| 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 | 43.8 | Very low | 59.7 | Low | 239 Ų | 239 | 144.7 Ų | 144.7 | 100% | 1.177 | 83% | 0.828 | S | S | * | * | 0 | 97.2 | 0 | -79.5 | 161.5 | 162 | 0 | 0 | 107.4 | |||||
| 2 | S | 45.6 | Very low | 60.7 | Low | 125 Ų | 125 | 147.3 Ų | 147.3 | 87% | 0.874 | 82% | 0.823 | S | S | * | * | trans | -96.9 | 109.4 | -177.9 | -56.9 | 0 | 0 | 0 | 0 | 108.4 | A4 | S2-A4 PolarHBondContact O-N 2.8Š| ||
| 3 | T | 53.1 | Low | 61.6 | Low | 130 Ų | 130 | 149.6 Ų | 149.6 | 80% | 0.798 | 82% | 0.819 | S | S | * | * | trans | -75.2 | 106.3 | 178.8 | -50.2 | 0 | 0 | 0 | 0 | 109.1 | M5 | T3-M5 PolarHBondContact O-N 3.01Š| ||
| 4 | A | 58.6 | Low | 62.2 | Low | 83 Ų | 83 | 145.9 Ų | 145.9 | 69% | 0.686 | 81% | 0.806 | S | S | * | * | trans | -65.3 | 118.6 | 173 | 0 | 0 | 0 | 0 | 0 | 110.2 | S2 N6 | S2-A4 PolarHBondContact O-N 2.8Å; A4-N6 PolarHBondContact O-N 3.21Å | ||
| 5 | M | 69.2 | Low | 62.6 | Low | 160 Ų | 160 | 152 Ų | 152 | 79% | 0.788 | 81% | 0.812 | S | S | * | * | trans | -74.9 | 100.4 | 172.6 | -68.5 | -84.3 | -172.6 | 0 | 0 | 108.9 | T3 F7 | T3-M5 PolarHBondContact O-N 3.01Å; M5-F7 HydrophobicContact CB-CD2 4.16Å; M5-F7 HydrophobicContact CB-CE2 3.98Å; M5-F7 PolarHBondContact O-N 2.85Å | ||
| 6 | N | 62.3 | Low | 62.8 | Low | 160 Ų | 160 | 147.5 Ų | 147.5 | 86% | 0.856 | 80% | 0.802 | S | S | * | * | trans | -71.3 | 93 | 168.6 | -94.5 | -58.5 | 0 | 0 | 0 | 109.5 | A4 G8 | A4-N6 PolarHBondContact O-N 3.21Å; N6-G8 VanDerWaalsContact C-N 3.28Å; N6-G8 PolarHBondContact O-N 3.42Å | ||
| 7 | F | 64.9 | Low | 63 | Low | 189 Ų | 189 | 142.8 Ų | 142.8 | 83% | 0.829 | 78% | 0.781 | S | S | * | * | trans | -71.2 | 89.2 | 166.4 | -82.8 | -91.4 | 0 | 0 | 0 | 108.8 | M5 T9 | M5-F7 HydrophobicContact CB-CD2 4.16Å; M5-F7 HydrophobicContact CB-CE2 3.98Å; M5-F7 PolarHBondContact O-N 2.85Å; F7-T9 PolarHBondContact O-N 3.25Å | ||
| 8 | G | 60.2 | Low | 63 | Low | 61 Ų | 61 | 144.7 Ų | 144.7 | 63% | 0.629 | 79% | 0.79 | S | S | * | * | trans | -48.3 | 131.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | N6 K10 | N6-G8 VanDerWaalsContact C-N 3.28Å; N6-G8 PolarHBondContact O-N 3.42Å; G8-K10 PolarHBondContact O-N 2.98Å | ||
| 9 | T | 64.6 | Low | 62.9 | Low | 146 Ų | 146 | 143.3 Ų | 143.3 | 90% | 0.896 | 78% | 0.776 | S | S | * | * | trans | -63.7 | 63.7 | 179 | 46.1 | 0 | 0 | 0 | 0 | 112 | F7 S11 | F7-T9 PolarHBondContact O-N 3.25Å; T9-S11 PolarHBondContact O-N 2.88Å | ||
| 10 | K | 66.4 | Low | 62.6 | Low | 196 Ų | 196 | 138.4 Ų | 138.4 | 85% | 0.852 | 76% | 0.76 | S | S | * | * | trans | -67.5 | 115.9 | 163 | -73.3 | -170.9 | 177.5 | 179.5 | 0 | 106.7 | G8 F12 | G8-K10 PolarHBondContact O-N 2.98Å; K10-F12 PolarHBondContact O-N 2.04Å | ||
| 11 | S | 68.2 | Low | 62.4 | Low | 103 Ų | 103 | 135.8 Ų | 135.8 | 72% | 0.72 | 75% | 0.751 | S | S | * | * | trans | -54.8 | 108.8 | 172.4 | 47.2 | 0 | 0 | 0 | 0 | 108.6 | T9 K13 | T9-S11 PolarHBondContact O-N 2.88Å; S11-K13 PolarHBondContact O-N 3.36Å | ||
| 12 | F | 71.5 | Confident | 62.6 | Low | 176 Ų | 176 | 131.9 Ų | 131.9 | 77% | 0.772 | 73% | 0.728 | S | S | * | * | trans | -66.3 | 99.6 | 172.4 | -179.4 | -103.3 | 0 | 0 | 0 | 106.5 | K10 P14 | K10-F12 PolarHBondContact O-N 2.04Å; F12-P14 HydrophobicContact CD1-CB 4.21Å; F12-P14 HydrophobicContact CD1-CG 3.86Å; F12-P14 HydrophobicContact CE1-CB 3.72Å; F12-P14 HydrophobicContact CE1-CG 3.86Å; F12-P14 WeakPolarHBondContact O-CD 3.19Å | ||
| 13 | K | 72.9 | Confident | 63.3 | Low | 177 Ų | 177 | 130.4 Ų | 130.4 | 77% | 0.77 | 72% | 0.716 | S | S | * | * | trans | -79.1 | 103 | 165.3 | -73.4 | -171.5 | 177.4 | -175.7 | 0 | 106.1 | S11 R15 | S11-K13 PolarHBondContact O-N 3.36Å; K13-R15 PolarHBondContact O-N 2.93Å; K13-R15 VanDerWaalsContact O-N 3.1Å | ||
| 14 | P | 68.8 | Low | 63.6 | Low | 98 Ų | 98 | 126.6 Ų | 126.6 | 64% | 0.636 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 120.8 | 178.3 | -10.7 | 26.7 | 0 | 0 | 0 | 106.8 | F12 A16 | F12-P14 HydrophobicContact CD1-CB 4.21Å; F12-P14 HydrophobicContact CD1-CG 3.86Å; F12-P14 HydrophobicContact CE1-CB 3.72Å; F12-P14 HydrophobicContact CE1-CG 3.86Å; F12-P14 WeakPolarHBondContact O-CD 3.19Å; P14-A16 PolarHBondContact O-N 3.3Å |
| 15 | R | 68.9 | Low | 63.8 | Low | 237 Ų | 237 | 124.5 Ų | 124.5 | 89% | 0.894 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 131.4 | 164.1 | -68.6 | -173.5 | -178.7 | -150.9 | 0.8 | 106.1 | K13 | K13-R15 PolarHBondContact O-N 2.93Å; K13-R15 VanDerWaalsContact O-N 3.1Å |
| 16 | A | 65 | Low | 63.6 | Low | 80 Ų | 80 | 123.4 Ų | 123.4 | 66% | 0.661 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 136.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 107.8 | P14 D18 | P14-A16 PolarHBondContact O-N 3.3Å; A16-D18 PolarHBondContact O-N 3.46Å |
| 17 | P | 67.3 | Low | 64.1 | Low | 68 Ų | 68 | 123.8 Ų | 123.8 | 44% | 0.442 | 65% | 0.654 | S | S | . | * | P | Polyproline II helix | trans | -55.4 | 137.8 | 175.2 | -18.5 | 28.6 | 0 | 0 | 0 | 108.6 | K19 G20 | P17-K19 PolarHBondContact O-N 3.3Å; P17-G20 WeakPolarHBondContact O-CA 3.44Å; P17-G20 PolarHBondContact O-N 3Å |
| 18 | D | 62.7 | Low | 65.1 | Low | 176 Ų | 176 | 116.1 Ų | 116.1 | 94% | 0.941 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.8 | -22.2 | 179.9 | -69.4 | -44.3 | 0 | 0 | 0 | 112.7 | A16 | A16-D18 PolarHBondContact O-N 3.46Š|
| 19 | K | 60.6 | Low | 66.3 | Low | 119 Ų | 119 | 116.5 Ų | 116.5 | 52% | 0.517 | 61% | 0.614 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -105.7 | 16 | 177.7 | -61.6 | -177.3 | -178.1 | -81 | 0 | 113.6 | P17 E71 | P17-K19 PolarHBondContact O-N 3.3Å; K19-E71 VanDerWaalsContact NZ-CD 3.29Å; K19-E71 IonicContact NZ-OE1 2.87Å; K19-E71 PolarHBondContact NZ-OE1 3.39Å; K19-E71 IonicContact NZ-OE2 3.01Å; K19-E71 PolarHBondContact NZ-OE2 3.09Å |
| 20 | G | 57.2 | Low | 67.5 | Low | 44 Ų | 44 | 109.6 Ų | 109.6 | 45% | 0.454 | 57% | 0.572 | S | S | . | * | trans | 89.1 | 142.6 | 179 | 0 | 0 | 0 | 0 | 0 | 113.9 | P17 | P17-G20 WeakPolarHBondContact O-CA 3.44Å; P17-G20 PolarHBondContact O-N 3Å | ||
