| 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 | 41.4 | Very low | 45.6 | Very low | 242 Ų | 242 | 117.6 Ų | 117.6 | 100% | 1.192 | 65% | 0.648 | S | S | * | * | 0 | 108.1 | 0 | -136.6 | 172 | 172.3 | 0 | 0 | 106.1 | E3 | M1-E3 PolarHBondContact O-N 3.33Š| |||
| 2 | L | 41.7 | Very low | 46.7 | Very low | 176 Ų | 176 | 114 Ų | 114 | 92% | 0.921 | 66% | 0.658 | S | S | * | * | trans | -72.7 | 110.4 | -172.9 | -86.9 | 136 | 0 | 0 | 0 | 109.9 | S4 | L2-S4 PolarHBondContact O-N 3.12Š| ||
| 3 | E | 42.9 | Very low | 46.3 | Very low | 132 Ų | 132 | 116.8 Ų | 116.8 | 62% | 0.617 | 66% | 0.658 | S | S | * | * | trans | -71.2 | 111.7 | 171.9 | -64.5 | -166.3 | 130.5 | 0 | 0 | 109.2 | M1 K18 | M1-E3 PolarHBondContact O-N 3.33Å; E3-K18 IonicContact OE1-NZ 2.75Å; E3-K18 PolarHBondContact OE1-NZ 3.1Å; E3-K18 IonicContact OE2-NZ 3.55Å | ||
| 4 | S | 48.4 | Very low | 46.8 | Very low | 55 Ų | 55 | 114.4 Ų | 114.4 | 39% | 0.385 | 65% | 0.647 | S | S | . | * | trans | -89.6 | 105.5 | 171.5 | 58 | 0 | 0 | 0 | 0 | 109.5 | L2 S19 | L2-S4 PolarHBondContact O-N 3.12Å; S4-S19 PolarHBondContact O-N 3.3Å; S4-S19 PolarHBondContact OG-OG 2.96Å | ||
| 5 | H | 47.6 | Very low | 46.6 | Very low | 117 Ų | 117 | 114.1 Ų | 114.1 | 54% | 0.542 | 64% | 0.635 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -78 | 124.7 | 167.9 | -78 | -86.3 | 0 | 0 | 0 | 108.9 | ||
| 6 | Q | 53.8 | Low | 46.5 | Very low | 92 Ų | 92 | 115.6 Ų | 115.6 | 43% | 0.43 | 64% | 0.636 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -111.6 | 145.4 | 170.2 | -71.1 | -172.8 | -10.3 | 0 | 0 | 108.9 | H16 Y17 | Q6-H16 WeakPolarHBondContact O-CA 3.49Å; Q6-Y17 HydrophobicContact CB-CD2 4.3Å; Q6-Y17 HydrophobicContact CB-CE1 4Å; Q6-Y17 HydrophobicContact CB-CE2 3.69Å; Q6-Y17 PolarHBondContact N-O 3.49Å; Q6-Y17 PolarHBondContact O-N 2.83Å; Q6-Y17 PolarHBondContact OE1-OH 3.31Å |
| 7 | S | 53.6 | Low | 46.5 | Very low | 71 Ų | 71 | 114.8 Ų | 114.8 | 50% | 0.497 | 62% | 0.622 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -124.1 | 131.3 | 176.6 | 55.7 | 0 | 0 | 0 | 0 | 110 | F15 | S7-F15 CarbonylContact C-O 3.56Å; S7-F15 WeakPolarHBondContact CA-O 3.43Å |
| 8 | T | 46.4 | Very low | 46.5 | Very low | 72 Ų | 72 | 115.1 Ų | 115.1 | 44% | 0.442 | 62% | 0.616 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -119.5 | 145.1 | 170.5 | -172.2 | 0 | 0 | 0 | 0 | 109.5 | F15 Y17 | T8-F15 HydrophobicContact CG2-CB 4.26Å; T8-F15 PolarHBondContact N-O 2.77Å; T8-F15 PolarHBondContact O-N 2.75Å; T8-Y17 HydrophobicContact CG2-CD1 4.11Å; T8-Y17 HydrophobicContact CG2-CE1 3.78Å |
| 9 | T | 43.4 | Very low | 46.3 | Very low | 88 Ų | 88 | 111.1 Ų | 111.1 | 54% | 0.54 | 60% | 0.598 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -107.7 | 121.9 | -178.6 | -43.2 | 0 | 0 | 0 | 0 | 108.7 | K13 V14 | T9-K13 WeakPolarHBondContact CA-O 3.28Å; T9-K13 WeakPolarHBondContact CG2-O 3.35Å; T9-V14 HydrophobicContact CG2-CG2 4.06Å |
| 10 | F | 34.9 | Very low | 46.3 | Very low | 169 Ų | 169 | 110.8 Ų | 110.8 | 74% | 0.741 | 59% | 0.591 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -129.5 | 125.6 | 176.3 | -163.4 | -92.9 | 0 | 0 | 0 | 109.5 | G12 K13 F15 | F10-G12 VanDerWaalsContact C-N 3.29Å; F10-G12 PolarHBondContact O-N 2.95Å; F10-K13 PolarHBondContact N-O 3.07Å; F10-K13 PolarHBondContact O-N 2.83Å; F10-K13 VanDerWaalsContact O-N 3.12Å; F10-F15 HydrophobicContact CB-CD2 4.25Å; F10-F15 HydrophobicContact CB-CE2 3.97Å |
| 11 | G | 47.2 | Very low | 46.3 | Very low | 80 Ų | 80 | 112 Ų | 112 | 83% | 0.825 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 59.6 | 33.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | K13 | G11-K13 PolarHBondContact O-N 3.37Š|
| 12 | G | 59.8 | Low | 46.6 | Very low | 74 Ų | 74 | 104.8 Ų | 104.8 | 76% | 0.763 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 76.8 | 2.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | F10 | F10-G12 VanDerWaalsContact C-N 3.29Å; F10-G12 PolarHBondContact O-N 2.95Å |
| 13 | K | 41.5 | Very low | 46.8 | Very low | 151 Ų | 151 | 103 Ų | 103 | 66% | 0.657 | 56% | 0.556 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -105.1 | 130.7 | 173.2 | -70 | -176.6 | 178.4 | 178.8 | 0 | 110.5 | T9 F10 G11 F15 | T9-K13 WeakPolarHBondContact CA-O 3.28Å; T9-K13 WeakPolarHBondContact CG2-O 3.35Å; F10-K13 PolarHBondContact N-O 3.07Å; F10-K13 PolarHBondContact O-N 2.83Å; F10-K13 VanDerWaalsContact O-N 3.12Å; G11-K13 PolarHBondContact O-N 3.37Å; K13-F15 HydrophobicContact CB-CE2 3.83Å; K13-F15 HydrophobicContact CB-CZ 4.14Å; K13-F15 VanDerWaalsContact O-CD2 3.28Å; K13-F15 WeakPolarHBondContact O-CD2 3.45Å; K13-F15 WeakPolarHBondContact O-CE2 3.22Å |
| 14 | V | 52.8 | Low | 47.3 | Very low | 83 Ų | 83 | 100.3 Ų | 100.3 | 50% | 0.503 | 55% | 0.546 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 121.6 | 175.6 | -177.7 | 0 | 0 | 0 | 0 | 108.9 | T9 | T9-V14 HydrophobicContact CG2-CG2 4.06Å |
| 15 | F | 44.2 | Very low | 47.5 | Very low | 109 Ų | 109 | 105.3 Ų | 105.3 | 48% | 0.478 | 56% | 0.563 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -105.4 | 111 | 176.4 | -66.1 | -89.8 | 0 | 0 | 0 | 109.1 | S7 T8 F10 K13 | S7-F15 CarbonylContact C-O 3.56Å; S7-F15 WeakPolarHBondContact CA-O 3.43Å; T8-F15 HydrophobicContact CG2-CB 4.26Å; T8-F15 PolarHBondContact N-O 2.77Å; T8-F15 PolarHBondContact O-N 2.75Å; F10-F15 HydrophobicContact CB-CD2 4.25Å; F10-F15 HydrophobicContact CB-CE2 3.97Å; K13-F15 HydrophobicContact CB-CE2 3.83Å; K13-F15 HydrophobicContact CB-CZ 4.14Å; K13-F15 VanDerWaalsContact O-CD2 3.28Å; K13-F15 WeakPolarHBondContact O-CD2 3.45Å; K13-F15 WeakPolarHBondContact O-CE2 3.22Å |
| 16 | H | 44.1 | Very low | 47.7 | Very low | 139 Ų | 139 | 106.2 Ų | 106.2 | 64% | 0.644 | 57% | 0.571 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -82.6 | 118.4 | 169.1 | -62.4 | -82.8 | 0 | 0 | 0 | 108.9 | Q6 | Q6-H16 WeakPolarHBondContact O-CA 3.49Å |
| 17 | Y | 47.7 | Very low | 47.7 | Very low | 102 Ų | 102 | 105.7 Ų | 105.7 | 40% | 0.4 | 57% | 0.568 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -119.4 | 141.9 | 172.9 | 63.6 | -86.3 | 0 | 0 | 0 | 110 | Q6 T8 S19 | Q6-Y17 HydrophobicContact CB-CD2 4.3Å; Q6-Y17 HydrophobicContact CB-CE1 4Å; Q6-Y17 HydrophobicContact CB-CE2 3.69Å; Q6-Y17 PolarHBondContact N-O 3.49Å; Q6-Y17 PolarHBondContact O-N 2.83Å; Q6-Y17 PolarHBondContact OE1-OH 3.31Å; T8-Y17 HydrophobicContact CG2-CD1 4.11Å; T8-Y17 HydrophobicContact CG2-CE1 3.78Å; Y17-S19 PolarHBondContact O-N 2.95Å |
| 18 | K | 45.4 | Very low | 47.6 | Very low | 120 Ų | 120 | 105.5 Ų | 105.5 | 52% | 0.522 | 56% | 0.561 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -73.4 | 118.7 | 168 | -72.7 | -166.7 | 172.9 | -161.3 | 0 | 106.9 | E3 F20 | E3-K18 IonicContact OE1-NZ 2.75Å; E3-K18 PolarHBondContact OE1-NZ 3.1Å; E3-K18 IonicContact OE2-NZ 3.55Å; K18-F20 PolarHBondContact O-N 3.27Å; K18-F20 VanDerWaalsContact O-N 3.1Å |
| 19 | S | 43.3 | Very low | 48.1 | Very low | 38 Ų | 38 | 107.4 Ų | 107.4 | 27% | 0.266 | 57% | 0.568 | S | S | . | * | trans | -66.3 | 113.9 | 170.6 | 89.1 | 0 | 0 | 0 | 0 | 107.1 | S4 Y17 H21 | S4-S19 PolarHBondContact O-N 3.3Å; S4-S19 PolarHBondContact OG-OG 2.96Å; Y17-S19 PolarHBondContact O-N 2.95Å; S19-H21 PolarHBondContact O-N 3.27Å | ||
