| 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 | 53.4 | Low | 53.7 | Low | 229 Ų | 229 | 166.3 Ų | 166.3 | 100% | 1.128 | 79% | 0.792 | S | S | * | * | 0 | -16.5 | 0 | -89.3 | -146 | -128.4 | 0 | 0 | 115.2 | |||||
| 2 | S | 61.5 | Low | 52.5 | Low | 105 Ų | 105 | 155.9 Ų | 155.9 | 73% | 0.734 | 76% | 0.762 | S | S | * | * | H | α-helix | trans | -74.3 | -32 | -173.8 | -157 | 0 | 0 | 0 | 0 | 114.6 | K5 R6 | S2-K5 PolarHBondContact O-N 3.24Å; S2-R6 PolarHBondContact O-N 3.35Å |
| 3 | E | 59 | Low | 51.7 | Low | 168 Ų | 168 | 154.5 Ų | 154.5 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | H | α-helix | trans | -77 | -34.4 | -174.2 | -63.9 | -173.3 | 133.8 | 0 | 0 | 114.2 | K5 R6 K7 | E3-K5 VanDerWaalsContact C-N 3.27Å; E3-K5 PolarHBondContact O-N 3.41Å; E3-R6 PolarHBondContact O-N 3.42Å; E3-K7 PolarHBondContact O-N 3.15Å; E3-K7 VanDerWaalsContact O-N 3.14Å |
| 4 | K | 56 | Low | 51.1 | Low | 177 Ų | 177 | 158.5 Ų | 158.5 | 77% | 0.77 | 78% | 0.778 | S | S | * | * | H | α-helix | trans | -64.8 | -32.1 | 175.3 | -82 | -175.1 | 174.6 | -178.8 | 0 | 112.1 | Q8 | K4-Q8 PolarHBondContact O-N 3.06Å |
| 5 | K | 52.8 | Low | 50.5 | Low | 157 Ų | 157 | 158.8 Ų | 158.8 | 68% | 0.683 | 78% | 0.783 | S | S | * | * | H | α-helix | trans | -73.3 | -29.3 | 176.4 | -132.5 | 175.2 | -176 | -179 | 0 | 112.4 | S2 E3 R9 | S2-K5 PolarHBondContact O-N 3.24Å; E3-K5 VanDerWaalsContact C-N 3.27Å; E3-K5 PolarHBondContact O-N 3.41Å; K5-R9 WeakPolarHBondContact O-CG 3.09Å; K5-R9 PolarHBondContact O-N 2.96Å |
| 6 | R | 55.3 | Low | 50.1 | Low | 208 Ų | 208 | 157.7 Ų | 157.7 | 79% | 0.785 | 78% | 0.781 | S | S | * | * | H | α-helix | trans | -76.6 | -34.8 | 176.2 | -151.2 | 176.4 | -176.3 | -177.5 | 1.1 | 112.2 | S2 E3 L10 | S2-R6 PolarHBondContact O-N 3.35Å; E3-R6 PolarHBondContact O-N 3.42Å; R6-L10 PolarHBondContact O-N 2.81Å |
| 7 | K | 50.1 | Low | 50.4 | Low | 168 Ų | 168 | 157.9 Ų | 157.9 | 73% | 0.73 | 78% | 0.78 | S | S | * | * | H | α-helix | trans | -70.6 | -34.7 | 172.8 | -87.9 | -175.6 | 173 | -177.4 | 0 | 113.4 | E3 L10 A11 | E3-K7 PolarHBondContact O-N 3.15Å; E3-K7 VanDerWaalsContact O-N 3.14Å; K7-L10 PolarHBondContact O-N 3.48Å; K7-A11 WeakPolarHBondContact O-CB 3.26Å; K7-A11 PolarHBondContact O-N 3.34Å |
| 8 | Q | 52.3 | Low | 51 | Low | 149 Ų | 149 | 154.8 Ų | 154.8 | 70% | 0.696 | 77% | 0.767 | S | S | * | * | H | α-helix | trans | -69.9 | -30.1 | 174.4 | -82.5 | 176.6 | -7.9 | 0 | 0 | 113.5 | K4 L10 A11 G12 | K4-Q8 PolarHBondContact O-N 3.06Å; Q8-L10 VanDerWaalsContact C-N 3.27Å; Q8-L10 PolarHBondContact O-N 2.77Å; Q8-A11 PolarHBondContact O-N 3.33Å; Q8-G12 PolarHBondContact O-N 3.28Å |
| 9 | R | 48.1 | Very low | 51.9 | Low | 218 Ų | 218 | 152.6 Ų | 152.6 | 82% | 0.823 | 77% | 0.765 | S | S | * | * | H | α-helix | trans | -73.8 | -16.4 | 172.2 | -66.7 | 179.5 | 90.1 | -178.5 | 7.1 | 113.7 | K5 | K5-R9 WeakPolarHBondContact O-CG 3.09Å; K5-R9 PolarHBondContact O-N 2.96Å |
| 10 | L | 51.1 | Low | 52.9 | Low | 161 Ų | 161 | 150.6 Ų | 150.6 | 84% | 0.843 | 76% | 0.756 | S | S | * | * | H | α-helix | trans | -92.1 | -17.4 | 174.5 | -135 | 78.6 | 0 | 0 | 0 | 112.6 | R6 K7 Q8 | R6-L10 PolarHBondContact O-N 2.81Å; K7-L10 PolarHBondContact O-N 3.48Å; Q8-L10 VanDerWaalsContact C-N 3.27Å; Q8-L10 PolarHBondContact O-N 2.77Å |
| 11 | A | 50.6 | Low | 54.4 | Low | 89 Ų | 89 | 150.9 Ų | 150.9 | 74% | 0.736 | 75% | 0.753 | S | S | * | * | H | α-helix | trans | -103.4 | -9.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | K7 Q8 | K7-A11 WeakPolarHBondContact O-CB 3.26Å; K7-A11 PolarHBondContact O-N 3.34Å; Q8-A11 PolarHBondContact O-N 3.33Å |
| 12 | G | 40 | Very low | 55.8 | Low | 42 Ų | 42 | 141.6 Ų | 141.6 | 43% | 0.433 | 71% | 0.71 | S | S | . | * | S | Bend | trans | -101.3 | 130.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q8 | Q8-G12 PolarHBondContact O-N 3.28Š|
| 13 | V | 42.2 | Very low | 57.2 | Low | 137 Ų | 137 | 138.8 Ų | 138.8 | 83% | 0.83 | 69% | 0.688 | S | S | * | * | trans | 83.8 | 67.1 | 163.1 | -157.6 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 14 | K | 42.8 | Very low | 58.6 | Low | 211 Ų | 211 | 136.9 Ų | 136.9 | 92% | 0.917 | 68% | 0.683 | S | S | * | * | trans | -119.6 | 65.4 | 147.8 | -84.4 | -170.8 | 178 | -177.2 | 0 | 108.4 | ||||
| 15 | L | 42.9 | Very low | 60.2 | Low | 163 Ų | 163 | 133.7 Ų | 133.7 | 85% | 0.853 | 67% | 0.67 | S | S | * | * | trans | -150.2 | 63 | 175.8 | -104.3 | 163.8 | 0 | 0 | 0 | 107.5 | ||||
| 16 | D | 43 | Very low | 62 | Low | 141 Ų | 141 | 127 Ų | 127 | 75% | 0.754 | 64% | 0.642 | S | S | * | * | trans | -149.5 | 64 | 155.7 | -141.1 | -0.4 | 0 | 0 | 0 | 105.5 | N18 | D16-N18 PolarHBondContact O-N 2.95Š| ||
| 17 | E | 55 | Low | 63.7 | Low | 161 Ų | 161 | 119.1 Ų | 119.1 | 75% | 0.752 | 61% | 0.614 | S | S | * | * | trans | -66.1 | 90.5 | 170.4 | -80.6 | -161.9 | 122.8 | 0 | 0 | 106.9 | P19 | E17-P19 WeakPolarHBondContact O-CD 3.34Š| ||
| 18 | N | 62.1 | Low | 65.6 | Low | 102 Ų | 102 | 115 Ų | 115 | 55% | 0.545 | 60% | 0.6 | S | S | . | * | trans | -46.8 | 116.6 | 165 | -76.9 | -77.5 | 0 | 0 | 0 | 106.6 | D16 L20 K21 | D16-N18 PolarHBondContact O-N 2.95Å; N18-L20 PolarHBondContact O-N 3.18Å; N18-K21 PolarHBondContact O-N 3.31Å | ||
| 19 | P | 67.2 | Low | 67.5 | Low | 114 Ų | 114 | 107.9 Ų | 107.9 | 74% | 0.74 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.3 | -12.3 | -170.5 | 22 | -33.6 | 0 | 0 | 0 | 113.2 | E17 | E17-P19 WeakPolarHBondContact O-CD 3.34Š|
| 20 | L | 73 | Confident | 69.6 | Low | 112 Ų | 112 | 97.5 Ų | 97.5 | 59% | 0.586 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | -15.8 | 176.3 | -71.1 | 144.1 | 0 | 0 | 0 | 113.9 | N18 | N18-L20 PolarHBondContact O-N 3.18Š|
| 21 | K | 83.8 | Confident | 71.4 | Confident | 156 Ų | 156 | 91.2 Ų | 91.2 | 68% | 0.678 | 50% | 0.495 | S | S | * | . | S | Bend | trans | -82.6 | 124.9 | -177.3 | -166.7 | 168.8 | -176.3 | 177.8 | 0 | 110.1 | N18 | N18-K21 PolarHBondContact O-N 3.31Š|
| 22 | P | 83.9 | Confident | 73.3 | Confident | 35 Ų | 35 | 89 Ų | 89 | 23% | 0.227 | 47% | 0.468 | C | S | . | . | P | Polyproline II helix | trans | -70.9 | 142.7 | 178.5 | 29 | -33.7 | 0 | 0 | 0 | 111.4 | E26 I27 K94 M96 | P22-E26 VanDerWaalsContact CA-OE2 3.25Å; P22-E26 WeakPolarHBondContact CA-OE2 3.44Å; P22-E26 HydrophobicContact CB-CB 4.37Å; P22-I27 HydrophobicContact CB-CD1 4.42Å; P22-I27 HydrophobicContact CB-CG1 3.88Å; P22-I27 HydrophobicContact CG-CD1 4.07Å; P22-I27 HydrophobicContact CG-CG1 3.83Å; P22-K94 HydrophobicContact CB-CD 4.23Å; P22-M96 HydrophobicContact CB-SD 4.28Å |
| 23 | T | 89.8 | Confident | 75.8 | Confident | 46 Ų | 46 | 87 Ų | 87 | 28% | 0.282 | 45% | 0.448 | S | S | . | . | P | Polyproline II helix | trans | -71.9 | 161.5 | 176.3 | 67.6 | 0 | 0 | 0 | 0 | 109.7 | E25 E26 I27 | T23-E25 PolarHBondContact O-N 2.73Å; T23-E26 PolarHBondContact N-OE2 3.19Å; T23-E26 PolarHBondContact O-N 2.96Å; T23-E26 WeakPolarHBondContact OG1-CB 3.22Å; T23-E26 VanDerWaalsContact OG1-CD 3.24Å; T23-E26 WeakPolarHBondContact OG1-CG 3.34Å; T23-E26 PolarHBondContact OG1-N 3.27Å; T23-E26 PolarHBondContact OG1-OE2 3.32Å; T23-I27 VanDerWaalsContact O-CG1 3.28Å; T23-I27 WeakPolarHBondContact O-CG1 3.19Å; T23-I27 PolarHBondContact O-N 3.37Å |
| 24 | L | 88.9 | Confident | 78.1 | Confident | 128 Ų | 128 | 82.3 Ų | 82.3 | 67% | 0.67 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -59.6 | -38.9 | 179.1 | -175.5 | 62.7 | 0 | 0 | 0 | 111.7 | I27 D28 | L24-I27 PolarHBondContact O-N 3.19Å; L24-D28 PolarHBondContact O-N 2.98Å |
| 25 | E | 89.1 | Confident | 80.2 | Confident | 109 Ų | 109 | 80.2 Ų | 80.2 | 51% | 0.509 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -64.9 | -42.5 | 177.3 | -61 | -175.6 | 171.2 | 0 | 0 | 111.9 | T23 I27 D28 V29 | T23-E25 PolarHBondContact O-N 2.73Å; E25-I27 VanDerWaalsContact C-N 3.35Å; E25-I27 PolarHBondContact O-N 3.26Å; E25-D28 PolarHBondContact O-N 3.2Å; E25-V29 VanDerWaalsContact O-CG2 3.3Å; E25-V29 WeakPolarHBondContact O-CG2 3.45Å; E25-V29 PolarHBondContact O-N 3.32Å |
| 26 | E | 91.2 | Very high | 82.5 | Confident | 17 Ų | 17 | 78.3 Ų | 78.3 | 8% | 0.079 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -64.5 | -39.5 | 176.1 | -73.7 | 166.1 | 175.4 | 0 | 0 | 112.7 | P22 T23 D28 V29 A30 F87 L91 K94 | P22-E26 VanDerWaalsContact CA-OE2 3.25Å; P22-E26 WeakPolarHBondContact CA-OE2 3.44Å; P22-E26 HydrophobicContact CB-CB 4.37Å; T23-E26 PolarHBondContact N-OE2 3.19Å; T23-E26 PolarHBondContact O-N 2.96Å; T23-E26 WeakPolarHBondContact OG1-CB 3.22Å; T23-E26 VanDerWaalsContact OG1-CD 3.24Å; T23-E26 WeakPolarHBondContact OG1-CG 3.34Å; T23-E26 PolarHBondContact OG1-N 3.27Å; T23-E26 PolarHBondContact OG1-OE2 3.32Å; E26-D28 VanDerWaalsContact C-N 3.34Å; E26-V29 PolarHBondContact O-N 3.01Å; E26-A30 VanDerWaalsContact O-CB 3.29Å; E26-A30 WeakPolarHBondContact O-CB 3.36Å; E26-A30 PolarHBondContact O-N 3.16Å; E26-F87 HydrophobicContact CB-CZ 4.4Å; E26-F87 HydrophobicContact CG-CE2 3.77Å; E26-F87 HydrophobicContact CG-CZ 3.95Å; E26-L91 HydrophobicContact CB-CD2 3.73Å; E26-L91 HydrophobicContact CG-CD2 3.97Å; E26-K94 IonicContact OE1-NZ 3.73Å; E26-K94 PolarHBondContact OE1-NZ 3.04Å; E26-K94 WeakPolarHBondContact OE2-CD 3.44Å; E26-K94 WeakPolarHBondContact OE2-CE 3.31Å; E26-K94 IonicContact OE2-NZ 3.8Å; E26-K94 PolarHBondContact OE2-NZ 2.88Å |
| 27 | I | 91.1 | Very high | 84.7 | Confident | 42 Ų | 42 | 72 Ų | 72 | 22% | 0.215 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -62.5 | -43.6 | 174.8 | -68.3 | 166.2 | 0 | 0 | 0 | 110.2 | P22 T23 L24 E25 A30 N31 Y202 | P22-I27 HydrophobicContact CB-CD1 4.42Å; P22-I27 HydrophobicContact CB-CG1 3.88Å; P22-I27 HydrophobicContact CG-CD1 4.07Å; P22-I27 HydrophobicContact CG-CG1 3.83Å; T23-I27 VanDerWaalsContact O-CG1 3.28Å; T23-I27 WeakPolarHBondContact O-CG1 3.19Å; T23-I27 PolarHBondContact O-N 3.37Å; L24-I27 PolarHBondContact O-N 3.19Å; E25-I27 VanDerWaalsContact C-N 3.35Å; E25-I27 PolarHBondContact O-N 3.26Å; I27-A30 PolarHBondContact O-N 3.13Å; I27-N31 WeakPolarHBondContact CG2-ND2 3.09Å; I27-N31 WeakPolarHBondContact O-CB 3.29Å; I27-N31 PolarHBondContact O-N 3.37Å; I27-N31 PolarHBondContact O-ND2 3.48Å; I27-N31 VanDerWaalsContact O-ND2 3.15Å; I27-Y202 WeakPolarHBondContact CG2-OH 3.49Å |
| 28 | D | 90.5 | Very high | 86.2 | Confident | 81 Ų | 81 | 67.2 Ų | 67.2 | 43% | 0.433 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63.6 | -42.4 | 178.3 | -75.8 | -15.2 | 0 | 0 | 0 | 111.9 | L24 E25 E26 N31 Y32 W66 | L24-D28 PolarHBondContact O-N 2.98Å; E25-D28 PolarHBondContact O-N 3.2Å; E26-D28 VanDerWaalsContact C-N 3.34Å; D28-N31 PolarHBondContact O-N 2.66Å; D28-Y32 WeakPolarHBondContact O-CB 3.45Å; D28-Y32 PolarHBondContact O-N 2.94Å; D28-W66 HydrophobicContact CB-CZ2 4.3Å |
| 29 | V | 91.2 | Very high | 87.3 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -64.9 | -43 | 174.6 | -178.7 | 0 | 0 | 0 | 0 | 111.3 | E25 E26 N31 Y32 L33 L61 W66 F78 F87 | E25-V29 VanDerWaalsContact O-CG2 3.3Å; E25-V29 WeakPolarHBondContact O-CG2 3.45Å; E25-V29 PolarHBondContact O-N 3.32Å; E26-V29 PolarHBondContact O-N 3.01Å; V29-N31 PolarHBondContact O-N 2.76Å; V29-Y32 WeakPolarHBondContact O-CB 3.04Å; V29-Y32 PolarHBondContact O-N 2.7Å; V29-L33 HydrophobicContact CG1-CD1 4.16Å; V29-L33 HydrophobicContact CG1-CG 4.47Å; V29-L33 WeakPolarHBondContact O-CG 3.45Å; V29-L33 PolarHBondContact O-N 3.29Å; V29-L61 HydrophobicContact CG1-CD2 3.38Å; V29-W66 VanDerWaalsContact CA-CH2 3.45Å; V29-W66 HydrophobicContact CB-CH2 4.07Å; V29-W66 HydrophobicContact CB-CZ2 4.35Å; V29-W66 HydrophobicContact CB-CZ3 4.15Å; V29-W66 HydrophobicContact CG1-CE3 4.33Å; V29-W66 HydrophobicContact CG1-CH2 4.5Å; V29-W66 HydrophobicContact CG1-CZ3 4.09Å; V29-W66 HydrophobicContact CG2-CD2 3.8Å; V29-W66 HydrophobicContact CG2-CE3 3.87Å; V29-W66 HydrophobicContact CG2-CH2 3.72Å; V29-W66 HydrophobicContact CG2-CZ2 3.56Å; V29-W66 HydrophobicContact CG2-CZ3 3.85Å; V29-F78 HydrophobicContact CG1-CE2 4.5Å; V29-F78 HydrophobicContact CG1-CZ 4.42Å; V29-F87 HydrophobicContact CB-CE1 3.84Å; V29-F87 HydrophobicContact CB-CZ 3.79Å; V29-F87 HydrophobicContact CG1-CD1 4.45Å; V29-F87 HydrophobicContact CG1-CE1 3.45Å; V29-F87 VanDerWaalsContact CG1-CE1 3.45Å; V29-F87 HydrophobicContact CG1-CZ 3.94Å; V29-F87 HydrophobicContact CG2-CE1 4.22Å; V29-F87 HydrophobicContact CG2-CZ 3.86Å |
| 30 | A | 91.5 | Very high | 88.2 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.9 | -40.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | E26 I27 Y32 L33 H34 M96 Y202 | E26-A30 VanDerWaalsContact O-CB 3.29Å; E26-A30 WeakPolarHBondContact O-CB 3.36Å; E26-A30 PolarHBondContact O-N 3.16Å; I27-A30 PolarHBondContact O-N 3.13Å; A30-Y32 VanDerWaalsContact C-N 3.31Å; A30-Y32 PolarHBondContact O-N 3.17Å; A30-L33 PolarHBondContact O-N 3.14Å; A30-H34 WeakPolarHBondContact O-CB 3.45Å; A30-H34 PolarHBondContact O-N 3.48Å; A30-M96 HydrophobicContact CB-CE 3.25Å; A30-M96 HydrophobicContact CB-SD 3.83Å; A30-Y202 HydrophobicContact CB-CD1 4.38Å; A30-Y202 HydrophobicContact CB-CE1 4.49Å |
| 31 | N | 90.4 | Very high | 89 | Confident | 29 Ų | 29 | 61.8 Ų | 61.8 | 16% | 0.155 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.6 | -41 | 173.7 | -78 | -34.3 | 0 | 0 | 0 | 111.7 | I27 D28 V29 K35 Y202 P204 | I27-N31 WeakPolarHBondContact CG2-ND2 3.09Å; I27-N31 WeakPolarHBondContact O-CB 3.29Å; I27-N31 PolarHBondContact O-N 3.37Å; I27-N31 PolarHBondContact O-ND2 3.48Å; I27-N31 VanDerWaalsContact O-ND2 3.15Å; D28-N31 PolarHBondContact O-N 2.66Å; V29-N31 PolarHBondContact O-N 2.76Å; N31-K35 WeakPolarHBondContact O-CG 2.89Å; N31-K35 PolarHBondContact O-N 3.14Å; N31-Y202 WeakPolarHBondContact OD1-CE1 3.37Å; N31-Y202 PolarHBondContact OD1-OH 2.82Å; N31-P204 WeakPolarHBondContact OD1-CB 3.34Å |
| 32 | Y | 90.8 | Very high | 89.2 | Confident | 43 Ų | 43 | 54.4 Ų | 54.4 | 17% | 0.169 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.5 | -46.5 | 175.8 | 178.7 | -94.5 | 0 | 0 | 0 | 111.8 | D28 V29 A30 K35 K36 L60 W66 | D28-Y32 WeakPolarHBondContact O-CB 3.45Å; D28-Y32 PolarHBondContact O-N 2.94Å; V29-Y32 WeakPolarHBondContact O-CB 3.04Å; V29-Y32 PolarHBondContact O-N 2.7Å; A30-Y32 VanDerWaalsContact C-N 3.31Å; A30-Y32 PolarHBondContact O-N 3.17Å; Y32-K35 PolarHBondContact O-N 3.16Å; Y32-K36 HydrophobicContact CD2-CD 4.24Å; Y32-K36 HydrophobicContact CE1-CD 4.14Å; Y32-K36 HydrophobicContact CE2-CD 3.56Å; Y32-K36 HydrophobicContact CE2-CG 4.43Å; Y32-K36 VanDerWaalsContact CE2-NZ 3.29Å; Y32-K36 VanDerWaalsContact CZ-CD 3.48Å; Y32-K36 PolarHBondContact O-N 3.25Å; Y32-K36 VanDerWaalsContact O-N 3.08Å; Y32-K36 WeakPolarHBondContact OH-CD 3.28Å; Y32-K36 PolarHBondContact OH-NZ 3.34Å; Y32-L60 HydrophobicContact CE1-CD2 4.19Å; Y32-L60 HydrophobicContact CE1-CG 4.02Å; Y32-W66 HydrophobicContact CD1-CH2 4.46Å; Y32-W66 AromaticContact CD1-CZ3 3.69Å; Y32-W66 HydrophobicContact CD1-CZ3 3.69Å; Y32-W66 HydrophobicContact CD2-CH2 4.44Å; Y32-W66 HydrophobicContact CD2-CZ3 4.24Å; Y32-W66 HydrophobicContact CE1-CZ3 4.34Å; Y32-W66 AromaticContact CG-CH2 3.97Å; Y32-W66 HydrophobicContact CG-CH2 3.97Å; Y32-W66 AromaticContact CG-CZ3 3.63Å; Y32-W66 HydrophobicContact CG-CZ3 3.63Å |
| 33 | L | 92 | Very high | 89.4 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59 | -48.9 | 175.9 | -74.1 | 169.4 | 0 | 0 | 0 | 111.2 | V29 A30 K35 K36 L37 A57 L60 L61 M88 L91 W200 | V29-L33 HydrophobicContact CG1-CD1 4.16Å; V29-L33 HydrophobicContact CG1-CG 4.47Å; V29-L33 WeakPolarHBondContact O-CG 3.45Å; V29-L33 PolarHBondContact O-N 3.29Å; A30-L33 PolarHBondContact O-N 3.14Å; L33-K35 VanDerWaalsContact C-N 3.27Å; L33-K35 PolarHBondContact O-N 3.06Å; L33-K36 PolarHBondContact O-N 3.5Å; L33-L37 HydrophobicContact CB-CD1 3.8Å; L33-L37 HydrophobicContact CD2-CD1 3.67Å; L33-L37 HydrophobicContact CD2-CG 4.24Å; L33-L37 HydrophobicContact CG-CD1 4.32Å; L33-L37 WeakPolarHBondContact O-CB 3.24Å; L33-L37 WeakPolarHBondContact O-CD1 3.43Å; L33-L37 VanDerWaalsContact O-CG 3.31Å; L33-L37 WeakPolarHBondContact O-CG 3.45Å; L33-L37 PolarHBondContact O-N 2.89Å; L33-A57 HydrophobicContact CD2-CB 4.41Å; L33-L60 HydrophobicContact CD2-CD2 4.1Å; L33-L61 HydrophobicContact CD1-CD2 4.13Å; L33-L61 HydrophobicContact CD2-CD2 3.92Å; L33-L61 HydrophobicContact CD2-CG 3.99Å; L33-L61 HydrophobicContact CG-CD2 4.13Å; L33-M88 HydrophobicContact CD1-SD 3.95Å; L33-L91 HydrophobicContact CD1-CD1 4.22Å; L33-W200 HydrophobicContact CB-CH2 3.77Å; L33-W200 HydrophobicContact CB-CZ2 4.08Å; L33-W200 HydrophobicContact CD1-CH2 4.42Å |
| 34 | H | 89.5 | Confident | 89.3 | Confident | 39 Ų | 39 | 56.9 Ų | 56.9 | 18% | 0.181 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.1 | -34 | -179 | -173.2 | -81.5 | 0 | 0 | 0 | 112.9 | A30 | A30-H34 WeakPolarHBondContact O-CB 3.45Å; A30-H34 PolarHBondContact O-N 3.48Å |
| 35 | K | 88 | Confident | 89.1 | Confident | 166 Ų | 166 | 56.1 Ų | 56.1 | 72% | 0.722 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -80.7 | -36.7 | -179.3 | -73.4 | 176.2 | -177.8 | 176.6 | 0 | 113.7 | N31 Y32 L33 | N31-K35 WeakPolarHBondContact O-CG 2.89Å; N31-K35 PolarHBondContact O-N 3.14Å; Y32-K35 PolarHBondContact O-N 3.16Å; L33-K35 VanDerWaalsContact C-N 3.27Å; L33-K35 PolarHBondContact O-N 3.06Å |
