | 0 | 0 | 112.4 | L105 K106 K112 A113 | L105-S109 PolarHBondContact O-N 3.04Å; L105-S109 PolarHBondContact O-OG 3.23Å; K106-S109 PolarHBondContact O-OG 3.48Å; S109-K112 PolarHBondContact O-N 2.91Å; S109-A113 WeakPolarHBondContact O-CB 3Å; S109-A113 PolarHBondContact O-N 3.1Å |
| 110 | K | 89.3 | Confident | 85.8 | Confident | 151 Ų | 151 | 117.8 Ų | 117.8 | 66% | 0.657 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -61.2 | -48.3 | 172.2 | -73.7 | 177.6 | 179.7 | -170.8 | 0 | 112 | K106 K107 K112 A113 T114 | K106-K110 VanDerWaalsContact O-CG 3.32Å; K106-K110 WeakPolarHBondContact O-CG 3.09Å; K106-K110 PolarHBondContact O-N 2.9Å; K107-K110 PolarHBondContact O-N 2.93Å; K110-K112 PolarHBondContact O-N 2.96Å; K110-A113 PolarHBondContact O-N 2.84Å; K110-T114 PolarHBondContact O-N 3.18Å; K110-T114 PolarHBondContact O-OG1 2.89Å |
| 111 | V | 87.9 | Confident | 85.2 | Confident | 92 Ų | 92 | 119.5 Ų | 119.5 | 56% | 0.558 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -61 | -44.4 | 177.9 | 174.5 | 0 | 0 | 0 | 0 | 111.3 | K107 R108 A113 T114 T115 | K107-V111 WeakPolarHBondContact O-CG2 3.5Å; K107-V111 PolarHBondContact O-N 3Å; K107-V111 VanDerWaalsContact O-N 3.11Å; R108-V111 PolarHBondContact O-N 3.26Å; V111-A113 VanDerWaalsContact C-N 3.3Å; V111-A113 PolarHBondContact O-N 3.28Å; V111-T114 WeakPolarHBondContact CA-OG1 3.49Å; V111-T114 PolarHBondContact O-N 2.98Å; V111-T114 VanDerWaalsContact O-N 3.13Å; V111-T114 PolarHBondContact O-OG1 2.99Å; V111-T115 PolarHBondContact O-N 3.08Å; V111-T115 VanDerWaalsContact O-N 3.09Å; V111-T115 PolarHBondContact O-OG1 2.87Å |
| 112 | K | 84.4 | Confident | 84.5 | Confident | 167 Ų | 167 | 122 Ų | 122 | 73% | 0.726 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -65 | -29.6 | 178.4 | -172.1 | 176 | 180 | 178.7 | 0 | 113.5 | R108 S109 K110 T114 | R108-K112 WeakPolarHBondContact O-CB 3.41Å; R108-K112 PolarHBondContact O-N 2.87Å; S109-K112 PolarHBondContact O-N 2.91Å; K110-K112 PolarHBondContact O-N 2.96Å; K112-T114 VanDerWaalsContact C-N 3.35Å |
| 113 | A | 81.2 | Confident | 83.8 | Confident | 89 Ų | 89 | 125.1 Ų | 125.1 | 74% | 0.736 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -74.4 | -27.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | S109 K110 V111 | S109-A113 WeakPolarHBondContact O-CB 3Å; S109-A113 PolarHBondContact O-N 3.1Å; K110-A113 PolarHBondContact O-N 2.84Å; V111-A113 VanDerWaalsContact C-N 3.3Å; V111-A113 PolarHBondContact O-N 3.28Å |
| 114 | T | 80.4 | Confident | 82.9 | Confident | 111 Ų | 111 | 126.5 Ų | 126.5 | 68% | 0.681 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -88.6 | -21.2 | 179.4 | 51.6 | 0 | 0 | 0 | 0 | 114.3 | K110 V111 K112 P116 | K110-T114 PolarHBondContact O-N 3.18Å; K110-T114 PolarHBondContact O-OG1 2.89Å; V111-T114 WeakPolarHBondContact CA-OG1 3.49Å; V111-T114 PolarHBondContact O-N 2.98Å; V111-T114 VanDerWaalsContact O-N 3.13Å; V111-T114 PolarHBondContact O-OG1 2.99Å; K112-T114 VanDerWaalsContact C-N 3.35Å; T114-P116 WeakPolarHBondContact O-CD 2.78Å |
| 115 | T | 74.6 | Confident | 82 | Confident | 86 Ų | 86 | 131.1 Ų | 131.1 | 53% | 0.528 | 68% | 0.676 | S | S | . | * | S | Bend | trans | -75.4 | 120.1 | 174.8 | 11.2 | 0 | 0 | 0 | 0 | 110.4 | V111 K117 | V111-T115 PolarHBondContact O-N 3.08Å; V111-T115 VanDerWaalsContact O-N 3.09Å; V111-T115 PolarHBondContact O-OG1 2.87Å; T115-K117 PolarHBondContact O-N 2.9Å |
| 116 | P | 63.8 | Low | 81 | Confident | 106 Ų | 106 | 134.1 Ų | 134.1 | 69% | 0.688 | 69% | 0.69 | S | S | * | * | trans | -62.6 | 132 | 174 | 25.7 | -31.6 | 0 | 0 | 0 | 109.3 | T114 N118 | T114-P116 WeakPolarHBondContact O-CD 2.78Å; P116-N118 PolarHBondContact O-N 3.1Å; P116-N118 VanDerWaalsContact O-N 3.07Å | ||
| 117 | K | 64.6 | Low | 79.9 | Confident | 209 Ų | 209 | 133.5 Ų | 133.5 | 91% | 0.909 | 70% | 0.697 | S | S | * | * | trans | -69.5 | 99.2 | 165.5 | -71.1 | 177.9 | 179.3 | 177 | 0 | 106.5 | T115 | T115-K117 PolarHBondContact O-N 2.9Š| ||
| 118 | N | 56.1 | Low | 78.6 | Confident | 222 Ų | 222 | 134.5 Ų | 134.5 | 100% | 1.187 | 71% | 0.712 | S | S | * | * | trans | -68.4 | 0 | 160.6 | -76.4 | -2.7 | 0 | 0 | 0 | 110 | P116 | P116-N118 PolarHBondContact O-N 3.1Å; P116-N118 VanDerWaalsContact O-N 3.07Å |
Retrieved 118 of 118 residues in 730.5 ms
(Link to these results)