| 20 | F | 46.6 | Very low | 48.9 | Very low | 106 Ų | 106 | 105.7 Ų | 105.7 | 47% | 0.465 | 55% | 0.553 | S | S | . | * | trans | -76.5 | 111.4 | 174.4 | -123.3 | -91.9 | 0 | 0 | 0 | 106.6 | K18 | K18-F20 PolarHBondContact O-N 3.27Å; K18-F20 VanDerWaalsContact O-N 3.1Å | ||
| 21 | H | 46.1 | Very low | 50 | Low | 135 Ų | 135 | 100.6 Ų | 100.6 | 63% | 0.625 | 53% | 0.533 | S | S | * | . | trans | -53.8 | 127.2 | 173 | -113.5 | -77.3 | 0 | 0 | 0 | 108.3 | S19 N23 | S19-H21 PolarHBondContact O-N 3.27Å; H21-N23 PolarHBondContact O-N 2.85Å | ||
| 22 | P | 48 | Very low | 50.5 | Low | 91 Ų | 91 | 103 Ų | 103 | 59% | 0.591 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | 14.9 | -176.1 | 26.2 | -34.2 | 0 | 0 | 0 | 114.4 | N28 | P22-N28 PolarHBondContact O-ND2 3.4Š|
| 23 | N | 46.2 | Very low | 50.6 | Low | 139 Ų | 139 | 104.3 Ų | 104.3 | 74% | 0.743 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | 3.2 | -179.4 | -101.6 | -0.9 | 0 | 0 | 0 | 114.5 | H21 Q25 | H21-N23 PolarHBondContact O-N 2.85Å; N23-Q25 PolarHBondContact O-N 2.79Å |
| 24 | N | 53.1 | Low | 51.6 | Low | 75 Ų | 75 | 99 Ų | 99 | 40% | 0.401 | 49% | 0.489 | S | S | . | . | trans | -75.1 | 85.7 | 162.5 | -101.4 | 7.7 | 0 | 0 | 0 | 108 | L26 F27 N28 | N24-L26 PolarHBondContact O-N 3.47Å; N24-F27 HydrophobicContact CB-CB 3.95Å; N24-F27 WeakPolarHBondContact O-CA 3.36Å; N24-F27 WeakPolarHBondContact O-CB 3.25Å; N24-F27 PolarHBondContact O-N 3.31Å; N24-N28 PolarHBondContact O-N 2.74Å | ||
| 25 | Q | 52.3 | Low | 52 | Low | 161 Ų | 161 | 100.3 Ų | 100.3 | 75% | 0.752 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -46.3 | -36.2 | 174.3 | -73.3 | -178.5 | -22.7 | 0 | 0 | 111.5 | N23 F27 N28 L29 | N23-Q25 PolarHBondContact O-N 2.79Å; Q25-F27 PolarHBondContact O-N 3Å; Q25-N28 PolarHBondContact O-N 3.28Å; Q25-L29 WeakPolarHBondContact O-CB 3.45Å; Q25-L29 PolarHBondContact O-N 3.28Å |
| 26 | L | 52.2 | Low | 52.8 | Low | 136 Ų | 136 | 100.3 Ų | 100.3 | 71% | 0.712 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.4 | -37.1 | 175.7 | -121.7 | 145.2 | 0 | 0 | 0 | 114 | N24 F30 | N24-L26 PolarHBondContact O-N 3.47Å; L26-F30 VanDerWaalsContact O-CB 3.28Å; L26-F30 WeakPolarHBondContact O-CB 3.43Å; L26-F30 PolarHBondContact O-N 3.49Å |
| 27 | F | 52.3 | Low | 53.5 | Low | 81 Ų | 81 | 98.1 Ų | 98.1 | 36% | 0.355 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -74.6 | -40.1 | 177.4 | -173.8 | -101.2 | 0 | 0 | 0 | 111.4 | N24 Q25 F30 N31 F70 | N24-F27 HydrophobicContact CB-CB 3.95Å; N24-F27 WeakPolarHBondContact O-CA 3.36Å; N24-F27 WeakPolarHBondContact O-CB 3.25Å; N24-F27 PolarHBondContact O-N 3.31Å; Q25-F27 PolarHBondContact O-N 3Å; F27-F30 PolarHBondContact O-N 3.34Å; F27-N31 WeakPolarHBondContact CE1-ND2 3.25Å; F27-N31 WeakPolarHBondContact O-CB 3.4Å; F27-N31 PolarHBondContact O-N 3.01Å; F27-F70 HydrophobicContact CE2-CD2 4.43Å; F27-F70 HydrophobicContact CE2-CE2 4.45Å |
| 28 | N | 52.1 | Low | 54.1 | Low | 66 Ų | 66 | 95.6 Ų | 95.6 | 35% | 0.353 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.7 | -40.9 | 173.9 | -73.1 | -14.4 | 0 | 0 | 0 | 111.4 | P22 N24 Q25 N31 Q32 | P22-N28 PolarHBondContact O-ND2 3.4Å; N24-N28 PolarHBondContact O-N 2.74Å; Q25-N28 PolarHBondContact O-N 3.28Å; N28-N31 PolarHBondContact O-N 3.22Å; N28-Q32 WeakPolarHBondContact O-CB 3.49Å; N28-Q32 VanDerWaalsContact O-CG 3.25Å; N28-Q32 WeakPolarHBondContact O-CG 3.41Å; N28-Q32 PolarHBondContact O-N 3.19Å |
| 29 | L | 57.1 | Low | 54.5 | Low | 113 Ų | 113 | 91.8 Ų | 91.8 | 59% | 0.592 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -68.1 | -39.5 | 178.8 | -156.4 | 127.6 | 0 | 0 | 0 | 111.4 | Q25 Q32 L33 | Q25-L29 WeakPolarHBondContact O-CB 3.45Å; Q25-L29 PolarHBondContact O-N 3.28Å; L29-Q32 PolarHBondContact O-N 3.37Å; L29-L33 WeakPolarHBondContact O-CB 3.38Å; L29-L33 PolarHBondContact O-N 3Å |
| 30 | F | 60.3 | Low | 54.9 | Low | 52 Ų | 52 | 92.4 Ų | 92.4 | 23% | 0.228 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -63.3 | -47.2 | 171.9 | -179.9 | -94.9 | 0 | 0 | 0 | 111.8 | L26 F27 Q32 L33 F34 F58 | L26-F30 VanDerWaalsContact O-CB 3.28Å; L26-F30 WeakPolarHBondContact O-CB 3.43Å; L26-F30 PolarHBondContact O-N 3.49Å; F27-F30 PolarHBondContact O-N 3.34Å; F30-Q32 VanDerWaalsContact C-N 3.32Å; F30-Q32 PolarHBondContact O-N 3.08Å; F30-L33 PolarHBondContact O-N 3.2Å; F30-F34 WeakPolarHBondContact O-CB 3.41Å; F30-F34 PolarHBondContact O-N 2.95Å; F30-F58 HydrophobicContact CE1-CZ 4.42Å; F30-F58 AromaticContact CZ-CE2 3.95Å; F30-F58 HydrophobicContact CZ-CE2 3.95Å; F30-F58 AromaticContact CZ-CZ 3.93Å; F30-F58 HydrophobicContact CZ-CZ 3.93Å |
| 31 | N | 57.3 | Low | 55.1 | Low | 61 Ų | 61 | 89.8 Ų | 89.8 | 33% | 0.326 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -61.3 | -40.2 | 177.3 | -82.5 | -7.9 | 0 | 0 | 0 | 112.1 | F27 N28 F34 L35 | F27-N31 WeakPolarHBondContact CE1-ND2 3.25Å; F27-N31 WeakPolarHBondContact O-CB 3.4Å; F27-N31 PolarHBondContact O-N 3.01Å; N28-N31 PolarHBondContact O-N 3.22Å; N31-F34 PolarHBondContact O-N 3.1Å; N31-L35 VanDerWaalsContact O-CB 3.32Å; N31-L35 WeakPolarHBondContact O-CB 3.45Å; N31-L35 VanDerWaalsContact O-CG 3.23Å; N31-L35 WeakPolarHBondContact O-CG 3.35Å; N31-L35 PolarHBondContact O-N 2.79Å |
| 32 | Q | 58.1 | Low | 55.3 | Low | 132 Ų | 132 | 89.4 Ų | 89.4 | 62% | 0.617 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -65.6 | -46.5 | 175.8 | -76.1 | 174.9 | -16.3 | 0 | 0 | 111.8 | N28 L29 F30 F34 L35 L36 | N28-Q32 WeakPolarHBondContact O-CB 3.49Å; N28-Q32 VanDerWaalsContact O-CG 3.25Å; N28-Q32 WeakPolarHBondContact O-CG 3.41Å; N28-Q32 PolarHBondContact O-N 3.19Å; L29-Q32 PolarHBondContact O-N 3.37Å; F30-Q32 VanDerWaalsContact C-N 3.32Å; F30-Q32 PolarHBondContact O-N 3.08Å; Q32-F34 VanDerWaalsContact C-N 3.29Å; Q32-F34 PolarHBondContact O-N 3.4Å; Q32-L35 PolarHBondContact O-N 3.07Å; Q32-L36 VanDerWaalsContact O-CB 3.31Å; Q32-L36 WeakPolarHBondContact O-CB 3.39Å; Q32-L36 PolarHBondContact O-N 3Å |
| 33 | L | 61.7 | Low | 55.4 | Low | 101 Ų | 101 | 93.7 Ų | 93.7 | 53% | 0.529 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.3 | -38.2 | 177.8 | -158.6 | 93.3 | 0 | 0 | 0 | 111.4 | L29 F30 L36 L37 | L29-L33 WeakPolarHBondContact O-CB 3.38Å; L29-L33 PolarHBondContact O-N 3Å; F30-L33 PolarHBondContact O-N 3.2Å; L33-L36 PolarHBondContact O-N 2.88Å; L33-L37 WeakPolarHBondContact O-CG 3.34Å; L33-L37 PolarHBondContact O-N 3.21Å |
| 34 | F | 63.3 | Low | 55.5 | Low | 39 Ų | 39 | 93.4 Ų | 93.4 | 17% | 0.171 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -69.8 | -47 | 178.8 | -179 | -96.3 | 0 | 0 | 0 | 112.3 | F30 N31 Q32 L36 L37 L38 F58 F77 | F30-F34 WeakPolarHBondContact O-CB 3.41Å; F30-F34 PolarHBondContact O-N 2.95Å; N31-F34 PolarHBondContact O-N 3.1Å; Q32-F34 VanDerWaalsContact C-N 3.29Å; Q32-F34 PolarHBondContact O-N 3.4Å; F34-L36 PolarHBondContact O-N 3.4Å; F34-L37 PolarHBondContact O-N 2.87Å; F34-L38 WeakPolarHBondContact O-CB 3.47Å; F34-L38 PolarHBondContact O-N 2.8Å; F34-F58 AromaticContact CD2-CE2 3.54Å; F34-F58 HydrophobicContact CD2-CE2 3.54Å; F34-F58 AromaticContact CD2-CZ 3.58Å; F34-F58 HydrophobicContact CD2-CZ 3.58Å; F34-F58 HydrophobicContact CE2-CE1 4.47Å; F34-F58 AromaticContact CE2-CE2 3.49Å; F34-F58 HydrophobicContact CE2-CE2 3.49Å; F34-F58 VanDerWaalsContact CE2-CE2 3.49Å; F34-F58 AromaticContact CE2-CZ 3.38Å; F34-F58 HydrophobicContact CE2-CZ 3.38Å; F34-F58 HydrophobicContact CG-CZ 4.49Å; F34-F58 HydrophobicContact CZ-CZ 4.18Å; F34-F77 HydrophobicContact CD1-CZ 4.37Å; F34-F77 AromaticContact CE1-CE1 3.61Å; F34-F77 HydrophobicContact CE1-CE1 3.61Å; F34-F77 AromaticContact CE1-CE2 3.71Å; F34-F77 HydrophobicContact CE1-CE2 3.71Å; F34-F77 AromaticContact CE1-CZ 3.1Å; F34-F77 HydrophobicContact CE1-CZ 3.1Å; F34-F77 HydrophobicContact CE2-CE1 4.18Å; F34-F77 HydrophobicContact CE2-CZ 4.41Å; F34-F77 HydrophobicContact CZ-CD1 4.36Å; F34-F77 AromaticContact CZ-CE1 3.22Å; F34-F77 HydrophobicContact CZ-CE1 3.22Å; F34-F77 HydrophobicContact CZ-CE2 4.18Å; F34-F77 AromaticContact CZ-CZ 3.14Å; F34-F77 HydrophobicContact CZ-CZ 3.14Å |