| 21 | S | 57.8 | Low | 68.7 | Low | 84 Ų | 84 | 105.9 Ų | 105.9 | 59% | 0.587 | 56% | 0.556 | S | S | * | * | trans | -82.2 | 124.9 | 164.6 | 177.6 | 0 | 0 | 0 | 0 | 107.8 | P23 | S21-P23 WeakPolarHBondContact O-CD 3.44Å; S21-P23 VanDerWaalsContact O-N 3.1Å | ||
| 22 | F | 49.1 | Very low | 69.8 | Low | 157 Ų | 157 | 104 Ų | 104 | 69% | 0.689 | 55% | 0.546 | S | S | * | . | S | Bend | trans | -34 | 113.6 | 162.8 | -164.7 | -83.5 | 0 | 0 | 0 | 110.4 | L24 | F22-L24 HydrophobicContact CB-CD1 3.92Å; F22-L24 HydrophobicContact CD2-CB 3.69Å; F22-L24 HydrophobicContact CD2-CD1 3.72Å; F22-L24 HydrophobicContact CD2-CG 4.14Å; F22-L24 HydrophobicContact CE2-CB 3.9Å; F22-L24 HydrophobicContact CG-CB 4.4Å; F22-L24 HydrophobicContact CG-CD1 4.2Å |
| 23 | P | 60 | Low | 70.8 | Confident | 95 Ų | 95 | 99 Ų | 99 | 62% | 0.617 | 52% | 0.524 | S | S | * | . | -108.9 | 102 | 72.3 | 33.7 | -29.5 | 0 | 0 | 0 | 111.7 | S21 D25 | S21-P23 WeakPolarHBondContact O-CD 3.44Å; S21-P23 VanDerWaalsContact O-N 3.1Å; P23-D25 PolarHBondContact O-N 3.09Å | |||
| 24 | L | 60.3 | Low | 71.7 | Confident | 49 Ų | 49 | 94.8 Ų | 94.8 | 26% | 0.257 | 51% | 0.506 | S | S | . | . | trans | -73.8 | 4 | -161.7 | -120 | 85.3 | 0 | 0 | 0 | 116.6 | F22 R62 | F22-L24 HydrophobicContact CB-CD1 3.92Å; F22-L24 HydrophobicContact CD2-CB 3.69Å; F22-L24 HydrophobicContact CD2-CD1 3.72Å; F22-L24 HydrophobicContact CD2-CG 4.14Å; F22-L24 HydrophobicContact CE2-CB 3.9Å; F22-L24 HydrophobicContact CG-CB 4.4Å; F22-L24 HydrophobicContact CG-CD1 4.2Å; L24-R62 VanDerWaalsContact CD2-NH2 3.3Å; L24-R62 VanDerWaalsContact CG-NH2 3.26Å | ||
| 25 | D | 61.3 | Low | 72.8 | Confident | 39 Ų | 39 | 95.1 Ų | 95.1 | 21% | 0.209 | 50% | 0.499 | C | S | . | . | trans | -159 | 103.3 | -177.1 | -129.4 | -17.8 | 0 | 0 | 0 | 105.3 | P23 F27 G28 E29 C30 L67 | P23-D25 PolarHBondContact O-N 3.09Å; D25-F27 VanDerWaalsContact C-N 3.26Å; D25-F27 PolarHBondContact O-N 3.48Å; D25-G28 WeakPolarHBondContact OD2-CA 3.49Å; D25-E29 PolarHBondContact OD1-N 3.19Å; D25-C30 PolarHBondContact OD1-N 3.03Å; D25-L67 VanDerWaalsContact OD1-CD1 3.3Å; D25-L67 WeakPolarHBondContact OD1-CD1 3.48Å | ||
| 26 | H | 64.6 | Low | 74.1 | Confident | 137 Ų | 137 | 89.2 Ų | 89.2 | 63% | 0.634 | 48% | 0.48 | S | S | * | . | S | Bend | trans | -69.5 | -32.2 | -173.1 | -151.7 | -97.2 | 0 | 0 | 0 | 110.5 | ||
| 27 | F | 73.8 | Confident | 75.5 | Confident | 168 Ų | 168 | 86.5 Ų | 86.5 | 74% | 0.737 | 45% | 0.453 | S | S | * | . | S | Bend | trans | -131.4 | 6.2 | 178 | -59.8 | -73.1 | 0 | 0 | 0 | 113.9 | D25 E29 | D25-F27 VanDerWaalsContact C-N 3.26Å; D25-F27 PolarHBondContact O-N 3.48Å; F27-E29 WeakPolarHBondContact CD2-OE1 3.05Å; F27-E29 PolarHBondContact N-OE2 3.41Å |
| 28 | G | 85.1 | Confident | 76.8 | Confident | 28 Ų | 28 | 86.9 Ų | 86.9 | 29% | 0.289 | 45% | 0.45 | S | S | . | . | trans | 79.7 | 27.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | D25 C30 K31 | D25-G28 WeakPolarHBondContact OD2-CA 3.49Å; G28-C30 PolarHBondContact O-N 2.73Å; G28-K31 WeakPolarHBondContact O-CB 3.22Å; G28-K31 PolarHBondContact O-N 3.16Å | ||
| 29 | E | 86.3 | Confident | 78.4 | Confident | 70 Ų | 70 | 83 Ų | 83 | 33% | 0.327 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | -36.3 | -177 | -63.6 | 93.7 | 151.3 | 0 | 0 | 112 | D25 F27 L67 | D25-E29 PolarHBondContact OD1-N 3.19Å; F27-E29 WeakPolarHBondContact CD2-OE1 3.05Å; F27-E29 PolarHBondContact N-OE2 3.41Å; E29-L67 HydrophobicContact CB-CD1 4.4Å |
| 30 | C | 90.1 | Very high | 80.1 | Confident | 0 Ų | 0 | 77.7 Ų | 77.7 | 0% | 0 | 40% | 0.404 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104 | 15.8 | -179.8 | -61.2 | 0 | 0 | 0 | 0 | 113.9 | D25 G28 A32 F33 K34 Y58 C61 R62 | D25-C30 PolarHBondContact OD1-N 3.03Å; G28-C30 PolarHBondContact O-N 2.73Å; C30-A32 VanDerWaalsContact C-N 3.34Å; C30-A32 PolarHBondContact O-N 3.14Å; C30-F33 PolarHBondContact O-N 3.4Å; C30-K34 PolarHBondContact O-N 3.18Å; C30-Y58 HydrophobicContact CB-CD2 4.12Å; C30-Y58 HydrophobicContact CB-CE2 3.93Å; C30-C61 WeakPolarHBondContact CA-SG 3.41Å; C30-C61 HydrophobicContact CB-CB 3.93Å; C30-C61 WeakPolarHBondContact CB-SG 3.28Å; C30-C61 WeakPolarHBondContact SG-CB 3.17Å; C30-C61 CovalentContact SG-SG 2.04Å; C30-C61 PolarHBondContact SG-SG 3.12Å; C30-R62 HydrophobicContact CB-CG 4.07Å; C30-R62 PolarHBondContact SG-N 3.23Å |
| 31 | K | 90.7 | Very high | 82 | Confident | 119 Ų | 119 | 76.1 Ų | 76.1 | 52% | 0.517 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -58.8 | -40.4 | -176.5 | -176 | 178.3 | 173.9 | -175.5 | 0 | 113.2 | G28 F33 K34 E35 | G28-K31 WeakPolarHBondContact O-CB 3.22Å; G28-K31 PolarHBondContact O-N 3.16Å; K31-F33 PolarHBondContact O-N 3.47Å; K31-K34 WeakPolarHBondContact O-CB 3.31Å; K31-K34 PolarHBondContact O-N 3.08Å; K31-E35 WeakPolarHBondContact CE-OE1 3.37Å; K31-E35 HydrophobicContact CG-CG 4.42Å; K31-E35 IonicContact NZ-OE1 3.99Å; K31-E35 WeakPolarHBondContact O-CG 3.3Å; K31-E35 PolarHBondContact O-N 3.2Å |
| 32 | A | 91.8 | Very high | 83.9 | Confident | 63 Ų | 63 | 79.3 Ų | 79.3 | 52% | 0.521 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -62.3 | -42.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | C30 E35 K36 | C30-A32 VanDerWaalsContact C-N 3.34Å; C30-A32 PolarHBondContact O-N 3.14Å; A32-E35 PolarHBondContact O-N 3.19Å; A32-K36 WeakPolarHBondContact O-CG 3.39Å; A32-K36 PolarHBondContact O-N 3.22Å; A32-K36 VanDerWaalsContact O-N 3.14Å |
| 33 | F | 92.4 | Very high | 86.2 | Confident | 71 Ų | 71 | 77.9 Ų | 77.9 | 31% | 0.311 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -69.7 | -39.4 | 176.8 | -62 | -78.4 | 0 | 0 | 0 | 111.7 | C30 K31 E35 K36 F37 E57 Y58 C61 | C30-F33 PolarHBondContact O-N 3.4Å; K31-F33 PolarHBondContact O-N 3.47Å; F33-E35 VanDerWaalsContact C-N 3.33Å; F33-E35 PolarHBondContact O-N 2.97Å; F33-K36 PolarHBondContact O-N 2.91Å; F33-F37 PolarHBondContact O-N 3.16Å; F33-E57 HydrophobicContact CD1-CB 3.89Å; F33-E57 HydrophobicContact CE1-CB 4.32Å; F33-Y58 HydrophobicContact CB-CD2 4.04Å; F33-C61 HydrophobicContact CD2-CB 3.75Å; F33-C61 HydrophobicContact CE2-CB 4.03Å; F33-C61 HydrophobicContact CG-CB 4.36Å |