| 36 | K | 90.6 | Very high | 88.9 | Confident | 123 Ų | 123 | 53 Ų | 53 | 54% | 0.535 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -101.6 | -21.8 | -170.9 | -72 | -160.9 | -174.4 | -173.1 | 0 | 114.5 | Y32 L33 L60 | Y32-K36 HydrophobicContact CD2-CD 4.24Å; Y32-K36 HydrophobicContact CE1-CD 4.14Å; Y32-K36 HydrophobicContact CE2-CD 3.56Å; Y32-K36 HydrophobicContact CE2-CG 4.43Å; Y32-K36 VanDerWaalsContact CE2-NZ 3.29Å; Y32-K36 VanDerWaalsContact CZ-CD 3.48Å; Y32-K36 PolarHBondContact O-N 3.25Å; Y32-K36 VanDerWaalsContact O-N 3.08Å; Y32-K36 WeakPolarHBondContact OH-CD 3.28Å; Y32-K36 PolarHBondContact OH-NZ 3.34Å; L33-K36 PolarHBondContact O-N 3.5Å; K36-L60 HydrophobicContact CB-CD1 4.29Å; K36-L60 HydrophobicContact CB-CD2 3.68Å |
| 37 | L | 89.3 | Confident | 88.7 | Confident | 9 Ų | 9 | 58.7 Ų | 58.7 | 5% | 0.047 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -69.9 | 139.2 | 179.1 | -76.4 | 165.4 | 0 | 0 | 0 | 111.6 | L33 S39 F52 E56 A57 L60 W200 | L33-L37 HydrophobicContact CB-CD1 3.8Å; L33-L37 HydrophobicContact CD2-CD1 3.67Å; L33-L37 HydrophobicContact CD2-CG 4.24Å; L33-L37 HydrophobicContact CG-CD1 4.32Å; L33-L37 WeakPolarHBondContact O-CB 3.24Å; L33-L37 WeakPolarHBondContact O-CD1 3.43Å; L33-L37 VanDerWaalsContact O-CG 3.31Å; L33-L37 WeakPolarHBondContact O-CG 3.45Å; L33-L37 PolarHBondContact O-N 2.89Å; L37-S39 PolarHBondContact O-N 3.01Å; L37-F52 HydrophobicContact CD1-CD2 4.29Å; L37-E56 HydrophobicContact CD2-CB 4.21Å; L37-A57 HydrophobicContact CD1-CB 3.97Å; L37-A57 HydrophobicContact CD2-CB 4.27Å; L37-L60 HydrophobicContact CD2-CB 4.15Å; L37-L60 HydrophobicContact CD2-CD2 3.76Å; L37-L60 HydrophobicContact CG-CD2 3.65Å; L37-W200 HydrophobicContact CD1-CZ2 3.76Å |
| 38 | P | 86.8 | Confident | 88.7 | Confident | 60 Ų | 60 | 62.1 Ų | 62.1 | 39% | 0.39 | 32% | 0.321 | S | S | . | . | trans | -66.5 | 101.2 | 170.4 | 29.7 | -33.2 | 0 | 0 | 0 | 108.6 | E56 | P38-E56 VanDerWaalsContact CG-OE2 3.28Å; P38-E56 WeakPolarHBondContact CG-OE2 3.46Å | ||
| 39 | S | 85.8 | Confident | 88.7 | Confident | 43 Ų | 43 | 59.5 Ų | 59.5 | 30% | 0.301 | 31% | 0.307 | S | S | . | . | trans | -90.8 | 139.5 | 176 | 55.9 | 0 | 0 | 0 | 0 | 111.1 | L37 R50 I51 | L37-S39 PolarHBondContact O-N 3.01Å; S39-R50 PolarHBondContact OG-NH1 3.05Å; S39-I51 WeakPolarHBondContact CA-O 3.34Å | ||
| 40 | K | 86 | Confident | 88.7 | Confident | 53 Ų | 53 | 65.2 Ų | 65.2 | 23% | 0.23 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 152.5 | 167.5 | -81 | -172.3 | -176.7 | 144 | 0 | 111.4 | R50 I51 E168 F169 | K40-R50 CarbonylContact O-C 3.56Å; K40-R50 WeakPolarHBondContact O-CA 3.23Å; K40-I51 PolarHBondContact N-O 2.93Å; K40-I51 PolarHBondContact O-N 3.45Å; K40-E168 WeakPolarHBondContact CE-O 3.34Å; K40-E168 PolarHBondContact NZ-O 3.34Å; K40-F169 HydrophobicContact CB-CE1 4.05Å; K40-F169 HydrophobicContact CB-CZ 4.18Å; K40-F169 HydrophobicContact CD-CD1 4.16Å; K40-F169 HydrophobicContact CD-CD2 4.25Å; K40-F169 HydrophobicContact CD-CE1 3.93Å; K40-F169 HydrophobicContact CD-CE2 3.97Å; K40-F169 HydrophobicContact CD-CG 4.31Å; K40-F169 HydrophobicContact CD-CZ 3.83Å; K40-F169 VanDerWaalsContact CE-CA 3.47Å; K40-F169 HydrophobicContact CG-CD1 4.03Å; K40-F169 HydrophobicContact CG-CE1 3.75Å; K40-F169 HydrophobicContact CG-CZ 4.09Å; K40-F169 VanDerWaalsContact NZ-CG 3.34Å |
| 41 | E | 89.1 | Confident | 88.7 | Confident | 119 Ų | 119 | 65.4 Ų | 65.4 | 56% | 0.556 | 33% | 0.33 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 131.6 | 168.8 | -65.3 | 178.6 | -169.6 | 0 | 0 | 110.6 | I48 V49 | E41-I48 HydrophobicContact CB-CG2 4.09Å; E41-I48 HydrophobicContact CG-CG2 4.24Å; E41-V49 WeakPolarHBondContact CA-O 3.28Å |
| 42 | G | 87.7 | Confident | 88.8 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 177.4 | 164.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | I48 V49 I51 M179 | G42-I48 CarbonylContact O-C 3.55Å; G42-I48 WeakPolarHBondContact O-CA 3.38Å; G42-V49 PolarHBondContact N-O 3.19Å; G42-V49 PolarHBondContact O-N 3.45Å; G42-I51 VanDerWaalsContact N-CD1 3.35Å; G42-M179 CarbonylContact C-O 3.56Å; G42-M179 WeakPolarHBondContact CA-O 3.46Å |
| 43 | R | 88.1 | Confident | 88.9 | Confident | 114 Ų | 114 | 63.2 Ų | 63.2 | 43% | 0.43 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 109.9 | -171.4 | -163.6 | 175.5 | -171.6 | -174.5 | -3 | 109.1 | G46 M47 P178 M179 R180 L181 | R43-G46 PolarHBondContact NE-O 3.26Å; R43-M47 CarbonylContact C-O 3.59Å; R43-M47 VanDerWaalsContact CA-O 3.3Å; R43-M47 WeakPolarHBondContact CA-O 3.38Å; R43-P178 HydrophobicContact CB-CB 4.33Å; R43-P178 HydrophobicContact CB-CG 4.42Å; R43-M179 PolarHBondContact N-O 3.29Å; R43-R180 WeakPolarHBondContact O-CA 3.42Å; R43-L181 PolarHBondContact O-N 3.39Å |
| 44 | L | 87.5 | Confident | 88.9 | Confident | 19 Ų | 19 | 63.4 Ų | 63.4 | 10% | 0.099 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 121.3 | 176.6 | -173.5 | 66.5 | 0 | 0 | 0 | 108.2 | G46 M47 V49 L181 I183 V199 | L44-G46 PolarHBondContact O-N 3.39Å; L44-M47 PolarHBondContact N-O 3.01Å; L44-M47 PolarHBondContact O-N 3.45Å; L44-V49 HydrophobicContact CB-CG1 4.21Å; L44-V49 HydrophobicContact CB-CG2 3.74Å; L44-L181 HydrophobicContact CD1-CB 4.04Å; L44-L181 WeakPolarHBondContact CD1-O 3.12Å; L44-I183 HydrophobicContact CD1-CD1 4.49Å; L44-I183 HydrophobicContact CD1-CG1 3.69Å; L44-I183 HydrophobicContact CD2-CD1 4.18Å; L44-I183 HydrophobicContact CD2-CG1 4.01Å; L44-I183 HydrophobicContact CG-CG1 4.22Å; L44-V199 HydrophobicContact CD2-CG1 4.25Å; L44-V199 HydrophobicContact CD2-CG2 4.34Å |
| 45 | S | 85.4 | Confident | 88.9 | Confident | 112 Ų | 112 | 66.4 Ų | 66.4 | 78% | 0.783 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.9 | 27 | 178.8 | -56 | 0 | 0 | 0 | 0 | 115.4 | ||
| 46 | G | 83.8 | Confident | 89.1 | Confident | 43 Ų | 43 | 60.3 Ų | 60.3 | 44% | 0.443 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.2 | -22.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115 | R43 L44 | R43-G46 PolarHBondContact NE-O 3.26Å; L44-G46 PolarHBondContact O-N 3.39Å |
| 47 | M | 88.1 | Confident | 89.2 | Confident | 138 Ų | 138 | 54.4 Ų | 54.4 | 68% | 0.68 | 29% | 0.288 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 146.3 | 176 | -62.5 | 177 | 67.2 | 0 | 0 | 111.3 | R43 L44 V49 | R43-M47 CarbonylContact C-O 3.59Å; R43-M47 VanDerWaalsContact CA-O 3.3Å; R43-M47 WeakPolarHBondContact CA-O 3.38Å; L44-M47 PolarHBondContact N-O 3.01Å; L44-M47 PolarHBondContact O-N 3.45Å; M47-V49 HydrophobicContact CB-CG1 4.39Å |
| 48 | I | 90.1 | Very high | 89.3 | Confident | 114 Ų | 114 | 54.1 Ų | 54.1 | 59% | 0.585 | 29% | 0.286 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 123.4 | 171.7 | -59.9 | 171.3 | 0 | 0 | 0 | 107.3 | E41 G42 | E41-I48 HydrophobicContact CB-CG2 4.09Å; E41-I48 HydrophobicContact CG-CG2 4.24Å; G42-I48 CarbonylContact O-C 3.55Å; G42-I48 WeakPolarHBondContact O-CA 3.38Å |
| 49 | V | 91.1 | Very high | 89.5 | Confident | 25 Ų | 25 | 57 Ų | 57 | 15% | 0.152 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 152.1 | -175.8 | -61.6 | 0 | 0 | 0 | 0 | 110.8 | E41 G42 L44 M47 I51 V199 | E41-V49 WeakPolarHBondContact CA-O 3.28Å; G42-V49 PolarHBondContact N-O 3.19Å; G42-V49 PolarHBondContact O-N 3.45Å; L44-V49 HydrophobicContact CB-CG1 4.21Å; L44-V49 HydrophobicContact CB-CG2 3.74Å; M47-V49 HydrophobicContact CB-CG1 4.39Å; V49-I51 HydrophobicContact CG2-CG1 4.27Å; V49-V199 HydrophobicContact CB-CG1 3.62Å; V49-V199 HydrophobicContact CG1-CG1 4.14Å; V49-V199 HydrophobicContact CG2-CG1 3.58Å; V49-V199 HydrophobicContact CG2-CG2 4.17Å |
| 50 | R | 91.3 | Very high | 89.8 | Confident | 120 Ų | 120 | 56.5 Ų | 56.5 | 45% | 0.453 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 133.8 | 175.9 | -68.5 | -178.3 | -177.7 | -86.5 | -6 | 110.6 | S39 K40 W200 | S39-R50 PolarHBondContact OG-NH1 3.05Å; K40-R50 CarbonylContact O-C 3.56Å; K40-R50 WeakPolarHBondContact O-CA 3.23Å; R50-W200 HydrophobicContact CB-CB 4.48Å; R50-W200 PolarHBondContact O-N 3.45Å |
| 51 | I | 91.9 | Very high | 90 | Very high | 5 Ų | 5 | 54 Ų | 54 | 3% | 0.026 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 142.9 | -171.2 | -59.1 | 155.1 | 0 | 0 | 0 | 109.9 | S39 K40 G42 V49 F169 L181 F197 Y198 V199 | S39-I51 WeakPolarHBondContact CA-O 3.34Å; K40-I51 PolarHBondContact N-O 2.93Å; K40-I51 PolarHBondContact O-N 3.45Å; G42-I51 VanDerWaalsContact N-CD1 3.35Å; V49-I51 HydrophobicContact CG2-CG1 4.27Å; I51-F169 HydrophobicContact CG2-CZ 4.49Å; I51-L181 HydrophobicContact CD1-CD1 3.21Å; I51-L181 HydrophobicContact CD1-CD2 3.85Å; I51-L181 HydrophobicContact CD1-CG 4.14Å; I51-L181 HydrophobicContact CG1-CD1 4.21Å; I51-L181 HydrophobicContact CG1-CD2 4.35Å; I51-L181 HydrophobicContact CG2-CD2 4.46Å; I51-F197 HydrophobicContact CG2-CB 3.35Å; I51-F197 HydrophobicContact CG2-CD1 4.15Å; I51-F197 HydrophobicContact CG2-CG 3.97Å; I51-Y198 CarbonylContact C-O 3.56Å; I51-Y198 VanDerWaalsContact CA-O 3.27Å; I51-Y198 WeakPolarHBondContact CA-O 3.25Å; I51-V199 HydrophobicContact CG1-CG2 4.11Å |
| 52 | F | 92.8 | Very high | 90 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 166 | 175.6 | 69.2 | -83.4 | 0 | 0 | 0 | 111.8 | L37 A57 M88 F97 Y198 W200 | L37-F52 HydrophobicContact CD1-CD2 4.29Å; F52-A57 HydrophobicContact CD2-CB 4.01Å; F52-A57 HydrophobicContact CE2-CB 3.96Å; F52-M88 HydrophobicContact CE2-CE 4.07Å; F52-M88 HydrophobicContact CZ-CE 4.41Å; F52-F97 HydrophobicContact CE1-CB 3.84Å; F52-F97 HydrophobicContact CE1-CD1 4.48Å; F52-F97 HydrophobicContact CE1-CG 4.06Å; F52-F97 HydrophobicContact CZ-CB 4.02Å; F52-F97 AromaticContact CZ-CD1 3.97Å; F52-F97 HydrophobicContact CZ-CD1 3.97Å; F52-F97 AromaticContact CZ-CD2 3.89Å; F52-F97 HydrophobicContact CZ-CD2 3.89Å; F52-F97 HydrophobicContact CZ-CE1 4.41Å; F52-F97 HydrophobicContact CZ-CE2 4.31Å; F52-F97 AromaticContact CZ-CG 3.7Å; F52-F97 HydrophobicContact CZ-CG 3.7Å; F52-Y198 WeakPolarHBondContact CD1-O 3.46Å; F52-Y198 HydrophobicContact CE2-CD2 4.48Å; F52-Y198 HydrophobicContact CE2-CG 4.23Å; F52-Y198 HydrophobicContact CZ-CG 4.11Å; F52-Y198 PolarHBondContact N-O 2.84Å; F52-Y198 PolarHBondContact O-N 2.76Å; F52-W200 AromaticContact CD1-CD1 3.57Å; F52-W200 AromaticContact CD1-CD2 3.97Å; F52-W200 HydrophobicContact CD1-CD2 3.97Å; F52-W200 AromaticContact CD1-CE2 3.34Å; F52-W200 HydrophobicContact CD1-CG 4.08Å; F52-W200 AromaticContact CD1-CZ2 3.76Å; F52-W200 HydrophobicContact CD1-CZ2 3.76Å; F52-W200 AromaticContact CD1-NE1 3.1Å; F52-W200 AromaticContact CE1-CD2 3.74Å; F52-W200 HydrophobicContact CE1-CD2 3.74Å; F52-W200 AromaticContact CE1-CE2 3.4Å; F52-W200 VanDerWaalsContact CE1-CE2 3.4Å; F52-W200 HydrophobicContact CE1-CE3 4.26Å; F52-W200 HydrophobicContact CE1-CG 4.14Å; F52-W200 HydrophobicContact CE1-CH2 4.15Å; F52-W200 AromaticContact CE1-CZ2 3.61Å; F52-W200 HydrophobicContact CE1-CZ2 3.61Å; F52-W200 HydrophobicContact CE1-CZ3 4.45Å; F52-W200 AromaticContact CE1-NE1 3.68Å; F52-W200 HydrophobicContact CE2-CZ2 4.43Å; F52-W200 HydrophobicContact CG-CZ2 4.2Å; F52-W200 AromaticContact CG-NE1 3.77Å; F52-W200 HydrophobicContact CZ-CH2 4.24Å; F52-W200 AromaticContact CZ-CZ2 3.96Å; F52-W200 HydrophobicContact CZ-CZ2 3.96Å |
| 53 | V | 92.1 | Very high | 90 | Very high | 26 Ų | 26 | 56 Ų | 56 | 16% | 0.158 | 29% | 0.29 | C | S | . | . | trans | -101.5 | 139.2 | 175.9 | -177.3 | 0 | 0 | 0 | 0 | 109.6 | M55 E56 A57 F169 F197 | V53-M55 HydrophobicContact CG1-CB 4.36Å; V53-M55 PolarHBondContact O-N 3.42Å; V53-E56 HydrophobicContact CB-CG 4.25Å; V53-E56 PolarHBondContact O-N 2.82Å; V53-A57 PolarHBondContact O-N 3.44Å; V53-F169 HydrophobicContact CG2-CD1 4.36Å; V53-F169 HydrophobicContact CG2-CD2 3.62Å; V53-F169 HydrophobicContact CG2-CE1 4.15Å; V53-F169 HydrophobicContact CG2-CE2 3.42Å; V53-F169 VanDerWaalsContact CG2-CE2 3.42Å; V53-F169 HydrophobicContact CG2-CG 4.13Å; V53-F169 HydrophobicContact CG2-CZ 3.7Å; V53-F197 HydrophobicContact CG2-CD1 4.1Å; V53-F197 HydrophobicContact CG2-CE1 4.15Å | ||
| 54 | A | 92.1 | Very high | 90 | Very high | 4 Ų | 4 | 50.6 Ų | 50.6 | 3% | 0.033 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.1 | -41 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | E56 A57 V58 F189 L191 Y198 | A54-E56 PolarHBondContact O-N 3.37Å; A54-A57 WeakPolarHBondContact O-CB 3.43Å; A54-A57 PolarHBondContact O-N 3.39Å; A54-V58 WeakPolarHBondContact O-CG2 3.1Å; A54-V58 PolarHBondContact O-N 2.96Å; A54-F189 HydrophobicContact CB-CE2 3.79Å; A54-F189 HydrophobicContact CB-CZ 3.77Å; A54-L191 HydrophobicContact CB-CD1 3.98Å; A54-Y198 HydrophobicContact CB-CD2 3.88Å; A54-Y198 HydrophobicContact CB-CE2 3.54Å |
| 55 | M | 90.2 | Very high | 89.8 | Confident | 101 Ų | 101 | 55 Ų | 55 | 50% | 0.498 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -57.3 | -48.1 | 179.1 | -70.9 | -67.7 | -71.3 | 0 | 0 | 112 | V53 A57 V58 E59 L191 | V53-M55 HydrophobicContact CG1-CB 4.36Å; V53-M55 PolarHBondContact O-N 3.42Å; M55-A57 VanDerWaalsContact C-N 3.29Å; M55-A57 PolarHBondContact O-N 3.21Å; M55-V58 PolarHBondContact O-N 2.81Å; M55-E59 WeakPolarHBondContact O-CB 3.31Å; M55-E59 PolarHBondContact O-N 2.74Å; M55-L191 HydrophobicContact CG-CD1 3.96Å; M55-L191 HydrophobicContact CG-CG 4.45Å; M55-L191 HydrophobicContact SD-CD1 3.34Å; M55-L191 WeakPolarHBondContact SD-CD1 3.49Å; M55-L191 HydrophobicContact SD-CD2 3.88Å; M55-L191 HydrophobicContact SD-CG 3.36Å; M55-L191 WeakPolarHBondContact SD-CG 3.27Å |
| 56 | E | 90.6 | Very high | 89.8 | Confident | 38 Ų | 38 | 51.2 Ų | 51.2 | 18% | 0.178 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.8 | -36 | 179 | -63.6 | 175 | 170.4 | 0 | 0 | 111.6 | L37 P38 V53 A54 L60 | L37-E56 HydrophobicContact CD2-CB 4.21Å; P38-E56 VanDerWaalsContact CG-OE2 3.28Å; P38-E56 WeakPolarHBondContact CG-OE2 3.46Å; V53-E56 HydrophobicContact CB-CG 4.25Å; V53-E56 PolarHBondContact O-N 2.82Å; A54-E56 PolarHBondContact O-N 3.37Å; E56-L60 VanDerWaalsContact O-CB 3.27Å; E56-L60 WeakPolarHBondContact O-CB 3.29Å; E56-L60 PolarHBondContact O-N 3.25Å |
| 57 | A | 92.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.8 | -46.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L33 L37 F52 V53 A54 M55 L60 L61 M88 | L33-A57 HydrophobicContact CD2-CB 4.41Å; L37-A57 HydrophobicContact CD1-CB 3.97Å; L37-A57 HydrophobicContact CD2-CB 4.27Å; F52-A57 HydrophobicContact CD2-CB 4.01Å; F52-A57 HydrophobicContact CE2-CB 3.96Å; V53-A57 PolarHBondContact O-N 3.44Å; A54-A57 WeakPolarHBondContact O-CB 3.43Å; A54-A57 PolarHBondContact O-N 3.39Å; M55-A57 VanDerWaalsContact C-N 3.29Å; M55-A57 PolarHBondContact O-N 3.21Å; A57-L60 PolarHBondContact O-N 3.22Å; A57-L61 WeakPolarHBondContact O-CG 3.5Å; A57-L61 PolarHBondContact O-N 2.98Å; A57-M88 HydrophobicContact CB-CE 3.82Å |
| 58 | V | 92.3 | Very high | 89.1 | Confident | 2 Ų | 2 | 52.1 Ų | 52.1 | 1% | 0.012 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66.1 | -42.2 | 179.1 | 175.3 | 0 | 0 | 0 | 0 | 111.2 | A54 M55 L60 L61 M62 Q81 A84 V85 M88 F189 L191 | A54-V58 WeakPolarHBondContact O-CG2 3.1Å; A54-V58 PolarHBondContact O-N 2.96Å; M55-V58 PolarHBondContact O-N 2.81Å; V58-L60 VanDerWaalsContact C-N 3.35Å; V58-L60 PolarHBondContact O-N 3.06Å; V58-L61 PolarHBondContact O-N 2.93Å; V58-M62 WeakPolarHBondContact O-CG 3.4Å; V58-M62 PolarHBondContact O-N 3.42Å; V58-Q81 HydrophobicContact CG1-CG 3.61Å; V58-A84 HydrophobicContact CG1-CB 4.1Å; V58-V85 HydrophobicContact CG1-CG2 4.37Å; V58-V85 HydrophobicContact CG2-CG2 4.11Å; V58-M88 HydrophobicContact CG2-CG 4.42Å; V58-F189 HydrophobicContact CG2-CE1 4.42Å; V58-F189 HydrophobicContact CG2-CZ 4.17Å; V58-L191 HydrophobicContact CG2-CD1 3.99Å |
| 59 | E | 91.5 | Very high | 87.8 | Confident | 120 Ų | 120 | 48.4 Ų | 48.4 | 56% | 0.561 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -62.4 | -41.5 | 176.2 | -175 | 177.3 | -178.1 | 0 | 0 | 111.9 | M55 L61 M62 N63 | M55-E59 WeakPolarHBondContact O-CB 3.31Å; M55-E59 PolarHBondContact O-N 2.74Å; E59-L61 VanDerWaalsContact C-N 3.32Å; E59-L61 PolarHBondContact O-N 3.07Å; E59-M62 PolarHBondContact O-N 2.91Å; E59-N63 PolarHBondContact O-N 3.26Å; E59-N63 PolarHBondContact O-ND2 3.01Å; E59-N63 VanDerWaalsContact O-ND2 3.16Å |
| 60 | L | 91 | Very high | 86.3 | Confident | 34 Ų | 34 | 54.6 Ų | 54.6 | 18% | 0.178 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -66 | -34.6 | 177.1 | -171.4 | 71.9 | 0 | 0 | 0 | 112.2 | Y32 L33 K36 L37 E56 A57 V58 N63 S64 | Y32-L60 HydrophobicContact CE1-CD2 4.19Å; Y32-L60 HydrophobicContact CE1-CG 4.02Å; L33-L60 HydrophobicContact CD2-CD2 4.1Å; K36-L60 HydrophobicContact CB-CD1 4.29Å; K36-L60 HydrophobicContact CB-CD2 3.68Å; L37-L60 HydrophobicContact CD2-CB 4.15Å; L37-L60 HydrophobicContact CD2-CD2 3.76Å; L37-L60 HydrophobicContact CG-CD2 3.65Å; E56-L60 VanDerWaalsContact O-CB 3.27Å; E56-L60 WeakPolarHBondContact O-CB 3.29Å; E56-L60 PolarHBondContact O-N 3.25Å; A57-L60 PolarHBondContact O-N 3.22Å; V58-L60 VanDerWaalsContact C-N 3.35Å; V58-L60 PolarHBondContact O-N 3.06Å; L60-N63 PolarHBondContact O-N 3.16Å; L60-S64 WeakPolarHBondContact O-CB 3.48Å; L60-S64 PolarHBondContact O-N 3.36Å |