| 35 | L | 60.8 | Low | 54.8 | Low | 110 Ų | 110 | 96 Ų | 96 | 58% | 0.576 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -61.6 | -35.2 | 174.3 | -74.3 | 170.3 | 0 | 0 | 0 | 111.6 | N31 Q32 A39 | N31-L35 VanDerWaalsContact O-CB 3.32Å; N31-L35 WeakPolarHBondContact O-CB 3.45Å; N31-L35 VanDerWaalsContact O-CG 3.23Å; N31-L35 WeakPolarHBondContact O-CG 3.35Å; N31-L35 PolarHBondContact O-N 2.79Å; Q32-L35 PolarHBondContact O-N 3.07Å; L35-A39 VanDerWaalsContact O-CB 3.29Å; L35-A39 WeakPolarHBondContact O-CB 3.16Å; L35-A39 PolarHBondContact O-N 3.39Å |
| 36 | L | 60.5 | Low | 54.3 | Low | 110 Ų | 110 | 92.5 Ų | 92.5 | 58% | 0.576 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -65.4 | -46.1 | 173.8 | -175.2 | 67.9 | 0 | 0 | 0 | 111.5 | Q32 L33 F34 L38 A39 C40 | Q32-L36 VanDerWaalsContact O-CB 3.31Å; Q32-L36 WeakPolarHBondContact O-CB 3.39Å; Q32-L36 PolarHBondContact O-N 3Å; L33-L36 PolarHBondContact O-N 2.88Å; F34-L36 PolarHBondContact O-N 3.4Å; L36-L38 VanDerWaalsContact C-N 3.34Å; L36-L38 PolarHBondContact O-N 3.33Å; L36-A39 PolarHBondContact O-N 3.18Å; L36-C40 WeakPolarHBondContact O-CB 3.44Å; L36-C40 PolarHBondContact O-N 3.49Å; L36-C40 PolarHBondContact O-SG 3.46Å |
| 37 | L | 59 | Low | 53.7 | Low | 93 Ų | 93 | 94.2 Ų | 94.2 | 49% | 0.487 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.7 | -38.7 | 176.7 | -77.4 | 166.5 | 0 | 0 | 0 | 112.3 | L33 F34 C40 S41 | L33-L37 WeakPolarHBondContact O-CG 3.34Å; L33-L37 PolarHBondContact O-N 3.21Å; F34-L37 PolarHBondContact O-N 2.87Å; L37-C40 PolarHBondContact O-N 3.43Å; L37-S41 PolarHBondContact O-N 2.76Å |
| 38 | L | 59.7 | Low | 53.1 | Low | 49 Ų | 49 | 95.2 Ų | 95.2 | 26% | 0.257 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67.7 | -40.1 | 174.9 | -171 | 71 | 0 | 0 | 0 | 111.7 | F34 L36 S41 L42 | F34-L38 WeakPolarHBondContact O-CB 3.47Å; F34-L38 PolarHBondContact O-N 2.8Å; L36-L38 VanDerWaalsContact C-N 3.34Å; L36-L38 PolarHBondContact O-N 3.33Å; L38-S41 PolarHBondContact O-N 2.84Å; L38-S41 PolarHBondContact O-OG 3.02Å; L38-L42 HydrophobicContact CG-CD1 4.34Å; L38-L42 WeakPolarHBondContact O-CG 3.34Å; L38-L42 PolarHBondContact O-N 2.86Å |
| 39 | A | 55.1 | Low | 52.6 | Low | 39 Ų | 39 | 97.7 Ų | 97.7 | 32% | 0.322 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.8 | -44.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | L35 L36 S41 L42 F43 | L35-A39 VanDerWaalsContact O-CB 3.29Å; L35-A39 WeakPolarHBondContact O-CB 3.16Å; L35-A39 PolarHBondContact O-N 3.39Å; L36-A39 PolarHBondContact O-N 3.18Å; A39-S41 VanDerWaalsContact C-N 3.35Å; A39-S41 PolarHBondContact O-N 2.9Å; A39-L42 PolarHBondContact O-N 2.92Å; A39-F43 VanDerWaalsContact O-CD2 3.3Å; A39-F43 WeakPolarHBondContact O-CD2 3.38Å; A39-F43 PolarHBondContact O-N 2.72Å |
| 40 | C | 51.1 | Low | 51.7 | Low | 51 Ų | 51 | 100.3 Ų | 100.3 | 35% | 0.345 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -57.8 | -46.1 | 174.5 | -70.4 | 0 | 0 | 0 | 0 | 111.5 | L36 L37 L42 F43 F44 | L36-C40 WeakPolarHBondContact O-CB 3.44Å; L36-C40 PolarHBondContact O-N 3.49Å; L36-C40 PolarHBondContact O-SG 3.46Å; L37-C40 PolarHBondContact O-N 3.43Å; C40-L42 VanDerWaalsContact C-N 3.3Å; C40-L42 PolarHBondContact O-N 2.93Å; C40-F43 PolarHBondContact O-N 3.47Å; C40-F44 HydrophobicContact CB-CD2 4.44Å; C40-F44 WeakPolarHBondContact O-CD2 3.48Å; C40-F44 PolarHBondContact O-N 2.81Å |
| 41 | S | 51.5 | Low | 50.8 | Low | 52 Ų | 52 | 102.4 Ų | 102.4 | 36% | 0.364 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -66.2 | -30.3 | 179.5 | 68.1 | 0 | 0 | 0 | 0 | 113.5 | L37 L38 A39 | L37-S41 PolarHBondContact O-N 2.76Å; L38-S41 PolarHBondContact O-N 2.84Å; L38-S41 PolarHBondContact O-OG 3.02Å; A39-S41 VanDerWaalsContact C-N 3.35Å; A39-S41 PolarHBondContact O-N 2.9Å |
| 42 | L | 49.9 | Very low | 50.1 | Low | 127 Ų | 127 | 109.8 Ų | 109.8 | 67% | 0.665 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -76.4 | -34.8 | 175.2 | -73 | 168.3 | 0 | 0 | 0 | 113.2 | L38 A39 C40 | L38-L42 HydrophobicContact CG-CD1 4.34Å; L38-L42 WeakPolarHBondContact O-CG 3.34Å; L38-L42 PolarHBondContact O-N 2.86Å; A39-L42 PolarHBondContact O-N 2.92Å; C40-L42 VanDerWaalsContact C-N 3.3Å; C40-L42 PolarHBondContact O-N 2.93Å |
| 43 | F | 49.3 | Very low | 49.5 | Very low | 181 Ų | 181 | 108.3 Ų | 108.3 | 79% | 0.794 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -77.3 | -29.9 | 177.2 | -87.7 | -82.5 | 0 | 0 | 0 | 112.8 | A39 C40 K45 | A39-F43 VanDerWaalsContact O-CD2 3.3Å; A39-F43 WeakPolarHBondContact O-CD2 3.38Å; A39-F43 PolarHBondContact O-N 2.72Å; C40-F43 PolarHBondContact O-N 3.47Å; F43-K45 PolarHBondContact O-N 2.97Å |
| 44 | F | 48.5 | Very low | 49 | Very low | 132 Ų | 132 | 105.8 Ų | 105.8 | 58% | 0.579 | 55% | 0.552 | S | S | * | * | trans | -82.7 | 59.8 | 173.3 | -72.7 | -70.7 | 0 | 0 | 0 | 111.8 | C40 L51 | C40-F44 HydrophobicContact CB-CD2 4.44Å; C40-F44 WeakPolarHBondContact O-CD2 3.48Å; C40-F44 PolarHBondContact O-N 2.81Å; F44-L51 HydrophobicContact CB-CD1 4.12Å | ||
| 45 | K | 39.1 | Very low | 48.2 | Very low | 130 Ų | 130 | 111.1 Ų | 111.1 | 57% | 0.565 | 58% | 0.581 | S | S | * | * | trans | -96.2 | 74.7 | 163.4 | -165.6 | -178.3 | -178 | -174.3 | 0 | 107.7 | F43 E95 | F43-K45 PolarHBondContact O-N 2.97Å; K45-E95 IonicContact NZ-OE1 3.94Å; K45-E95 IonicContact NZ-OE2 3.86Å | ||
| 46 | S | 40.6 | Very low | 47.4 | Very low | 88 Ų | 88 | 113.3 Ų | 113.3 | 62% | 0.615 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -163.5 | 86.8 | 173.3 | -153.2 | 0 | 0 | 0 | 0 | 112.3 | S48 | S46-S48 VanDerWaalsContact C-N 3.32Å; S46-S48 PolarHBondContact O-N 3.36Å; S46-S48 PolarHBondContact O-OG 2.88Å; S46-S48 VanDerWaalsContact O-OG 3.1Å |
| 47 | D | 40.2 | Very low | 46.8 | Very low | 171 Ų | 171 | 112 Ų | 112 | 91% | 0.914 | 57% | 0.574 | S | S | * | * | S | Bend | trans | 47.3 | 10.7 | 148.4 | -63.4 | -23.4 | 0 | 0 | 0 | 122.9 | ||
| 48 | S | 40.3 | Very low | 46.3 | Very low | 103 Ų | 103 | 109.5 Ų | 109.5 | 72% | 0.72 | 56% | 0.56 | S | S | * | * | trans | -153.9 | 7.9 | -170.5 | 49.6 | 0 | 0 | 0 | 0 | 119.9 | S46 | S46-S48 VanDerWaalsContact C-N 3.32Å; S46-S48 PolarHBondContact O-N 3.36Å; S46-S48 PolarHBondContact O-OG 2.88Å; S46-S48 VanDerWaalsContact O-OG 3.1Å | ||
| 49 | I | 41 | Very low | 45.7 | Very low | 117 Ų | 117 | 110.8 Ų | 110.8 | 60% | 0.6 | 57% | 0.571 | S | S | * | * | trans | -134.5 | 114.3 | 177 | -61.6 | 175.7 | 0 | 0 | 0 | 110.4 | L51 | I49-L51 HydrophobicContact CG2-CD1 4.4Å; I49-L51 PolarHBondContact O-N 2.91Å | ||