| 34 | K | 91.2 | Very high | 87.9 | Confident | 89 Ų | 89 | 75.5 Ų | 75.5 | 39% | 0.387 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -57.2 | -46.6 | 172 | -179.9 | -173.2 | 172.1 | -176.3 | 0 | 111.3 | C30 K31 F37 M38 Y58 | C30-K34 PolarHBondContact O-N 3.18Å; K31-K34 WeakPolarHBondContact O-CB 3.31Å; K31-K34 PolarHBondContact O-N 3.08Å; K34-F37 PolarHBondContact O-N 3.35Å; K34-M38 HydrophobicContact CG-CG 4.24Å; K34-M38 WeakPolarHBondContact O-CB 2.99Å; K34-M38 WeakPolarHBondContact O-CG 3.33Å; K34-M38 PolarHBondContact O-N 3.42Å; K34-Y58 HydrophobicContact CB-CD2 3.98Å; K34-Y58 HydrophobicContact CB-CE2 3.59Å; K34-Y58 HydrophobicContact CG-CE2 4.32Å |
| 35 | E | 93.8 | Very high | 89.6 | Confident | 105 Ų | 105 | 78.8 Ų | 78.8 | 49% | 0.491 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -63.2 | -43.2 | -178.8 | -76.9 | 176.7 | 175.8 | 0 | 0 | 111.7 | K31 A32 F33 F37 M38 Q39 | K31-E35 WeakPolarHBondContact CE-OE1 3.37Å; K31-E35 HydrophobicContact CG-CG 4.42Å; K31-E35 IonicContact NZ-OE1 3.99Å; K31-E35 WeakPolarHBondContact O-CG 3.3Å; K31-E35 PolarHBondContact O-N 3.2Å; A32-E35 PolarHBondContact O-N 3.19Å; F33-E35 VanDerWaalsContact C-N 3.33Å; F33-E35 PolarHBondContact O-N 2.97Å; E35-F37 PolarHBondContact O-N 2.61Å; E35-M38 PolarHBondContact O-N 3.07Å; E35-Q39 VanDerWaalsContact O-CB 3.3Å; E35-Q39 WeakPolarHBondContact O-CB 3.4Å; E35-Q39 PolarHBondContact O-N 3.38Å |
| 36 | K | 94.8 | Very high | 91.1 | Very high | 112 Ų | 112 | 83.6 Ų | 83.6 | 49% | 0.487 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -59.2 | -45.6 | 173 | -71.7 | 176.9 | 179.2 | -179.5 | 0 | 112.3 | A32 F33 Q39 C40 | A32-K36 WeakPolarHBondContact O-CG 3.39Å; A32-K36 PolarHBondContact O-N 3.22Å; A32-K36 VanDerWaalsContact O-N 3.14Å; F33-K36 PolarHBondContact O-N 2.91Å; K36-Q39 PolarHBondContact O-N 3.46Å; K36-C40 PolarHBondContact O-N 3.5Å |
| 37 | F | 94.6 | Very high | 92.4 | Very high | 24 Ų | 24 | 79.6 Ų | 79.6 | 11% | 0.105 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -63.2 | -45.8 | 177.4 | 174.1 | -127.2 | 0 | 0 | 0 | 111.8 | F33 K34 E35 Q39 C40 L41 N48 C51 Q54 | F33-F37 PolarHBondContact O-N 3.16Å; K34-F37 PolarHBondContact O-N 3.35Å; E35-F37 PolarHBondContact O-N 2.61Å; F37-Q39 VanDerWaalsContact C-N 3.32Å; F37-Q39 PolarHBondContact O-N 3.19Å; F37-C40 WeakPolarHBondContact O-CB 3.31Å; F37-C40 PolarHBondContact O-N 3.3Å; F37-L41 HydrophobicContact CD1-CD1 4.29Å; F37-L41 HydrophobicContact CD2-CD1 4.48Å; F37-L41 HydrophobicContact CD2-CG 4.29Å; F37-L41 HydrophobicContact CE1-CD1 3.78Å; F37-L41 HydrophobicContact CE2-CD1 3.98Å; F37-L41 HydrophobicContact CE2-CD2 4.04Å; F37-L41 HydrophobicContact CE2-CG 3.88Å; F37-L41 HydrophobicContact CZ-CD1 3.61Å; F37-L41 HydrophobicContact CZ-CD2 4.21Å; F37-L41 HydrophobicContact CZ-CG 4.04Å; F37-L41 WeakPolarHBondContact O-CG 3.36Å; F37-L41 PolarHBondContact O-N 2.91Å; F37-N48 WeakPolarHBondContact CZ-OD1 3Å; F37-C51 HydrophobicContact CD2-CB 3.94Å; F37-C51 HydrophobicContact CE2-CB 3.81Å; F37-Q54 HydrophobicContact CB-CB 3.99Å; F37-Q54 HydrophobicContact CD2-CB 4.15Å |
| 38 | M | 94.6 | Very high | 93.2 | Very high | 76 Ų | 76 | 76 Ų | 76 | 37% | 0.374 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -66.8 | -33.6 | 178.2 | -68.3 | -66 | -103.6 | 0 | 0 | 112.3 | K34 E35 L41 R42 | K34-M38 HydrophobicContact CG-CG 4.24Å; K34-M38 WeakPolarHBondContact O-CB 2.99Å; K34-M38 WeakPolarHBondContact O-CG 3.33Å; K34-M38 PolarHBondContact O-N 3.42Å; E35-M38 PolarHBondContact O-N 3.07Å; M38-L41 PolarHBondContact O-N 3.4Å; M38-L41 HydrophobicContact SD-CD1 4.02Å; M38-R42 WeakPolarHBondContact O-CG 3.32Å; M38-R42 PolarHBondContact O-N 3.31Å; M38-R42 PolarHBondContact O-NH1 3.23Å |
| 39 | Q | 96.7 | Very high | 93.5 | Very high | 95 Ų | 95 | 77.8 Ų | 77.8 | 44% | 0.444 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -62.4 | -50.9 | 171.6 | 177.4 | 176.4 | -3.1 | 0 | 0 | 110.7 | E35 K36 F37 L41 R42 E43 | E35-Q39 VanDerWaalsContact O-CB 3.3Å; E35-Q39 WeakPolarHBondContact O-CB 3.4Å; E35-Q39 PolarHBondContact O-N 3.38Å; K36-Q39 PolarHBondContact O-N 3.46Å; F37-Q39 VanDerWaalsContact C-N 3.32Å; F37-Q39 PolarHBondContact O-N 3.19Å; Q39-L41 VanDerWaalsContact C-N 3.27Å; Q39-L41 PolarHBondContact O-N 3.45Å; Q39-R42 PolarHBondContact O-N 3.41Å; Q39-R42 VanDerWaalsContact O-N 3.09Å; Q39-E43 WeakPolarHBondContact CG-OE1 3.4Å; Q39-E43 PolarHBondContact NE2-OE1 2.97Å; Q39-E43 WeakPolarHBondContact O-CG 3.2Å; Q39-E43 PolarHBondContact O-N 3.14Å |
| 40 | C | 97.1 | Very high | 93.8 | Very high | 7 Ų | 7 | 80.2 Ų | 80.2 | 5% | 0.047 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -55.6 | -44.4 | 176.6 | 179.3 | 0 | 0 | 0 | 0 | 111.6 | K36 F37 R42 E43 N44 C51 Q54 | K36-C40 PolarHBondContact O-N 3.5Å; F37-C40 WeakPolarHBondContact O-CB 3.31Å; F37-C40 PolarHBondContact O-N 3.3Å; C40-R42 PolarHBondContact O-N 3.37Å; C40-E43 PolarHBondContact O-N 3.44Å; C40-N44 VanDerWaalsContact O-CB 3.31Å; C40-N44 WeakPolarHBondContact O-CB 3.36Å; C40-N44 PolarHBondContact O-N 3.43Å; C40-N44 PolarHBondContact O-ND2 2.85Å; C40-C51 HydrophobicContact CB-CB 3.83Å; C40-C51 WeakPolarHBondContact CB-SG 3.45Å; C40-C51 PolarHBondContact O-SG 2.95Å; C40-C51 VanDerWaalsContact O-SG 3.36Å; C40-C51 WeakPolarHBondContact SG-CA 3.41Å; C40-C51 WeakPolarHBondContact SG-CB 3.2Å; C40-C51 CovalentContact SG-SG 2.04Å; C40-C51 PolarHBondContact SG-SG 3.38Å; C40-Q54 HydrophobicContact CB-CG 4.21Å |