| 61 | L | 91.1 | Very high | 84.9 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66 | -42.2 | 173.1 | -71.6 | 177.4 | 0 | 0 | 0 | 111.7 | V29 L33 A57 V58 E59 N63 S64 A67 F78 A84 F87 M88 | V29-L61 HydrophobicContact CG1-CD2 3.38Å; L33-L61 HydrophobicContact CD1-CD2 4.13Å; L33-L61 HydrophobicContact CD2-CD2 3.92Å; L33-L61 HydrophobicContact CD2-CG 3.99Å; L33-L61 HydrophobicContact CG-CD2 4.13Å; A57-L61 WeakPolarHBondContact O-CG 3.5Å; A57-L61 PolarHBondContact O-N 2.98Å; V58-L61 PolarHBondContact O-N 2.93Å; E59-L61 VanDerWaalsContact C-N 3.32Å; E59-L61 PolarHBondContact O-N 3.07Å; L61-N63 PolarHBondContact O-N 3.39Å; L61-S64 VanDerWaalsContact O-CB 3.29Å; L61-S64 WeakPolarHBondContact O-CB 3.41Å; L61-S64 PolarHBondContact O-N 3.12Å; L61-S64 VanDerWaalsContact O-N 3.12Å; L61-S64 PolarHBondContact O-OG 3.47Å; L61-A67 WeakPolarHBondContact O-CB 3.12Å; L61-F78 HydrophobicContact CB-CD2 4.33Å; L61-F78 HydrophobicContact CB-CE2 4.45Å; L61-F78 HydrophobicContact CD1-CZ 4.48Å; L61-F78 HydrophobicContact CD2-CE2 3.89Å; L61-F78 HydrophobicContact CD2-CZ 4.2Å; L61-A84 HydrophobicContact CB-CB 4.31Å; L61-A84 HydrophobicContact CD1-CB 4.29Å; L61-F87 HydrophobicContact CD1-CD1 4.36Å; L61-M88 HydrophobicContact CD1-CG 3.82Å; L61-M88 HydrophobicContact CD1-SD 3.78Å |
| 62 | M | 88.8 | Confident | 83.4 | Confident | 79 Ų | 79 | 62.9 Ų | 62.9 | 39% | 0.389 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -66.6 | -25.9 | 175.7 | -70.6 | -168.9 | 65.2 | 0 | 0 | 113.4 | V58 E59 A67 Q81 | V58-M62 WeakPolarHBondContact O-CG 3.4Å; V58-M62 PolarHBondContact O-N 3.42Å; E59-M62 PolarHBondContact O-N 2.91Å; M62-A67 WeakPolarHBondContact O-CB 3.49Å; M62-Q81 HydrophobicContact SD-CB 3.81Å; M62-Q81 HydrophobicContact SD-CG 4.11Å |
| 63 | N | 88.5 | Confident | 81.9 | Confident | 81 Ų | 81 | 67.4 Ų | 67.4 | 43% | 0.433 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91 | -2.3 | 174.4 | -72.2 | -43.1 | 0 | 0 | 0 | 113.7 | E59 L60 L61 R68 | E59-N63 PolarHBondContact O-N 3.26Å; E59-N63 PolarHBondContact O-ND2 3.01Å; E59-N63 VanDerWaalsContact O-ND2 3.16Å; L60-N63 PolarHBondContact O-N 3.16Å; L61-N63 PolarHBondContact O-N 3.39Å; N63-R68 PolarHBondContact OD1-NH2 3.02Å |
| 64 | S | 87.7 | Confident | 80.6 | Confident | 1 Ų | 1 | 73.2 Ų | 73.2 | 1% | 0.007 | 38% | 0.376 | C | S | . | . | S | Bend | trans | -77.9 | 165.5 | -177.4 | 77.2 | 0 | 0 | 0 | 0 | 112.7 | L60 L61 W66 A67 R68 | L60-S64 WeakPolarHBondContact O-CB 3.48Å; L60-S64 PolarHBondContact O-N 3.36Å; L61-S64 VanDerWaalsContact O-CB 3.29Å; L61-S64 WeakPolarHBondContact O-CB 3.41Å; L61-S64 PolarHBondContact O-N 3.12Å; L61-S64 VanDerWaalsContact O-N 3.12Å; L61-S64 PolarHBondContact O-OG 3.47Å; S64-W66 PolarHBondContact O-N 3.39Å; S64-W66 VanDerWaalsContact O-N 3.15Å; S64-W66 PolarHBondContact OG-N 3.44Å; S64-A67 PolarHBondContact O-N 2.97Å; S64-A67 VanDerWaalsContact O-N 3.09Å; S64-R68 PolarHBondContact O-N 2.94Å |
| 65 | H | 83.9 | Confident | 79.4 | Confident | 112 Ų | 112 | 77.5 Ų | 77.5 | 52% | 0.519 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -17.2 | 172.5 | 66.8 | 154.9 | 0 | 0 | 0 | 114.5 | S69 | H65-S69 PolarHBondContact O-N 3.25Š|
| 66 | W | 84.9 | Confident | 78.6 | Confident | 32 Ų | 32 | 75.8 Ų | 75.8 | 12% | 0.121 | 40% | 0.399 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -19.1 | 175.4 | -64.3 | -72.9 | 0 | 0 | 0 | 113.6 | D28 V29 Y32 S64 T76 L77 F78 | D28-W66 HydrophobicContact CB-CZ2 4.3Å; V29-W66 VanDerWaalsContact CA-CH2 3.45Å; V29-W66 HydrophobicContact CB-CH2 4.07Å; V29-W66 HydrophobicContact CB-CZ2 4.35Å; V29-W66 HydrophobicContact CB-CZ3 4.15Å; V29-W66 HydrophobicContact CG1-CE3 4.33Å; V29-W66 HydrophobicContact CG1-CH2 4.5Å; V29-W66 HydrophobicContact CG1-CZ3 4.09Å; V29-W66 HydrophobicContact CG2-CD2 3.8Å; V29-W66 HydrophobicContact CG2-CE3 3.87Å; V29-W66 HydrophobicContact CG2-CH2 3.72Å; V29-W66 HydrophobicContact CG2-CZ2 3.56Å; V29-W66 HydrophobicContact CG2-CZ3 3.85Å; Y32-W66 HydrophobicContact CD1-CH2 4.46Å; Y32-W66 AromaticContact CD1-CZ3 3.69Å; Y32-W66 HydrophobicContact CD1-CZ3 3.69Å; Y32-W66 HydrophobicContact CD2-CH2 4.44Å; Y32-W66 HydrophobicContact CD2-CZ3 4.24Å; Y32-W66 HydrophobicContact CE1-CZ3 4.34Å; Y32-W66 AromaticContact CG-CH2 3.97Å; Y32-W66 HydrophobicContact CG-CH2 3.97Å; Y32-W66 AromaticContact CG-CZ3 3.63Å; Y32-W66 HydrophobicContact CG-CZ3 3.63Å; S64-W66 PolarHBondContact O-N 3.39Å; S64-W66 VanDerWaalsContact O-N 3.15Å; S64-W66 PolarHBondContact OG-N 3.44Å; W66-T76 WeakPolarHBondContact O-CA 3.36Å; W66-L77 HydrophobicContact CB-CB 4.4Å; W66-L77 HydrophobicContact CG-CD1 4.32Å; W66-L77 PolarHBondContact O-N 3.26Å; W66-L77 VanDerWaalsContact O-N 3.16Å; W66-F78 HydrophobicContact CB-CD2 3.58Å; W66-F78 HydrophobicContact CB-CE2 3.66Å; W66-F78 HydrophobicContact CD2-CE2 4.5Å; W66-F78 HydrophobicContact CE3-CE2 4.43Å; W66-F78 HydrophobicContact CG-CE2 4.22Å |
| 67 | A | 83.2 | Confident | 77.9 | Confident | 24 Ų | 24 | 76 Ų | 76 | 20% | 0.198 | 40% | 0.401 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | -29.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L61 M62 S64 F78 | L61-A67 WeakPolarHBondContact O-CB 3.12Å; M62-A67 WeakPolarHBondContact O-CB 3.49Å; S64-A67 PolarHBondContact O-N 2.97Å; S64-A67 VanDerWaalsContact O-N 3.09Å; A67-F78 HydrophobicContact CB-CB 4.13Å |
| 68 | R | 73 | Confident | 77.5 | Confident | 177 Ų | 177 | 76.3 Ų | 76.3 | 67% | 0.668 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -109.1 | 23.3 | -174.8 | -60.5 | -172.9 | -177.6 | -179.5 | 2.8 | 114 | N63 S64 N70 | N63-R68 PolarHBondContact OD1-NH2 3.02Å; S64-R68 PolarHBondContact O-N 2.94Å; R68-N70 PolarHBondContact O-N 3.19Å; R68-N70 VanDerWaalsContact O-N 3.14Å |
| 69 | S | 63.3 | Low | 77.1 | Confident | 36 Ų | 36 | 81.8 Ų | 81.8 | 25% | 0.252 | 44% | 0.436 | S | S | . | . | trans | -65 | 122.3 | -176 | 79.9 | 0 | 0 | 0 | 0 | 110.4 | H65 K74 T76 | H65-S69 PolarHBondContact O-N 3.25Å; S69-K74 PolarHBondContact OG-O 3.22Å; S69-T76 WeakPolarHBondContact OG-CG2 3.29Å | ||
| 70 | N | 59.4 | Low | 77 | Confident | 155 Ų | 155 | 78.6 Ų | 78.6 | 83% | 0.829 | 43% | 0.427 | S | S | * | . | trans | -100.2 | 5.7 | 170.1 | -145.1 | 4.9 | 0 | 0 | 0 | 110.2 | R68 | R68-N70 PolarHBondContact O-N 3.19Å; R68-N70 VanDerWaalsContact O-N 3.14Å | ||
| 71 | D | 62.6 | Low | 77 | Confident | 121 Ų | 121 | 81.2 Ų | 81.2 | 65% | 0.647 | 44% | 0.438 | S | S | * | . | trans | -107 | 115.6 | -175.4 | -63.7 | -33.2 | 0 | 0 | 0 | 109.6 | A73 K74 | D71-A73 PolarHBondContact O-N 3.03Å; D71-K74 PolarHBondContact O-N 3.41Å | ||
| 72 | D | 60 | Low | 77 | Confident | 177 Ų | 177 | 85.5 Ų | 85.5 | 95% | 0.947 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -13.3 | -178.6 | -61.4 | -50.2 | 0 | 0 | 0 | 114.4 | ||
| 73 | A | 62.1 | Low | 77.2 | Confident | 96 Ų | 96 | 84.5 Ų | 84.5 | 79% | 0.793 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | -17 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | D71 | D71-A73 PolarHBondContact O-N 3.03Š|
| 74 | K | 64.5 | Low | 77.4 | Confident | 148 Ų | 148 | 80.6 Ų | 80.6 | 64% | 0.643 | 44% | 0.442 | S | S | * | . | S | Bend | trans | -132.5 | 121.8 | 177.8 | -67.4 | -177.7 | -176.6 | -178.8 | 0 | 109.5 | S69 D71 T76 | S69-K74 PolarHBondContact OG-O 3.22Å; D71-K74 PolarHBondContact O-N 3.41Å; K74-T76 PolarHBondContact O-N 2.89Å |
| 75 | P | 66.1 | Low | 77.7 | Confident | 93 Ų | 93 | 82 Ų | 82 | 60% | 0.604 | 45% | 0.451 | S | S | * | . | trans | -59.6 | 136 | -177.2 | 25.4 | -33.4 | 0 | 0 | 0 | 110.2 | L77 | P75-L77 HydrophobicContact CG-CD2 4.42Å; P75-L77 PolarHBondContact O-N 3.13Å | ||
| 76 | T | 72.9 | Confident | 78.1 | Confident | 66 Ų | 66 | 81.2 Ų | 81.2 | 41% | 0.405 | 45% | 0.45 | S | S | . | . | trans | -60.6 | 104.1 | 169.3 | 50.7 | 0 | 0 | 0 | 0 | 108.4 | W66 S69 K74 F78 | W66-T76 WeakPolarHBondContact O-CA 3.36Å; S69-T76 WeakPolarHBondContact OG-CG2 3.29Å; K74-T76 PolarHBondContact O-N 2.89Å; T76-F78 VanDerWaalsContact C-N 3.31Å | ||
| 77 | L | 76.3 | Confident | 78.4 | Confident | 43 Ų | 43 | 81.1 Ų | 81.1 | 23% | 0.225 | 45% | 0.451 | C | S | . | . | S | Bend | trans | -74.1 | -25.6 | -177.4 | -64.8 | 175.8 | 0 | 0 | 0 | 112 | W66 P75 T83 | W66-L77 HydrophobicContact CB-CB 4.4Å; W66-L77 HydrophobicContact CG-CD1 4.32Å; W66-L77 PolarHBondContact O-N 3.26Å; W66-L77 VanDerWaalsContact O-N 3.16Å; P75-L77 HydrophobicContact CG-CD2 4.42Å; P75-L77 PolarHBondContact O-N 3.13Å; L77-T83 WeakPolarHBondContact O-CG2 3.46Å |
| 78 | F | 83.8 | Confident | 78.8 | Confident | 6 Ų | 6 | 80 Ų | 80 | 3% | 0.026 | 44% | 0.441 | C | S | . | . | trans | -126.5 | 79.6 | -170.9 | -51.4 | -54.4 | 0 | 0 | 0 | 112.2 | V29 L61 W66 A67 T76 A84 F87 | V29-F78 HydrophobicContact CG1-CE2 4.5Å; V29-F78 HydrophobicContact CG1-CZ 4.42Å; L61-F78 HydrophobicContact CB-CD2 4.33Å; L61-F78 HydrophobicContact CB-CE2 4.45Å; L61-F78 HydrophobicContact CD1-CZ 4.48Å; L61-F78 HydrophobicContact CD2-CE2 3.89Å; L61-F78 HydrophobicContact CD2-CZ 4.2Å; W66-F78 HydrophobicContact CB-CD2 3.58Å; W66-F78 HydrophobicContact CB-CE2 3.66Å; W66-F78 HydrophobicContact CD2-CE2 4.5Å; W66-F78 HydrophobicContact CE3-CE2 4.43Å; W66-F78 HydrophobicContact CG-CE2 4.22Å; A67-F78 HydrophobicContact CB-CB 4.13Å; T76-F78 VanDerWaalsContact C-N 3.31Å; F78-A84 HydrophobicContact CD1-CB 4.11Å; F78-F87 HydrophobicContact CE1-CB 3.58Å; F78-F87 AromaticContact CE1-CD1 3.73Å; F78-F87 HydrophobicContact CE1-CD1 3.73Å; F78-F87 HydrophobicContact CE1-CD2 4.02Å; F78-F87 HydrophobicContact CE1-CE1 4.4Å; F78-F87 AromaticContact CE1-CG 3.5Å; F78-F87 HydrophobicContact CE1-CG 3.5Å; F78-F87 HydrophobicContact CZ-CB 4.33Å; F78-F87 AromaticContact CZ-CD1 3.6Å; F78-F87 HydrophobicContact CZ-CD1 3.6Å; F78-F87 HydrophobicContact CZ-CD2 4.17Å; F78-F87 AromaticContact CZ-CE1 3.83Å; F78-F87 HydrophobicContact CZ-CE1 3.83Å; F78-F87 HydrophobicContact CZ-CE2 4.37Å; F78-F87 AromaticContact CZ-CG 3.77Å; F78-F87 HydrophobicContact CZ-CG 3.77Å; F78-F87 HydrophobicContact CZ-CZ 4.2Å | ||
| 79 | T | 85 | Confident | 79.8 | Confident | 117 Ų | 117 | 73.4 Ų | 73.4 | 72% | 0.718 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -76.1 | -33.5 | 173.3 | -45.9 | 0 | 0 | 0 | 0 | 112.6 | ||
| 80 | S | 89 | Confident | 81.1 | Confident | 53 Ų | 53 | 74 Ų | 74 | 37% | 0.371 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -135.7 | 156.2 | -175.1 | 179.7 | 0 | 0 | 0 | 0 | 111.1 | T82 T83 A84 | S80-T82 PolarHBondContact O-N 2.9Å; S80-T82 PolarHBondContact OG-N 3.26Å; S80-T83 WeakPolarHBondContact O-CB 3.27Å; S80-T83 PolarHBondContact O-N 2.8Å; S80-A84 PolarHBondContact O-N 2.9Å |
| 81 | Q | 91 | Very high | 82.6 | Confident | 88 Ų | 88 | 66.6 Ų | 66.6 | 41% | 0.411 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -54.2 | -37.5 | 172.6 | -168.5 | 179.3 | 6.7 | 0 | 0 | 111.3 | V58 M62 T83 A84 V85 | V58-Q81 HydrophobicContact CG1-CG 3.61Å; M62-Q81 HydrophobicContact SD-CB 3.81Å; M62-Q81 HydrophobicContact SD-CG 4.11Å; Q81-T83 VanDerWaalsContact C-N 3.32Å; Q81-T83 PolarHBondContact O-N 2.89Å; Q81-A84 PolarHBondContact O-N 3.4Å; Q81-V85 VanDerWaalsContact O-CG2 3.31Å; Q81-V85 WeakPolarHBondContact O-CG2 3.5Å; Q81-V85 PolarHBondContact O-N 3.4Å |
| 82 | T | 92.2 | Very high | 83.9 | Confident | 90 Ų | 90 | 61.3 Ų | 61.3 | 55% | 0.552 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -61 | -40.4 | 177 | -47.5 | 0 | 0 | 0 | 0 | 111.9 | S80 V85 N86 | S80-T82 PolarHBondContact O-N 2.9Å; S80-T82 PolarHBondContact OG-N 3.26Å; T82-V85 PolarHBondContact O-N 3.41Å; T82-N86 WeakPolarHBondContact O-CB 3.41Å; T82-N86 VanDerWaalsContact O-CG 3.25Å; T82-N86 PolarHBondContact O-N 2.88Å; T82-N86 PolarHBondContact O-ND2 3.35Å |
| 83 | T | 91.9 | Very high | 85.3 | Confident | 58 Ų | 58 | 59 Ų | 59 | 36% | 0.356 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -66.9 | -40.2 | 177.8 | -44.5 | 0 | 0 | 0 | 0 | 111.1 | L77 S80 Q81 N86 F87 | L77-T83 WeakPolarHBondContact O-CG2 3.46Å; S80-T83 WeakPolarHBondContact O-CB 3.27Å; S80-T83 PolarHBondContact O-N 2.8Å; Q81-T83 VanDerWaalsContact C-N 3.32Å; Q81-T83 PolarHBondContact O-N 2.89Å; T83-N86 PolarHBondContact O-N 3.35Å; T83-F87 WeakPolarHBondContact O-CB 3.33Å; T83-F87 PolarHBondContact O-N 3.31Å |
| 84 | A | 92.4 | Very high | 86.6 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64 | -40.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | V58 L61 F78 S80 Q81 F87 M88 | V58-A84 HydrophobicContact CG1-CB 4.1Å; L61-A84 HydrophobicContact CB-CB 4.31Å; L61-A84 HydrophobicContact CD1-CB 4.29Å; F78-A84 HydrophobicContact CD1-CB 4.11Å; S80-A84 PolarHBondContact O-N 2.9Å; Q81-A84 PolarHBondContact O-N 3.4Å; A84-F87 PolarHBondContact O-N 2.96Å; A84-M88 WeakPolarHBondContact O-CB 3.18Å; A84-M88 VanDerWaalsContact O-CG 3.29Å; A84-M88 WeakPolarHBondContact O-CG 3.5Å; A84-M88 PolarHBondContact O-N 3.5Å |
| 85 | V | 93.4 | Very high | 87.8 | Confident | 31 Ų | 31 | 53.2 Ų | 53.2 | 19% | 0.188 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -65.3 | -42.3 | 175.7 | 170.2 | 0 | 0 | 0 | 0 | 111.6 | V58 Q81 T82 F87 M88 T89 F189 L191 | V58-V85 HydrophobicContact CG1-CG2 4.37Å; V58-V85 HydrophobicContact CG2-CG2 4.11Å; Q81-V85 VanDerWaalsContact O-CG2 3.31Å; Q81-V85 WeakPolarHBondContact O-CG2 3.5Å; Q81-V85 PolarHBondContact O-N 3.4Å; T82-V85 PolarHBondContact O-N 3.41Å; V85-F87 VanDerWaalsContact C-N 3.34Å; V85-M88 PolarHBondContact O-N 3.08Å; V85-T89 WeakPolarHBondContact O-CB 3.3Å; V85-T89 PolarHBondContact O-N 2.96Å; V85-T89 PolarHBondContact O-OG1 2.9Å; V85-F189 HydrophobicContact CB-CE1 4.46Å; V85-F189 HydrophobicContact CG1-CD1 4.05Å; V85-F189 HydrophobicContact CG1-CE1 4.05Å; V85-F189 HydrophobicContact CG2-CE1 4.42Å; V85-L191 HydrophobicContact CG2-CD2 4Å |
| 86 | N | 92.3 | Very high | 88.9 | Confident | 94 Ų | 94 | 49 Ų | 49 | 50% | 0.503 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.2 | -44.1 | 175.6 | -72.1 | -15 | 0 | 0 | 0 | 111.1 | T82 T83 T89 T90 | T82-N86 WeakPolarHBondContact O-CB 3.41Å; T82-N86 VanDerWaalsContact O-CG 3.25Å; T82-N86 PolarHBondContact O-N 2.88Å; T82-N86 PolarHBondContact O-ND2 3.35Å; T83-N86 PolarHBondContact O-N 3.35Å; N86-T89 CarbonylContact O-C 3.59Å; N86-T89 WeakPolarHBondContact O-CA 3.48Å; N86-T89 VanDerWaalsContact O-CB 3.29Å; N86-T89 WeakPolarHBondContact O-CB 3.47Å; N86-T89 PolarHBondContact O-N 2.89Å; N86-T89 VanDerWaalsContact O-N 3.11Å; N86-T90 PolarHBondContact O-N 2.96Å; N86-T90 PolarHBondContact O-OG1 3.11Å |
| 87 | F | 92 | Very high | 89.8 | Confident | 30 Ų | 30 | 45.9 Ų | 45.9 | 13% | 0.132 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -62.9 | -43.4 | 176.1 | -178 | -95.5 | 0 | 0 | 0 | 112.5 | E26 V29 L61 F78 T83 A84 V85 T89 T90 L91 | E26-F87 HydrophobicContact CB-CZ 4.4Å; E26-F87 HydrophobicContact CG-CE2 3.77Å; E26-F87 HydrophobicContact CG-CZ 3.95Å; V29-F87 HydrophobicContact CB-CE1 3.84Å; V29-F87 HydrophobicContact CB-CZ 3.79Å; V29-F87 HydrophobicContact CG1-CD1 4.45Å; V29-F87 HydrophobicContact CG1-CE1 3.45Å; V29-F87 VanDerWaalsContact CG1-CE1 3.45Å; V29-F87 HydrophobicContact CG1-CZ 3.94Å; V29-F87 HydrophobicContact CG2-CE1 4.22Å; V29-F87 HydrophobicContact CG2-CZ 3.86Å; L61-F87 HydrophobicContact CD1-CD1 4.36Å; F78-F87 HydrophobicContact CE1-CB 3.58Å; F78-F87 AromaticContact CE1-CD1 3.73Å; F78-F87 HydrophobicContact CE1-CD1 3.73Å; F78-F87 HydrophobicContact CE1-CD2 4.02Å; F78-F87 HydrophobicContact CE1-CE1 4.4Å; F78-F87 AromaticContact CE1-CG 3.5Å; F78-F87 HydrophobicContact CE1-CG 3.5Å; F78-F87 HydrophobicContact CZ-CB 4.33Å; F78-F87 AromaticContact CZ-CD1 3.6Å; F78-F87 HydrophobicContact CZ-CD1 3.6Å; F78-F87 HydrophobicContact CZ-CD2 4.17Å; F78-F87 AromaticContact CZ-CE1 3.83Å; F78-F87 HydrophobicContact CZ-CE1 3.83Å; F78-F87 HydrophobicContact CZ-CE2 4.37Å; F78-F87 AromaticContact CZ-CG 3.77Å; F78-F87 HydrophobicContact CZ-CG 3.77Å; F78-F87 HydrophobicContact CZ-CZ 4.2Å; T83-F87 WeakPolarHBondContact O-CB 3.33Å; T83-F87 PolarHBondContact O-N 3.31Å; A84-F87 PolarHBondContact O-N 2.96Å; V85-F87 VanDerWaalsContact C-N 3.34Å; F87-T89 PolarHBondContact O-N 2.83Å; F87-T90 WeakPolarHBondContact O-CB 3.14Å; F87-T90 PolarHBondContact O-N 2.89Å; F87-T90 VanDerWaalsContact O-N 3.08Å; F87-L91 HydrophobicContact CD1-CD1 4Å; F87-L91 HydrophobicContact CD1-CG 4.14Å; F87-L91 HydrophobicContact CE1-CD1 3.53Å; F87-L91 HydrophobicContact CE1-CD2 4.1Å; F87-L91 HydrophobicContact CE1-CG 3.8Å; F87-L91 HydrophobicContact CZ-CD1 4.34Å; F87-L91 HydrophobicContact CZ-CD2 4.1Å; F87-L91 HydrophobicContact CZ-CG 4.27Å; F87-L91 PolarHBondContact O-N 3.15Å |