| 50 | E | 37.9 | Very low | 45.3 | Very low | 169 Ų | 169 | 113.8 Ų | 113.8 | 79% | 0.79 | 58% | 0.581 | S | S | * | * | trans | -56.1 | 86.4 | 161.7 | -65.8 | -175.7 | 158.6 | 0 | 0 | 109.3 | R52 | E50-R52 PolarHBondContact O-N 3.28Š| ||
| 51 | L | 41.7 | Very low | 45.1 | Very low | 95 Ų | 95 | 115.1 Ų | 115.1 | 50% | 0.497 | 58% | 0.581 | S | S | . | * | trans | -74.3 | 58.8 | 169.1 | -111.3 | 127.9 | 0 | 0 | 0 | 109.2 | F44 I49 T53 | F44-L51 HydrophobicContact CB-CD1 4.12Å; I49-L51 HydrophobicContact CG2-CD1 4.4Å; I49-L51 PolarHBondContact O-N 2.91Å; L51-T53 PolarHBondContact O-N 3.38Å | ||
| 52 | R | 43 | Very low | 44.8 | Very low | 216 Ų | 216 | 114.6 Ų | 114.6 | 82% | 0.815 | 57% | 0.574 | S | S | * | * | trans | -85.9 | 16.2 | 174.4 | -94.2 | -171.7 | 176.6 | -152.7 | 1.2 | 113.1 | E50 | E50-R52 PolarHBondContact O-N 3.28Š| ||
| 53 | T | 46.4 | Very low | 44.7 | Very low | 102 Ų | 102 | 116.6 Ų | 116.6 | 63% | 0.626 | 58% | 0.578 | S | S | * | * | trans | -136.9 | 126.1 | -173.1 | 18.2 | 0 | 0 | 0 | 0 | 111.5 | L51 | L51-T53 PolarHBondContact O-N 3.38Š| ||
| 54 | P | 49.4 | Very low | 44.6 | Very low | 47 Ų | 47 | 114 Ų | 114 | 31% | 0.305 | 57% | 0.572 | S | S | . | * | S | Bend | cis | -134.6 | 79.4 | -7.4 | 37.8 | -16.3 | 0 | 0 | 0 | 111.9 | W56 I57 | P54-W56 VanDerWaalsContact CA-CD1 3.5Å; P54-W56 HydrophobicContact CB-CG 4.43Å; P54-W56 VanDerWaalsContact CB-NE1 3.3Å; P54-W56 PolarHBondContact O-N 3.42Å; P54-I57 HydrophobicContact CB-CB 4.32Å; P54-I57 HydrophobicContact CB-CD1 3.86Å; P54-I57 HydrophobicContact CB-CG1 4.02Å; P54-I57 HydrophobicContact CG-CB 4.43Å; P54-I57 HydrophobicContact CG-CD1 3.82Å; P54-I57 HydrophobicContact CG-CG1 4.35Å; P54-I57 PolarHBondContact O-N 3.47Å; P54-I57 VanDerWaalsContact O-N 3.09Å |
| 55 | L | 46.5 | Very low | 44.6 | Very low | 151 Ų | 151 | 110.6 Ų | 110.6 | 79% | 0.791 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.3 | -16.6 | 168.2 | -90.9 | 156.3 | 0 | 0 | 0 | 112.5 | F58 P59 | L55-F58 WeakPolarHBondContact O-CB 3.3Å; L55-P59 WeakPolarHBondContact O-CD 3.49Å |
| 56 | W | 44.5 | Very low | 45 | Very low | 156 Ų | 156 | 112.4 Ų | 112.4 | 59% | 0.591 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.1 | -18.1 | 176.1 | 66.7 | -85.2 | 0 | 0 | 0 | 114.8 | P54 F58 P59 | P54-W56 VanDerWaalsContact CA-CD1 3.5Å; P54-W56 HydrophobicContact CB-CG 4.43Å; P54-W56 VanDerWaalsContact CB-NE1 3.3Å; P54-W56 PolarHBondContact O-N 3.42Å; W56-F58 VanDerWaalsContact C-N 3.28Å; W56-P59 WeakPolarHBondContact O-CD 3.26Å |
| 57 | I | 48.8 | Very low | 45.6 | Very low | 82 Ų | 82 | 114.8 Ų | 114.8 | 42% | 0.421 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -72.1 | -26.9 | 173 | -79.1 | 175.7 | 0 | 0 | 0 | 111 | P54 L60 F61 | P54-I57 HydrophobicContact CB-CB 4.32Å; P54-I57 HydrophobicContact CB-CD1 3.86Å; P54-I57 HydrophobicContact CB-CG1 4.02Å; P54-I57 HydrophobicContact CG-CB 4.43Å; P54-I57 HydrophobicContact CG-CD1 3.82Å; P54-I57 HydrophobicContact CG-CG1 4.35Å; P54-I57 PolarHBondContact O-N 3.47Å; P54-I57 VanDerWaalsContact O-N 3.09Å; I57-L60 PolarHBondContact O-N 2.78Å; I57-F61 WeakPolarHBondContact O-CB 3.3Å; I57-F61 PolarHBondContact O-N 2.82Å |
| 58 | F | 47.9 | Very low | 46.1 | Very low | 41 Ų | 41 | 111.7 Ų | 111.7 | 18% | 0.18 | 56% | 0.555 | C | S | . | * | H | α-helix | trans | -62.2 | -51.3 | -179 | -113.5 | -110.3 | 0 | 0 | 0 | 113 | F30 F34 L55 W56 L60 F61 L62 L74 | F30-F58 HydrophobicContact CE1-CZ 4.42Å; F30-F58 AromaticContact CZ-CE2 3.95Å; F30-F58 HydrophobicContact CZ-CE2 3.95Å; F30-F58 AromaticContact CZ-CZ 3.93Å; F30-F58 HydrophobicContact CZ-CZ 3.93Å; F34-F58 AromaticContact CD2-CE2 3.54Å; F34-F58 HydrophobicContact CD2-CE2 3.54Å; F34-F58 AromaticContact CD2-CZ 3.58Å; F34-F58 HydrophobicContact CD2-CZ 3.58Å; F34-F58 HydrophobicContact CE2-CE1 4.47Å; F34-F58 AromaticContact CE2-CE2 3.49Å; F34-F58 HydrophobicContact CE2-CE2 3.49Å; F34-F58 VanDerWaalsContact CE2-CE2 3.49Å; F34-F58 AromaticContact CE2-CZ 3.38Å; F34-F58 HydrophobicContact CE2-CZ 3.38Å; F34-F58 HydrophobicContact CG-CZ 4.49Å; F34-F58 HydrophobicContact CZ-CZ 4.18Å; L55-F58 WeakPolarHBondContact O-CB 3.3Å; W56-F58 VanDerWaalsContact C-N 3.28Å; F58-L60 VanDerWaalsContact C-N 3.28Å; F58-L60 PolarHBondContact O-N 3.47Å; F58-F61 PolarHBondContact O-N 3.42Å; F58-L62 WeakPolarHBondContact O-CB 3.37Å; F58-L62 WeakPolarHBondContact O-CD1 3.28Å; F58-L62 VanDerWaalsContact O-CG 3.26Å; F58-L62 WeakPolarHBondContact O-CG 3.28Å; F58-L62 PolarHBondContact O-N 3.36Å; F58-L74 HydrophobicContact CD1-CD2 3.36Å; F58-L74 HydrophobicContact CE1-CD2 3.32Å; F58-L74 HydrophobicContact CE1-CG 4.24Å |
| 59 | P | 46.8 | Very low | 46.7 | Very low | 77 Ų | 77 | 109.4 Ų | 109.4 | 50% | 0.5 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -60.4 | -35.4 | 172.4 | -23.6 | 32.3 | 0 | 0 | 0 | 113.3 | L55 W56 L62 K63 | L55-P59 WeakPolarHBondContact O-CD 3.49Å; W56-P59 WeakPolarHBondContact O-CD 3.26Å; P59-L62 PolarHBondContact O-N 2.84Å; P59-K63 WeakPolarHBondContact O-CB 3.21Å; P59-K63 PolarHBondContact O-N 3.41Å |
| 60 | L | 46.4 | Very low | 47.1 | Very low | 101 Ų | 101 | 105.4 Ų | 105.4 | 53% | 0.529 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -68.7 | -40.6 | -180 | -136 | 104 | 0 | 0 | 0 | 111.5 | I57 F58 K63 N64 | I57-L60 PolarHBondContact O-N 2.78Å; F58-L60 VanDerWaalsContact C-N 3.28Å; F58-L60 PolarHBondContact O-N 3.47Å; L60-K63 PolarHBondContact O-N 2.76Å; L60-N64 PolarHBondContact O-N 2.78Å |
| 61 | F | 47 | Very low | 47.7 | Very low | 79 Ų | 79 | 100.7 Ų | 100.7 | 35% | 0.346 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -71.3 | -35.9 | 176.4 | -159.1 | -91.3 | 0 | 0 | 0 | 112 | I57 F58 N64 N65 F70 | I57-F61 WeakPolarHBondContact O-CB 3.3Å; I57-F61 PolarHBondContact O-N 2.82Å; F58-F61 PolarHBondContact O-N 3.42Å; F61-N64 PolarHBondContact O-N 3.1Å; F61-N65 VanDerWaalsContact CE1-ND2 3.33Å; F61-N65 WeakPolarHBondContact CE1-ND2 3.31Å; F61-N65 WeakPolarHBondContact O-CB 3.19Å; F61-N65 PolarHBondContact O-N 2.8Å; F61-N65 VanDerWaalsContact O-N 3.08Å; F61-N65 PolarHBondContact O-ND2 3.32Å; F61-F70 AromaticContact CD1-CE1 3.98Å; F61-F70 HydrophobicContact CD1-CE1 3.98Å; F61-F70 AromaticContact CD1-CZ 3.95Å; F61-F70 HydrophobicContact CD1-CZ 3.95Å; F61-F70 HydrophobicContact CE1-CE1 4.35Å; F61-F70 HydrophobicContact CE1-CZ 4.08Å |
| 62 | L | 46.3 | Very low | 48.3 | Very low | 42 Ų | 42 | 99.8 Ų | 99.8 | 22% | 0.22 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -62.7 | -42.4 | 171.6 | -80.5 | 167.2 | 0 | 0 | 0 | 112.5 | F58 P59 N64 N65 F70 I71 L74 | F58-L62 WeakPolarHBondContact O-CB 3.37Å; F58-L62 WeakPolarHBondContact O-CD1 3.28Å; F58-L62 VanDerWaalsContact O-CG 3.26Å; F58-L62 WeakPolarHBondContact O-CG 3.28Å; F58-L62 PolarHBondContact O-N 3.36Å; P59-L62 PolarHBondContact O-N 2.84Å; L62-N64 VanDerWaalsContact C-N 3.26Å; L62-N64 PolarHBondContact O-N 3.49Å; L62-N65 CarbonylContact O-C 3.52Å; L62-N65 PolarHBondContact O-N 3.38Å; L62-F70 HydrophobicContact CD2-CD1 3.98Å; L62-F70 HydrophobicContact CD2-CE1 3.93Å; L62-I71 HydrophobicContact CD2-CG1 4.29Å; L62-L74 HydrophobicContact CD1-CD2 3.76Å; L62-L74 HydrophobicContact CD2-CB 4.21Å; L62-L74 HydrophobicContact CD2-CD1 3.55Å; L62-L74 HydrophobicContact CD2-CD2 3.86Å; L62-L74 HydrophobicContact CD2-CG 4.07Å; L62-L74 HydrophobicContact CG-CD1 4.34Å; L62-L74 HydrophobicContact CG-CD2 4Å |