| 41 | L | 96.1 | Very high | 94.1 | Very high | 11 Ų | 11 | 80.2 Ų | 80.2 | 6% | 0.058 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -60 | -45.9 | 177.1 | -73.1 | 177.1 | 0 | 0 | 0 | 111.6 | F37 M38 Q39 E43 N44 T45 F46 C51 | F37-L41 HydrophobicContact CD1-CD1 4.29Å; F37-L41 HydrophobicContact CD2-CD1 4.48Å; F37-L41 HydrophobicContact CD2-CG 4.29Å; F37-L41 HydrophobicContact CE1-CD1 3.78Å; F37-L41 HydrophobicContact CE2-CD1 3.98Å; F37-L41 HydrophobicContact CE2-CD2 4.04Å; F37-L41 HydrophobicContact CE2-CG 3.88Å; F37-L41 HydrophobicContact CZ-CD1 3.61Å; F37-L41 HydrophobicContact CZ-CD2 4.21Å; F37-L41 HydrophobicContact CZ-CG 4.04Å; F37-L41 WeakPolarHBondContact O-CG 3.36Å; F37-L41 PolarHBondContact O-N 2.91Å; M38-L41 PolarHBondContact O-N 3.4Å; M38-L41 HydrophobicContact SD-CD1 4.02Å; Q39-L41 VanDerWaalsContact C-N 3.27Å; Q39-L41 PolarHBondContact O-N 3.45Å; L41-E43 VanDerWaalsContact C-N 3.31Å; L41-E43 PolarHBondContact O-N 2.98Å; L41-N44 CarbonylContact O-C 3.42Å; L41-N44 PolarHBondContact O-N 2.8Å; L41-T45 PolarHBondContact O-N 3.42Å; L41-F46 HydrophobicContact CB-CD1 4.05Å; L41-F46 WeakPolarHBondContact O-CA 3.37Å; L41-F46 PolarHBondContact O-N 3.24Å; L41-C51 HydrophobicContact CD2-CB 4.28Å; L41-C51 PolarHBondContact N-SG 3.3Å; L41-C51 VanDerWaalsContact N-SG 3.42Å |
| 42 | R | 97.1 | Very high | 94.2 | Very high | 150 Ų | 150 | 79.3 Ų | 79.3 | 57% | 0.566 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -60.7 | -41.6 | 178.4 | -73.9 | -173 | -60.5 | -92.2 | 3.1 | 112.1 | M38 Q39 C40 N44 F46 | M38-R42 WeakPolarHBondContact O-CG 3.32Å; M38-R42 PolarHBondContact O-N 3.31Å; M38-R42 PolarHBondContact O-NH1 3.23Å; Q39-R42 PolarHBondContact O-N 3.41Å; Q39-R42 VanDerWaalsContact O-N 3.09Å; C40-R42 PolarHBondContact O-N 3.37Å; R42-N44 VanDerWaalsContact C-N 3.3Å; R42-N44 PolarHBondContact O-N 3.35Å; R42-F46 HydrophobicContact CG-CE1 4.49Å; R42-F46 HydrophobicContact CG-CZ 4.19Å |
| 43 | E | 97.3 | Very high | 94.3 | Very high | 128 Ų | 128 | 80.8 Ų | 80.8 | 60% | 0.598 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -68.2 | -30.8 | 178.1 | -69.2 | 168.5 | -174.8 | 0 | 0 | 112.3 | Q39 C40 L41 | Q39-E43 WeakPolarHBondContact CG-OE1 3.4Å; Q39-E43 PolarHBondContact NE2-OE1 2.97Å; Q39-E43 WeakPolarHBondContact O-CG 3.2Å; Q39-E43 PolarHBondContact O-N 3.14Å; C40-E43 PolarHBondContact O-N 3.44Å; L41-E43 VanDerWaalsContact C-N 3.31Å; L41-E43 PolarHBondContact O-N 2.98Å |
| 44 | N | 96.1 | Very high | 94.3 | Very high | 44 Ų | 44 | 79.9 Ų | 79.9 | 24% | 0.235 | 38% | 0.382 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.4 | 27.3 | -175.9 | -70.5 | -80.9 | 0 | 0 | 0 | 113.5 | C40 L41 R42 F46 D47 K50 | C40-N44 VanDerWaalsContact O-CB 3.31Å; C40-N44 WeakPolarHBondContact O-CB 3.36Å; C40-N44 PolarHBondContact O-N 3.43Å; C40-N44 PolarHBondContact O-ND2 2.85Å; L41-N44 CarbonylContact O-C 3.42Å; L41-N44 PolarHBondContact O-N 2.8Å; R42-N44 VanDerWaalsContact C-N 3.3Å; R42-N44 PolarHBondContact O-N 3.35Å; N44-F46 PolarHBondContact O-N 2.88Å; N44-F46 VanDerWaalsContact O-N 3.16Å; N44-D47 WeakPolarHBondContact O-CB 3.27Å; N44-D47 PolarHBondContact O-N 3.46Å; N44-K50 HydrophobicContact CB-CB 4.16Å; N44-K50 HydrophobicContact CB-CD 4.02Å; N44-K50 VanDerWaalsContact OD1-CD 3.22Å; N44-K50 WeakPolarHBondContact OD1-CD 3Å |
| 45 | T | 96 | Very high | 94.4 | Very high | 119 Ų | 119 | 76.7 Ų | 76.7 | 73% | 0.73 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.2 | 36.9 | 177.2 | 54.4 | 0 | 0 | 0 | 0 | 113.8 | L41 D47 | L41-T45 PolarHBondContact O-N 3.42Å; T45-D47 PolarHBondContact O-N 3.49Å |
| 46 | F | 92.6 | Very high | 94.4 | Very high | 139 Ų | 139 | 73.1 Ų | 73.1 | 61% | 0.61 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.3 | 21.5 | -176.8 | -60.4 | -89.8 | 0 | 0 | 0 | 115.1 | L41 R42 N44 N48 | L41-F46 HydrophobicContact CB-CD1 4.05Å; L41-F46 WeakPolarHBondContact O-CA 3.37Å; L41-F46 PolarHBondContact O-N 3.24Å; R42-F46 HydrophobicContact CG-CE1 4.49Å; R42-F46 HydrophobicContact CG-CZ 4.19Å; N44-F46 PolarHBondContact O-N 2.88Å; N44-F46 VanDerWaalsContact O-N 3.16Å; F46-N48 PolarHBondContact O-N 3.39Å; F46-N48 PolarHBondContact O-ND2 2.79Å |
| 47 | D | 93.4 | Very high | 94.2 | Very high | 54 Ų | 54 | 70.9 Ų | 70.9 | 29% | 0.289 | 35% | 0.345 | S | S | . | . | trans | -75.4 | 108.1 | 172.4 | -172.4 | -8.4 | 0 | 0 | 0 | 110.9 | N44 T45 S49 K50 | N44-D47 WeakPolarHBondContact O-CB 3.27Å; N44-D47 PolarHBondContact O-N 3.46Å; T45-D47 PolarHBondContact O-N 3.49Å; D47-S49 VanDerWaalsContact C-N 3.27Å; D47-S49 PolarHBondContact O-N 2.04Å; D47-S49 VanDerWaalsContact OD1-CB 3.31Å; D47-S49 WeakPolarHBondContact OD1-CB 3.43Å; D47-S49 PolarHBondContact OD1-N 3.01Å; D47-S49 PolarHBondContact OD1-OG 3.1Å; D47-S49 PolarHBondContact OD2-OG 3.03Å; D47-K50 HydrophobicContact CB-CD 4.32Å; D47-K50 HydrophobicContact CB-CG 4.44Å; D47-K50 WeakPolarHBondContact OD2-CE 3.42Å | ||
| 48 | N | 89.4 | Confident | 94.1 | Very high | 91 Ų | 91 | 71.2 Ų | 71.2 | 49% | 0.487 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -68.5 | -26.3 | 179.6 | -82.8 | -101.7 | 0 | 0 | 0 | 112.7 | F37 F46 K50 C51 R52 | F37-N48 WeakPolarHBondContact CZ-OD1 3Å; F46-N48 PolarHBondContact O-N 3.39Å; F46-N48 PolarHBondContact O-ND2 2.79Å; N48-K50 PolarHBondContact O-N 3.01Å; N48-C51 PolarHBondContact O-N 3.22Å; N48-C51 VanDerWaalsContact O-N 3.16Å; N48-R52 PolarHBondContact O-N 3.38Å |
| 49 | S | 91.6 | Very high | 94 | Very high | 67 Ų | 67 | 69 Ų | 69 | 47% | 0.469 | 34% | 0.335 | S | S | . | . | G | 310 helix | trans | -65 | -32.4 | -177.1 | 70.5 | 0 | 0 | 0 | 0 | 112.1 | D47 R52 | D47-S49 VanDerWaalsContact C-N 3.27Å; D47-S49 PolarHBondContact O-N 2.04Å; D47-S49 VanDerWaalsContact OD1-CB 3.31Å; D47-S49 WeakPolarHBondContact OD1-CB 3.43Å; D47-S49 PolarHBondContact OD1-N 3.01Å; D47-S49 PolarHBondContact OD1-OG 3.1Å; D47-S49 PolarHBondContact OD2-OG 3.03Å; S49-R52 WeakPolarHBondContact O-CG 3.3Å |