| 88 | M | 92.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -60.7 | -35.6 | 172.6 | -72.9 | -62.4 | -69.7 | 0 | 0 | 111.9 | L33 F52 A57 V58 L61 A84 V85 L91 F92 F97 F189 | L33-M88 HydrophobicContact CD1-SD 3.95Å; F52-M88 HydrophobicContact CE2-CE 4.07Å; F52-M88 HydrophobicContact CZ-CE 4.41Å; A57-M88 HydrophobicContact CB-CE 3.82Å; V58-M88 HydrophobicContact CG2-CG 4.42Å; L61-M88 HydrophobicContact CD1-CG 3.82Å; L61-M88 HydrophobicContact CD1-SD 3.78Å; A84-M88 WeakPolarHBondContact O-CB 3.18Å; A84-M88 VanDerWaalsContact O-CG 3.29Å; A84-M88 WeakPolarHBondContact O-CG 3.5Å; A84-M88 PolarHBondContact O-N 3.5Å; V85-M88 PolarHBondContact O-N 3.08Å; M88-L91 PolarHBondContact O-N 2.92Å; M88-L91 HydrophobicContact SD-CD1 4.08Å; M88-F92 VanDerWaalsContact O-CB 3.28Å; M88-F92 WeakPolarHBondContact O-CB 3.35Å; M88-F92 PolarHBondContact O-N 2.8Å; M88-F97 HydrophobicContact CE-CE1 3.81Å; M88-F97 HydrophobicContact CE-CE2 4.26Å; M88-F97 HydrophobicContact CE-CZ 3.5Å; M88-F97 VanDerWaalsContact CE-CZ 3.5Å; M88-F97 WeakPolarHBondContact O-CZ 3.22Å; M88-F97 HydrophobicContact SD-CZ 4.39Å; M88-F189 HydrophobicContact CB-CD1 4Å; M88-F189 HydrophobicContact CB-CD2 4.24Å; M88-F189 HydrophobicContact CB-CE1 3.61Å; M88-F189 HydrophobicContact CB-CE2 3.87Å; M88-F189 HydrophobicContact CB-CG 4.3Å; M88-F189 HydrophobicContact CB-CZ 3.54Å; M88-F189 HydrophobicContact CE-CE2 3.9Å; M88-F189 HydrophobicContact CE-CZ 4.18Å; M88-F189 HydrophobicContact CG-CE1 4.35Å; M88-F189 HydrophobicContact CG-CE2 4.46Å; M88-F189 HydrophobicContact CG-CZ 3.97Å |
| 89 | T | 92.6 | Very high | 90.9 | Very high | 40 Ų | 40 | 46.7 Ų | 46.7 | 25% | 0.245 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.3 | -38.7 | 173.6 | -54.4 | 0 | 0 | 0 | 0 | 111.4 | V85 N86 F87 F92 Q93 | V85-T89 WeakPolarHBondContact O-CB 3.3Å; V85-T89 PolarHBondContact O-N 2.96Å; V85-T89 PolarHBondContact O-OG1 2.9Å; N86-T89 CarbonylContact O-C 3.59Å; N86-T89 WeakPolarHBondContact O-CA 3.48Å; N86-T89 VanDerWaalsContact O-CB 3.29Å; N86-T89 WeakPolarHBondContact O-CB 3.47Å; N86-T89 PolarHBondContact O-N 2.89Å; N86-T89 VanDerWaalsContact O-N 3.11Å; F87-T89 PolarHBondContact O-N 2.83Å; T89-F92 WeakPolarHBondContact O-CB 3.29Å; T89-F92 PolarHBondContact O-N 2.69Å; T89-Q93 WeakPolarHBondContact O-CG 3.38Å; T89-Q93 PolarHBondContact O-N 3.44Å |
| 90 | T | 90.7 | Very high | 91.1 | Very high | 47 Ų | 47 | 41.2 Ų | 41.2 | 29% | 0.288 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -65.2 | -44.8 | 173.2 | -54.1 | 0 | 0 | 0 | 0 | 112.2 | N86 F87 F92 Q93 K94 | N86-T90 PolarHBondContact O-N 2.96Å; N86-T90 PolarHBondContact O-OG1 3.11Å; F87-T90 WeakPolarHBondContact O-CB 3.14Å; F87-T90 PolarHBondContact O-N 2.89Å; F87-T90 VanDerWaalsContact O-N 3.08Å; T90-F92 VanDerWaalsContact C-N 3.25Å; T90-F92 PolarHBondContact O-N 2.92Å; T90-Q93 PolarHBondContact O-N 3.23Å; T90-K94 HydrophobicContact CG2-CD 4.33Å; T90-K94 WeakPolarHBondContact O-CG 3.47Å; T90-K94 PolarHBondContact O-N 3.36Å |
| 91 | L | 91 | Very high | 91.1 | Very high | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.4 | -36.3 | 175.2 | -66.4 | -175.4 | 0 | 0 | 0 | 112.2 | E26 L33 F87 M88 K94 Q95 M96 F97 | E26-L91 HydrophobicContact CB-CD2 3.73Å; E26-L91 HydrophobicContact CG-CD2 3.97Å; L33-L91 HydrophobicContact CD1-CD1 4.22Å; F87-L91 HydrophobicContact CD1-CD1 4Å; F87-L91 HydrophobicContact CD1-CG 4.14Å; F87-L91 HydrophobicContact CE1-CD1 3.53Å; F87-L91 HydrophobicContact CE1-CD2 4.1Å; F87-L91 HydrophobicContact CE1-CG 3.8Å; F87-L91 HydrophobicContact CZ-CD1 4.34Å; F87-L91 HydrophobicContact CZ-CD2 4.1Å; F87-L91 HydrophobicContact CZ-CG 4.27Å; F87-L91 PolarHBondContact O-N 3.15Å; M88-L91 PolarHBondContact O-N 2.92Å; M88-L91 HydrophobicContact SD-CD1 4.08Å; L91-K94 CarbonylContact O-C 3.59Å; L91-K94 PolarHBondContact O-N 3.09Å; L91-Q95 PolarHBondContact O-N 3.05Å; L91-M96 HydrophobicContact CD2-SD 3.66Å; L91-M96 PolarHBondContact O-N 3.07Å; L91-F97 HydrophobicContact CB-CE1 3.62Å; L91-F97 HydrophobicContact CB-CZ 4.1Å; L91-F97 HydrophobicContact CD1-CE1 4.32Å |
| 92 | F | 90.7 | Very high | 90.8 | Very high | 10 Ų | 10 | 40.9 Ų | 40.9 | 4% | 0.044 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.5 | -45.4 | 175.1 | -179.3 | -89.7 | 0 | 0 | 0 | 112 | M88 T89 T90 K94 Q95 F97 R99 Q187 Y198 | M88-F92 VanDerWaalsContact O-CB 3.28Å; M88-F92 WeakPolarHBondContact O-CB 3.35Å; M88-F92 PolarHBondContact O-N 2.8Å; T89-F92 WeakPolarHBondContact O-CB 3.29Å; T89-F92 PolarHBondContact O-N 2.69Å; T90-F92 VanDerWaalsContact C-N 3.25Å; T90-F92 PolarHBondContact O-N 2.92Å; F92-K94 PolarHBondContact O-N 3.12Å; F92-Q95 PolarHBondContact O-N 2.63Å; F92-F97 HydrophobicContact CB-CD2 4.45Å; F92-F97 HydrophobicContact CB-CE2 3.7Å; F92-F97 HydrophobicContact CB-CZ 3.91Å; F92-F97 AromaticContact CD2-CD2 3.74Å; F92-F97 HydrophobicContact CD2-CD2 3.74Å; F92-F97 AromaticContact CD2-CE2 3.59Å; F92-F97 HydrophobicContact CD2-CE2 3.59Å; F92-F97 HydrophobicContact CG-CE2 4.14Å; F92-R99 HydrophobicContact CE2-CB 4.23Å; F92-Q187 HydrophobicContact CE1-CB 3.88Å; F92-Q187 WeakPolarHBondContact CE1-O 3.47Å; F92-Q187 HydrophobicContact CZ-CB 3.55Å; F92-Q187 HydrophobicContact CZ-CG 4.34Å; F92-Y198 HydrophobicContact CD2-CD1 4.49Å; F92-Y198 HydrophobicContact CD2-CE1 4.2Å; F92-Y198 HydrophobicContact CE2-CD1 4.47Å; F92-Y198 HydrophobicContact CE2-CE1 4.08Å |
| 93 | Q | 90.1 | Very high | 90.4 | Very high | 129 Ų | 129 | 39.4 Ų | 39.4 | 60% | 0.603 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -58.8 | -34 | 174.5 | -73.9 | 172.6 | -6.2 | 0 | 0 | 111.9 | T89 T90 Q95 | T89-Q93 WeakPolarHBondContact O-CG 3.38Å; T89-Q93 PolarHBondContact O-N 3.44Å; T90-Q93 PolarHBondContact O-N 3.23Å; Q93-Q95 PolarHBondContact O-N 2.75Å |
| 94 | K | 89.4 | Confident | 89.7 | Confident | 35 Ų | 35 | 44 Ų | 44 | 15% | 0.152 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | 10.2 | 175.2 | -69.9 | 174.4 | 165.3 | 177.3 | 0 | 114.4 | P22 E26 T90 L91 F92 M96 | P22-K94 HydrophobicContact CB-CD 4.23Å; E26-K94 IonicContact OE1-NZ 3.73Å; E26-K94 PolarHBondContact OE1-NZ 3.04Å; E26-K94 WeakPolarHBondContact OE2-CD 3.44Å; E26-K94 WeakPolarHBondContact OE2-CE 3.31Å; E26-K94 IonicContact OE2-NZ 3.8Å; E26-K94 PolarHBondContact OE2-NZ 2.88Å; T90-K94 HydrophobicContact CG2-CD 4.33Å; T90-K94 WeakPolarHBondContact O-CG 3.47Å; T90-K94 PolarHBondContact O-N 3.36Å; L91-K94 CarbonylContact O-C 3.59Å; L91-K94 PolarHBondContact O-N 3.09Å; F92-K94 PolarHBondContact O-N 3.12Å; K94-M96 HydrophobicContact CB-CG 4.4Å; K94-M96 PolarHBondContact O-N 2.93Å |
| 95 | Q | 88.9 | Confident | 88.5 | Confident | 87 Ų | 87 | 51.3 Ų | 51.3 | 41% | 0.407 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.1 | 28 | 175.4 | -63.3 | -65.7 | -61.7 | 0 | 0 | 114.4 | L91 F92 Q93 F97 | L91-Q95 PolarHBondContact O-N 3.05Å; F92-Q95 PolarHBondContact O-N 2.63Å; Q93-Q95 PolarHBondContact O-N 2.75Å; Q95-F97 VanDerWaalsContact C-N 3.28Å; Q95-F97 PolarHBondContact O-N 3.39Å |
| 96 | M | 89 | Confident | 86.7 | Confident | 5 Ų | 5 | 58.8 Ų | 58.8 | 3% | 0.025 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -72.6 | -25.6 | 177.1 | -60 | -160.2 | 77.1 | 0 | 0 | 112.6 | P22 A30 L91 K94 I201 Y202 | P22-M96 HydrophobicContact CB-SD 4.28Å; A30-M96 HydrophobicContact CB-CE 3.25Å; A30-M96 HydrophobicContact CB-SD 3.83Å; L91-M96 HydrophobicContact CD2-SD 3.66Å; L91-M96 PolarHBondContact O-N 3.07Å; K94-M96 HydrophobicContact CB-CG 4.4Å; K94-M96 PolarHBondContact O-N 2.93Å; M96-I201 PolarHBondContact O-N 3.49Å; M96-Y202 HydrophobicContact CE-CD1 3.58Å; M96-Y202 HydrophobicContact CE-CD2 3.52Å; M96-Y202 HydrophobicContact CE-CE1 4Å; M96-Y202 HydrophobicContact CE-CE2 3.96Å; M96-Y202 HydrophobicContact CE-CG 3.32Å; M96-Y202 PolarHBondContact O-N 2.93Å |
| 97 | F | 91.9 | Very high | 84.8 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 158.3 | 175 | 51.8 | -95.6 | 0 | 0 | 0 | 110.4 | F52 M88 L91 F92 Q95 F189 Y198 V199 W200 | F52-F97 HydrophobicContact CE1-CB 3.84Å; F52-F97 HydrophobicContact CE1-CD1 4.48Å; F52-F97 HydrophobicContact CE1-CG 4.06Å; F52-F97 HydrophobicContact CZ-CB 4.02Å; F52-F97 AromaticContact CZ-CD1 3.97Å; F52-F97 HydrophobicContact CZ-CD1 3.97Å; F52-F97 AromaticContact CZ-CD2 3.89Å; F52-F97 HydrophobicContact CZ-CD2 3.89Å; F52-F97 HydrophobicContact CZ-CE1 4.41Å; F52-F97 HydrophobicContact CZ-CE2 4.31Å; F52-F97 AromaticContact CZ-CG 3.7Å; F52-F97 HydrophobicContact CZ-CG 3.7Å; M88-F97 HydrophobicContact CE-CE1 3.81Å; M88-F97 HydrophobicContact CE-CE2 4.26Å; M88-F97 HydrophobicContact CE-CZ 3.5Å; M88-F97 VanDerWaalsContact CE-CZ 3.5Å; M88-F97 WeakPolarHBondContact O-CZ 3.22Å; M88-F97 HydrophobicContact SD-CZ 4.39Å; L91-F97 HydrophobicContact CB-CE1 3.62Å; L91-F97 HydrophobicContact CB-CZ 4.1Å; L91-F97 HydrophobicContact CD1-CE1 4.32Å; F92-F97 HydrophobicContact CB-CD2 4.45Å; F92-F97 HydrophobicContact CB-CE2 3.7Å; F92-F97 HydrophobicContact CB-CZ 3.91Å; F92-F97 AromaticContact CD2-CD2 3.74Å; F92-F97 HydrophobicContact CD2-CD2 3.74Å; F92-F97 AromaticContact CD2-CE2 3.59Å; F92-F97 HydrophobicContact CD2-CE2 3.59Å; F92-F97 HydrophobicContact CG-CE2 4.14Å; Q95-F97 VanDerWaalsContact C-N 3.28Å; Q95-F97 PolarHBondContact O-N 3.39Å; F97-F189 HydrophobicContact CE2-CD2 4.01Å; F97-F189 HydrophobicContact CE2-CE2 4.34Å; F97-F189 HydrophobicContact CZ-CD2 4.45Å; F97-Y198 AromaticContact CD2-CD1 3.63Å; F97-Y198 HydrophobicContact CD2-CD1 3.63Å; F97-Y198 HydrophobicContact CD2-CE1 4.39Å; F97-Y198 HydrophobicContact CD2-CG 4.2Å; F97-Y198 AromaticContact CE2-CD1 3.94Å; F97-Y198 HydrophobicContact CE2-CD1 3.94Å; F97-Y198 HydrophobicContact CE2-CE1 4.33Å; F97-V199 CarbonylContact C-O 3.56Å; F97-V199 WeakPolarHBondContact CA-O 3.44Å; F97-V199 WeakPolarHBondContact CB-O 3.31Å; F97-W200 HydrophobicContact CB-CE3 4.4Å; F97-W200 HydrophobicContact CD1-CH2 4.48Å; F97-W200 HydrophobicContact CD1-CZ3 4.03Å |
| 98 | Q | 91.1 | Very high | 82.5 | Confident | 50 Ų | 50 | 64.7 Ų | 64.7 | 23% | 0.234 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 154.5 | 179.6 | -90.9 | 166.3 | 33.8 | 0 | 0 | 111.8 | Y198 V199 I201 | Q98-Y198 CarbonylContact O-C 3.58Å; Q98-Y198 WeakPolarHBondContact O-CA 3.42Å; Q98-V199 PolarHBondContact N-O 2.99Å; Q98-V199 PolarHBondContact O-N 3.22Å; Q98-I201 HydrophobicContact CB-CD1 3.82Å; Q98-I201 VanDerWaalsContact CD-CD1 3.42Å; Q98-I201 HydrophobicContact CG-CD1 3.42Å; Q98-I201 VanDerWaalsContact CG-CD1 3.42Å |
| 99 | R | 91.5 | Very high | 80 | Confident | 16 Ų | 16 | 74 Ų | 74 | 6% | 0.06 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 127.6 | 176.2 | -167.3 | -174.9 | 179.6 | 176.8 | 4 | 110.2 | F92 V184 E186 Q187 D193 T196 Y198 | F92-R99 HydrophobicContact CE2-CB 4.23Å; R99-V184 HydrophobicContact CG-CB 4.35Å; R99-V184 HydrophobicContact CG-CG2 4.3Å; R99-V184 PolarHBondContact O-N 3.08Å; R99-E186 WeakPolarHBondContact CD-O 3.36Å; R99-Q187 PolarHBondContact O-NE2 3.26Å; R99-D193 IonicContact CZ-OD2 2.58Å; R99-D193 IonicContact NH2-OD2 2.69Å; R99-D193 PolarHBondContact NH2-OD2 3.18Å; R99-T196 HydrophobicContact CG-CG2 3.41Å; R99-T196 VanDerWaalsContact CG-CG2 3.41Å; R99-T196 VanDerWaalsContact NE-CG2 3.27Å; R99-T196 PolarHBondContact NE-OG1 3.33Å; R99-T196 PolarHBondContact NH2-OG1 3.19Å; R99-Y198 HydrophobicContact CB-CD1 4.4Å; R99-Y198 HydrophobicContact CB-CE1 3.97Å; R99-Y198 HydrophobicContact CG-CE1 4.11Å |
| 100 | A | 90.6 | Very high | 77.4 | Confident | 1 Ų | 1 | 79.6 Ų | 79.6 | 1% | 0.008 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 148 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | L181 E182 F197 V199 | A100-L181 HydrophobicContact CB-CB 4.11Å; A100-L181 HydrophobicContact CB-CD2 3.9Å; A100-E182 CarbonylContact C-O 3.54Å; A100-E182 VanDerWaalsContact CA-O 3.28Å; A100-E182 WeakPolarHBondContact CA-O 3.48Å; A100-F197 CarbonylContact C-O 3.58Å; A100-F197 PolarHBondContact N-O 2.91Å; A100-F197 CarbonylContact O-C 3.56Å; A100-F197 PolarHBondContact O-N 2.85Å; A100-V199 HydrophobicContact CB-CG2 3.61Å |
| 101 | V | 88.6 | Confident | 75.1 | Confident | 47 Ų | 47 | 87.8 Ų | 87.8 | 29% | 0.285 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 148.2 | 178.6 | 168.9 | 0 | 0 | 0 | 0 | 110 | V103 L181 E182 V184 | V101-V103 PolarHBondContact O-N 2.92Å; V101-L181 WeakPolarHBondContact O-CA 3.18Å; V101-E182 PolarHBondContact N-O 3.4Å; V101-E182 PolarHBondContact O-N 3.39Å; V101-E182 VanDerWaalsContact O-N 3.07Å; V101-V184 HydrophobicContact CB-CG2 3.83Å; V101-V184 HydrophobicContact CG2-CG2 3.28Å |
| 102 | R | 85.3 | Confident | 72.9 | Confident | 87 Ų | 87 | 96.5 Ų | 96.5 | 33% | 0.328 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 119.4 | 174.5 | -173.4 | 173.8 | -163.6 | 154.7 | 9 | 110.5 | K104 E168 M179 F197 | R102-K104 PolarHBondContact O-N 3.08Å; R102-E168 IonicContact CZ-OE2 3.85Å; R102-E168 IonicContact NH1-OE1 2.76Å; R102-E168 IonicContact NH1-OE2 3.17Å; R102-E168 PolarHBondContact NH1-OE2 3.26Å; R102-E168 IonicContact NH2-OE1 3.79Å; R102-E168 IonicContact NH2-OE2 2.7Å; R102-M179 HydrophobicContact CB-CE 3.32Å; R102-M179 HydrophobicContact CB-SD 3.99Å; R102-M179 WeakPolarHBondContact CD-SD 3.35Å; R102-M179 HydrophobicContact CG-CE 3.45Å; R102-M179 VanDerWaalsContact CG-CE 3.45Å; R102-M179 HydrophobicContact CG-CG 3.77Å; R102-M179 HydrophobicContact CG-SD 3.45Å; R102-M179 WeakPolarHBondContact CG-SD 3.38Å; R102-M179 PolarHBondContact NE-SD 2.98Å; R102-F197 HydrophobicContact CB-CE2 4.08Å |
| 103 | V | 82.9 | Confident | 70.6 | Confident | 59 Ų | 59 | 102.5 Ų | 102.5 | 36% | 0.358 | 48% | 0.484 | S | S | . | . | trans | -74.6 | 102 | 168.4 | -174.3 | 0 | 0 | 0 | 0 | 108.4 | V101 K105 R180 E182 | V101-V103 PolarHBondContact O-N 2.92Å; V103-K105 PolarHBondContact O-N 2.85Å; V103-R180 PolarHBondContact N-O 3.43Å; V103-R180 VanDerWaalsContact N-O 3.14Å; V103-E182 HydrophobicContact CG2-CB 3.39Å | ||
| 104 | K | 76.6 | Confident | 68.4 | Low | 154 Ų | 154 | 99.5 Ų | 99.5 | 67% | 0.67 | 48% | 0.482 | S | S | * | . | trans | -69.3 | 114.7 | 164.1 | -67.6 | -178.9 | -176.8 | 174.3 | 0 | 106.6 | R102 K106 | R102-K104 PolarHBondContact O-N 3.08Å; K104-K106 PolarHBondContact O-N 3.36Å | ||
| 105 | K | 66.9 | Low | 66.3 | Low | 154 Ų | 154 | 107.7 Ų | 107.7 | 67% | 0.67 | 52% | 0.517 | S | S | * | . | trans | -56 | 113.6 | 171.1 | -71.8 | -177 | 178.6 | -179.6 | 0 | 107.4 | V103 | V103-K105 PolarHBondContact O-N 2.85Š| ||
| 106 | K | 55.5 | Low | 63.8 | Low | 188 Ų | 188 | 108.1 Ų | 108.1 | 82% | 0.817 | 53% | 0.53 | S | S | * | . | trans | -55.3 | 132.1 | 164.5 | -77.6 | -179.7 | 179.3 | 175.8 | 0 | 106.6 | K104 T108 | K104-K106 PolarHBondContact O-N 3.36Å; K106-T108 PolarHBondContact O-N 3.32Å | ||
| 107 | P | 52.7 | Low | 61.6 | Low | 112 Ų | 112 | 116.1 Ų | 116.1 | 73% | 0.727 | 57% | 0.572 | S | S | * | * | trans | -60 | 112 | 169.9 | 25.4 | -31.1 | 0 | 0 | 0 | 106.5 | K109 | P107-K109 PolarHBondContact O-N 3.41Š| ||
| 108 | T | 45 | Very low | 59.2 | Low | 136 Ų | 136 | 125.8 Ų | 125.8 | 83% | 0.834 | 61% | 0.614 | S | S | * | * | trans | -63.6 | 89.9 | 170.1 | 29.7 | 0 | 0 | 0 | 0 | 107.9 | K106 H110 | K106-T108 PolarHBondContact O-N 3.32Å; T108-H110 PolarHBondContact O-N 2.93Å | ||
| 109 | K | 40.2 | Very low | 56.5 | Low | 196 Ų | 196 | 129.3 Ų | 129.3 | 85% | 0.852 | 64% | 0.641 | S | S | * | * | trans | -73.4 | 76.6 | 158.7 | -75.7 | -172.1 | 175.9 | -175.1 | 0 | 107.7 | P107 | P107-K109 PolarHBondContact O-N 3.41Š| ||
| 110 | H | 37.6 | Very low | 53.6 | Low | 157 Ų | 157 | 138.2 Ų | 138.2 | 73% | 0.727 | 68% | 0.68 | S | S | * | * | trans | 173.9 | 107.3 | 156 | -119.1 | -88.2 | 0 | 0 | 0 | 107.9 | T108 | T108-H110 PolarHBondContact O-N 2.93Š| ||
| 111 | R | 41.7 | Very low | 51 | Low | 219 Ų | 219 | 146 Ų | 146 | 83% | 0.826 | 72% | 0.721 | S | S | * | * | trans | 178.8 | 55.7 | 130.3 | -161 | 171 | 178.3 | 166.2 | 0 | 109.7 | ||||
| 112 | E | 45 | Very low | 48.4 | Very low | 185 Ų | 185 | 152.7 Ų | 152.7 | 86% | 0.864 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -98 | -17.8 | 164.4 | -73.8 | -170.1 | 147.9 | 0 | 0 | 112.4 | A114 | E112-A114 PolarHBondContact O-N 2.91Š|
| 113 | D | 42.8 | Very low | 45.9 | Very low | 135 Ų | 135 | 159 Ų | 159 | 72% | 0.722 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.6 | 65.1 | 178.8 | -49.4 | -53 | 0 | 0 | 0 | 112.4 | ||
| 114 | A | 44.3 | Very low | 43.7 | Very low | 66 Ų | 66 | 163.5 Ų | 163.5 | 55% | 0.545 | 80% | 0.797 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -155.9 | 12.2 | 168.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | E112 | E112-A114 PolarHBondContact O-N 2.91Š|
| 115 | K | 43.5 | Very low | 41.7 | Very low | 207 Ų | 207 | 162.6 Ų | 162.6 | 90% | 0.9 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -121.8 | -3.1 | 177.3 | -86.8 | -175.8 | 177.4 | 179.8 | 0 | 115.7 | L117 | K115-L117 PolarHBondContact O-N 3.06Š|
| 116 | S | 37.4 | Very low | 40.1 | Very low | 96 Ų | 96 | 163.2 Ų | 163.2 | 67% | 0.671 | 82% | 0.815 | S | S | * | * | S | Bend | trans | -86 | 104.5 | 161.9 | 52.8 | 0 | 0 | 0 | 0 | 108.3 | ||
| 117 | L | 43 | Very low | 39.2 | Very low | 173 Ų | 173 | 157.3 Ų | 157.3 | 91% | 0.906 | 81% | 0.808 | S | S | * | * | trans | 149.4 | 66 | 159.6 | -79.6 | 162.9 | 0 | 0 | 0 | 110 | K115 | K115-L117 PolarHBondContact O-N 3.06Š| ||
| 118 | K | 40.7 | Very low | 38.2 | Very low | 204 Ų | 204 | 161 Ų | 161 | 89% | 0.887 | 81% | 0.812 | S | S | * | * | trans | -140.4 | 120.3 | 147.5 | -74.7 | -162.1 | 177.7 | -176.9 | 0 | 109.5 | ||||