| 63 | K | 47 | Very low | 48.6 | Very low | 169 Ų | 169 | 93.1 Ų | 93.1 | 74% | 0.735 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -65.8 | -30.6 | 178.9 | -164.8 | 177.3 | -178.3 | -177.5 | 0 | 112.2 | P59 L60 | P59-K63 WeakPolarHBondContact O-CB 3.21Å; P59-K63 PolarHBondContact O-N 3.41Å; L60-K63 PolarHBondContact O-N 2.76Å |
| 64 | N | 47.3 | Very low | 48.8 | Very low | 125 Ų | 125 | 88.8 Ų | 88.8 | 67% | 0.668 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -91.9 | -11.2 | 179.6 | -72.5 | -15.4 | 0 | 0 | 0 | 114.2 | L60 F61 L62 | L60-N64 PolarHBondContact O-N 2.78Å; F61-N64 PolarHBondContact O-N 3.1Å; L62-N64 VanDerWaalsContact C-N 3.26Å; L62-N64 PolarHBondContact O-N 3.49Å |
| 65 | N | 48.2 | Very low | 49 | Very low | 62 Ų | 62 | 94.8 Ų | 94.8 | 33% | 0.332 | 47% | 0.474 | S | S | . | . | trans | -124 | 75.5 | 177.4 | -76.5 | -77.8 | 0 | 0 | 0 | 109.8 | F61 L62 R67 F70 | F61-N65 VanDerWaalsContact CE1-ND2 3.33Å; F61-N65 WeakPolarHBondContact CE1-ND2 3.31Å; F61-N65 WeakPolarHBondContact O-CB 3.19Å; F61-N65 PolarHBondContact O-N 2.8Å; F61-N65 VanDerWaalsContact O-N 3.08Å; F61-N65 PolarHBondContact O-ND2 3.32Å; L62-N65 CarbonylContact O-C 3.52Å; L62-N65 PolarHBondContact O-N 3.38Å; N65-R67 PolarHBondContact O-N 3.37Å; N65-F70 HydrophobicContact CB-CD1 4.45Å | ||
| 66 | E | 46.9 | Very low | 49.6 | Very low | 167 Ų | 167 | 89.3 Ų | 89.3 | 78% | 0.78 | 45% | 0.454 | S | S | * | . | trans | -67.6 | 32.8 | 178 | -64.5 | -172.1 | 150.1 | 0 | 0 | 114.1 | P68 | E66-P68 VanDerWaalsContact O-CD 3.25Å; E66-P68 WeakPolarHBondContact O-CD 3.33Å | ||
| 67 | R | 53.2 | Low | 50.1 | Low | 139 Ų | 139 | 84.4 Ų | 84.4 | 53% | 0.525 | 44% | 0.437 | S | S | . | . | trans | -79 | 116.5 | 174.1 | -71.6 | -171 | 178.6 | -172.5 | -0.7 | 108.9 | N65 S69 F70 I71 | N65-R67 PolarHBondContact O-N 3.37Å; R67-S69 PolarHBondContact O-N 2.87Å; R67-S69 VanDerWaalsContact O-N 3.1Å; R67-F70 HydrophobicContact CB-CB 4.17Å; R67-F70 WeakPolarHBondContact O-CB 3.47Å; R67-F70 PolarHBondContact O-N 3.47Å; R67-I71 PolarHBondContact O-N 2.89Å | ||
| 68 | P | 51.9 | Low | 50.4 | Low | 105 Ų | 105 | 85.1 Ų | 85.1 | 68% | 0.682 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -58.3 | -31 | -176.8 | -24 | 33.8 | 0 | 0 | 0 | 113.2 | E66 I71 S72 | E66-P68 VanDerWaalsContact O-CD 3.25Å; E66-P68 WeakPolarHBondContact O-CD 3.33Å; P68-I71 PolarHBondContact O-N 3.5Å; P68-S72 PolarHBondContact O-N 2.83Å |
| 69 | S | 52.7 | Low | 50.8 | Low | 55 Ų | 55 | 89.9 Ų | 89.9 | 39% | 0.385 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -64.8 | -41.3 | 175.7 | 58.4 | 0 | 0 | 0 | 0 | 112.1 | R67 S72 S73 | R67-S69 PolarHBondContact O-N 2.87Å; R67-S69 VanDerWaalsContact O-N 3.1Å; S69-S72 PolarHBondContact O-N 2.95Å; S69-S72 PolarHBondContact O-OG 2.98Å; S69-S73 PolarHBondContact O-N 3.23Å; S69-S73 PolarHBondContact O-OG 3.41Å |
| 70 | F | 50.2 | Low | 51.2 | Low | 33 Ų | 33 | 92 Ų | 92 | 15% | 0.145 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -66.6 | -43.2 | 178.4 | -174.2 | -113.6 | 0 | 0 | 0 | 110.9 | F27 F61 L62 N65 R67 S72 S73 L74 | F27-F70 HydrophobicContact CE2-CD2 4.43Å; F27-F70 HydrophobicContact CE2-CE2 4.45Å; F61-F70 AromaticContact CD1-CE1 3.98Å; F61-F70 HydrophobicContact CD1-CE1 3.98Å; F61-F70 AromaticContact CD1-CZ 3.95Å; F61-F70 HydrophobicContact CD1-CZ 3.95Å; F61-F70 HydrophobicContact CE1-CE1 4.35Å; F61-F70 HydrophobicContact CE1-CZ 4.08Å; L62-F70 HydrophobicContact CD2-CD1 3.98Å; L62-F70 HydrophobicContact CD2-CE1 3.93Å; N65-F70 HydrophobicContact CB-CD1 4.45Å; R67-F70 HydrophobicContact CB-CB 4.17Å; R67-F70 WeakPolarHBondContact O-CB 3.47Å; R67-F70 PolarHBondContact O-N 3.47Å; F70-S72 VanDerWaalsContact C-N 3.3Å; F70-S72 PolarHBondContact O-N 2.91Å; F70-S73 PolarHBondContact O-N 3.09Å; F70-L74 HydrophobicContact CD1-CD1 3.46Å; F70-L74 VanDerWaalsContact CD1-CD1 3.46Å; F70-L74 HydrophobicContact CD2-CD1 3.85Å; F70-L74 HydrophobicContact CE1-CD1 3.15Å; F70-L74 HydrophobicContact CE2-CD1 3.57Å; F70-L74 HydrophobicContact CG-CD1 3.8Å; F70-L74 HydrophobicContact CZ-CD1 3.22Å; F70-L74 WeakPolarHBondContact O-CB 3.33Å; F70-L74 WeakPolarHBondContact O-CD1 3.28Å; F70-L74 PolarHBondContact O-N 2.62Å |
| 71 | I | 50.7 | Low | 51.6 | Low | 71 Ų | 71 | 89.1 Ų | 89.1 | 36% | 0.364 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -61 | -39.3 | 174.5 | -60.9 | 173.4 | 0 | 0 | 0 | 111.1 | L62 R67 P68 L74 R75 | L62-I71 HydrophobicContact CD2-CG1 4.29Å; R67-I71 PolarHBondContact O-N 2.89Å; P68-I71 PolarHBondContact O-N 3.5Å; I71-L74 PolarHBondContact O-N 3.38Å; I71-R75 WeakPolarHBondContact O-CB 3.16Å; I71-R75 PolarHBondContact O-N 3.3Å |
| 72 | S | 52.6 | Low | 51.9 | Low | 75 Ų | 75 | 91.2 Ų | 91.2 | 52% | 0.524 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -67.1 | -43.9 | 177.9 | 77.7 | 0 | 0 | 0 | 0 | 112.8 | P68 S69 F70 L74 R75 G76 | P68-S72 PolarHBondContact O-N 2.83Å; S69-S72 PolarHBondContact O-N 2.95Å; S69-S72 PolarHBondContact O-OG 2.98Å; F70-S72 VanDerWaalsContact C-N 3.3Å; F70-S72 PolarHBondContact O-N 2.91Å; S72-L74 VanDerWaalsContact C-N 3.33Å; S72-R75 PolarHBondContact O-N 2.84Å; S72-G76 PolarHBondContact O-N 2.78Å |
| 73 | S | 50 | Low | 52.4 | Low | 76 Ų | 76 | 95.4 Ų | 95.4 | 53% | 0.531 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.5 | -40.1 | 175.3 | -61.4 | 0 | 0 | 0 | 0 | 111.1 | S69 F70 G76 F77 | S69-S73 PolarHBondContact O-N 3.23Å; S69-S73 PolarHBondContact O-OG 3.41Å; F70-S73 PolarHBondContact O-N 3.09Å; S73-G76 PolarHBondContact O-N 3.46Å; S73-F77 WeakPolarHBondContact O-CB 3.28Å; S73-F77 PolarHBondContact O-N 3.22Å |
| 74 | L | 51.4 | Low | 52.5 | Low | 12 Ų | 12 | 91.7 Ų | 91.7 | 6% | 0.063 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -67 | -35.9 | 174.7 | -103.6 | 120 | 0 | 0 | 0 | 113.5 | F58 L62 F70 I71 S72 G76 F77 L78 | F58-L74 HydrophobicContact CD1-CD2 3.36Å; F58-L74 HydrophobicContact CE1-CD2 3.32Å; F58-L74 HydrophobicContact CE1-CG 4.24Å; L62-L74 HydrophobicContact CD1-CD2 3.76Å; L62-L74 HydrophobicContact CD2-CB 4.21Å; L62-L74 HydrophobicContact CD2-CD1 3.55Å; L62-L74 HydrophobicContact CD2-CD2 3.86Å; L62-L74 HydrophobicContact CD2-CG 4.07Å; L62-L74 HydrophobicContact CG-CD1 4.34Å; L62-L74 HydrophobicContact CG-CD2 4Å; F70-L74 HydrophobicContact CD1-CD1 3.46Å; F70-L74 VanDerWaalsContact CD1-CD1 3.46Å; F70-L74 HydrophobicContact CD2-CD1 3.85Å; F70-L74 HydrophobicContact CE1-CD1 3.15Å; F70-L74 HydrophobicContact CE2-CD1 3.57Å; F70-L74 HydrophobicContact CG-CD1 3.8Å; F70-L74 HydrophobicContact CZ-CD1 3.22Å; F70-L74 WeakPolarHBondContact O-CB 3.33Å; F70-L74 WeakPolarHBondContact O-CD1 3.28Å; F70-L74 PolarHBondContact O-N 2.62Å; I71-L74 PolarHBondContact O-N 3.38Å; S72-L74 VanDerWaalsContact C-N 3.33Å; L74-G76 VanDerWaalsContact C-N 3.33Å; L74-F77 PolarHBondContact O-N 3.4Å; L74-L78 WeakPolarHBondContact O-CB 3.33Å; L74-L78 VanDerWaalsContact O-CG 3.3Å; L74-L78 WeakPolarHBondContact O-CG 3.21Å; L74-L78 PolarHBondContact O-N 3.21Å |