| 50 | K | 93 | Very high | 93.7 | Very high | 121 Ų | 121 | 67.3 Ų | 67.3 | 53% | 0.526 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | -79.4 | -18.2 | 177.7 | -62 | -178.9 | -175.5 | 173.9 | 0 | 113.4 | N44 D47 N48 | N44-K50 HydrophobicContact CB-CB 4.16Å; N44-K50 HydrophobicContact CB-CD 4.02Å; N44-K50 VanDerWaalsContact OD1-CD 3.22Å; N44-K50 WeakPolarHBondContact OD1-CD 3Å; D47-K50 HydrophobicContact CB-CD 4.32Å; D47-K50 HydrophobicContact CB-CG 4.44Å; D47-K50 WeakPolarHBondContact OD2-CE 3.42Å; N48-K50 PolarHBondContact O-N 3.01Å |
| 51 | C | 95.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 33% | 0.328 | C | S | . | . | G | 310 helix | trans | -109.1 | 24.2 | -176.3 | -58.7 | 0 | 0 | 0 | 0 | 113 | F37 C40 L41 N48 L53 Q54 S55 | F37-C51 HydrophobicContact CD2-CB 3.94Å; F37-C51 HydrophobicContact CE2-CB 3.81Å; C40-C51 HydrophobicContact CB-CB 3.83Å; C40-C51 WeakPolarHBondContact CB-SG 3.45Å; C40-C51 PolarHBondContact O-SG 2.95Å; C40-C51 VanDerWaalsContact O-SG 3.36Å; C40-C51 WeakPolarHBondContact SG-CA 3.41Å; C40-C51 WeakPolarHBondContact SG-CB 3.2Å; C40-C51 CovalentContact SG-SG 2.04Å; C40-C51 PolarHBondContact SG-SG 3.38Å; L41-C51 HydrophobicContact CD2-CB 4.28Å; L41-C51 PolarHBondContact N-SG 3.3Å; L41-C51 VanDerWaalsContact N-SG 3.42Å; N48-C51 PolarHBondContact O-N 3.22Å; N48-C51 VanDerWaalsContact O-N 3.16Å; C51-L53 VanDerWaalsContact C-N 3.3Å; C51-L53 PolarHBondContact O-N 2.87Å; C51-Q54 PolarHBondContact O-N 3Å; C51-Q54 PolarHBondContact O-OE1 3.2Å; C51-S55 WeakPolarHBondContact O-CB 3.41Å; C51-S55 PolarHBondContact O-N 3.29Å |
| 52 | R | 93.9 | Very high | 93.1 | Very high | 99 Ų | 99 | 67.9 Ų | 67.9 | 37% | 0.374 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62.4 | -35.2 | -177.1 | -78 | -176.7 | 171.4 | -105.8 | -4.6 | 112.9 | N48 S49 S55 K56 G77 F78 L81 | N48-R52 PolarHBondContact O-N 3.38Å; S49-R52 WeakPolarHBondContact O-CG 3.3Å; R52-S55 PolarHBondContact O-N 3.34Å; R52-K56 WeakPolarHBondContact O-CB 3.07Å; R52-K56 PolarHBondContact O-N 3.46Å; R52-G77 PolarHBondContact NH1-O 2.94Å; R52-F78 HydrophobicContact CB-CE1 4.41Å; R52-F78 VanDerWaalsContact O-CE1 3.3Å; R52-F78 WeakPolarHBondContact O-CE1 3.2Å; R52-L81 HydrophobicContact CB-CD1 4.02Å |
| 53 | L | 92.2 | Very high | 92.8 | Very high | 95 Ų | 95 | 61.4 Ų | 61.4 | 50% | 0.497 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64.6 | -50.5 | 178.3 | -177.3 | 61.8 | 0 | 0 | 0 | 111.6 | C51 S55 K56 E57 | C51-L53 VanDerWaalsContact C-N 3.3Å; C51-L53 PolarHBondContact O-N 2.87Å; L53-S55 VanDerWaalsContact C-N 3.29Å; L53-S55 PolarHBondContact O-N 3.25Å; L53-K56 WeakPolarHBondContact O-CB 3.4Å; L53-K56 PolarHBondContact O-N 3.33Å; L53-E57 PolarHBondContact O-N 3.05Å; L53-E57 VanDerWaalsContact O-N 3.07Å |
| 54 | Q | 93.6 | Very high | 92.5 | Very high | 52 Ų | 52 | 60 Ų | 60 | 24% | 0.243 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65.9 | -35.1 | 179.6 | -60.1 | 83.1 | -11 | 0 | 0 | 111.2 | F37 C40 C51 Y58 | F37-Q54 HydrophobicContact CB-CB 3.99Å; F37-Q54 HydrophobicContact CD2-CB 4.15Å; C40-Q54 HydrophobicContact CB-CG 4.21Å; C51-Q54 PolarHBondContact O-N 3Å; C51-Q54 PolarHBondContact O-OE1 3.2Å; Q54-Y58 WeakPolarHBondContact O-CB 3.04Å; Q54-Y58 PolarHBondContact O-N 3.28Å; Q54-Y58 VanDerWaalsContact O-N 3.08Å |
| 55 | S | 93.1 | Very high | 92.1 | Very high | 22 Ų | 22 | 62.7 Ų | 62.7 | 15% | 0.154 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64.7 | -43 | 174 | -174.7 | 0 | 0 | 0 | 0 | 111.9 | C51 R52 L53 Y58 L59 | C51-S55 WeakPolarHBondContact O-CB 3.41Å; C51-S55 PolarHBondContact O-N 3.29Å; R52-S55 PolarHBondContact O-N 3.34Å; L53-S55 VanDerWaalsContact C-N 3.29Å; L53-S55 PolarHBondContact O-N 3.25Å; S55-Y58 PolarHBondContact O-N 2.84Å; S55-L59 WeakPolarHBondContact O-CG 3.43Å; S55-L59 PolarHBondContact O-N 2.87Å |
| 56 | K | 92.9 | Very high | 91.6 | Very high | 29 Ų | 29 | 65.4 Ų | 65.4 | 13% | 0.126 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -58.3 | -53.7 | 174.9 | 174.2 | -174.4 | 161.4 | -177.7 | 0 | 111 | R52 L53 Y58 L59 E60 L73 F78 L81 | R52-K56 WeakPolarHBondContact O-CB 3.07Å; R52-K56 PolarHBondContact O-N 3.46Å; L53-K56 WeakPolarHBondContact O-CB 3.4Å; L53-K56 PolarHBondContact O-N 3.33Å; K56-Y58 VanDerWaalsContact C-N 3.26Å; K56-Y58 PolarHBondContact O-N 3.06Å; K56-L59 PolarHBondContact O-N 3.2Å; K56-L59 VanDerWaalsContact O-N 3.1Å; K56-E60 WeakPolarHBondContact CE-OE1 3.41Å; K56-E60 HydrophobicContact CG-CG 4.35Å; K56-E60 IonicContact NZ-OE1 3.99Å; K56-E60 WeakPolarHBondContact O-CG 3.4Å; K56-E60 PolarHBondContact O-N 3.36Å; K56-L73 HydrophobicContact CD-CD1 4.15Å; K56-L73 HydrophobicContact CG-CD1 4.12Å; K56-L73 HydrophobicContact CG-CD2 4.15Å; K56-F78 HydrophobicContact CB-CD1 3.9Å; K56-F78 HydrophobicContact CB-CE1 3.88Å; K56-F78 HydrophobicContact CB-CG 4.31Å; K56-F78 HydrophobicContact CB-CZ 4.28Å; K56-L81 HydrophobicContact CB-CD1 4.44Å; K56-L81 HydrophobicContact CD-CB 4.34Å; K56-L81 HydrophobicContact CD-CD1 4.23Å |
| 57 | E | 92.4 | Very high | 91 | Very high | 66 Ų | 66 | 60.7 Ų | 60.7 | 31% | 0.308 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -58.2 | -40 | -179.6 | -68 | -179.2 | 165.6 | 0 | 0 | 112 | F33 L53 E60 C61 | F33-E57 HydrophobicContact CD1-CB 3.89Å; F33-E57 HydrophobicContact CE1-CB 4.32Å; L53-E57 PolarHBondContact O-N 3.05Å; L53-E57 VanDerWaalsContact O-N 3.07Å; E57-E60 PolarHBondContact O-N 3.4Å; E57-C61 PolarHBondContact O-N 3.16Å |
| 58 | Y | 91.9 | Very high | 90.5 | Very high | 30 Ų | 30 | 59.3 Ų | 59.3 | 12% | 0.118 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.6 | -40.7 | 177.3 | 176.7 | -124.4 | 0 | 0 | 0 | 112.5 | C30 F33 K34 Q54 S55 K56 R62 | C30-Y58 HydrophobicContact CB-CD2 4.12Å; C30-Y58 HydrophobicContact CB-CE2 3.93Å; F33-Y58 HydrophobicContact CB-CD2 4.04Å; K34-Y58 HydrophobicContact CB-CD2 3.98Å; K34-Y58 HydrophobicContact CB-CE2 3.59Å; K34-Y58 HydrophobicContact CG-CE2 4.32Å; Q54-Y58 WeakPolarHBondContact O-CB 3.04Å; Q54-Y58 PolarHBondContact O-N 3.28Å; Q54-Y58 VanDerWaalsContact O-N 3.08Å; S55-Y58 PolarHBondContact O-N 2.84Å; K56-Y58 VanDerWaalsContact C-N 3.26Å; K56-Y58 PolarHBondContact O-N 3.06Å; Y58-R62 HydrophobicContact CE2-CG 4.22Å; Y58-R62 WeakPolarHBondContact O-CG 3.36Å; Y58-R62 PolarHBondContact O-N 3.36Å |