| 119 | P | 34.8 | Very low | 37.4 | Very low | 124 Ų | 124 | 161.9 Ų | 161.9 | 81% | 0.805 | 81% | 0.81 | S | S | * | * | trans | -81.2 | 141.5 | -172 | 32.3 | -32.9 | 0 | 0 | 0 | 112.3 | ||||
| 120 | K | 31.5 | Very low | 37.2 | Very low | 202 Ų | 202 | 158.6 Ų | 158.6 | 88% | 0.878 | 81% | 0.807 | S | S | * | * | trans | 17.1 | 114.7 | 148.1 | -63.4 | -177.7 | 176.6 | 176.7 | 0 | 118.1 | ||||
| 121 | L | 34.8 | Very low | 36.9 | Very low | 164 Ų | 164 | 155.6 Ų | 155.6 | 86% | 0.859 | 80% | 0.803 | S | S | * | * | trans | -150 | 98.7 | 133.2 | -152.8 | 67.7 | 0 | 0 | 0 | 112.5 | ||||
| 122 | K | 34.3 | Very low | 36.5 | Very low | 189 Ų | 189 | 150.1 Ų | 150.1 | 82% | 0.822 | 80% | 0.798 | S | S | * | * | trans | 22.1 | 114.6 | 143.2 | -60.2 | 175.6 | 179.1 | 178.9 | 0 | 118.4 | ||||
| 123 | K | 33.7 | Very low | 36 | Very low | 218 Ų | 218 | 149.4 Ų | 149.4 | 95% | 0.948 | 79% | 0.793 | S | S | * | * | -149.7 | 124.5 | 125.3 | -114.8 | 174.8 | -177.5 | -179.7 | 0 | 110.1 | |||||
| 124 | L | 36.5 | Very low | 35.6 | Very low | 154 Ų | 154 | 149.1 Ų | 149.1 | 81% | 0.806 | 79% | 0.791 | S | S | * | * | trans | -78.1 | 173.7 | -177.7 | -81.6 | 149.6 | 0 | 0 | 0 | 111.5 | ||||
| 125 | T | 34 | Very low | 35.2 | Very low | 135 Ų | 135 | 151.6 Ų | 151.6 | 83% | 0.828 | 80% | 0.799 | S | S | * | * | trans | 93.5 | 132 | 169.6 | 71.3 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 126 | D | 34 | Very low | 34.9 | Very low | 168 Ų | 168 | 148 Ų | 148 | 90% | 0.898 | 79% | 0.794 | S | S | * | * | cis | -170.4 | 151.2 | -25.9 | -144.4 | -28 | 0 | 0 | 0 | 104.9 | ||||
| 127 | G | 35.5 | Very low | 34.4 | Very low | 64 Ų | 64 | 150.8 Ų | 150.8 | 66% | 0.66 | 80% | 0.801 | S | S | * | * | trans | 110 | 91.2 | 157.9 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 128 | K | 31.3 | Very low | 34.1 | Very low | 188 Ų | 188 | 147.5 Ų | 147.5 | 82% | 0.817 | 80% | 0.799 | S | S | * | * | 70.4 | 98.8 | 124 | -140 | 174.4 | -168.1 | -172.2 | 0 | 118.9 | |||||
| 129 | I | 29 | Very low | 33.5 | Very low | 155 Ų | 155 | 143.3 Ų | 143.3 | 80% | 0.795 | 79% | 0.791 | S | S | * | * | 69.5 | 137.3 | 70.8 | -50.9 | 168 | 0 | 0 | 0 | 114.5 | |||||
| 130 | V | 36.4 | Very low | 33.5 | Very low | 128 Ų | 128 | 142.1 Ų | 142.1 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | trans | 115.8 | 128.9 | 149.8 | -178.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 131 | S | 30.4 | Very low | 33.4 | Very low | 93 Ų | 93 | 139.4 Ų | 139.4 | 65% | 0.65 | 78% | 0.781 | S | S | * | * | cis | 174.7 | 161.8 | -4 | 177.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 132 | S | 34.4 | Very low | 33.6 | Very low | 104 Ų | 104 | 140.8 Ų | 140.8 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | trans | 80.4 | 141.4 | 145.8 | -70.7 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 133 | K | 34 | Very low | 33.4 | Very low | 171 Ų | 171 | 139 Ų | 139 | 74% | 0.743 | 78% | 0.782 | S | S | * | * | cis | 179.4 | 160.8 | -9.3 | -145.6 | -178.4 | 171.9 | 167.2 | 0 | 108.5 | ||||
| 134 | N | 34.5 | Very low | 33.5 | Very low | 128 Ų | 128 | 136.5 Ų | 136.5 | 68% | 0.684 | 78% | 0.779 | S | S | * | * | trans | 84.4 | 142.5 | 151.7 | -65.7 | -16.9 | 0 | 0 | 0 | 119.8 | ||||
| 135 | V | 34.8 | Very low | 33.3 | Very low | 118 Ų | 118 | 133.9 Ų | 133.9 | 72% | 0.715 | 77% | 0.773 | S | S | * | * | cis | 158.3 | 157.5 | -20.6 | 148.3 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 136 | V | 38.2 | Very low | 33.5 | Very low | 133 Ų | 133 | 131.8 Ų | 131.8 | 81% | 0.806 | 76% | 0.764 | S | S | * | * | trans | 98.6 | 110.7 | 173.4 | -51 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 137 | D | 26.8 | Very low | 33.8 | Very low | 153 Ų | 153 | 132 Ų | 132 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | cis | 79.8 | 112.1 | 23.7 | -144.4 | 17.8 | 0 | 0 | 0 | 115.8 | ||||
| 138 | A | 37 | Very low | 33.8 | Very low | 104 Ų | 104 | 135.5 Ų | 135.5 | 86% | 0.86 | 76% | 0.763 | S | S | * | * | trans | 179.8 | 129.1 | 150.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 139 | T | 27.6 | Very low | 34.1 | Very low | 116 Ų | 116 | 131.6 Ų | 131.6 | 71% | 0.712 | 76% | 0.757 | S | S | * | * | trans | -101.5 | 176.3 | -171.9 | -63.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 140 | S | 35.7 | Very low | 34.4 | Very low | 100 Ų | 100 | 132.1 Ų | 132.1 | 70% | 0.699 | 76% | 0.761 | S | S | * | * | trans | 112.1 | 104.2 | 152.2 | -55.4 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 141 | D | 28.7 | Very low | 34.6 | Very low | 145 Ų | 145 | 130.4 Ų | 130.4 | 78% | 0.775 | 76% | 0.755 | S | S | * | * | 77.6 | 117.1 | 78.7 | -70.4 | -40.6 | 0 | 0 | 0 | 113.2 | |||||
| 142 | E | 38.6 | Very low | 35 | Very low | 192 Ų | 192 | 134.9 Ų | 134.9 | 90% | 0.897 | 76% | 0.763 | S | S | * | * | 165.8 | 144.7 | 127.8 | -82.3 | -127.1 | 104 | 0 | 0 | 113.5 | |||||
| 143 | N | 30.2 | Very low | 35 | Very low | 152 Ų | 152 | 135.4 Ų | 135.4 | 81% | 0.813 | 77% | 0.766 | S | S | * | * | trans | -71.7 | 162.3 | -178.2 | -79.4 | -63.9 | 0 | 0 | 0 | 113.9 | ||||
| 144 | L | 36.4 | Very low | 34.9 | Very low | 166 Ų | 166 | 133.1 Ų | 133.1 | 87% | 0.869 | 77% | 0.769 | S | S | * | * | 161.6 | 116.6 | 108.7 | -163.1 | 67.5 | 0 | 0 | 0 | 113.9 | |||||
| 145 | S | 32.7 | Very low | 35 | Very low | 99 Ų | 99 | 137.1 Ų | 137.1 | 69% | 0.692 | 78% | 0.78 | S | S | * | * | trans | 11.5 | 135.3 | 144.6 | -170 | 0 | 0 | 0 | 0 | 122 | ||||
| 146 | S | 37.6 | Very low | 34.9 | Very low | 91 Ų | 91 | 139.3 Ų | 139.3 | 64% | 0.636 | 78% | 0.781 | S | S | * | * | 153.8 | 130.4 | 102.9 | -54.5 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 147 | Q | 39.3 | Very low | 35.1 | Very low | 172 Ų | 172 | 135.8 Ų | 135.8 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | trans | 57.1 | 140.9 | 142.4 | -66.9 | 173.5 | 8.3 | 0 | 0 | 119.7 | ||||
| 148 | D | 36.2 | Very low | 36 | Very low | 138 Ų | 138 | 134.8 Ų | 134.8 | 74% | 0.738 | 76% | 0.764 | S | S | * | * | cis | -163.9 | 166.3 | 1.5 | -99.3 | -38.7 | 0 | 0 | 0 | 107.1 | ||||
| 149 | P | 37.7 | Very low | 36.3 | Very low | 106 Ų | 106 | 134.2 Ų | 134.2 | 69% | 0.688 | 75% | 0.747 | S | S | * | * | trans | -101.6 | 147.1 | -163.6 | 36.7 | -29.5 | 0 | 0 | 0 | 114.4 | ||||
| 150 | D | 35 | Very low | 37.2 | Very low | 165 Ų | 165 | 132.8 Ų | 132.8 | 88% | 0.882 | 74% | 0.741 | S | S | * | * | trans | -175.9 | 146.7 | 139.3 | -106.4 | -32.7 | 0 | 0 | 0 | 116.5 | ||||
| 151 | S | 40.1 | Very low | 37.8 | Very low | 92 Ų | 92 | 129.9 Ų | 129.9 | 64% | 0.643 | 72% | 0.721 | S | S | * | * | trans | 81.1 | 108.1 | 156.6 | -100.5 | 0 | 0 | 0 | 0 | 123 | ||||
| 152 | K | 40.2 | Very low | 38.7 | Very low | 187 Ų | 187 | 125.3 Ų | 125.3 | 81% | 0.813 | 70% | 0.696 | S | S | * | * | 97.9 | 107 | 129.6 | -68.3 | 170.4 | -174.9 | 174.3 | 0 | 121.3 | |||||
| 153 | S | 34 | Very low | 39.3 | Very low | 115 Ų | 115 | 119 Ų | 119 | 80% | 0.804 | 67% | 0.673 | S | S | * | * | trans | 95.1 | 118.8 | 134.9 | 74.6 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 154 | P | 31.7 | Very low | 40.6 | Very low | 123 Ų | 123 | 115.1 Ų | 115.1 | 80% | 0.799 | 66% | 0.658 | S | S | * | * | trans | -106.9 | 117.6 | 177.4 | 35.5 | -24.2 | 0 | 0 | 0 | 112 | ||||
| 155 | K | 35.8 | Very low | 41.4 | Very low | 212 Ų | 212 | 108 Ų | 108 | 92% | 0.922 | 62% | 0.621 | S | S | * | * | trans | -150.9 | 147.5 | 161.6 | -65 | -173.3 | -178.1 | 165.5 | 0 | 109.3 | ||||
| 156 | F | 33.5 | Very low | 42.5 | Very low | 164 Ų | 164 | 107.4 Ų | 107.4 | 72% | 0.719 | 61% | 0.61 | S | S | * | * | trans | 108.2 | 61.5 | 164.8 | -140.2 | -85.2 | 0 | 0 | 0 | 118.2 | L159 | F156-L159 HydrophobicContact CD1-CB 4.43Å; F156-L159 HydrophobicContact CD2-CD1 3.6Å; F156-L159 HydrophobicContact CE1-CB 3.73Å; F156-L159 HydrophobicContact CE1-CD1 4.27Å; F156-L159 HydrophobicContact CE2-CB 4.07Å; F156-L159 HydrophobicContact CE2-CD1 3.01Å; F156-L159 HydrophobicContact CE2-CG 4.11Å; F156-L159 HydrophobicContact CG-CD1 4.45Å; F156-L159 HydrophobicContact CZ-CB 3.52Å; F156-L159 HydrophobicContact CZ-CD1 3.4Å; F156-L159 HydrophobicContact CZ-CG 4.06Å | ||
| 157 | G | 41.4 | Very low | 43.4 | Very low | 59 Ų | 59 | 107.5 Ų | 107.5 | 61% | 0.608 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -115.6 | -11.7 | 165.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 158 | I | 45.9 | Very low | 44.3 | Very low | 132 Ų | 132 | 101.5 Ų | 101.5 | 68% | 0.677 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -96.1 | -23 | -169.4 | -63.8 | 170 | 0 | 0 | 0 | 112.7 | S160 S161 I162 | I158-S160 PolarHBondContact O-N 3.36Å; I158-S161 PolarHBondContact O-OG 2.93Å; I158-I162 HydrophobicContact CG2-CD1 4.06Å |
| 159 | L | 43.3 | Very low | 45.3 | Very low | 93 Ų | 93 | 95.7 Ų | 95.7 | 49% | 0.487 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -76.2 | -19.8 | -173.9 | -77.7 | 159.6 | 0 | 0 | 0 | 114.1 | F156 I162 S163 | F156-L159 HydrophobicContact CD1-CB 4.43Å; F156-L159 HydrophobicContact CD2-CD1 3.6Å; F156-L159 HydrophobicContact CE1-CB 3.73Å; F156-L159 HydrophobicContact CE1-CD1 4.27Å; F156-L159 HydrophobicContact CE2-CB 4.07Å; F156-L159 HydrophobicContact CE2-CD1 3.01Å; F156-L159 HydrophobicContact CE2-CG 4.11Å; F156-L159 HydrophobicContact CG-CD1 4.45Å; F156-L159 HydrophobicContact CZ-CB 3.52Å; F156-L159 HydrophobicContact CZ-CD1 3.4Å; F156-L159 HydrophobicContact CZ-CG 4.06Å; L159-I162 HydrophobicContact CD2-CD1 4.3Å; L159-S163 PolarHBondContact O-N 3.23Å |
| 160 | S | 48.1 | Very low | 46.2 | Very low | 86 Ų | 86 | 95.3 Ų | 95.3 | 60% | 0.601 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -73.1 | -36 | 179.9 | 60.6 | 0 | 0 | 0 | 0 | 113.4 | I158 S164 | I158-S160 PolarHBondContact O-N 3.36Å; S160-S164 PolarHBondContact O-N 3.08Å |
| 161 | S | 47.7 | Very low | 47.1 | Very low | 38 Ų | 38 | 94.6 Ų | 94.6 | 27% | 0.266 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -72.6 | -36.3 | 178.1 | 61.7 | 0 | 0 | 0 | 0 | 111.8 | I158 S164 S165 | I158-S161 PolarHBondContact O-OG 2.93Å; S161-S164 PolarHBondContact O-N 3.45Å; S161-S164 PolarHBondContact O-OG 3.02Å; S161-S165 PolarHBondContact O-N 3Å |
| 162 | I | 47.1 | Very low | 47.6 | Very low | 50 Ų | 50 | 99.9 Ų | 99.9 | 26% | 0.256 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -61.3 | -47.3 | 177.8 | -63.9 | 168.4 | 0 | 0 | 0 | 110.5 | I158 L159 S164 S165 I166 P194 | I158-I162 HydrophobicContact CG2-CD1 4.06Å; L159-I162 HydrophobicContact CD2-CD1 4.3Å; I162-S164 VanDerWaalsContact C-N 3.28Å; I162-S164 PolarHBondContact O-N 2.96Å; I162-S165 PolarHBondContact O-N 3.38Å; I162-I166 HydrophobicContact CG2-CD1 3.65Å; I162-I166 WeakPolarHBondContact O-CG1 3.08Å; I162-I166 PolarHBondContact O-N 3.18Å; I162-P194 HydrophobicContact CG1-CB 4.03Å; I162-P194 HydrophobicContact CG1-CG 3.96Å |
| 163 | S | 52.2 | Low | 48.3 | Very low | 59 Ų | 59 | 94.8 Ų | 94.8 | 41% | 0.413 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.5 | -36.6 | 178.4 | -172.2 | 0 | 0 | 0 | 0 | 112.3 | L159 N167 | L159-S163 PolarHBondContact O-N 3.23Å; S163-N167 VanDerWaalsContact O-CB 3.26Å; S163-N167 WeakPolarHBondContact O-CB 3.14Å; S163-N167 PolarHBondContact O-N 2.95Å; S163-N167 PolarHBondContact O-ND2 3.26Å; S163-N167 PolarHBondContact OG-ND2 2.96Å |
| 164 | S | 56.5 | Low | 49.5 | Very low | 71 Ų | 71 | 95.1 Ų | 95.1 | 50% | 0.497 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -69.3 | -37.7 | 179 | 73.2 | 0 | 0 | 0 | 0 | 114 | S160 S161 I162 E168 | S160-S164 PolarHBondContact O-N 3.08Å; S161-S164 PolarHBondContact O-N 3.45Å; S161-S164 PolarHBondContact O-OG 3.02Å; I162-S164 VanDerWaalsContact C-N 3.28Å; I162-S164 PolarHBondContact O-N 2.96Å; S164-E168 PolarHBondContact O-N 3.23Å |
| 165 | S | 52.9 | Low | 50.7 | Low | 15 Ų | 15 | 96.4 Ų | 96.4 | 11% | 0.105 | 53% | 0.531 | C | S | . | . | H | α-helix | trans | -68.1 | -40.7 | 176.7 | -74.1 | 0 | 0 | 0 | 0 | 111.9 | S161 I162 P194 | S161-S165 PolarHBondContact O-N 3Å; I162-S165 PolarHBondContact O-N 3.38Å; S165-P194 WeakPolarHBondContact CB-O 3.24Å; S165-P194 PolarHBondContact OG-O 2.7Å |
| 166 | I | 56.6 | Low | 52.3 | Low | 88 Ų | 88 | 92.7 Ų | 92.7 | 45% | 0.451 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -71.8 | -46.1 | -178.8 | -63.5 | 170.5 | 0 | 0 | 0 | 110.5 | I162 E168 F169 | I162-I166 HydrophobicContact CG2-CD1 3.65Å; I162-I166 WeakPolarHBondContact O-CG1 3.08Å; I162-I166 PolarHBondContact O-N 3.18Å; I166-E168 PolarHBondContact O-N 3.47Å; I166-F169 PolarHBondContact O-N 2.99Å |
| 167 | N | 55.8 | Low | 54.4 | Low | 92 Ų | 92 | 94.1 Ų | 94.1 | 49% | 0.492 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.8 | -24.4 | 179.8 | -72.4 | -17.8 | 0 | 0 | 0 | 113.2 | S163 F169 T170 | S163-N167 VanDerWaalsContact O-CB 3.26Å; S163-N167 WeakPolarHBondContact O-CB 3.14Å; S163-N167 PolarHBondContact O-N 2.95Å; S163-N167 PolarHBondContact O-ND2 3.26Å; S163-N167 PolarHBondContact OG-ND2 2.96Å; N167-F169 PolarHBondContact O-N 3.46Å; N167-T170 PolarHBondContact O-OG1 3.14Å |
| 168 | E | 58.2 | Low | 56 | Low | 47 Ų | 47 | 93.9 Ų | 93.9 | 22% | 0.22 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -65.8 | -29.4 | 175 | -160.4 | 168 | -172.3 | 0 | 0 | 110.4 | K40 R102 S164 I166 K176 | K40-E168 WeakPolarHBondContact CE-O 3.34Å; K40-E168 PolarHBondContact NZ-O 3.34Å; R102-E168 IonicContact CZ-OE2 3.85Å; R102-E168 IonicContact NH1-OE1 2.76Å; R102-E168 IonicContact NH1-OE2 3.17Å; R102-E168 PolarHBondContact NH1-OE2 3.26Å; R102-E168 IonicContact NH2-OE1 3.79Å; R102-E168 IonicContact NH2-OE2 2.7Å; S164-E168 PolarHBondContact O-N 3.23Å; I166-E168 PolarHBondContact O-N 3.47Å; E168-K176 IonicContact OE1-NZ 2.66Å; E168-K176 PolarHBondContact OE1-NZ 2.97Å |
| 169 | F | 56.8 | Low | 57.6 | Low | 15 Ų | 15 | 89.1 Ų | 89.1 | 7% | 0.066 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -75.5 | -25.1 | -175.2 | -96.6 | -92.6 | 0 | 0 | 0 | 114.6 | K40 I51 V53 I166 N167 F197 | K40-F169 HydrophobicContact CB-CE1 4.05Å; K40-F169 HydrophobicContact CB-CZ 4.18Å; K40-F169 HydrophobicContact CD-CD1 4.16Å; K40-F169 HydrophobicContact CD-CD2 4.25Å; K40-F169 HydrophobicContact CD-CE1 3.93Å; K40-F169 HydrophobicContact CD-CE2 3.97Å; K40-F169 HydrophobicContact CD-CG 4.31Å; K40-F169 HydrophobicContact CD-CZ 3.83Å; K40-F169 VanDerWaalsContact CE-CA 3.47Å; K40-F169 HydrophobicContact CG-CD1 4.03Å; K40-F169 HydrophobicContact CG-CE1 3.75Å; K40-F169 HydrophobicContact CG-CZ 4.09Å; K40-F169 VanDerWaalsContact NZ-CG 3.34Å; I51-F169 HydrophobicContact CG2-CZ 4.49Å; V53-F169 HydrophobicContact CG2-CD1 4.36Å; V53-F169 HydrophobicContact CG2-CD2 3.62Å; V53-F169 HydrophobicContact CG2-CE1 4.15Å; V53-F169 HydrophobicContact CG2-CE2 3.42Å; V53-F169 VanDerWaalsContact CG2-CE2 3.42Å; V53-F169 HydrophobicContact CG2-CG 4.13Å; V53-F169 HydrophobicContact CG2-CZ 3.7Å; I166-F169 PolarHBondContact O-N 2.99Å; N167-F169 PolarHBondContact O-N 3.46Å; F169-F197 HydrophobicContact CD2-CE1 4.45Å; F169-F197 AromaticContact CE2-CD1 3.84Å; F169-F197 HydrophobicContact CE2-CD1 3.84Å; F169-F197 AromaticContact CE2-CE1 3.55Å; F169-F197 HydrophobicContact CE2-CE1 3.55Å; F169-F197 HydrophobicContact CZ-CD1 4.13Å; F169-F197 HydrophobicContact CZ-CE1 4.3Å |
| 170 | T | 56.5 | Low | 59.3 | Low | 98 Ų | 98 | 91.1 Ų | 91.1 | 60% | 0.601 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -88.1 | -19.9 | -175.4 | 54.8 | 0 | 0 | 0 | 0 | 113.8 | N167 | N167-T170 PolarHBondContact O-OG1 3.14Å |
| 171 | M | 54.3 | Low | 61.1 | Low | 151 Ų | 151 | 87.6 Ų | 87.6 | 74% | 0.744 | 46% | 0.46 | S | S | * | . | trans | -99.2 | 93.5 | -179.1 | -66.1 | -74.1 | 175.2 | 0 | 0 | 111.2 | S173 | M171-S173 VanDerWaalsContact C-N 3.25Å; M171-S173 PolarHBondContact O-N 3.36Å | ||
| 172 | K | 51.8 | Low | 62.9 | Low | 202 Ų | 202 | 91.8 Ų | 91.8 | 88% | 0.878 | 48% | 0.475 | S | S | * | . | trans | -66 | 79.9 | 168.9 | -73.4 | -179 | 179.8 | 176 | 0 | 110.3 | P174 | K172-P174 WeakPolarHBondContact O-CD 3.28Š| ||
| 173 | S | 54.5 | Low | 64.9 | Low | 81 Ų | 81 | 92.7 Ų | 92.7 | 57% | 0.566 | 48% | 0.48 | S | S | * | . | trans | -88.8 | 112.8 | 168.9 | -171 | 0 | 0 | 0 | 0 | 109.2 | M171 N175 | M171-S173 VanDerWaalsContact C-N 3.25Å; M171-S173 PolarHBondContact O-N 3.36Å; S173-N175 PolarHBondContact O-N 3.3Å | ||
| 174 | P | 59.2 | Low | 66.5 | Low | 121 Ų | 121 | 91.5 Ų | 91.5 | 79% | 0.786 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -6.7 | -171 | 25.9 | -34.6 | 0 | 0 | 0 | 114.8 | K172 | K172-P174 WeakPolarHBondContact O-CD 3.28Š|
| 175 | N | 56.7 | Low | 67.6 | Low | 150 Ų | 150 | 96 Ų | 96 | 80% | 0.802 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.2 | 11 | -170.7 | -73 | -46.7 | 0 | 0 | 0 | 115.1 | S173 | S173-N175 PolarHBondContact O-N 3.3Š|
| 176 | K | 69.7 | Low | 69 | Low | 135 Ų | 135 | 100.8 Ų | 100.8 | 59% | 0.587 | 51% | 0.509 | S | S | * | . | P | Polyproline II helix | trans | -85.3 | 126.2 | 179.3 | -158.7 | 173.6 | -170.7 | 179 | 0 | 110.8 | E168 | E168-K176 IonicContact OE1-NZ 2.66Å; E168-K176 PolarHBondContact OE1-NZ 2.97Å |