| 75 | R | 52.9 | Low | 52.8 | Low | 173 Ų | 173 | 91.8 Ų | 91.8 | 65% | 0.653 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -68.2 | -36.6 | 174.6 | -170.1 | -179 | -77.9 | 179.4 | -5.2 | 111 | I71 S72 K79 | I71-R75 WeakPolarHBondContact O-CB 3.16Å; I71-R75 PolarHBondContact O-N 3.3Å; S72-R75 PolarHBondContact O-N 2.84Å; R75-K79 WeakPolarHBondContact O-CG 3.37Å; R75-K79 PolarHBondContact O-N 2.81Å |
| 76 | G | 58.7 | Low | 53.1 | Low | 35 Ų | 35 | 92.9 Ų | 92.9 | 36% | 0.361 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -62.3 | -46.1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | S72 S73 L74 K79 E80 | S72-G76 PolarHBondContact O-N 2.78Å; S73-G76 PolarHBondContact O-N 3.46Å; L74-G76 VanDerWaalsContact C-N 3.33Å; G76-K79 WeakPolarHBondContact O-CB 3.25Å; G76-K79 PolarHBondContact O-N 3.44Å; G76-E80 PolarHBondContact O-N 2.78Å |
| 77 | F | 54.8 | Low | 53.2 | Low | 53 Ų | 53 | 88.6 Ų | 88.6 | 23% | 0.232 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -65.1 | -40.4 | 178.2 | -175.7 | -100.2 | 0 | 0 | 0 | 113 | F34 S73 L74 K79 E80 V81 | F34-F77 HydrophobicContact CD1-CZ 4.37Å; F34-F77 AromaticContact CE1-CE1 3.61Å; F34-F77 HydrophobicContact CE1-CE1 3.61Å; F34-F77 AromaticContact CE1-CE2 3.71Å; F34-F77 HydrophobicContact CE1-CE2 3.71Å; F34-F77 AromaticContact CE1-CZ 3.1Å; F34-F77 HydrophobicContact CE1-CZ 3.1Å; F34-F77 HydrophobicContact CE2-CE1 4.18Å; F34-F77 HydrophobicContact CE2-CZ 4.41Å; F34-F77 HydrophobicContact CZ-CD1 4.36Å; F34-F77 AromaticContact CZ-CE1 3.22Å; F34-F77 HydrophobicContact CZ-CE1 3.22Å; F34-F77 HydrophobicContact CZ-CE2 4.18Å; F34-F77 AromaticContact CZ-CZ 3.14Å; F34-F77 HydrophobicContact CZ-CZ 3.14Å; S73-F77 WeakPolarHBondContact O-CB 3.28Å; S73-F77 PolarHBondContact O-N 3.22Å; L74-F77 PolarHBondContact O-N 3.4Å; F77-K79 VanDerWaalsContact C-N 3.29Å; F77-K79 PolarHBondContact O-N 2.79Å; F77-E80 CarbonylContact O-C 3.55Å; F77-E80 WeakPolarHBondContact O-CA 3.25Å; F77-E80 WeakPolarHBondContact O-CB 3.23Å; F77-E80 PolarHBondContact O-N 3.36Å; F77-E80 VanDerWaalsContact O-N 3.07Å; F77-V81 HydrophobicContact CD1-CG2 3.94Å; F77-V81 HydrophobicContact CE1-CG2 3.27Å; F77-V81 HydrophobicContact CE2-CG2 4.16Å; F77-V81 HydrophobicContact CZ-CG2 3.36Å; F77-V81 WeakPolarHBondContact O-CG2 3.32Å; F77-V81 PolarHBondContact O-N 2.81Å |
| 78 | L | 55.2 | Low | 53 | Low | 97 Ų | 97 | 85.5 Ų | 85.5 | 51% | 0.508 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -62.5 | -36.5 | 174.2 | -77.4 | 171.5 | 0 | 0 | 0 | 111.7 | L74 V81 E82 | L74-L78 WeakPolarHBondContact O-CB 3.33Å; L74-L78 VanDerWaalsContact O-CG 3.3Å; L74-L78 WeakPolarHBondContact O-CG 3.21Å; L74-L78 PolarHBondContact O-N 3.21Å; L78-V81 PolarHBondContact O-N 2.83Å; L78-E82 VanDerWaalsContact O-CB 3.3Å; L78-E82 WeakPolarHBondContact O-CB 3.49Å; L78-E82 PolarHBondContact O-N 3.43Å |
| 79 | K | 56.4 | Low | 53.2 | Low | 142 Ų | 142 | 84 Ų | 84 | 62% | 0.617 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -66.4 | -36.8 | 171.4 | -74.2 | -177.8 | 174.2 | -169 | 0 | 112.3 | R75 G76 F77 F83 | R75-K79 WeakPolarHBondContact O-CG 3.37Å; R75-K79 PolarHBondContact O-N 2.81Å; G76-K79 WeakPolarHBondContact O-CB 3.25Å; G76-K79 PolarHBondContact O-N 3.44Å; F77-K79 VanDerWaalsContact C-N 3.29Å; F77-K79 PolarHBondContact O-N 2.79Å; K79-F83 VanDerWaalsContact O-CB 3.25Å; K79-F83 WeakPolarHBondContact O-CB 3.45Å; K79-F83 PolarHBondContact O-N 3.45Å |
| 80 | E | 54.7 | Low | 52.9 | Low | 121 Ų | 121 | 84.1 Ų | 84.1 | 57% | 0.565 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -69.1 | -38.6 | 174.6 | -76 | 176.6 | -179.9 | 0 | 0 | 112 | G76 F77 F83 L84 | G76-E80 PolarHBondContact O-N 2.78Å; F77-E80 CarbonylContact O-C 3.55Å; F77-E80 WeakPolarHBondContact O-CA 3.25Å; F77-E80 WeakPolarHBondContact O-CB 3.23Å; F77-E80 PolarHBondContact O-N 3.36Å; F77-E80 VanDerWaalsContact O-N 3.07Å; E80-F83 CarbonylContact O-C 3.59Å; E80-F83 WeakPolarHBondContact O-CB 3.21Å; E80-F83 PolarHBondContact O-N 2.74Å; E80-L84 WeakPolarHBondContact O-CB 3.1Å; E80-L84 VanDerWaalsContact O-CG 3.31Å; E80-L84 WeakPolarHBondContact O-CG 3.44Å; E80-L84 PolarHBondContact O-N 3.03Å |
| 81 | V | 55 | Low | 52.7 | Low | 40 Ų | 40 | 86.6 Ų | 86.6 | 24% | 0.242 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -65.9 | -45 | 173.5 | 173.7 | 0 | 0 | 0 | 0 | 110.8 | F77 L78 F83 L84 E85 | F77-V81 HydrophobicContact CD1-CG2 3.94Å; F77-V81 HydrophobicContact CE1-CG2 3.27Å; F77-V81 HydrophobicContact CE2-CG2 4.16Å; F77-V81 HydrophobicContact CZ-CG2 3.36Å; F77-V81 WeakPolarHBondContact O-CG2 3.32Å; F77-V81 PolarHBondContact O-N 2.81Å; L78-V81 PolarHBondContact O-N 2.83Å; V81-F83 PolarHBondContact O-N 2.73Å; V81-L84 CarbonylContact O-C 3.55Å; V81-L84 PolarHBondContact O-N 3.35Å; V81-L84 VanDerWaalsContact O-N 3.1Å; V81-E85 PolarHBondContact O-N 3.29Å |
| 82 | E | 54.1 | Low | 52.7 | Low | 124 Ų | 124 | 90.1 Ų | 90.1 | 58% | 0.579 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -61.2 | -37.3 | 174.6 | -172.8 | 177 | -163.8 | 0 | 0 | 111 | L78 E85 T86 | L78-E82 VanDerWaalsContact O-CB 3.3Å; L78-E82 WeakPolarHBondContact O-CB 3.49Å; L78-E82 PolarHBondContact O-N 3.43Å; E82-E85 PolarHBondContact O-N 3.48Å; E82-T86 VanDerWaalsContact O-CB 3.28Å; E82-T86 WeakPolarHBondContact O-CB 3.43Å; E82-T86 PolarHBondContact O-N 2.88Å; E82-T86 PolarHBondContact O-OG1 3.49Å |
| 83 | F | 56 | Low | 52.8 | Low | 130 Ų | 130 | 90.5 Ų | 90.5 | 57% | 0.57 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -65.2 | -42.8 | 171.9 | 179.9 | -99.8 | 0 | 0 | 0 | 112 | K79 E80 V81 T86 L87 | K79-F83 VanDerWaalsContact O-CB 3.25Å; K79-F83 WeakPolarHBondContact O-CB 3.45Å; K79-F83 PolarHBondContact O-N 3.45Å; E80-F83 CarbonylContact O-C 3.59Å; E80-F83 WeakPolarHBondContact O-CB 3.21Å; E80-F83 PolarHBondContact O-N 2.74Å; V81-F83 PolarHBondContact O-N 2.73Å; F83-T86 PolarHBondContact O-N 3.2Å; F83-L87 HydrophobicContact CE1-CD1 3.89Å; F83-L87 HydrophobicContact CZ-CD1 3.97Å; F83-L87 WeakPolarHBondContact O-CB 3.29Å; F83-L87 PolarHBondContact O-N 2.95Å |
| 84 | L | 49.5 | Very low | 52.5 | Low | 91 Ų | 91 | 93.9 Ų | 93.9 | 48% | 0.476 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -67 | -37.3 | 175.9 | -74.2 | 172.4 | 0 | 0 | 0 | 112.2 | E80 V81 L87 N88 | E80-L84 WeakPolarHBondContact O-CB 3.1Å; E80-L84 VanDerWaalsContact O-CG 3.31Å; E80-L84 WeakPolarHBondContact O-CG 3.44Å; E80-L84 PolarHBondContact O-N 3.03Å; V81-L84 CarbonylContact O-C 3.55Å; V81-L84 PolarHBondContact O-N 3.35Å; V81-L84 VanDerWaalsContact O-N 3.1Å; L84-L87 PolarHBondContact O-N 3.48Å; L84-N88 WeakPolarHBondContact O-CB 3.41Å; L84-N88 PolarHBondContact O-N 2.86Å |
| 85 | E | 53.9 | Low | 52.2 | Low | 126 Ų | 126 | 98.3 Ų | 98.3 | 59% | 0.589 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -66.6 | -42.8 | 172.5 | -78 | -171.5 | 165.3 | 0 | 0 | 111.1 | V81 E82 L87 N88 S89 | V81-E85 PolarHBondContact O-N 3.29Å; E82-E85 PolarHBondContact O-N 3.48Å; E85-L87 VanDerWaalsContact C-N 3.31Å; E85-L87 PolarHBondContact O-N 3.43Å; E85-N88 PolarHBondContact O-N 3.05Å; E85-S89 VanDerWaalsContact O-CB 3.25Å; E85-S89 WeakPolarHBondContact O-CB 3.36Å; E85-S89 PolarHBondContact O-N 2.75Å |
| 86 | T | 54.5 | Low | 52 | Low | 86 Ų | 86 | 94.9 Ų | 94.9 | 53% | 0.528 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.9 | -41.9 | 174 | -58.7 | 0 | 0 | 0 | 0 | 110.7 | E82 F83 S89 A90 | E82-T86 VanDerWaalsContact O-CB 3.28Å; E82-T86 WeakPolarHBondContact O-CB 3.43Å; E82-T86 PolarHBondContact O-N 2.88Å; E82-T86 PolarHBondContact O-OG1 3.49Å; F83-T86 PolarHBondContact O-N 3.2Å; T86-S89 PolarHBondContact O-N 2.97Å; T86-A90 VanDerWaalsContact O-CB 3.28Å; T86-A90 WeakPolarHBondContact O-CB 3.29Å; T86-A90 PolarHBondContact O-N 3.38Å |