| 59 | L | 91.3 | Very high | 90.3 | Very high | 29 Ų | 29 | 58.3 Ų | 58.3 | 15% | 0.152 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -72.4 | -37.6 | 177.5 | -69.1 | 171.6 | 0 | 0 | 0 | 112.2 | S55 K56 R62 M63 M68 F78 | S55-L59 WeakPolarHBondContact O-CG 3.43Å; S55-L59 PolarHBondContact O-N 2.87Å; K56-L59 PolarHBondContact O-N 3.2Å; K56-L59 VanDerWaalsContact O-N 3.1Å; L59-R62 PolarHBondContact O-N 2.96Å; L59-M63 WeakPolarHBondContact O-CG 3.45Å; L59-M63 PolarHBondContact O-N 3.08Å; L59-M68 HydrophobicContact CD2-SD 4.05Å; L59-F78 HydrophobicContact CD1-CE2 3.56Å; L59-F78 HydrophobicContact CD1-CZ 3.74Å |
| 60 | E | 91.1 | Very high | 90.1 | Very high | 61 Ų | 61 | 64 Ų | 64 | 29% | 0.285 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -58 | -49.9 | 173 | -75 | 174.8 | 152 | 0 | 0 | 110.9 | K56 E57 R62 M63 D64 L73 | K56-E60 WeakPolarHBondContact CE-OE1 3.41Å; K56-E60 HydrophobicContact CG-CG 4.35Å; K56-E60 IonicContact NZ-OE1 3.99Å; K56-E60 WeakPolarHBondContact O-CG 3.4Å; K56-E60 PolarHBondContact O-N 3.36Å; E57-E60 PolarHBondContact O-N 3.4Å; E60-R62 VanDerWaalsContact C-N 3.28Å; E60-R62 PolarHBondContact O-N 2.93Å; E60-M63 HydrophobicContact CG-CE 4.25Å; E60-M63 WeakPolarHBondContact O-CB 3.3Å; E60-M63 PolarHBondContact O-N 3.41Å; E60-M63 VanDerWaalsContact O-N 3.08Å; E60-D64 PolarHBondContact O-N 3.24Å; E60-L73 HydrophobicContact CG-CD1 4.29Å; E60-L73 HydrophobicContact CG-CD2 4.13Å; E60-L73 VanDerWaalsContact OE1-CD1 3.27Å; E60-L73 WeakPolarHBondContact OE1-CD1 3.47Å |
| 61 | C | 92.1 | Very high | 89.8 | Confident | 10 Ų | 10 | 61.4 Ų | 61.4 | 7% | 0.068 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -53.5 | -46.8 | 175.1 | 179 | 0 | 0 | 0 | 0 | 111.6 | C30 F33 E57 M63 D64 H65 | C30-C61 WeakPolarHBondContact CA-SG 3.41Å; C30-C61 HydrophobicContact CB-CB 3.93Å; C30-C61 WeakPolarHBondContact CB-SG 3.28Å; C30-C61 WeakPolarHBondContact SG-CB 3.17Å; C30-C61 CovalentContact SG-SG 2.04Å; C30-C61 PolarHBondContact SG-SG 3.12Å; F33-C61 HydrophobicContact CD2-CB 3.75Å; F33-C61 HydrophobicContact CE2-CB 4.03Å; F33-C61 HydrophobicContact CG-CB 4.36Å; E57-C61 PolarHBondContact O-N 3.16Å; C61-M63 VanDerWaalsContact C-N 3.31Å; C61-M63 PolarHBondContact O-N 3.47Å; C61-D64 PolarHBondContact O-N 3.45Å; C61-H65 PolarHBondContact O-CD2 3.49Å; C61-H65 VanDerWaalsContact O-CD2 3.23Å; C61-H65 PolarHBondContact O-N 3.45Å |
| 62 | R | 89.7 | Confident | 89.5 | Confident | 19 Ų | 19 | 64.4 Ų | 64.4 | 7% | 0.072 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -66.1 | -33.5 | -178.9 | -70.4 | -175.5 | 66.7 | -135.5 | -15.7 | 112.9 | L24 C30 Y58 L59 E60 Q66 L67 M68 | L24-R62 VanDerWaalsContact CD2-NH2 3.3Å; L24-R62 VanDerWaalsContact CG-NH2 3.26Å; C30-R62 HydrophobicContact CB-CG 4.07Å; C30-R62 PolarHBondContact SG-N 3.23Å; Y58-R62 HydrophobicContact CE2-CG 4.22Å; Y58-R62 WeakPolarHBondContact O-CG 3.36Å; Y58-R62 PolarHBondContact O-N 3.36Å; L59-R62 PolarHBondContact O-N 2.96Å; E60-R62 VanDerWaalsContact C-N 3.28Å; E60-R62 PolarHBondContact O-N 2.93Å; R62-Q66 PolarHBondContact O-N 3.49Å; R62-L67 HydrophobicContact CB-CB 4.15Å; R62-L67 HydrophobicContact CG-CB 4.39Å; R62-L67 HydrophobicContact CG-CD1 4.44Å; R62-L67 PolarHBondContact NH2-O 3.01Å; R62-L67 CarbonylContact O-C 3.52Å; R62-L67 WeakPolarHBondContact O-CA 3.36Å; R62-L67 WeakPolarHBondContact O-CB 3.5Å; R62-L67 PolarHBondContact O-N 3.13Å; R62-M68 HydrophobicContact CB-CB 4.16Å; R62-M68 PolarHBondContact O-N 3.36Å; R62-M68 VanDerWaalsContact O-N 3.09Å |
| 63 | M | 89.6 | Confident | 89.2 | Confident | 15 Ų | 15 | 60.4 Ų | 60.4 | 7% | 0.074 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -71.2 | -34.9 | 174.7 | -73.5 | -172.6 | -64.8 | 0 | 0 | 112.7 | L59 E60 C61 Q66 M68 R70 E71 L73 L76 | L59-M63 WeakPolarHBondContact O-CG 3.45Å; L59-M63 PolarHBondContact O-N 3.08Å; E60-M63 HydrophobicContact CG-CE 4.25Å; E60-M63 WeakPolarHBondContact O-CB 3.3Å; E60-M63 PolarHBondContact O-N 3.41Å; E60-M63 VanDerWaalsContact O-N 3.08Å; C61-M63 VanDerWaalsContact C-N 3.31Å; C61-M63 PolarHBondContact O-N 3.47Å; M63-Q66 PolarHBondContact O-N 3.27Å; M63-M68 HydrophobicContact CG-CB 4.37Å; M63-M68 HydrophobicContact CG-CG 4.44Å; M63-R70 HydrophobicContact CB-CG 4.16Å; M63-R70 PolarHBondContact O-NE 3.09Å; M63-E71 PolarHBondContact SD-N 2.98Å; M63-E71 VanDerWaalsContact SD-N 3.41Å; M63-L73 HydrophobicContact CE-CD2 3.94Å; M63-L76 HydrophobicContact CE-CD1 4.37Å; M63-L76 HydrophobicContact SD-CD1 4.25Å |
| 64 | D | 90.7 | Very high | 89 | Confident | 98 Ų | 98 | 59.7 Ų | 59.7 | 52% | 0.524 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -74.4 | -36.6 | 178.5 | -75.2 | -26.2 | 0 | 0 | 0 | 112.8 | E60 C61 Q66 R70 | E60-D64 PolarHBondContact O-N 3.24Å; C61-D64 PolarHBondContact O-N 3.45Å; D64-Q66 PolarHBondContact O-N 2.95Å; D64-R70 IonicContact OD1-CZ 3.79Å; D64-R70 IonicContact OD1-NE 3.99Å; D64-R70 IonicContact OD1-NH2 2.87Å; D64-R70 PolarHBondContact OD1-NH2 3Å |
| 65 | H | 87.7 | Confident | 88.7 | Confident | 100 Ų | 100 | 65.2 Ų | 65.2 | 46% | 0.463 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | 8.7 | 175.5 | -74 | -88 | 0 | 0 | 0 | 113.7 | C61 L67 | C61-H65 PolarHBondContact O-CD2 3.49Å; C61-H65 VanDerWaalsContact O-CD2 3.23Å; C61-H65 PolarHBondContact O-N 3.45Å; H65-L67 HydrophobicContact CB-CD1 4.04Å; H65-L67 HydrophobicContact CB-CG 3.91Å; H65-L67 PolarHBondContact O-N 3.44Å; H65-L67 VanDerWaalsContact O-N 3.09Å |
| 66 | Q | 85.9 | Confident | 88.4 | Confident | 176 Ų | 176 | 66.4 Ų | 66.4 | 82% | 0.822 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.2 | 22.1 | -179.4 | -52.8 | 174.6 | 47.4 | 0 | 0 | 113.4 | R62 M63 D64 | R62-Q66 PolarHBondContact O-N 3.49Å; M63-Q66 PolarHBondContact O-N 3.27Å; D64-Q66 PolarHBondContact O-N 2.95Å |