| 177 | K | 76.3 | Confident | 70.3 | Confident | 193 Ų | 193 | 99.7 Ų | 99.7 | 84% | 0.839 | 50% | 0.502 | S | S | * | . | P | Polyproline II helix | trans | -52.1 | 135.9 | 175.5 | -66.8 | 173.1 | -177.8 | 173.8 | 0 | 110.3 | M179 | K177-M179 PolarHBondContact O-N 3.16Š|
| 178 | P | 76.8 | Confident | 71.7 | Confident | 55 Ų | 55 | 100.5 Ų | 100.5 | 36% | 0.357 | 50% | 0.501 | S | S | . | . | P | Polyproline II helix | trans | -61.1 | 136.8 | -176.3 | 24.6 | -33.9 | 0 | 0 | 0 | 110.6 | R43 | R43-P178 HydrophobicContact CB-CB 4.33Å; R43-P178 HydrophobicContact CB-CG 4.42Å |
| 179 | M | 77.8 | Confident | 73 | Confident | 32 Ų | 32 | 99.2 Ų | 99.2 | 16% | 0.158 | 50% | 0.495 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 133.3 | -177.8 | -170.4 | 174.9 | 101.7 | 0 | 0 | 110.3 | G42 R43 R102 K177 L181 F197 | G42-M179 CarbonylContact C-O 3.56Å; G42-M179 WeakPolarHBondContact CA-O 3.46Å; R43-M179 PolarHBondContact N-O 3.29Å; R102-M179 HydrophobicContact CB-CE 3.32Å; R102-M179 HydrophobicContact CB-SD 3.99Å; R102-M179 WeakPolarHBondContact CD-SD 3.35Å; R102-M179 HydrophobicContact CG-CE 3.45Å; R102-M179 VanDerWaalsContact CG-CE 3.45Å; R102-M179 HydrophobicContact CG-CG 3.77Å; R102-M179 HydrophobicContact CG-SD 3.45Å; R102-M179 WeakPolarHBondContact CG-SD 3.38Å; R102-M179 PolarHBondContact NE-SD 2.98Å; K177-M179 PolarHBondContact O-N 3.16Å; M179-L181 HydrophobicContact CE-CD2 3.71Å; M179-L181 HydrophobicContact CE-CG 3.86Å; M179-L181 VanDerWaalsContact O-CD1 3.23Å; M179-L181 WeakPolarHBondContact O-CD1 3.02Å; M179-F197 HydrophobicContact CE-CD2 3.62Å; M179-F197 HydrophobicContact CE-CE2 3.55Å; M179-F197 HydrophobicContact CE-CG 4.45Å; M179-F197 HydrophobicContact CE-CZ 4.32Å; M179-F197 HydrophobicContact SD-CE2 4.46Å |
| 180 | R | 81 | Confident | 74.5 | Confident | 135 Ų | 135 | 99.9 Ų | 99.9 | 51% | 0.509 | 50% | 0.5 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 127.9 | 174.1 | -68.1 | -174 | -179 | 169.9 | -3.7 | 110 | R43 V103 | R43-R180 WeakPolarHBondContact O-CA 3.42Å; V103-R180 PolarHBondContact N-O 3.43Å; V103-R180 VanDerWaalsContact N-O 3.14Å |
| 181 | L | 85 | Confident | 75.9 | Confident | 11 Ų | 11 | 96.7 Ų | 96.7 | 6% | 0.058 | 48% | 0.479 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 155.7 | 175.7 | -55.8 | 102.7 | 0 | 0 | 0 | 110.8 | R43 L44 I51 A100 V101 M179 F197 | R43-L181 PolarHBondContact O-N 3.39Å; L44-L181 HydrophobicContact CD1-CB 4.04Å; L44-L181 WeakPolarHBondContact CD1-O 3.12Å; I51-L181 HydrophobicContact CD1-CD1 3.21Å; I51-L181 HydrophobicContact CD1-CD2 3.85Å; I51-L181 HydrophobicContact CD1-CG 4.14Å; I51-L181 HydrophobicContact CG1-CD1 4.21Å; I51-L181 HydrophobicContact CG1-CD2 4.35Å; I51-L181 HydrophobicContact CG2-CD2 4.46Å; A100-L181 HydrophobicContact CB-CB 4.11Å; A100-L181 HydrophobicContact CB-CD2 3.9Å; V101-L181 WeakPolarHBondContact O-CA 3.18Å; M179-L181 HydrophobicContact CE-CD2 3.71Å; M179-L181 HydrophobicContact CE-CG 3.86Å; M179-L181 VanDerWaalsContact O-CD1 3.23Å; M179-L181 WeakPolarHBondContact O-CD1 3.02Å; L181-F197 HydrophobicContact CD2-CB 4.12Å; L181-F197 HydrophobicContact CD2-CD2 4.27Å; L181-F197 HydrophobicContact CD2-CG 4.49Å |
| 182 | E | 86.1 | Confident | 77.1 | Confident | 127 Ų | 127 | 96.4 Ų | 96.4 | 59% | 0.593 | 48% | 0.481 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126 | 142.9 | 172.6 | -179.7 | 169.2 | -159.8 | 0 | 0 | 108.1 | A100 V101 V103 | A100-E182 CarbonylContact C-O 3.54Å; A100-E182 VanDerWaalsContact CA-O 3.28Å; A100-E182 WeakPolarHBondContact CA-O 3.48Å; V101-E182 PolarHBondContact N-O 3.4Å; V101-E182 PolarHBondContact O-N 3.39Å; V101-E182 VanDerWaalsContact O-N 3.07Å; V103-E182 HydrophobicContact CG2-CB 3.39Å |
| 183 | I | 87.7 | Confident | 78.5 | Confident | 69 Ų | 69 | 90.2 Ų | 90.2 | 35% | 0.354 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 132.1 | 177.8 | -54 | 179 | 0 | 0 | 0 | 107.1 | L44 Q187 | L44-I183 HydrophobicContact CD1-CD1 4.49Å; L44-I183 HydrophobicContact CD1-CG1 3.69Å; L44-I183 HydrophobicContact CD2-CD1 4.18Å; L44-I183 HydrophobicContact CD2-CG1 4.01Å; L44-I183 HydrophobicContact CG-CG1 4.22Å; I183-Q187 VanDerWaalsContact CG2-NE2 3.27Å |
| 184 | V | 85.6 | Confident | 79.6 | Confident | 34 Ų | 34 | 88.4 Ų | 88.4 | 21% | 0.206 | 44% | 0.444 | C | S | . | . | trans | -83.8 | 135.8 | 177.4 | -178.6 | 0 | 0 | 0 | 0 | 109.2 | R99 V101 E186 Q187 | R99-V184 HydrophobicContact CG-CB 4.35Å; R99-V184 HydrophobicContact CG-CG2 4.3Å; R99-V184 PolarHBondContact O-N 3.08Å; V101-V184 HydrophobicContact CB-CG2 3.83Å; V101-V184 HydrophobicContact CG2-CG2 3.28Å; V184-E186 VanDerWaalsContact C-N 3.3Å; V184-E186 HydrophobicContact CG1-CB 4.16Å; V184-E186 PolarHBondContact O-N 2.82Å; V184-Q187 PolarHBondContact O-NE2 3.19Å | ||
| 185 | D | 80.5 | Confident | 80.7 | Confident | 166 Ų | 166 | 86.2 Ų | 86.2 | 89% | 0.888 | 42% | 0.423 | S | S | * | . | S | Bend | trans | -64.3 | -37.2 | 178 | -61.3 | -38.2 | 0 | 0 | 0 | 111.9 | Q187 | D185-Q187 PolarHBondContact O-N 3.21Š|
| 186 | E | 82.4 | Confident | 82.1 | Confident | 115 Ų | 115 | 79.3 Ų | 79.3 | 54% | 0.537 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -75.4 | 86.3 | 172 | -70.1 | -166.8 | -169.4 | 0 | 0 | 112.4 | R99 V184 K188 | R99-E186 WeakPolarHBondContact CD-O 3.36Å; V184-E186 VanDerWaalsContact C-N 3.3Å; V184-E186 HydrophobicContact CG1-CB 4.16Å; V184-E186 PolarHBondContact O-N 2.82Å; E186-K188 PolarHBondContact O-N 2.92Å; E186-K188 VanDerWaalsContact OE2-CE 3.29Å; E186-K188 WeakPolarHBondContact OE2-CE 3.41Å; E186-K188 IonicContact OE2-NZ 3.53Å; E186-K188 PolarHBondContact OE2-NZ 2.74Å |
| 187 | Q | 83.7 | Confident | 83.1 | Confident | 64 Ų | 64 | 73.4 Ų | 73.4 | 30% | 0.299 | 36% | 0.36 | S | S | . | . | trans | -78.7 | 83.2 | 173 | -67.9 | -62.5 | -32.4 | 0 | 0 | 110.2 | F92 R99 I183 V184 D185 | F92-Q187 HydrophobicContact CE1-CB 3.88Å; F92-Q187 WeakPolarHBondContact CE1-O 3.47Å; F92-Q187 HydrophobicContact CZ-CB 3.55Å; F92-Q187 HydrophobicContact CZ-CG 4.34Å; R99-Q187 PolarHBondContact O-NE2 3.26Å; I183-Q187 VanDerWaalsContact CG2-NE2 3.27Å; V184-Q187 PolarHBondContact O-NE2 3.19Å; D185-Q187 PolarHBondContact O-N 3.21Å | ||
| 188 | K | 84.9 | Confident | 83.8 | Confident | 110 Ų | 110 | 64.2 Ų | 64.2 | 48% | 0.478 | 32% | 0.321 | S | S | . | . | trans | -133.7 | 147.4 | 167.4 | 54.1 | 171.6 | 179.4 | -156.6 | 0 | 110.9 | E186 V190 Y198 | E186-K188 PolarHBondContact O-N 2.92Å; E186-K188 VanDerWaalsContact OE2-CE 3.29Å; E186-K188 WeakPolarHBondContact OE2-CE 3.41Å; E186-K188 IonicContact OE2-NZ 3.53Å; E186-K188 PolarHBondContact OE2-NZ 2.74Å; K188-V190 HydrophobicContact CD-CG2 3.79Å; K188-V190 HydrophobicContact CG-CG2 3.74Å; K188-V190 PolarHBondContact O-N 2.67Å; K188-Y198 PolarHBondContact O-OH 3.3Å | ||
| 189 | F | 86.8 | Confident | 84.6 | Confident | 19 Ų | 19 | 61.9 Ų | 61.9 | 8% | 0.083 | 31% | 0.305 | C | S | . | . | trans | -76.8 | 117.2 | 172.5 | -172.3 | -102.2 | 0 | 0 | 0 | 109.3 | A54 V58 V85 M88 F97 Y198 | A54-F189 HydrophobicContact CB-CE2 3.79Å; A54-F189 HydrophobicContact CB-CZ 3.77Å; V58-F189 HydrophobicContact CG2-CE1 4.42Å; V58-F189 HydrophobicContact CG2-CZ 4.17Å; V85-F189 HydrophobicContact CB-CE1 4.46Å; V85-F189 HydrophobicContact CG1-CD1 4.05Å; V85-F189 HydrophobicContact CG1-CE1 4.05Å; V85-F189 HydrophobicContact CG2-CE1 4.42Å; M88-F189 HydrophobicContact CB-CD1 4Å; M88-F189 HydrophobicContact CB-CD2 4.24Å; M88-F189 HydrophobicContact CB-CE1 3.61Å; M88-F189 HydrophobicContact CB-CE2 3.87Å; M88-F189 HydrophobicContact CB-CG 4.3Å; M88-F189 HydrophobicContact CB-CZ 3.54Å; M88-F189 HydrophobicContact CE-CE2 3.9Å; M88-F189 HydrophobicContact CE-CZ 4.18Å; M88-F189 HydrophobicContact CG-CE1 4.35Å; M88-F189 HydrophobicContact CG-CE2 4.46Å; M88-F189 HydrophobicContact CG-CZ 3.97Å; F97-F189 HydrophobicContact CE2-CD2 4.01Å; F97-F189 HydrophobicContact CE2-CE2 4.34Å; F97-F189 HydrophobicContact CZ-CD2 4.45Å; F189-Y198 WeakPolarHBondContact CA-OH 3.36Å; F189-Y198 AromaticContact CD2-CE1 3.9Å; F189-Y198 HydrophobicContact CD2-CE1 3.9Å; F189-Y198 HydrophobicContact CD2-CE2 4.25Å; F189-Y198 AromaticContact CD2-CZ 3.7Å; F189-Y198 HydrophobicContact CE2-CE1 4.48Å; F189-Y198 HydrophobicContact CE2-CE2 4.16Å | ||
| 190 | V | 87.2 | Confident | 85.2 | Confident | 29 Ų | 29 | 61.3 Ų | 61.3 | 18% | 0.176 | 30% | 0.301 | C | S | . | . | trans | -131 | 127.3 | -178.3 | 179 | 0 | 0 | 0 | 0 | 107.7 | K188 D192 Y198 | K188-V190 HydrophobicContact CD-CG2 3.79Å; K188-V190 HydrophobicContact CG-CG2 3.74Å; K188-V190 PolarHBondContact O-N 2.67Å; V190-D192 HydrophobicContact CG1-CB 4.4Å; V190-Y198 PolarHBondContact N-OH 3.03Å; V190-Y198 PolarHBondContact O-OH 3.09Å | ||
| 191 | L | 85.7 | Confident | 85.7 | Confident | 32 Ų | 32 | 58.6 Ų | 58.6 | 17% | 0.168 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -86.2 | -28.5 | -177.4 | -167.4 | 60.8 | 0 | 0 | 0 | 112.5 | A54 M55 V58 V85 D193 | A54-L191 HydrophobicContact CB-CD1 3.98Å; M55-L191 HydrophobicContact CG-CD1 3.96Å; M55-L191 HydrophobicContact CG-CG 4.45Å; M55-L191 HydrophobicContact SD-CD1 3.34Å; M55-L191 WeakPolarHBondContact SD-CD1 3.49Å; M55-L191 HydrophobicContact SD-CD2 3.88Å; M55-L191 HydrophobicContact SD-CG 3.36Å; M55-L191 WeakPolarHBondContact SD-CG 3.27Å; V58-L191 HydrophobicContact CG2-CD1 3.99Å; V85-L191 HydrophobicContact CG2-CD2 4Å; L191-D193 PolarHBondContact O-N 3.14Å |
| 192 | D | 80.1 | Confident | 85.9 | Confident | 144 Ų | 144 | 60.3 Ų | 60.3 | 77% | 0.77 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -78.9 | -12.5 | -166.6 | -56.8 | -41.6 | 0 | 0 | 0 | 114.9 | V190 P194 | V190-D192 HydrophobicContact CG1-CB 4.4Å; D192-P194 VanDerWaalsContact O-CD 3.22Å; D192-P194 WeakPolarHBondContact O-CD 3.25Å |
| 193 | D | 81.4 | Confident | 85.9 | Confident | 72 Ų | 72 | 62.4 Ų | 62.4 | 39% | 0.385 | 31% | 0.312 | S | S | . | . | trans | -95.2 | 106.3 | -170.4 | -74.6 | -35.1 | 0 | 0 | 0 | 113.1 | R99 L191 H195 T196 | R99-D193 IonicContact CZ-OD2 2.58Å; R99-D193 IonicContact NH2-OD2 2.69Å; R99-D193 PolarHBondContact NH2-OD2 3.18Å; L191-D193 PolarHBondContact O-N 3.14Å; D193-H195 PolarHBondContact O-N 3.35Å; D193-H195 VanDerWaalsContact O-N 3.13Å; D193-T196 WeakPolarHBondContact CB-OG1 3.36Å; D193-T196 PolarHBondContact O-N 3.22Å; D193-T196 VanDerWaalsContact O-N 3.16Å | ||
| 194 | P | 78.1 | Confident | 85.8 | Confident | 44 Ų | 44 | 60.8 Ų | 60.8 | 29% | 0.286 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | -4.8 | -176.9 | 32.3 | -39.4 | 0 | 0 | 0 | 114.7 | I162 S165 D192 | I162-P194 HydrophobicContact CG1-CB 4.03Å; I162-P194 HydrophobicContact CG1-CG 3.96Å; S165-P194 WeakPolarHBondContact CB-O 3.24Å; S165-P194 PolarHBondContact OG-O 2.7Å; D192-P194 VanDerWaalsContact O-CD 3.22Å; D192-P194 WeakPolarHBondContact O-CD 3.25Å |
| 195 | H | 81.4 | Confident | 85.7 | Confident | 74 Ų | 74 | 63.3 Ų | 63.3 | 34% | 0.343 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.8 | -4.7 | 176.5 | -64.1 | -41.7 | 0 | 0 | 0 | 113 | D193 F197 | D193-H195 PolarHBondContact O-N 3.35Å; D193-H195 VanDerWaalsContact O-N 3.13Å; H195-F197 WeakPolarHBondContact O-CD2 3.45Å; H195-F197 WeakPolarHBondContact O-CE2 3.49Å |
| 196 | T | 86.1 | Confident | 85.9 | Confident | 6 Ų | 6 | 60.1 Ų | 60.1 | 4% | 0.037 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 129.1 | 176 | -61 | 0 | 0 | 0 | 0 | 108.9 | R99 D193 Y198 | R99-T196 HydrophobicContact CG-CG2 3.41Å; R99-T196 VanDerWaalsContact CG-CG2 3.41Å; R99-T196 VanDerWaalsContact NE-CG2 3.27Å; R99-T196 PolarHBondContact NE-OG1 3.33Å; R99-T196 PolarHBondContact NH2-OG1 3.19Å; D193-T196 WeakPolarHBondContact CB-OG1 3.36Å; D193-T196 PolarHBondContact O-N 3.22Å; D193-T196 VanDerWaalsContact O-N 3.16Å; T196-Y198 HydrophobicContact CG2-CD2 4.44Å; T196-Y198 HydrophobicContact CG2-CE2 3.78Å |
| 197 | F | 89.9 | Confident | 86 | Confident | 10 Ų | 10 | 56.8 Ų | 56.8 | 4% | 0.044 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 154.9 | 171.2 | -57.1 | -77.4 | 0 | 0 | 0 | 109.4 | I51 V53 A100 R102 F169 M179 L181 H195 | I51-F197 HydrophobicContact CG2-CB 3.35Å; I51-F197 HydrophobicContact CG2-CD1 4.15Å; I51-F197 HydrophobicContact CG2-CG 3.97Å; V53-F197 HydrophobicContact CG2-CD1 4.1Å; V53-F197 HydrophobicContact CG2-CE1 4.15Å; A100-F197 CarbonylContact C-O 3.58Å; A100-F197 PolarHBondContact N-O 2.91Å; A100-F197 CarbonylContact O-C 3.56Å; A100-F197 PolarHBondContact O-N 2.85Å; R102-F197 HydrophobicContact CB-CE2 4.08Å; F169-F197 HydrophobicContact CD2-CE1 4.45Å; F169-F197 AromaticContact CE2-CD1 3.84Å; F169-F197 HydrophobicContact CE2-CD1 3.84Å; F169-F197 AromaticContact CE2-CE1 3.55Å; F169-F197 HydrophobicContact CE2-CE1 3.55Å; F169-F197 HydrophobicContact CZ-CD1 4.13Å; F169-F197 HydrophobicContact CZ-CE1 4.3Å; M179-F197 HydrophobicContact CE-CD2 3.62Å; M179-F197 HydrophobicContact CE-CE2 3.55Å; M179-F197 HydrophobicContact CE-CG 4.45Å; M179-F197 HydrophobicContact CE-CZ 4.32Å; M179-F197 HydrophobicContact SD-CE2 4.46Å; L181-F197 HydrophobicContact CD2-CB 4.12Å; L181-F197 HydrophobicContact CD2-CD2 4.27Å; L181-F197 HydrophobicContact CD2-CG 4.49Å; H195-F197 WeakPolarHBondContact O-CD2 3.45Å; H195-F197 WeakPolarHBondContact O-CE2 3.49Å |
| 198 | Y | 92.1 | Very high | 86.3 | Confident | 1 Ų | 1 | 61.2 Ų | 61.2 | 0% | 0.004 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 131 | 177.1 | -70.3 | -85 | 0 | 0 | 0 | 109.6 | I51 F52 A54 F92 F97 Q98 R99 K188 F189 V190 T196 | I51-Y198 CarbonylContact C-O 3.56Å; I51-Y198 VanDerWaalsContact CA-O 3.27Å; I51-Y198 WeakPolarHBondContact CA-O 3.25Å; F52-Y198 WeakPolarHBondContact CD1-O 3.46Å; F52-Y198 HydrophobicContact CE2-CD2 4.48Å; F52-Y198 HydrophobicContact CE2-CG 4.23Å; F52-Y198 HydrophobicContact CZ-CG 4.11Å; F52-Y198 PolarHBondContact N-O 2.84Å; F52-Y198 PolarHBondContact O-N 2.76Å; A54-Y198 HydrophobicContact CB-CD2 3.88Å; A54-Y198 HydrophobicContact CB-CE2 3.54Å; F92-Y198 HydrophobicContact CD2-CD1 4.49Å; F92-Y198 HydrophobicContact CD2-CE1 4.2Å; F92-Y198 HydrophobicContact CE2-CD1 4.47Å; F92-Y198 HydrophobicContact CE2-CE1 4.08Å; F97-Y198 AromaticContact CD2-CD1 3.63Å; F97-Y198 HydrophobicContact CD2-CD1 3.63Å; F97-Y198 HydrophobicContact CD2-CE1 4.39Å; F97-Y198 HydrophobicContact CD2-CG 4.2Å; F97-Y198 AromaticContact CE2-CD1 3.94Å; F97-Y198 HydrophobicContact CE2-CD1 3.94Å; F97-Y198 HydrophobicContact CE2-CE1 4.33Å; Q98-Y198 CarbonylContact O-C 3.58Å; Q98-Y198 WeakPolarHBondContact O-CA 3.42Å; R99-Y198 HydrophobicContact CB-CD1 4.4Å; R99-Y198 HydrophobicContact CB-CE1 3.97Å; R99-Y198 HydrophobicContact CG-CE1 4.11Å; K188-Y198 PolarHBondContact O-OH 3.3Å; F189-Y198 WeakPolarHBondContact CA-OH 3.36Å; F189-Y198 AromaticContact CD2-CE1 3.9Å; F189-Y198 HydrophobicContact CD2-CE1 3.9Å; F189-Y198 HydrophobicContact CD2-CE2 4.25Å; F189-Y198 AromaticContact CD2-CZ 3.7Å; F189-Y198 HydrophobicContact CE2-CE1 4.48Å; F189-Y198 HydrophobicContact CE2-CE2 4.16Å; V190-Y198 PolarHBondContact N-OH 3.03Å; V190-Y198 PolarHBondContact O-OH 3.09Å; T196-Y198 HydrophobicContact CG2-CD2 4.44Å; T196-Y198 HydrophobicContact CG2-CE2 3.78Å |
| 199 | V | 92.4 | Very high | 86.5 | Confident | 5 Ų | 5 | 64 Ų | 64 | 3% | 0.03 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 126.5 | -178.6 | 176.9 | 0 | 0 | 0 | 0 | 108.4 | L44 V49 I51 F97 Q98 A100 I201 | L44-V199 HydrophobicContact CD2-CG1 4.25Å; L44-V199 HydrophobicContact CD2-CG2 4.34Å; V49-V199 HydrophobicContact CB-CG1 3.62Å; V49-V199 HydrophobicContact CG1-CG1 4.14Å; V49-V199 HydrophobicContact CG2-CG1 3.58Å; V49-V199 HydrophobicContact CG2-CG2 4.17Å; I51-V199 HydrophobicContact CG1-CG2 4.11Å; F97-V199 CarbonylContact C-O 3.56Å; F97-V199 WeakPolarHBondContact CA-O 3.44Å; F97-V199 WeakPolarHBondContact CB-O 3.31Å; Q98-V199 PolarHBondContact N-O 2.99Å; Q98-V199 PolarHBondContact O-N 3.22Å; A100-V199 HydrophobicContact CB-CG2 3.61Å; V199-I201 PolarHBondContact O-N 3.41Å |
| 200 | W | 92.1 | Very high | 86.8 | Confident | 21 Ų | 21 | 66.7 Ų | 66.7 | 8% | 0.08 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 127.5 | 173.7 | -73.1 | 109 | 0 | 0 | 0 | 110.6 | L33 L37 R50 F52 F97 | L33-W200 HydrophobicContact CB-CH2 3.77Å; L33-W200 HydrophobicContact CB-CZ2 4.08Å; L33-W200 HydrophobicContact CD1-CH2 4.42Å; L37-W200 HydrophobicContact CD1-CZ2 3.76Å; R50-W200 HydrophobicContact CB-CB 4.48Å; R50-W200 PolarHBondContact O-N 3.45Å; F52-W200 AromaticContact CD1-CD1 3.57Å; F52-W200 AromaticContact CD1-CD2 3.97Å; F52-W200 HydrophobicContact CD1-CD2 3.97Å; F52-W200 AromaticContact CD1-CE2 3.34Å; F52-W200 HydrophobicContact CD1-CG 4.08Å; F52-W200 AromaticContact CD1-CZ2 3.76Å; F52-W200 HydrophobicContact CD1-CZ2 3.76Å; F52-W200 AromaticContact CD1-NE1 3.1Å; F52-W200 AromaticContact CE1-CD2 3.74Å; F52-W200 HydrophobicContact CE1-CD2 3.74Å; F52-W200 AromaticContact CE1-CE2 3.4Å; F52-W200 VanDerWaalsContact CE1-CE2 3.4Å; F52-W200 HydrophobicContact CE1-CE3 4.26Å; F52-W200 HydrophobicContact CE1-CG 4.14Å; F52-W200 HydrophobicContact CE1-CH2 4.15Å; F52-W200 AromaticContact CE1-CZ2 3.61Å; F52-W200 HydrophobicContact CE1-CZ2 3.61Å; F52-W200 HydrophobicContact CE1-CZ3 4.45Å; F52-W200 AromaticContact CE1-NE1 3.68Å; F52-W200 HydrophobicContact CE2-CZ2 4.43Å; F52-W200 HydrophobicContact CG-CZ2 4.2Å; F52-W200 AromaticContact CG-NE1 3.77Å; F52-W200 HydrophobicContact CZ-CH2 4.24Å; F52-W200 AromaticContact CZ-CZ2 3.96Å; F52-W200 HydrophobicContact CZ-CZ2 3.96Å; F97-W200 HydrophobicContact CB-CE3 4.4Å; F97-W200 HydrophobicContact CD1-CH2 4.48Å; F97-W200 HydrophobicContact CD1-CZ3 4.03Å |