| 87 | L | 48.3 | Very low | 51.5 | Low | 77 Ų | 77 | 96.7 Ų | 96.7 | 40% | 0.403 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -70.1 | -38.3 | 178.5 | -168.6 | 134.3 | 0 | 0 | 0 | 111.7 | F83 L84 E85 A90 L91 | F83-L87 HydrophobicContact CE1-CD1 3.89Å; F83-L87 HydrophobicContact CZ-CD1 3.97Å; F83-L87 WeakPolarHBondContact O-CB 3.29Å; F83-L87 PolarHBondContact O-N 2.95Å; L84-L87 PolarHBondContact O-N 3.48Å; E85-L87 VanDerWaalsContact C-N 3.31Å; E85-L87 PolarHBondContact O-N 3.43Å; L87-A90 PolarHBondContact O-N 3.42Å; L87-L91 HydrophobicContact CD2-CD1 3.57Å; L87-L91 HydrophobicContact CD2-CG 4.45Å; L87-L91 HydrophobicContact CG-CD1 4.43Å; L87-L91 VanDerWaalsContact O-CB 3.28Å; L87-L91 WeakPolarHBondContact O-CB 3.09Å; L87-L91 WeakPolarHBondContact O-CG 3.36Å; L87-L91 PolarHBondContact O-N 2.81Å |
| 88 | N | 48.7 | Very low | 51 | Low | 74 Ų | 74 | 96.4 Ų | 96.4 | 40% | 0.396 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.9 | -38 | 173.5 | -172.7 | 35.8 | 0 | 0 | 0 | 111.7 | L84 E85 L91 R92 | L84-N88 WeakPolarHBondContact O-CB 3.41Å; L84-N88 PolarHBondContact O-N 2.86Å; E85-N88 PolarHBondContact O-N 3.05Å; N88-L91 PolarHBondContact O-N 3.4Å; N88-R92 WeakPolarHBondContact O-CB 3.39Å; N88-R92 WeakPolarHBondContact O-CG 3.44Å; N88-R92 PolarHBondContact O-N 2.9Å |
| 89 | S | 56.4 | Low | 50.2 | Low | 74 Ų | 74 | 98.1 Ų | 98.1 | 52% | 0.517 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.2 | -48 | 172.4 | -173 | 0 | 0 | 0 | 0 | 110.3 | E85 T86 L91 R92 T93 | E85-S89 VanDerWaalsContact O-CB 3.25Å; E85-S89 WeakPolarHBondContact O-CB 3.36Å; E85-S89 PolarHBondContact O-N 2.75Å; T86-S89 PolarHBondContact O-N 2.97Å; S89-L91 VanDerWaalsContact C-N 3.35Å; S89-L91 PolarHBondContact O-N 3.46Å; S89-R92 PolarHBondContact O-N 3.43Å; S89-T93 PolarHBondContact O-N 3.39Å; S89-T93 PolarHBondContact O-OG1 3.29Å |
| 90 | A | 47.6 | Very low | 49.7 | Very low | 56 Ų | 56 | 94 Ų | 94 | 46% | 0.463 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.3 | -39.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | T86 L87 T93 F94 | T86-A90 VanDerWaalsContact O-CB 3.28Å; T86-A90 WeakPolarHBondContact O-CB 3.29Å; T86-A90 PolarHBondContact O-N 3.38Å; L87-A90 PolarHBondContact O-N 3.42Å; A90-T93 PolarHBondContact O-N 2.86Å; A90-F94 VanDerWaalsContact O-CB 3.29Å; A90-F94 WeakPolarHBondContact O-CB 3.31Å; A90-F94 PolarHBondContact O-N 2.85Å |
| 91 | L | 45.1 | Very low | 49.2 | Very low | 85 Ų | 85 | 93 Ų | 93 | 45% | 0.445 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.7 | -42 | 173.9 | -84 | 164.5 | 0 | 0 | 0 | 111.6 | L87 N88 S89 F94 E95 | L87-L91 HydrophobicContact CD2-CD1 3.57Å; L87-L91 HydrophobicContact CD2-CG 4.45Å; L87-L91 HydrophobicContact CG-CD1 4.43Å; L87-L91 VanDerWaalsContact O-CB 3.28Å; L87-L91 WeakPolarHBondContact O-CB 3.09Å; L87-L91 WeakPolarHBondContact O-CG 3.36Å; L87-L91 PolarHBondContact O-N 2.81Å; N88-L91 PolarHBondContact O-N 3.4Å; S89-L91 VanDerWaalsContact C-N 3.35Å; S89-L91 PolarHBondContact O-N 3.46Å; L91-F94 CarbonylContact O-C 3.55Å; L91-F94 PolarHBondContact O-N 3.21Å; L91-E95 WeakPolarHBondContact O-CB 3.32Å; L91-E95 WeakPolarHBondContact O-CG 3.21Å; L91-E95 PolarHBondContact O-N 2.93Å |
| 92 | R | 51.7 | Low | 48.8 | Very low | 146 Ų | 146 | 93.7 Ų | 93.7 | 55% | 0.551 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.2 | -42.9 | 173.2 | -80.1 | -172.6 | 178.5 | -158.2 | -1.1 | 111.4 | N88 S89 F94 E95 V96 | N88-R92 WeakPolarHBondContact O-CB 3.39Å; N88-R92 WeakPolarHBondContact O-CG 3.44Å; N88-R92 PolarHBondContact O-N 2.9Å; S89-R92 PolarHBondContact O-N 3.43Å; R92-F94 VanDerWaalsContact C-N 3.29Å; R92-F94 PolarHBondContact O-N 2.81Å; R92-E95 PolarHBondContact O-N 2.82Å; R92-V96 WeakPolarHBondContact O-CB 3.39Å; R92-V96 VanDerWaalsContact O-CG2 3.22Å; R92-V96 WeakPolarHBondContact O-CG2 3.25Å; R92-V96 PolarHBondContact O-N 2.92Å |
| 93 | T | 54 | Low | 48.4 | Very low | 82 Ų | 82 | 92.3 Ų | 92.3 | 50% | 0.503 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62 | -40.8 | 174.1 | -53.3 | 0 | 0 | 0 | 0 | 110.5 | S89 A90 T97 | S89-T93 PolarHBondContact O-N 3.39Å; S89-T93 PolarHBondContact O-OG1 3.29Å; A90-T93 PolarHBondContact O-N 2.86Å; T93-T97 WeakPolarHBondContact O-CB 3.1Å; T93-T97 PolarHBondContact O-N 3.38Å; T93-T97 PolarHBondContact O-OG1 3.32Å |
| 94 | F | 44.5 | Very low | 48.1 | Very low | 148 Ų | 148 | 90.6 Ų | 90.6 | 65% | 0.649 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -68.2 | -41.2 | 176.8 | -168.5 | -95 | 0 | 0 | 0 | 112.4 | A90 L91 R92 T97 A98 | A90-F94 VanDerWaalsContact O-CB 3.29Å; A90-F94 WeakPolarHBondContact O-CB 3.31Å; A90-F94 PolarHBondContact O-N 2.85Å; L91-F94 CarbonylContact O-C 3.55Å; L91-F94 PolarHBondContact O-N 3.21Å; R92-F94 VanDerWaalsContact C-N 3.29Å; R92-F94 PolarHBondContact O-N 2.81Å; F94-T97 PolarHBondContact O-N 3.38Å; F94-A98 WeakPolarHBondContact O-CB 3.33Å; F94-A98 PolarHBondContact O-N 3.47Å |
| 95 | E | 44.2 | Very low | 48.1 | Very low | 105 Ų | 105 | 94 Ų | 94 | 49% | 0.491 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62 | -47.2 | 173.9 | -78.1 | 177.6 | 170.4 | 0 | 0 | 110.5 | K45 L91 R92 A98 F99 | K45-E95 IonicContact NZ-OE1 3.94Å; K45-E95 IonicContact NZ-OE2 3.86Å; L91-E95 WeakPolarHBondContact O-CB 3.32Å; L91-E95 WeakPolarHBondContact O-CG 3.21Å; L91-E95 PolarHBondContact O-N 2.93Å; R92-E95 PolarHBondContact O-N 2.82Å; E95-A98 PolarHBondContact O-N 2.93Å; E95-F99 WeakPolarHBondContact O-CB 3.22Å; E95-F99 PolarHBondContact O-N 3.37Å |
| 96 | V | 49 | Very low | 47.5 | Very low | 101 Ų | 101 | 91.4 Ų | 91.4 | 61% | 0.612 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -65.2 | -40.4 | 177.1 | 173.2 | 0 | 0 | 0 | 0 | 111.2 | R92 A100 | R92-V96 WeakPolarHBondContact O-CB 3.39Å; R92-V96 VanDerWaalsContact O-CG2 3.22Å; R92-V96 WeakPolarHBondContact O-CG2 3.25Å; R92-V96 PolarHBondContact O-N 2.92Å; V96-A100 WeakPolarHBondContact O-CB 3.13Å; V96-A100 PolarHBondContact O-N 3.22Å |
| 97 | T | 47.5 | Very low | 47 | Very low | 72 Ų | 72 | 93.6 Ų | 93.6 | 44% | 0.442 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -71.1 | -41.8 | 179.1 | -52.8 | 0 | 0 | 0 | 0 | 111 | T93 F94 A100 L101 | T93-T97 WeakPolarHBondContact O-CB 3.1Å; T93-T97 PolarHBondContact O-N 3.38Å; T93-T97 PolarHBondContact O-OG1 3.32Å; F94-T97 PolarHBondContact O-N 3.38Å; T97-A100 PolarHBondContact O-N 2.98Å; T97-L101 WeakPolarHBondContact O-CB 3.38Å; T97-L101 PolarHBondContact O-N 3.24Å |
| 98 | A | 43.8 | Very low | 46.9 | Very low | 48 Ų | 48 | 94.2 Ų | 94.2 | 40% | 0.397 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66.6 | -38.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | F94 E95 L101 A102 | F94-A98 WeakPolarHBondContact O-CB 3.33Å; F94-A98 PolarHBondContact O-N 3.47Å; E95-A98 PolarHBondContact O-N 2.93Å; A98-L101 PolarHBondContact O-N 2.84Å; A98-A102 VanDerWaalsContact O-CB 3.25Å; A98-A102 WeakPolarHBondContact O-CB 3.3Å; A98-A102 PolarHBondContact O-N 2.81Å |