| 67 | L | 81.1 | Confident | 88.1 | Confident | 41 Ų | 41 | 66.8 Ų | 66.8 | 22% | 0.215 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -82.6 | -5.6 | 173.7 | -57.7 | 176.9 | 0 | 0 | 0 | 112.3 | D25 E29 R62 H65 | D25-L67 VanDerWaalsContact OD1-CD1 3.3Å; D25-L67 WeakPolarHBondContact OD1-CD1 3.48Å; E29-L67 HydrophobicContact CB-CD1 4.4Å; R62-L67 HydrophobicContact CB-CB 4.15Å; R62-L67 HydrophobicContact CG-CB 4.39Å; R62-L67 HydrophobicContact CG-CD1 4.44Å; R62-L67 PolarHBondContact NH2-O 3.01Å; R62-L67 CarbonylContact O-C 3.52Å; R62-L67 WeakPolarHBondContact O-CA 3.36Å; R62-L67 WeakPolarHBondContact O-CB 3.5Å; R62-L67 PolarHBondContact O-N 3.13Å; H65-L67 HydrophobicContact CB-CD1 4.04Å; H65-L67 HydrophobicContact CB-CG 3.91Å; H65-L67 PolarHBondContact O-N 3.44Å; H65-L67 VanDerWaalsContact O-N 3.09Å |
| 68 | M | 82.8 | Confident | 87.9 | Confident | 25 Ų | 25 | 64.1 Ų | 64.1 | 12% | 0.123 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -151.5 | 147.4 | 174.2 | -178 | 168.1 | 168.1 | 0 | 0 | 109 | L59 R62 M63 R70 L76 | L59-M68 HydrophobicContact CD2-SD 4.05Å; R62-M68 HydrophobicContact CB-CB 4.16Å; R62-M68 PolarHBondContact O-N 3.36Å; R62-M68 VanDerWaalsContact O-N 3.09Å; M63-M68 HydrophobicContact CG-CB 4.37Å; M63-M68 HydrophobicContact CG-CG 4.44Å; M68-R70 PolarHBondContact O-N 3.34Å; M68-L76 HydrophobicContact CE-CD1 4.38Å; M68-L76 HydrophobicContact CE-CD2 3.96Å |
| 69 | A | 85 | Confident | 87.6 | Confident | 70 Ų | 70 | 69 Ų | 69 | 58% | 0.579 | 34% | 0.344 | S | S | * | . | trans | -59.4 | 135.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | E71 | A69-E71 PolarHBondContact O-N 2.83Å; A69-E71 VanDerWaalsContact O-N 3.13Å | ||
| 70 | R | 85.8 | Confident | 87.3 | Confident | 187 Ų | 187 | 71.9 Ų | 71.9 | 71% | 0.706 | 36% | 0.359 | S | S | * | . | trans | -64.3 | 114.2 | 176.3 | -77 | -172.3 | 165.4 | -176.5 | -9.6 | 109.9 | M63 D64 M68 | M63-R70 HydrophobicContact CB-CG 4.16Å; M63-R70 PolarHBondContact O-NE 3.09Å; D64-R70 IonicContact OD1-CZ 3.79Å; D64-R70 IonicContact OD1-NE 3.99Å; D64-R70 IonicContact OD1-NH2 2.87Å; D64-R70 PolarHBondContact OD1-NH2 3Å; M68-R70 PolarHBondContact O-N 3.34Å | ||
| 71 | E | 87.3 | Confident | 86.8 | Confident | 65 Ų | 65 | 71.7 Ų | 71.7 | 30% | 0.304 | 36% | 0.36 | S | S | . | . | trans | -125 | 142.4 | 174.4 | -74.1 | -174.5 | -178.9 | 0 | 0 | 109.9 | K19 M63 A69 L73 L76 | K19-E71 VanDerWaalsContact NZ-CD 3.29Å; K19-E71 IonicContact NZ-OE1 2.87Å; K19-E71 PolarHBondContact NZ-OE1 3.39Å; K19-E71 IonicContact NZ-OE2 3.01Å; K19-E71 PolarHBondContact NZ-OE2 3.09Å; M63-E71 PolarHBondContact SD-N 2.98Å; M63-E71 VanDerWaalsContact SD-N 3.41Å; A69-E71 PolarHBondContact O-N 2.83Å; A69-E71 VanDerWaalsContact O-N 3.13Å; E71-L73 PolarHBondContact O-N 2.83Å; E71-L76 HydrophobicContact CB-CD1 4.4Å; E71-L76 HydrophobicContact CB-CG 4.39Å | ||
| 72 | P | 89.4 | Confident | 85.7 | Confident | 63 Ų | 63 | 75.3 Ų | 75.3 | 41% | 0.409 | 38% | 0.377 | S | S | . | . | trans | -58.6 | 132.8 | 174.2 | -19.3 | 29.1 | 0 | 0 | 0 | 110.7 | Q74 K75 L76 | P72-Q74 VanDerWaalsContact CB-OE1 3.24Å; P72-Q74 PolarHBondContact O-N 3.02Å; P72-K75 HydrophobicContact CB-CG 4.45Å; P72-K75 HydrophobicContact CG-CD 4.37Å; P72-K75 HydrophobicContact CG-CG 4.48Å; P72-K75 WeakPolarHBondContact O-CB 3.42Å; P72-K75 PolarHBondContact O-N 3.02Å; P72-L76 PolarHBondContact O-N 2.87Å | ||
| 73 | L | 87.4 | Confident | 84.6 | Confident | 15 Ų | 15 | 79.8 Ų | 79.8 | 8% | 0.079 | 40% | 0.403 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -28.4 | 179.2 | -70.5 | 174.6 | 0 | 0 | 0 | 113.3 | K56 E60 M63 E71 K75 L76 G77 F78 M82 | K56-L73 HydrophobicContact CD-CD1 4.15Å; K56-L73 HydrophobicContact CG-CD1 4.12Å; K56-L73 HydrophobicContact CG-CD2 4.15Å; E60-L73 HydrophobicContact CG-CD1 4.29Å; E60-L73 HydrophobicContact CG-CD2 4.13Å; E60-L73 VanDerWaalsContact OE1-CD1 3.27Å; E60-L73 WeakPolarHBondContact OE1-CD1 3.47Å; M63-L73 HydrophobicContact CE-CD2 3.94Å; E71-L73 PolarHBondContact O-N 2.83Å; L73-K75 VanDerWaalsContact C-N 3.26Å; L73-K75 PolarHBondContact O-N 3.36Å; L73-L76 HydrophobicContact CD2-CD1 4.39Å; L73-L76 CarbonylContact O-C 3.56Å; L73-L76 PolarHBondContact O-N 3.49Å; L73-L76 VanDerWaalsContact O-N 3.12Å; L73-G77 PolarHBondContact O-N 3.1Å; L73-G77 VanDerWaalsContact O-N 3.16Å; L73-F78 HydrophobicContact CB-CB 4.22Å; L73-F78 HydrophobicContact CD2-CD2 4.04Å; L73-F78 PolarHBondContact O-N 3.19Å; L73-M82 HydrophobicContact CB-SD 4.13Å; L73-M82 HydrophobicContact CD1-CE 4.08Å; L73-M82 HydrophobicContact CD1-SD 4.01Å |
| 74 | Q | 88.1 | Confident | 82.9 | Confident | 81 Ų | 81 | 84.4 Ų | 84.4 | 38% | 0.379 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -33.3 | 174.7 | -60.6 | 86.1 | -3.6 | 0 | 0 | 112.4 | P72 K79 M82 | P72-Q74 VanDerWaalsContact CB-OE1 3.24Å; P72-Q74 PolarHBondContact O-N 3.02Å; Q74-K79 HydrophobicContact CB-CD 4.39Å; Q74-K79 HydrophobicContact CB-CG 3.66Å; Q74-K79 HydrophobicContact CG-CG 3.99Å; Q74-K79 VanDerWaalsContact O-CE 3.28Å; Q74-K79 WeakPolarHBondContact O-CE 3.49Å; Q74-M82 PolarHBondContact NE2-SD 2.97Å |
| 75 | K | 87.9 | Confident | 81 | Confident | 168 Ų | 168 | 84.9 Ų | 84.9 | 73% | 0.73 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -26.6 | 175.6 | -65.2 | -169.2 | -178.9 | 178.6 | 0 | 112.1 | P72 L73 G77 | P72-K75 HydrophobicContact CB-CG 4.45Å; P72-K75 HydrophobicContact CG-CD 4.37Å; P72-K75 HydrophobicContact CG-CG 4.48Å; P72-K75 WeakPolarHBondContact O-CB 3.42Å; P72-K75 PolarHBondContact O-N 3.02Å; L73-K75 VanDerWaalsContact C-N 3.26Å; L73-K75 PolarHBondContact O-N 3.36Å; K75-G77 PolarHBondContact O-N 2.93Å |
| 76 | L | 85.8 | Confident | 79 | Confident | 47 Ų | 47 | 85.8 Ų | 85.8 | 25% | 0.246 | 46% | 0.457 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | -0.1 | 175 | -63.6 | 173.4 | 0 | 0 | 0 | 113.1 | M63 M68 E71 P72 L73 F78 | M63-L76 HydrophobicContact CE-CD1 4.37Å; M63-L76 HydrophobicContact SD-CD1 4.25Å; M68-L76 HydrophobicContact CE-CD1 4.38Å; M68-L76 HydrophobicContact CE-CD2 3.96Å; E71-L76 HydrophobicContact CB-CD1 4.4Å; E71-L76 HydrophobicContact CB-CG 4.39Å; P72-L76 PolarHBondContact O-N 2.87Å; L73-L76 HydrophobicContact CD2-CD1 4.39Å; L73-L76 CarbonylContact O-C 3.56Å; L73-L76 PolarHBondContact O-N 3.49Å; L73-L76 VanDerWaalsContact O-N 3.12Å; L76-F78 HydrophobicContact CB-CD2 3.8Å; L76-F78 HydrophobicContact CB-CE2 3.85Å |