| 201 | I | 90.6 | Very high | 87 | Confident | 77 Ų | 77 | 74.3 Ų | 74.3 | 40% | 0.395 | 39% | 0.388 | S | S | . | . | trans | -105.8 | -36.5 | 171.1 | -60.2 | 162.9 | 0 | 0 | 0 | 109.2 | M96 Q98 V199 E203 | M96-I201 PolarHBondContact O-N 3.49Å; Q98-I201 HydrophobicContact CB-CD1 3.82Å; Q98-I201 VanDerWaalsContact CD-CD1 3.42Å; Q98-I201 HydrophobicContact CG-CD1 3.42Å; Q98-I201 VanDerWaalsContact CG-CD1 3.42Å; V199-I201 PolarHBondContact O-N 3.41Å; I201-E203 PolarHBondContact O-N 3.32Å | ||
| 202 | Y | 88.3 | Confident | 87.5 | Confident | 48 Ų | 48 | 77.8 Ų | 77.8 | 19% | 0.188 | 41% | 0.407 | C | S | . | . | trans | -70 | 113.6 | 175.8 | -178.8 | -104.8 | 0 | 0 | 0 | 110.9 | I27 A30 N31 M96 P204 P205 | I27-Y202 WeakPolarHBondContact CG2-OH 3.49Å; A30-Y202 HydrophobicContact CB-CD1 4.38Å; A30-Y202 HydrophobicContact CB-CE1 4.49Å; N31-Y202 WeakPolarHBondContact OD1-CE1 3.37Å; N31-Y202 PolarHBondContact OD1-OH 2.82Å; M96-Y202 HydrophobicContact CE-CD1 3.58Å; M96-Y202 HydrophobicContact CE-CD2 3.52Å; M96-Y202 HydrophobicContact CE-CE1 4Å; M96-Y202 HydrophobicContact CE-CE2 3.96Å; M96-Y202 HydrophobicContact CE-CG 3.32Å; M96-Y202 PolarHBondContact O-N 2.93Å; Y202-P204 HydrophobicContact CE1-CB 4.11Å; Y202-P205 WeakPolarHBondContact OH-CD 3.3Å | ||
| 203 | E | 86.8 | Confident | 88.2 | Confident | 171 Ų | 171 | 73.4 Ų | 73.4 | 80% | 0.799 | 39% | 0.39 | S | S | * | . | P | Polyproline II helix | trans | -94.3 | 119.2 | 165.6 | -68.7 | -168.3 | 167.1 | 0 | 0 | 109.1 | I201 | I201-E203 PolarHBondContact O-N 3.32Š|
| 204 | P | 85.5 | Confident | 88.9 | Confident | 34 Ų | 34 | 71.5 Ų | 71.5 | 22% | 0.221 | 39% | 0.388 | C | S | . | . | P | Polyproline II helix | trans | -62.2 | 145.6 | 177.9 | 28.9 | -36.5 | 0 | 0 | 0 | 109.7 | N31 Y202 | N31-P204 WeakPolarHBondContact OD1-CB 3.34Å; Y202-P204 HydrophobicContact CE1-CB 4.11Å |
| 205 | P | 84.2 | Confident | 89.8 | Confident | 88 Ų | 88 | 70.6 Ų | 70.6 | 57% | 0.571 | 38% | 0.384 | S | S | * | . | P | Polyproline II helix | trans | -55.8 | 138.8 | 178 | 22.7 | -32.3 | 0 | 0 | 0 | 110 | Y202 G207 | Y202-P205 WeakPolarHBondContact OH-CD 3.3Å; P205-G207 PolarHBondContact O-N 2.85Å |
| 206 | P | 84.8 | Confident | 90.5 | Very high | 99 Ų | 99 | 69.7 Ų | 69.7 | 64% | 0.643 | 39% | 0.389 | S | S | * | . | P | Polyproline II helix | trans | -52.8 | 133.7 | 179.1 | 19.9 | -30.8 | 0 | 0 | 0 | 109.4 | T210 | P206-T210 VanDerWaalsContact C-OG1 3.26Å; P206-T210 WeakPolarHBondContact CB-OG1 3.29Å |
| 207 | G | 84.8 | Confident | 91 | Very high | 44 Ų | 44 | 75 Ų | 75 | 45% | 0.454 | 42% | 0.417 | S | S | . | . | P | Polyproline II helix | trans | -57.2 | 161 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | P205 F209 T210 W211 | P205-G207 PolarHBondContact O-N 2.85Å; G207-F209 PolarHBondContact O-N 2.98Å; G207-F209 VanDerWaalsContact O-N 3.09Å; G207-T210 PolarHBondContact N-OG1 2.84Å; G207-T210 PolarHBondContact O-N 2.97Å; G207-T210 PolarHBondContact O-OG1 3.5Å; G207-W211 PolarHBondContact O-N 3.41Å; G207-W211 VanDerWaalsContact O-N 3.15Å |
| 208 | L | 88.9 | Confident | 91.4 | Very high | 158 Ų | 158 | 79.3 Ų | 79.3 | 83% | 0.827 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -54.2 | -34.5 | 177.8 | -61.3 | 176.2 | 0 | 0 | 0 | 112 | W211 L212 | L208-W211 PolarHBondContact O-N 2.95Å; L208-L212 VanDerWaalsContact O-CB 3.26Å; L208-L212 WeakPolarHBondContact O-CB 3.35Å; L208-L212 PolarHBondContact O-N 2.83Å |
| 209 | F | 90.2 | Very high | 91.6 | Very high | 168 Ų | 168 | 83.8 Ų | 83.8 | 74% | 0.737 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -63.5 | -42.2 | 176.2 | -174.3 | -99.6 | 0 | 0 | 0 | 112.9 | G207 L212 A213 | G207-F209 PolarHBondContact O-N 2.98Å; G207-F209 VanDerWaalsContact O-N 3.09Å; F209-L212 PolarHBondContact O-N 3.31Å; F209-A213 VanDerWaalsContact O-CB 3.27Å; F209-A213 WeakPolarHBondContact O-CB 3.37Å; F209-A213 PolarHBondContact O-N 3Å |
| 210 | T | 91.5 | Very high | 91.7 | Very high | 75 Ų | 75 | 85.3 Ų | 85.3 | 46% | 0.46 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -67.7 | -36.4 | 176.8 | 37.7 | 0 | 0 | 0 | 0 | 112 | P206 G207 G214 | P206-T210 VanDerWaalsContact C-OG1 3.26Å; P206-T210 WeakPolarHBondContact CB-OG1 3.29Å; G207-T210 PolarHBondContact N-OG1 2.84Å; G207-T210 PolarHBondContact O-N 2.97Å; G207-T210 PolarHBondContact O-OG1 3.5Å; T210-G214 PolarHBondContact O-N 2.83Å |
| 211 | W | 92.9 | Very high | 91.9 | Very high | 189 Ų | 189 | 88.9 Ų | 88.9 | 72% | 0.716 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -67.6 | -43.2 | 173.7 | -168.6 | 79.8 | 0 | 0 | 0 | 111.6 | G207 L208 G214 A215 | G207-W211 PolarHBondContact O-N 3.41Å; G207-W211 VanDerWaalsContact O-N 3.15Å; L208-W211 PolarHBondContact O-N 2.95Å; W211-G214 PolarHBondContact O-N 3.26Å; W211-A215 WeakPolarHBondContact O-CB 3.4Å; W211-A215 PolarHBondContact O-N 3.37Å |
| 212 | L | 95.9 | Very high | 92.2 | Very high | 106 Ų | 106 | 89.4 Ų | 89.4 | 56% | 0.555 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64 | -39.5 | 175.9 | -174.1 | 63.2 | 0 | 0 | 0 | 111.9 | L208 F209 A215 A216 | L208-L212 VanDerWaalsContact O-CB 3.26Å; L208-L212 WeakPolarHBondContact O-CB 3.35Å; L208-L212 PolarHBondContact O-N 2.83Å; F209-L212 PolarHBondContact O-N 3.31Å; L212-A215 PolarHBondContact O-N 2.85Å; L212-A216 WeakPolarHBondContact O-CB 3.43Å; L212-A216 PolarHBondContact O-N 3.26Å |
| 213 | A | 95.3 | Very high | 92.3 | Very high | 51 Ų | 51 | 91 Ų | 91 | 42% | 0.421 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.3 | -43.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | F209 A216 L217 | F209-A213 VanDerWaalsContact O-CB 3.27Å; F209-A213 WeakPolarHBondContact O-CB 3.37Å; F209-A213 PolarHBondContact O-N 3Å; A213-A216 PolarHBondContact O-N 2.58Å; A213-L217 WeakPolarHBondContact O-CB 3.35Å; A213-L217 PolarHBondContact O-N 2.69Å |
| 214 | G | 95.3 | Very high | 92.5 | Very high | 33 Ų | 33 | 87.5 Ų | 87.5 | 34% | 0.34 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.1 | -44.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | T210 W211 L217 I218 | T210-G214 PolarHBondContact O-N 2.83Å; W211-G214 PolarHBondContact O-N 3.26Å; G214-L217 WeakPolarHBondContact O-CB 3.22Å; G214-L217 PolarHBondContact O-N 3.43Å; G214-I218 WeakPolarHBondContact O-CG1 3.39Å; G214-I218 PolarHBondContact O-N 2.89Å |
| 215 | A | 96.3 | Very high | 92.9 | Very high | 25 Ų | 25 | 90.2 Ų | 90.2 | 21% | 0.207 | 53% | 0.525 | C | S | . | . | H | α-helix | trans | -62.5 | -43.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | W211 L212 L217 I218 I219 | W211-A215 WeakPolarHBondContact O-CB 3.4Å; W211-A215 PolarHBondContact O-N 3.37Å; L212-A215 PolarHBondContact O-N 2.85Å; A215-L217 VanDerWaalsContact C-N 3.34Å; A215-L217 PolarHBondContact O-N 3.29Å; A215-I218 PolarHBondContact O-N 2.98Å; A215-I219 WeakPolarHBondContact O-CB 3.25Å; A215-I219 WeakPolarHBondContact O-CD1 3.23Å; A215-I219 WeakPolarHBondContact O-CG1 3.18Å; A215-I219 PolarHBondContact O-N 3.22Å |
| 216 | A | 96.7 | Very high | 93.3 | Very high | 54 Ų | 54 | 89.7 Ų | 89.7 | 45% | 0.446 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.6 | -38.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L212 A213 I219 G220 | L212-A216 WeakPolarHBondContact O-CB 3.43Å; L212-A216 PolarHBondContact O-N 3.26Å; A213-A216 PolarHBondContact O-N 2.58Å; A216-I219 PolarHBondContact O-N 2.85Å; A216-G220 PolarHBondContact O-N 2.96Å |
| 217 | L | 97.3 | Very high | 93.4 | Very high | 118 Ų | 118 | 90.4 Ų | 90.4 | 62% | 0.618 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -59.2 | -49.2 | 173.4 | -180 | 72.2 | 0 | 0 | 0 | 111.2 | A213 G214 A215 G220 I221 | A213-L217 WeakPolarHBondContact O-CB 3.35Å; A213-L217 PolarHBondContact O-N 2.69Å; G214-L217 WeakPolarHBondContact O-CB 3.22Å; G214-L217 PolarHBondContact O-N 3.43Å; A215-L217 VanDerWaalsContact C-N 3.34Å; A215-L217 PolarHBondContact O-N 3.29Å; L217-G220 PolarHBondContact O-N 3.47Å; L217-I221 HydrophobicContact CG-CD1 4.23Å; L217-I221 WeakPolarHBondContact O-CG1 2.96Å; L217-I221 PolarHBondContact O-N 3.13Å |
| 218 | I | 97.8 | Very high | 93.6 | Very high | 101 Ų | 101 | 93.1 Ų | 93.1 | 52% | 0.518 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63 | -46.4 | 179.6 | -64.2 | 161.5 | 0 | 0 | 0 | 110.6 | G214 A215 G220 I221 I222 | G214-I218 WeakPolarHBondContact O-CG1 3.39Å; G214-I218 PolarHBondContact O-N 2.89Å; A215-I218 PolarHBondContact O-N 2.98Å; I218-G220 VanDerWaalsContact C-N 3.32Å; I218-G220 PolarHBondContact O-N 3.27Å; I218-I221 PolarHBondContact O-N 3.27Å; I218-I222 HydrophobicContact CG2-CD1 3.86Å; I218-I222 VanDerWaalsContact O-CG1 3.31Å; I218-I222 WeakPolarHBondContact O-CG1 3.32Å; I218-I222 PolarHBondContact O-N 3.37Å |
| 219 | I | 96.5 | Very high | 93.7 | Very high | 94 Ų | 94 | 91.7 Ų | 91.7 | 48% | 0.482 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.8 | -43 | 176.8 | -67.8 | 159.9 | 0 | 0 | 0 | 110.6 | A215 A216 I221 I222 L223 | A215-I219 WeakPolarHBondContact O-CB 3.25Å; A215-I219 WeakPolarHBondContact O-CD1 3.23Å; A215-I219 WeakPolarHBondContact O-CG1 3.18Å; A215-I219 PolarHBondContact O-N 3.22Å; A216-I219 PolarHBondContact O-N 2.85Å; I219-I221 PolarHBondContact O-N 3.21Å; I219-I222 PolarHBondContact O-N 3.4Å; I219-L223 HydrophobicContact CG2-CD1 3.98Å; I219-L223 HydrophobicContact CG2-CG 4.28Å; I219-L223 WeakPolarHBondContact O-CB 3.19Å; I219-L223 WeakPolarHBondContact O-CG 3.48Å; I219-L223 PolarHBondContact O-N 3.15Å |
| 220 | G | 94.6 | Very high | 93.7 | Very high | 38 Ų | 38 | 86.4 Ų | 86.4 | 39% | 0.392 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60 | -42.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | A216 L217 I218 L223 C224 | A216-G220 PolarHBondContact O-N 2.96Å; L217-G220 PolarHBondContact O-N 3.47Å; I218-G220 VanDerWaalsContact C-N 3.32Å; I218-G220 PolarHBondContact O-N 3.27Å; G220-L223 PolarHBondContact O-N 2.99Å; G220-C224 WeakPolarHBondContact O-CB 3.09Å; G220-C224 PolarHBondContact O-N 3.22Å |
| 221 | I | 96.6 | Very high | 93.6 | Very high | 96 Ų | 96 | 86.6 Ų | 86.6 | 49% | 0.492 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.4 | -46.3 | 175.5 | -65.1 | 161.6 | 0 | 0 | 0 | 110.6 | L217 I218 I219 L223 C224 C225 | L217-I221 HydrophobicContact CG-CD1 4.23Å; L217-I221 WeakPolarHBondContact O-CG1 2.96Å; L217-I221 PolarHBondContact O-N 3.13Å; I218-I221 PolarHBondContact O-N 3.27Å; I219-I221 PolarHBondContact O-N 3.21Å; I221-L223 PolarHBondContact O-N 3.33Å; I221-C224 WeakPolarHBondContact O-CB 3.47Å; I221-C224 PolarHBondContact O-N 3.4Å; I221-C225 PolarHBondContact O-N 2.86Å; I221-C225 PolarHBondContact O-SG 3.5Å; I221-C225 VanDerWaalsContact O-SG 3.37Å |
| 222 | I | 95.7 | Very high | 93.4 | Very high | 88 Ų | 88 | 81 Ų | 81 | 45% | 0.451 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -58.7 | -48.2 | 177.1 | -67.1 | 165.9 | 0 | 0 | 0 | 110.2 | I218 I219 C224 C225 L226 | I218-I222 HydrophobicContact CG2-CD1 3.86Å; I218-I222 VanDerWaalsContact O-CG1 3.31Å; I218-I222 WeakPolarHBondContact O-CG1 3.32Å; I218-I222 PolarHBondContact O-N 3.37Å; I219-I222 PolarHBondContact O-N 3.4Å; I222-C224 VanDerWaalsContact C-N 3.29Å; I222-C224 PolarHBondContact O-N 3.49Å; I222-C225 PolarHBondContact O-N 3.27Å; I222-C225 VanDerWaalsContact O-N 3.15Å; I222-L226 HydrophobicContact CG2-CD1 3.81Å; I222-L226 WeakPolarHBondContact O-CB 3.43Å; I222-L226 WeakPolarHBondContact O-CD1 3.47Å; I222-L226 PolarHBondContact O-N 2.76Å |
| 223 | L | 91.8 | Very high | 93.2 | Very high | 82 Ų | 82 | 81.9 Ų | 81.9 | 43% | 0.429 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -59.7 | -38.5 | 178.3 | -74.8 | 176.7 | 0 | 0 | 0 | 112.5 | I219 G220 I221 L226 F227 W230 | I219-L223 HydrophobicContact CG2-CD1 3.98Å; I219-L223 HydrophobicContact CG2-CG 4.28Å; I219-L223 WeakPolarHBondContact O-CB 3.19Å; I219-L223 WeakPolarHBondContact O-CG 3.48Å; I219-L223 PolarHBondContact O-N 3.15Å; G220-L223 PolarHBondContact O-N 2.99Å; I221-L223 PolarHBondContact O-N 3.33Å; L223-L226 PolarHBondContact O-N 3.38Å; L223-F227 PolarHBondContact O-N 2.99Å; L223-W230 HydrophobicContact CB-CZ2 4.18Å; L223-W230 PolarHBondContact O-NE1 2.86Å |
| 224 | C | 90.3 | Very high | 93 | Very high | 97 Ų | 97 | 83.2 Ų | 83.2 | 66% | 0.655 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -65.2 | -43.3 | 174.2 | -170.5 | 0 | 0 | 0 | 0 | 112 | G220 I221 I222 L226 F227 | G220-C224 WeakPolarHBondContact O-CB 3.09Å; G220-C224 PolarHBondContact O-N 3.22Å; I221-C224 WeakPolarHBondContact O-CB 3.47Å; I221-C224 PolarHBondContact O-N 3.4Å; I222-C224 VanDerWaalsContact C-N 3.29Å; I222-C224 PolarHBondContact O-N 3.49Å; C224-L226 VanDerWaalsContact C-N 3.26Å; C224-L226 PolarHBondContact O-N 3.13Å; C224-F227 VanDerWaalsContact O-CB 3.27Å; C224-F227 WeakPolarHBondContact O-CB 3.47Å; C224-F227 PolarHBondContact O-N 3.43Å |
| 225 | C | 93.9 | Very high | 92.8 | Very high | 91 Ų | 91 | 87 Ų | 87 | 62% | 0.615 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -67.4 | -27.7 | 175.7 | -67.3 | 0 | 0 | 0 | 0 | 112.7 | I221 I222 F227 P228 | I221-C225 PolarHBondContact O-N 2.86Å; I221-C225 PolarHBondContact O-SG 3.5Å; I221-C225 VanDerWaalsContact O-SG 3.37Å; I222-C225 PolarHBondContact O-N 3.27Å; I222-C225 VanDerWaalsContact O-N 3.15Å; C225-F227 VanDerWaalsContact C-N 3.28Å; C225-F227 PolarHBondContact O-N 3.33Å; C225-P228 WeakPolarHBondContact O-CD 3.33Å |
| 226 | L | 92.4 | Very high | 92.7 | Very high | 76 Ų | 76 | 90.2 Ų | 90.2 | 40% | 0.398 | 50% | 0.495 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | 4.1 | 176.1 | -92.4 | 71.9 | 0 | 0 | 0 | 113.3 | I222 L223 C224 P228 I229 W230 | I222-L226 HydrophobicContact CG2-CD1 3.81Å; I222-L226 WeakPolarHBondContact O-CB 3.43Å; I222-L226 WeakPolarHBondContact O-CD1 3.47Å; I222-L226 PolarHBondContact O-N 2.76Å; L223-L226 PolarHBondContact O-N 3.38Å; C224-L226 VanDerWaalsContact C-N 3.26Å; C224-L226 PolarHBondContact O-N 3.13Å; L226-P228 VanDerWaalsContact O-N 3.07Å; L226-I229 HydrophobicContact CB-CG2 3.7Å; L226-I229 HydrophobicContact CD2-CG2 3.85Å; L226-I229 HydrophobicContact CG-CG2 3.65Å; L226-I229 WeakPolarHBondContact O-CG2 3.47Å; L226-I229 PolarHBondContact O-N 3.42Å; L226-W230 PolarHBondContact O-N 3.42Å |
| 227 | F | 86.2 | Confident | 92.4 | Very high | 114 Ų | 114 | 91.2 Ų | 91.2 | 50% | 0.5 | 50% | 0.498 | S | S | . | . | G | 310 helix | trans | -41.9 | -42.3 | 172.9 | -169.6 | -101.6 | 0 | 0 | 0 | 115.1 | L223 C224 C225 I229 W230 | L223-F227 PolarHBondContact O-N 2.99Å; C224-F227 VanDerWaalsContact O-CB 3.27Å; C224-F227 WeakPolarHBondContact O-CB 3.47Å; C224-F227 PolarHBondContact O-N 3.43Å; C225-F227 VanDerWaalsContact C-N 3.28Å; C225-F227 PolarHBondContact O-N 3.33Å; F227-I229 VanDerWaalsContact C-N 3.27Å; F227-I229 PolarHBondContact O-N 2.96Å; F227-W230 PolarHBondContact O-N 2.96Å |
| 228 | P | 88.6 | Confident | 92.2 | Very high | 101 Ų | 101 | 87 Ų | 87 | 66% | 0.656 | 48% | 0.48 | S | S | * | . | G | 310 helix | trans | -59.8 | -30.4 | 175.1 | 22.1 | -35.4 | 0 | 0 | 0 | 114.5 | C225 L226 R235 | C225-P228 WeakPolarHBondContact O-CD 3.33Å; L226-P228 VanDerWaalsContact O-N 3.07Å; P228-R235 PolarHBondContact O-NH2 3.28Å |
| 229 | I | 91.3 | Very high | 91.9 | Very high | 129 Ų | 129 | 89.6 Ų | 89.6 | 66% | 0.662 | 48% | 0.484 | S | S | * | . | G | 310 helix | trans | -96.7 | 0.3 | -176.7 | -161.7 | 151.1 | 0 | 0 | 0 | 114.1 | L226 F227 | L226-I229 HydrophobicContact CB-CG2 3.7Å; L226-I229 HydrophobicContact CD2-CG2 3.85Å; L226-I229 HydrophobicContact CG-CG2 3.65Å; L226-I229 WeakPolarHBondContact O-CG2 3.47Å; L226-I229 PolarHBondContact O-N 3.42Å; F227-I229 VanDerWaalsContact C-N 3.27Å; F227-I229 PolarHBondContact O-N 2.96Å |
| 230 | W | 90.3 | Very high | 92 | Very high | 57 Ų | 57 | 92 Ų | 92 | 22% | 0.216 | 49% | 0.488 | C | S | . | . | trans | -61.1 | 140.5 | -179.1 | -82.2 | 26.9 | 0 | 0 | 0 | 112.7 | L223 L226 F227 L234 R235 A238 | L223-W230 HydrophobicContact CB-CZ2 4.18Å; L223-W230 PolarHBondContact O-NE1 2.86Å; L226-W230 PolarHBondContact O-N 3.42Å; F227-W230 PolarHBondContact O-N 2.96Å; W230-L234 HydrophobicContact CD2-CB 4.14Å; W230-L234 HydrophobicContact CD2-CD1 4.36Å; W230-L234 HydrophobicContact CE3-CB 3.43Å; W230-L234 VanDerWaalsContact CE3-CB 3.43Å; W230-L234 HydrophobicContact CE3-CD1 4.29Å; W230-L234 HydrophobicContact CE3-CG 4.46Å; W230-L234 HydrophobicContact CZ3-CB 3.9Å; W230-R235 HydrophobicContact CB-CG 4.02Å; W230-R235 PolarHBondContact O-NE 2.79Å; W230-R235 VanDerWaalsContact O-NE 3.12Å; W230-R235 PolarHBondContact O-NH2 2.84Å; W230-R235 VanDerWaalsContact O-NH2 3.09Å; W230-A238 HydrophobicContact CZ3-CB 4.47Å | ||