| 99 | F | 39.6 | Very low | 46.6 | Very low | 132 Ų | 132 | 94.9 Ų | 94.9 | 58% | 0.579 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -65.7 | -47.2 | 173.2 | -168.1 | -92.3 | 0 | 0 | 0 | 111 | E95 L101 A102 F103 | E95-F99 WeakPolarHBondContact O-CB 3.22Å; E95-F99 PolarHBondContact O-N 3.37Å; F99-L101 VanDerWaalsContact C-N 3.32Å; F99-L101 PolarHBondContact O-N 3.4Å; F99-A102 PolarHBondContact O-N 3.47Å; F99-F103 AromaticContact CD1-CD2 3.67Å; F99-F103 HydrophobicContact CD1-CD2 3.67Å; F99-F103 AromaticContact CD1-CE2 3.84Å; F99-F103 HydrophobicContact CD1-CE2 3.84Å; F99-F103 HydrophobicContact CD2-CD2 4.26Å; F99-F103 AromaticContact CD2-CE2 3.93Å; F99-F103 HydrophobicContact CD2-CE2 3.93Å; F99-F103 AromaticContact CE1-CD2 3.49Å; F99-F103 HydrophobicContact CE1-CD2 3.49Å; F99-F103 VanDerWaalsContact CE1-CD2 3.49Å; F99-F103 AromaticContact CE1-CE2 3.27Å; F99-F103 HydrophobicContact CE1-CE2 3.27Å; F99-F103 HydrophobicContact CE1-CG 4.29Å; F99-F103 AromaticContact CE1-CZ 3.87Å; F99-F103 HydrophobicContact CE1-CZ 3.87Å; F99-F103 HydrophobicContact CE2-CD2 4.12Å; F99-F103 AromaticContact CE2-CE2 3.38Å; F99-F103 HydrophobicContact CE2-CE2 3.38Å; F99-F103 HydrophobicContact CE2-CZ 4.17Å; F99-F103 HydrophobicContact CG-CD2 4.07Å; F99-F103 HydrophobicContact CG-CE2 4.15Å; F99-F103 AromaticContact CZ-CD2 3.76Å; F99-F103 HydrophobicContact CZ-CD2 3.76Å; F99-F103 AromaticContact CZ-CE2 3.02Å; F99-F103 HydrophobicContact CZ-CE2 3.02Å; F99-F103 AromaticContact CZ-CZ 3.52Å; F99-F103 HydrophobicContact CZ-CZ 3.52Å; F99-F103 VanDerWaalsContact O-CD2 3.32Å; F99-F103 WeakPolarHBondContact O-CD2 3.49Å; F99-F103 PolarHBondContact O-N 3.18Å |
| 100 | A | 45.7 | Very low | 45.7 | Very low | 56 Ų | 56 | 100.9 Ų | 100.9 | 46% | 0.463 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -61 | -40.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | V96 T97 S104 | V96-A100 WeakPolarHBondContact O-CB 3.13Å; V96-A100 PolarHBondContact O-N 3.22Å; T97-A100 PolarHBondContact O-N 2.98Å; A100-S104 WeakPolarHBondContact O-CB 3.3Å; A100-S104 PolarHBondContact O-N 3.42Å; A100-S104 PolarHBondContact O-OG 3.24Å |
| 101 | L | 44.7 | Very low | 45.1 | Very low | 101 Ų | 101 | 109.4 Ų | 109.4 | 53% | 0.529 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -65.4 | -43.1 | 175.2 | -130.5 | 100.5 | 0 | 0 | 0 | 111.3 | T97 A98 F99 S104 K105 | T97-L101 WeakPolarHBondContact O-CB 3.38Å; T97-L101 PolarHBondContact O-N 3.24Å; A98-L101 PolarHBondContact O-N 2.84Å; F99-L101 VanDerWaalsContact C-N 3.32Å; F99-L101 PolarHBondContact O-N 3.4Å; L101-S104 PolarHBondContact O-N 3.21Å; L101-S104 PolarHBondContact O-OG 2.87Å; L101-K105 PolarHBondContact O-N 2.79Å |
| 102 | A | 46.6 | Very low | 45.1 | Very low | 53 Ų | 53 | 110.7 Ų | 110.7 | 44% | 0.438 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -63.4 | -44.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | A98 F99 K105 I106 | A98-A102 VanDerWaalsContact O-CB 3.25Å; A98-A102 WeakPolarHBondContact O-CB 3.3Å; A98-A102 PolarHBondContact O-N 2.81Å; F99-A102 PolarHBondContact O-N 3.47Å; A102-K105 PolarHBondContact O-N 3Å; A102-I106 WeakPolarHBondContact O-CG1 3.46Å |
| 103 | F | 46.2 | Very low | 44.8 | Very low | 96 Ų | 96 | 108.8 Ų | 108.8 | 42% | 0.421 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -68.2 | -35.5 | 176.5 | -87.9 | -99.3 | 0 | 0 | 0 | 112.9 | F99 K105 I106 | F99-F103 AromaticContact CD1-CD2 3.67Å; F99-F103 HydrophobicContact CD1-CD2 3.67Å; F99-F103 AromaticContact CD1-CE2 3.84Å; F99-F103 HydrophobicContact CD1-CE2 3.84Å; F99-F103 HydrophobicContact CD2-CD2 4.26Å; F99-F103 AromaticContact CD2-CE2 3.93Å; F99-F103 HydrophobicContact CD2-CE2 3.93Å; F99-F103 AromaticContact CE1-CD2 3.49Å; F99-F103 HydrophobicContact CE1-CD2 3.49Å; F99-F103 VanDerWaalsContact CE1-CD2 3.49Å; F99-F103 AromaticContact CE1-CE2 3.27Å; F99-F103 HydrophobicContact CE1-CE2 3.27Å; F99-F103 HydrophobicContact CE1-CG 4.29Å; F99-F103 AromaticContact CE1-CZ 3.87Å; F99-F103 HydrophobicContact CE1-CZ 3.87Å; F99-F103 HydrophobicContact CE2-CD2 4.12Å; F99-F103 AromaticContact CE2-CE2 3.38Å; F99-F103 HydrophobicContact CE2-CE2 3.38Å; F99-F103 HydrophobicContact CE2-CZ 4.17Å; F99-F103 HydrophobicContact CG-CD2 4.07Å; F99-F103 HydrophobicContact CG-CE2 4.15Å; F99-F103 AromaticContact CZ-CD2 3.76Å; F99-F103 HydrophobicContact CZ-CD2 3.76Å; F99-F103 AromaticContact CZ-CE2 3.02Å; F99-F103 HydrophobicContact CZ-CE2 3.02Å; F99-F103 AromaticContact CZ-CZ 3.52Å; F99-F103 HydrophobicContact CZ-CZ 3.52Å; F99-F103 VanDerWaalsContact O-CD2 3.32Å; F99-F103 WeakPolarHBondContact O-CD2 3.49Å; F99-F103 PolarHBondContact O-N 3.18Å; F103-K105 PolarHBondContact O-N 2.96Å; F103-I106 PolarHBondContact O-N 3.1Å |
| 104 | S | 48.9 | Very low | 44.3 | Very low | 93 Ų | 93 | 110.3 Ų | 110.3 | 65% | 0.65 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -65.4 | -18.9 | 174.7 | 75.3 | 0 | 0 | 0 | 0 | 113.7 | A100 L101 | A100-S104 WeakPolarHBondContact O-CB 3.3Å; A100-S104 PolarHBondContact O-N 3.42Å; A100-S104 PolarHBondContact O-OG 3.24Å; L101-S104 PolarHBondContact O-N 3.21Å; L101-S104 PolarHBondContact O-OG 2.87Å |
| 105 | K | 49.7 | Very low | 44.3 | Very low | 163 Ų | 163 | 108.1 Ų | 108.1 | 71% | 0.709 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.8 | 1.9 | 177.2 | -72.1 | -163 | 178 | -171.2 | 0 | 114.2 | L101 A102 F103 P107 | L101-K105 PolarHBondContact O-N 2.79Å; A102-K105 PolarHBondContact O-N 3Å; F103-K105 PolarHBondContact O-N 2.96Å; K105-P107 VanDerWaalsContact O-CD 3.3Å; K105-P107 WeakPolarHBondContact O-CD 3.17Å |
| 106 | I | 41.7 | Very low | 44.3 | Very low | 72 Ų | 72 | 108.3 Ų | 108.3 | 37% | 0.369 | 61% | 0.609 | S | S | . | * | trans | -99 | 102 | 174.3 | -62 | 165 | 0 | 0 | 0 | 107.8 | A102 F103 S108 V109 | A102-I106 WeakPolarHBondContact O-CG1 3.46Å; F103-I106 PolarHBondContact O-N 3.1Å; I106-S108 WeakPolarHBondContact CG2-OG 3.32Å; I106-S108 PolarHBondContact O-N 2.79Å; I106-V109 HydrophobicContact CB-CG2 4.41Å; I106-V109 HydrophobicContact CG2-CG2 3.78Å | ||
| 107 | P | 42.5 | Very low | 43.9 | Very low | 131 Ų | 131 | 108.7 Ų | 108.7 | 85% | 0.851 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.1 | 13.2 | -177.7 | -12.2 | 29.9 | 0 | 0 | 0 | 114 | K105 | K105-P107 VanDerWaalsContact O-CD 3.3Å; K105-P107 WeakPolarHBondContact O-CD 3.17Å |
| 108 | S | 47.1 | Very low | 43.7 | Very low | 91 Ų | 91 | 111.4 Ų | 111.4 | 64% | 0.636 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.4 | 16.6 | -164.3 | 62.1 | 0 | 0 | 0 | 0 | 114.9 | I106 | I106-S108 WeakPolarHBondContact CG2-OG 3.32Å; I106-S108 PolarHBondContact O-N 2.79Å |
| 109 | V | 41.3 | Very low | 43.7 | Very low | 88 Ų | 88 | 116.2 Ų | 116.2 | 53% | 0.533 | 64% | 0.637 | S | S | . | * | S | Bend | trans | -101.4 | -2.6 | 172.7 | -172.9 | 0 | 0 | 0 | 0 | 112.2 | I106 | I106-V109 HydrophobicContact CB-CG2 4.41Å; I106-V109 HydrophobicContact CG2-CG2 3.78Å |
| 110 | F | 38 | Very low | 44 | Very low | 199 Ų | 199 | 114.9 Ų | 114.9 | 87% | 0.873 | 64% | 0.642 | S | S | * | * | trans | -119.1 | 71.9 | 172 | -72.4 | -85.7 | 0 | 0 | 0 | 110.1 | ||||
| 111 | L | 36.1 | Very low | 43.9 | Very low | 236 Ų | 236 | 120.3 Ų | 120.3 | 100% | 1.236 | 66% | 0.659 | S | S | * | * | trans | -152.2 | 0 | 160.3 | -103 | 164.6 | 0 | 0 | 0 | 108.9 |
Retrieved 111 of 111 residues in 68.9 ms
(Link to these results)