| 77 | G | 87.4 | Confident | 77.1 | Confident | 36 Ų | 36 | 82 Ų | 82 | 37% | 0.371 | 45% | 0.449 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.4 | 20.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115 | R52 L73 K75 | R52-G77 PolarHBondContact NH1-O 2.94Å; L73-G77 PolarHBondContact O-N 3.1Å; L73-G77 VanDerWaalsContact O-N 3.16Å; K75-G77 PolarHBondContact O-N 2.93Å |
| 78 | F | 88.4 | Confident | 75.7 | Confident | 10 Ų | 10 | 89.3 Ų | 89.3 | 4% | 0.044 | 48% | 0.483 | C | S | . | . | trans | -105.8 | 32.4 | 177 | -57.7 | -79.5 | 0 | 0 | 0 | 113.1 | R52 K56 L59 L73 L76 D80 L81 | R52-F78 HydrophobicContact CB-CE1 4.41Å; R52-F78 VanDerWaalsContact O-CE1 3.3Å; R52-F78 WeakPolarHBondContact O-CE1 3.2Å; K56-F78 HydrophobicContact CB-CD1 3.9Å; K56-F78 HydrophobicContact CB-CE1 3.88Å; K56-F78 HydrophobicContact CB-CG 4.31Å; K56-F78 HydrophobicContact CB-CZ 4.28Å; L59-F78 HydrophobicContact CD1-CE2 3.56Å; L59-F78 HydrophobicContact CD1-CZ 3.74Å; L73-F78 HydrophobicContact CB-CB 4.22Å; L73-F78 HydrophobicContact CD2-CD2 4.04Å; L73-F78 PolarHBondContact O-N 3.19Å; L76-F78 HydrophobicContact CB-CD2 3.8Å; L76-F78 HydrophobicContact CB-CE2 3.85Å; F78-D80 VanDerWaalsContact C-OD1 3.3Å; F78-D80 WeakPolarHBondContact CA-OD1 3.18Å; F78-D80 PolarHBondContact O-N 2.75Å; F78-L81 HydrophobicContact CD1-CD1 3.98Å; F78-L81 PolarHBondContact O-N 3.35Å | ||
| 79 | K | 86.3 | Confident | 74 | Confident | 132 Ų | 132 | 97 Ų | 97 | 57% | 0.574 | 52% | 0.518 | S | S | * | . | G | 310 helix | trans | -59.3 | -41.1 | 179.7 | -70.4 | -177.4 | 177.8 | -178.9 | 0 | 111.4 | Q74 L81 M82 | Q74-K79 HydrophobicContact CB-CD 4.39Å; Q74-K79 HydrophobicContact CB-CG 3.66Å; Q74-K79 HydrophobicContact CG-CG 3.99Å; Q74-K79 VanDerWaalsContact O-CE 3.28Å; Q74-K79 WeakPolarHBondContact O-CE 3.49Å; K79-L81 PolarHBondContact O-N 2.95Å; K79-M82 PolarHBondContact O-N 3.07Å; K79-M82 VanDerWaalsContact O-N 3.14Å |
| 80 | D | 84 | Confident | 72.4 | Confident | 90 Ų | 90 | 97.2 Ų | 97.2 | 48% | 0.481 | 53% | 0.528 | S | S | . | . | G | 310 helix | trans | -58.2 | -24.3 | 177.8 | 55.8 | -49.7 | 0 | 0 | 0 | 114.6 | F78 | F78-D80 VanDerWaalsContact C-OD1 3.3Å; F78-D80 WeakPolarHBondContact CA-OD1 3.18Å; F78-D80 PolarHBondContact O-N 2.75Å |
| 81 | L | 80.4 | Confident | 70.7 | Confident | 58 Ų | 58 | 94 Ų | 94 | 30% | 0.304 | 53% | 0.534 | S | S | . | . | G | 310 helix | trans | -101.2 | 2.3 | -179.2 | -58.6 | -176 | 0 | 0 | 0 | 113.8 | R52 K56 F78 K79 | R52-L81 HydrophobicContact CB-CD1 4.02Å; K56-L81 HydrophobicContact CB-CD1 4.44Å; K56-L81 HydrophobicContact CD-CB 4.34Å; K56-L81 HydrophobicContact CD-CD1 4.23Å; F78-L81 HydrophobicContact CD1-CD1 3.98Å; F78-L81 PolarHBondContact O-N 3.35Å; K79-L81 PolarHBondContact O-N 2.95Å |
| 82 | M | 70.3 | Confident | 68.6 | Low | 86 Ų | 86 | 100.4 Ų | 100.4 | 42% | 0.424 | 56% | 0.561 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -101 | -26.1 | 176.9 | -66 | -118.2 | 80.4 | 0 | 0 | 112 | L73 Q74 K79 | L73-M82 HydrophobicContact CB-SD 4.13Å; L73-M82 HydrophobicContact CD1-CE 4.08Å; L73-M82 HydrophobicContact CD1-SD 4.01Å; Q74-M82 PolarHBondContact NE2-SD 2.97Å; K79-M82 PolarHBondContact O-N 3.07Å; K79-M82 VanDerWaalsContact O-N 3.14Å |
| 83 | D | 65.1 | Low | 67.3 | Low | 113 Ų | 113 | 106.8 Ų | 106.8 | 60% | 0.604 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -71 | 138 | 168.7 | -62.6 | -49.7 | 0 | 0 | 0 | 108.9 | ||
| 84 | P | 54.3 | Low | 66.3 | Low | 112 Ų | 112 | 111.4 Ų | 111.4 | 73% | 0.727 | 63% | 0.628 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 133.3 | 176.6 | 23.1 | -31.7 | 0 | 0 | 0 | 108.6 | ||
| 85 | P | 50.2 | Low | 65.2 | Low | 107 Ų | 107 | 113 Ų | 113 | 70% | 0.695 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 138.7 | -179.6 | 24.3 | -32.4 | 0 | 0 | 0 | 108.5 | S87 | P85-S87 PolarHBondContact O-N 3.34Š|
| 86 | P | 46.3 | Very low | 63.9 | Low | 120 Ų | 120 | 109.9 Ų | 109.9 | 78% | 0.779 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 116.7 | 152.5 | 27 | -28.6 | 0 | 0 | 0 | 105.1 | Q88 | P86-Q88 PolarHBondContact O-N 3.18Š|
| 87 | S | 46.3 | Very low | 62.6 | Low | 95 Ų | 95 | 113.6 Ų | 113.6 | 66% | 0.664 | 66% | 0.659 | S | S | * | * | trans | -20.5 | 117.2 | 169.5 | 42.9 | 0 | 0 | 0 | 0 | 112.5 | P85 E89 | P85-S87 PolarHBondContact O-N 3.34Å; S87-E89 PolarHBondContact O-N 3.22Å | ||
| 88 | Q | 50.5 | Low | 61.1 | Low | 196 Ų | 196 | 118.5 Ų | 118.5 | 92% | 0.916 | 68% | 0.677 | S | S | * | * | trans | -66.4 | 73.8 | 160.2 | -68.3 | -95.1 | -28.4 | 0 | 0 | 107.9 | P86 | P86-Q88 PolarHBondContact O-N 3.18Š| ||
| 89 | E | 48.8 | Very low | 59.2 | Low | 186 Ų | 186 | 125.7 Ų | 125.7 | 87% | 0.869 | 72% | 0.72 | S | S | * | * | trans | -88.3 | 103.1 | 156.8 | -81.3 | -153.6 | 152.3 | 0 | 0 | 107.3 | S87 | S87-E89 PolarHBondContact O-N 3.22Š| ||
| 90 | G | 50.4 | Low | 57.3 | Low | 75 Ų | 75 | 125.3 Ų | 125.3 | 77% | 0.773 | 73% | 0.73 | S | S | * | * | trans | -170 | 29.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 91 | S | 50.8 | Low | 55.3 | Low | 120 Ų | 120 | 128 Ų | 128 | 84% | 0.839 | 75% | 0.749 | S | S | * | * | trans | -147.2 | 89 | 160 | 54.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 92 | K | 42 | Very low | 53.2 | Low | 199 Ų | 199 | 133.8 Ų | 133.8 | 87% | 0.865 | 79% | 0.786 | S | S | * | * | trans | -140.3 | 129.8 | 154.8 | -157.4 | 170.1 | -179.1 | -178 | 0 | 107.4 | ||||
| 93 | P | 62.9 | Low | 51.6 | Low | 197 Ų | 197 | 138.2 Ų | 138.2 | 100% | 1.279 | 82% | 0.819 | S | S | * | * | trans | -61.4 | 0 | -173.9 | 26.5 | -36.5 | 0 | 0 | 0 | 113.2 |
Retrieved 93 of 93 residues in 176.6 ms
(Link to these results)