| 231 | P | 90.8 | Very high | 92 | Very high | 78 Ų | 78 | 96.2 Ų | 96.2 | 51% | 0.506 | 50% | 0.501 | S | S | . | . | trans | -58.6 | 151.7 | 171.1 | 26.6 | -34.8 | 0 | 0 | 0 | 110.8 | E233 L234 R235 | P231-E233 PolarHBondContact O-N 3.25Å; P231-E233 VanDerWaalsContact O-N 3.16Å; P231-L234 HydrophobicContact CG-CB 4.17Å; P231-L234 HydrophobicContact CG-CD1 3.82Å; P231-L234 HydrophobicContact CG-CG 3.9Å; P231-L234 PolarHBondContact O-N 3.26Å; P231-L234 VanDerWaalsContact O-N 3.13Å; P231-R235 PolarHBondContact O-N 3.47Å | ||
| 232 | S | 88 | Confident | 91.9 | Very high | 72 Ų | 72 | 96 Ų | 96 | 50% | 0.503 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -53.8 | -37.6 | -177.3 | 47.2 | 0 | 0 | 0 | 0 | 113 | R235 Q236 | S232-R235 PolarHBondContact O-N 2.92Å; S232-Q236 WeakPolarHBondContact O-CG 3.49Å; S232-Q236 PolarHBondContact O-N 3.2Å; S232-Q236 VanDerWaalsContact O-N 3.15Å |
| 233 | E | 91.5 | Very high | 92 | Very high | 124 Ų | 124 | 96 Ų | 96 | 58% | 0.579 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -58.9 | -48.6 | 177.7 | -61.2 | -60 | 148.3 | 0 | 0 | 112.5 | P231 R235 Q236 C237 | P231-E233 PolarHBondContact O-N 3.25Å; P231-E233 VanDerWaalsContact O-N 3.16Å; E233-R235 VanDerWaalsContact C-N 3.32Å; E233-R235 PolarHBondContact O-N 2.8Å; E233-Q236 WeakPolarHBondContact O-CB 3.46Å; E233-Q236 PolarHBondContact O-N 3.01Å; E233-C237 PolarHBondContact O-N 3.33Å; E233-C237 PolarHBondContact O-SG 2.8Å; E233-C237 VanDerWaalsContact O-SG 3.35Å |
| 234 | L | 90.9 | Very high | 92.2 | Very high | 79 Ų | 79 | 96.7 Ų | 96.7 | 41% | 0.414 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -68.6 | -31.9 | -179 | -72.1 | -178.9 | 0 | 0 | 0 | 112.4 | W230 P231 Q236 C237 A238 | W230-L234 HydrophobicContact CD2-CB 4.14Å; W230-L234 HydrophobicContact CD2-CD1 4.36Å; W230-L234 HydrophobicContact CE3-CB 3.43Å; W230-L234 VanDerWaalsContact CE3-CB 3.43Å; W230-L234 HydrophobicContact CE3-CD1 4.29Å; W230-L234 HydrophobicContact CE3-CG 4.46Å; W230-L234 HydrophobicContact CZ3-CB 3.9Å; P231-L234 HydrophobicContact CG-CB 4.17Å; P231-L234 HydrophobicContact CG-CD1 3.82Å; P231-L234 HydrophobicContact CG-CG 3.9Å; P231-L234 PolarHBondContact O-N 3.26Å; P231-L234 VanDerWaalsContact O-N 3.13Å; L234-Q236 VanDerWaalsContact C-N 3.32Å; L234-C237 WeakPolarHBondContact O-CB 3.45Å; L234-C237 PolarHBondContact O-N 3.44Å; L234-A238 PolarHBondContact O-N 2.7Å |
| 235 | R | 91.3 | Very high | 92.6 | Very high | 112 Ų | 112 | 94.8 Ų | 94.8 | 42% | 0.423 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.9 | -39.9 | 173.6 | -63.7 | -176 | -170.2 | 143.5 | 0.2 | 111.2 | P228 W230 P231 S232 E233 A238 Y239 | P228-R235 PolarHBondContact O-NH2 3.28Å; W230-R235 HydrophobicContact CB-CG 4.02Å; W230-R235 PolarHBondContact O-NE 2.79Å; W230-R235 VanDerWaalsContact O-NE 3.12Å; W230-R235 PolarHBondContact O-NH2 2.84Å; W230-R235 VanDerWaalsContact O-NH2 3.09Å; P231-R235 PolarHBondContact O-N 3.47Å; S232-R235 PolarHBondContact O-N 2.92Å; E233-R235 VanDerWaalsContact C-N 3.32Å; E233-R235 PolarHBondContact O-N 2.8Å; R235-A238 PolarHBondContact O-N 2.86Å; R235-Y239 PolarHBondContact O-N 2.65Å |
| 236 | Q | 93.5 | Very high | 92.7 | Very high | 94 Ų | 94 | 94 Ų | 94 | 44% | 0.439 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.4 | -43.6 | 173.4 | -66.4 | 174.8 | 18.7 | 0 | 0 | 111.2 | S232 E233 L234 A238 Y239 Y240 | S232-Q236 WeakPolarHBondContact O-CG 3.49Å; S232-Q236 PolarHBondContact O-N 3.2Å; S232-Q236 VanDerWaalsContact O-N 3.15Å; E233-Q236 WeakPolarHBondContact O-CB 3.46Å; E233-Q236 PolarHBondContact O-N 3.01Å; L234-Q236 VanDerWaalsContact C-N 3.32Å; Q236-A238 VanDerWaalsContact C-N 3.32Å; Q236-A238 PolarHBondContact O-N 3.4Å; Q236-Y239 WeakPolarHBondContact O-CB 3.44Å; Q236-Y239 PolarHBondContact O-N 2.97Å; Q236-Y239 VanDerWaalsContact O-N 3.16Å; Q236-Y240 HydrophobicContact CB-CD2 4.36Å; Q236-Y240 HydrophobicContact CB-CE2 4.19Å; Q236-Y240 WeakPolarHBondContact O-CD2 3.37Å; Q236-Y240 PolarHBondContact O-N 3.09Å |
| 237 | C | 91.7 | Very high | 92.9 | Very high | 75 Ų | 75 | 92.4 Ų | 92.4 | 51% | 0.507 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -56.4 | -45.1 | 174.6 | -63.2 | 0 | 0 | 0 | 0 | 112.2 | E233 L234 Y239 Y240 L241 | E233-C237 PolarHBondContact O-N 3.33Å; E233-C237 PolarHBondContact O-SG 2.8Å; E233-C237 VanDerWaalsContact O-SG 3.35Å; L234-C237 WeakPolarHBondContact O-CB 3.45Å; L234-C237 PolarHBondContact O-N 3.44Å; C237-Y239 PolarHBondContact O-N 3.15Å; C237-Y240 PolarHBondContact O-N 3.32Å; C237-L241 VanDerWaalsContact O-CB 3.25Å; C237-L241 WeakPolarHBondContact O-CB 3.28Å; C237-L241 PolarHBondContact O-N 2.93Å |
| 238 | A | 91.8 | Very high | 93.3 | Very high | 30 Ų | 30 | 91.1 Ų | 91.1 | 25% | 0.248 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -63.5 | -39.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | W230 L234 R235 Q236 L241 T242 | W230-A238 HydrophobicContact CZ3-CB 4.47Å; L234-A238 PolarHBondContact O-N 2.7Å; R235-A238 PolarHBondContact O-N 2.86Å; Q236-A238 VanDerWaalsContact C-N 3.32Å; Q236-A238 PolarHBondContact O-N 3.4Å; A238-L241 PolarHBondContact O-N 3.39Å; A238-T242 WeakPolarHBondContact O-CB 3.18Å; A238-T242 PolarHBondContact O-N 2.83Å; A238-T242 PolarHBondContact O-OG1 2.97Å |
| 239 | Y | 93.3 | Very high | 93.6 | Very high | 154 Ų | 154 | 91.1 Ų | 91.1 | 60% | 0.604 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -62.3 | -50.1 | 174.7 | 174.5 | -99.7 | 0 | 0 | 0 | 111.8 | R235 Q236 C237 L241 T242 I243 | R235-Y239 PolarHBondContact O-N 2.65Å; Q236-Y239 WeakPolarHBondContact O-CB 3.44Å; Q236-Y239 PolarHBondContact O-N 2.97Å; Q236-Y239 VanDerWaalsContact O-N 3.16Å; C237-Y239 PolarHBondContact O-N 3.15Å; Y239-L241 VanDerWaalsContact C-N 3.32Å; Y239-L241 PolarHBondContact O-N 3.3Å; Y239-T242 PolarHBondContact O-N 3.36Å; Y239-I243 PolarHBondContact O-N 2.76Å |
| 240 | Y | 96.8 | Very high | 93.8 | Very high | 144 Ų | 144 | 86.8 Ų | 86.8 | 57% | 0.565 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -63.6 | -36.3 | 177.6 | -72 | -61.2 | 0 | 0 | 0 | 112.6 | Q236 C237 I243 T244 | Q236-Y240 HydrophobicContact CB-CD2 4.36Å; Q236-Y240 HydrophobicContact CB-CE2 4.19Å; Q236-Y240 WeakPolarHBondContact O-CD2 3.37Å; Q236-Y240 PolarHBondContact O-N 3.09Å; C237-Y240 PolarHBondContact O-N 3.32Å; Y240-I243 HydrophobicContact CD1-CG2 4.42Å; Y240-I243 WeakPolarHBondContact O-CG2 3.35Å; Y240-T244 VanDerWaalsContact O-CB 3.25Å; Y240-T244 WeakPolarHBondContact O-CB 3.45Å; Y240-T244 PolarHBondContact O-N 3.39Å; Y240-T244 PolarHBondContact O-OG1 3.38Å |
| 241 | L | 95.1 | Very high | 93.9 | Very high | 127 Ų | 127 | 88.7 Ų | 88.7 | 67% | 0.665 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -67.3 | -39.6 | 175.3 | -168.3 | 126.6 | 0 | 0 | 0 | 111.3 | C237 A238 Y239 T244 A245 | C237-L241 VanDerWaalsContact O-CB 3.25Å; C237-L241 WeakPolarHBondContact O-CB 3.28Å; C237-L241 PolarHBondContact O-N 2.93Å; A238-L241 PolarHBondContact O-N 3.39Å; Y239-L241 VanDerWaalsContact C-N 3.32Å; Y239-L241 PolarHBondContact O-N 3.3Å; L241-T244 PolarHBondContact O-N 2.88Å; L241-A245 VanDerWaalsContact O-CB 3.32Å; L241-A245 WeakPolarHBondContact O-CB 3.41Å; L241-A245 PolarHBondContact O-N 2.83Å |
| 242 | T | 95.5 | Very high | 93.9 | Very high | 91 Ų | 91 | 87.3 Ų | 87.3 | 56% | 0.558 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -68.3 | -44.7 | 177.5 | -55.6 | 0 | 0 | 0 | 0 | 111.8 | A238 Y239 T244 A245 S246 | A238-T242 WeakPolarHBondContact O-CB 3.18Å; A238-T242 PolarHBondContact O-N 2.83Å; A238-T242 PolarHBondContact O-OG1 2.97Å; Y239-T242 PolarHBondContact O-N 3.36Å; T242-T244 VanDerWaalsContact C-N 3.3Å; T242-T244 PolarHBondContact O-N 2.8Å; T242-A245 PolarHBondContact O-N 3.36Å; T242-S246 WeakPolarHBondContact O-CB 3.34Å; T242-S246 PolarHBondContact O-N 2.95Å |
| 243 | I | 97.1 | Very high | 94.1 | Very high | 89 Ų | 89 | 89.2 Ų | 89.2 | 46% | 0.456 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.3 | -35.6 | 175.7 | -167.1 | 66.9 | 0 | 0 | 0 | 111.3 | Y239 Y240 G247 | Y239-I243 PolarHBondContact O-N 2.76Å; Y240-I243 HydrophobicContact CD1-CG2 4.42Å; Y240-I243 WeakPolarHBondContact O-CG2 3.35Å; I243-G247 PolarHBondContact O-N 3.41Å |
| 244 | T | 96.8 | Very high | 94.1 | Very high | 97 Ų | 97 | 88.8 Ų | 88.8 | 60% | 0.595 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -67.1 | -47.1 | 175.4 | -58.6 | 0 | 0 | 0 | 0 | 111.5 | Y240 L241 T242 G247 L248 | Y240-T244 VanDerWaalsContact O-CB 3.25Å; Y240-T244 WeakPolarHBondContact O-CB 3.45Å; Y240-T244 PolarHBondContact O-N 3.39Å; Y240-T244 PolarHBondContact O-OG1 3.38Å; L241-T244 PolarHBondContact O-N 2.88Å; T242-T244 VanDerWaalsContact C-N 3.3Å; T242-T244 PolarHBondContact O-N 2.8Å; T244-G247 PolarHBondContact O-N 3.28Å; T244-L248 WeakPolarHBondContact O-CB 3.08Å; T244-L248 PolarHBondContact O-N 3.04Å |
| 245 | A | 96.9 | Very high | 94 | Very high | 56 Ų | 56 | 86 Ų | 86 | 46% | 0.463 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -64.6 | -41.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L241 T242 L248 L249 | L241-A245 VanDerWaalsContact O-CB 3.32Å; L241-A245 WeakPolarHBondContact O-CB 3.41Å; L241-A245 PolarHBondContact O-N 2.83Å; T242-A245 PolarHBondContact O-N 3.36Å; A245-L248 PolarHBondContact O-N 2.85Å; A245-L249 WeakPolarHBondContact O-CB 3.45Å; A245-L249 PolarHBondContact O-N 3.39Å |
| 246 | S | 96.7 | Very high | 93.9 | Very high | 74 Ų | 74 | 81.5 Ų | 81.5 | 52% | 0.517 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -64.1 | -40.7 | 174.1 | -174.3 | 0 | 0 | 0 | 0 | 111.7 | T242 L249 G250 | T242-S246 WeakPolarHBondContact O-CB 3.34Å; T242-S246 PolarHBondContact O-N 2.95Å; S246-L249 PolarHBondContact O-N 2.88Å; S246-G250 PolarHBondContact O-N 2.82Å |
| 247 | G | 96.9 | Very high | 93.8 | Very high | 44 Ų | 44 | 81.9 Ų | 81.9 | 45% | 0.454 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -63.8 | -43 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | I243 T244 G250 L251 | I243-G247 PolarHBondContact O-N 3.41Å; T244-G247 PolarHBondContact O-N 3.28Å; G247-G250 PolarHBondContact O-N 3.31Å; G247-L251 WeakPolarHBondContact O-CB 3.05Å; G247-L251 PolarHBondContact O-N 2.84Å |
| 248 | L | 94.6 | Very high | 93.8 | Very high | 86 Ų | 86 | 81.4 Ų | 81.4 | 45% | 0.45 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -64.6 | -42.3 | 175 | -174.8 | 66.5 | 0 | 0 | 0 | 111.5 | T244 A245 L251 L252 | T244-L248 WeakPolarHBondContact O-CB 3.08Å; T244-L248 PolarHBondContact O-N 3.04Å; A245-L248 PolarHBondContact O-N 2.85Å; L248-L251 PolarHBondContact O-N 3.42Å; L248-L252 HydrophobicContact CG-CD1 4.29Å; L248-L252 WeakPolarHBondContact O-CB 3.28Å; L248-L252 WeakPolarHBondContact O-CD1 3.48Å; L248-L252 VanDerWaalsContact O-CG 3.28Å; L248-L252 WeakPolarHBondContact O-CG 3.43Å; L248-L252 PolarHBondContact O-N 3.4Å |
| 249 | L | 94.7 | Very high | 93.6 | Very high | 102 Ų | 102 | 81.6 Ų | 81.6 | 53% | 0.534 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -64.7 | -41.9 | 174.5 | -176.8 | 63.1 | 0 | 0 | 0 | 111.8 | A245 S246 L252 L253 | A245-L249 WeakPolarHBondContact O-CB 3.45Å; A245-L249 PolarHBondContact O-N 3.39Å; S246-L249 PolarHBondContact O-N 2.88Å; L249-L252 WeakPolarHBondContact O-CB 3.48Å; L249-L252 PolarHBondContact O-N 3.26Å; L249-L253 HydrophobicContact CG-CD1 4.47Å; L249-L253 WeakPolarHBondContact O-CG 3.11Å; L249-L253 PolarHBondContact O-N 3.18Å |
| 250 | G | 95.8 | Very high | 93.4 | Very high | 37 Ų | 37 | 79.8 Ų | 79.8 | 38% | 0.381 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -62.9 | -40.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | S246 G247 L253 F254 | S246-G250 PolarHBondContact O-N 2.82Å; G247-G250 PolarHBondContact O-N 3.31Å; G250-L253 PolarHBondContact O-N 3.3Å; G250-F254 VanDerWaalsContact O-CB 3.26Å; G250-F254 WeakPolarHBondContact O-CB 3.48Å; G250-F254 PolarHBondContact O-N 3.05Å |
| 251 | L | 92.8 | Very high | 93 | Very high | 98 Ų | 98 | 76.3 Ų | 76.3 | 51% | 0.513 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -63.2 | -45.9 | 173.3 | -179.3 | 70.4 | 0 | 0 | 0 | 111.3 | G247 L248 F254 V255 | G247-L251 WeakPolarHBondContact O-CB 3.05Å; G247-L251 PolarHBondContact O-N 2.84Å; L248-L251 PolarHBondContact O-N 3.42Å; L251-F254 PolarHBondContact O-N 2.86Å; L251-V255 WeakPolarHBondContact O-CG2 3.26Å; L251-V255 PolarHBondContact O-N 2.78Å |
| 252 | L | 90.2 | Very high | 92.7 | Very high | 49 Ų | 49 | 74.2 Ų | 74.2 | 26% | 0.257 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -58.5 | -47.7 | 174.8 | -76.6 | 163.9 | 0 | 0 | 0 | 110.8 | L248 L249 F254 V255 G256 Y282 F288 F292 | L248-L252 HydrophobicContact CG-CD1 4.29Å; L248-L252 WeakPolarHBondContact O-CB 3.28Å; L248-L252 WeakPolarHBondContact O-CD1 3.48Å; L248-L252 VanDerWaalsContact O-CG 3.28Å; L248-L252 WeakPolarHBondContact O-CG 3.43Å; L248-L252 PolarHBondContact O-N 3.4Å; L249-L252 WeakPolarHBondContact O-CB 3.48Å; L249-L252 PolarHBondContact O-N 3.26Å; L252-F254 VanDerWaalsContact C-N 3.34Å; L252-F254 PolarHBondContact O-N 3.45Å; L252-V255 PolarHBondContact O-N 3.46Å; L252-G256 PolarHBondContact O-N 2.68Å; L252-Y282 WeakPolarHBondContact CA-OH 3.38Å; L252-Y282 WeakPolarHBondContact CB-OH 3.45Å; L252-Y282 HydrophobicContact CD2-CE2 3.83Å; L252-Y282 WeakPolarHBondContact CD2-OH 3.19Å; L252-Y282 PolarHBondContact O-OH 3.24Å; L252-F288 HydrophobicContact CD2-CE2 4.27Å; L252-F292 HydrophobicContact CD2-CZ 4.2Å |
| 253 | L | 91.8 | Very high | 92.1 | Very high | 112 Ų | 112 | 73.8 Ų | 73.8 | 59% | 0.586 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -64 | -38.1 | 176 | -71.3 | 176.9 | 0 | 0 | 0 | 112.5 | L249 G250 G256 L257 | L249-L253 HydrophobicContact CG-CD1 4.47Å; L249-L253 WeakPolarHBondContact O-CG 3.11Å; L249-L253 PolarHBondContact O-N 3.18Å; G250-L253 PolarHBondContact O-N 3.3Å; L253-G256 CarbonylContact O-C 3.56Å; L253-G256 WeakPolarHBondContact O-CA 3.36Å; L253-G256 PolarHBondContact O-N 3.46Å; L253-L257 WeakPolarHBondContact O-CG 3.36Å; L253-L257 PolarHBondContact O-N 3.42Å |
| 254 | F | 92.8 | Very high | 91.6 | Very high | 115 Ų | 115 | 72.6 Ų | 72.6 | 50% | 0.504 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -63.5 | -42 | 176.2 | -178.6 | -105.8 | 0 | 0 | 0 | 111.8 | G250 L251 L252 G256 L257 L258 | G250-F254 VanDerWaalsContact O-CB 3.26Å; G250-F254 WeakPolarHBondContact O-CB 3.48Å; G250-F254 PolarHBondContact O-N 3.05Å; L251-F254 PolarHBondContact O-N 2.86Å; L252-F254 VanDerWaalsContact C-N 3.34Å; L252-F254 PolarHBondContact O-N 3.45Å; F254-G256 VanDerWaalsContact C-N 3.32Å; F254-G256 PolarHBondContact O-N 3.37Å; F254-L257 PolarHBondContact O-N 2.84Å; F254-L258 HydrophobicContact CD1-CD1 3.74Å; F254-L258 HydrophobicContact CD1-CG 4.23Å; F254-L258 HydrophobicContact CE1-CD1 3.37Å; F254-L258 HydrophobicContact CE1-CD2 4.39Å; F254-L258 HydrophobicContact CE1-CG 3.91Å; F254-L258 HydrophobicContact CE2-CG 4.45Å; F254-L258 HydrophobicContact CZ-CD1 3.93Å; F254-L258 HydrophobicContact CZ-CD2 4.09Å; F254-L258 HydrophobicContact CZ-CG 4.02Å; F254-L258 WeakPolarHBondContact O-CB 3.27Å; F254-L258 WeakPolarHBondContact O-CG 3.26Å; F254-L258 PolarHBondContact O-N 2.91Å |
| 255 | V | 88.8 | Confident | 91.1 | Very high | 20 Ų | 20 | 73.3 Ų | 73.3 | 12% | 0.121 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -62.4 | -40.6 | 172.5 | 174.2 | 0 | 0 | 0 | 0 | 111 | L251 L252 L258 R259 F279 Y282 F292 | L251-V255 WeakPolarHBondContact O-CG2 3.26Å; L251-V255 PolarHBondContact O-N 2.78Å; L252-V255 PolarHBondContact O-N 3.46Å; V255-L258 PolarHBondContact O-N 2.88Å; V255-R259 PolarHBondContact O-N 3.2Å; V255-F279 HydrophobicContact CG1-CD2 3.79Å; V255-F279 HydrophobicContact CG1-CE2 4.07Å; V255-Y282 HydrophobicContact CB-CE2 4.21Å; V255-Y282 HydrophobicContact CG1-CD2 3.95Å; V255-Y282 HydrophobicContact CG1-CE2 3.87Å; V255-F292 HydrophobicContact CG1-CE1 4.29Å |
| 256 | G | 89.2 | Confident | 90.6 | Very high | 18 Ų | 18 | 72.1 Ų | 72.1 | 19% | 0.186 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -60.8 | -44.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | L252 L253 F254 R259 F260 | L252-G256 PolarHBondContact O-N 2.68Å; L253-G256 CarbonylContact O-C 3.56Å; L253-G256 WeakPolarHBondContact O-CA 3.36Å; L253-G256 PolarHBondContact O-N 3.46Å; F254-G256 VanDerWaalsContact C-N 3.32Å; F254-G256 PolarHBondContact O-N 3.37Å; G256-R259 WeakPolarHBondContact O-CB 3.5Å; G256-R259 PolarHBondContact O-N 2.92Å; G256-F260 PolarHBondContact O-N 2.87Å |
| 257 | L | 91.1 | Very high | 89.9 | Confident | 102 Ų | 102 | 75.2 Ų | 75.2 | 53% | 0.534 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -65.7 | -42.8 | 175.8 | -77.8 | 168.5 | 0 | 0 | 0 | 111.7 | L253 F254 R259 F260 C261 | L253-L257 WeakPolarHBondContact O-CG 3.36Å; L253-L257 PolarHBondContact O-N 3.42Å; F254-L257 PolarHBondContact O-N 2.84Å; L257-R259 VanDerWaalsContact C-N 3.31Å; L257-R259 PolarHBondContact O-N 3.42Å; L257-F260 CarbonylContact O-C 3.57Å; L257-F260 WeakPolarHBondContact O-CB 3.35Å; L257-F260 PolarHBondContact O-N 2.75Å; L257-F260 VanDerWaalsContact O-N 3.13Å; L257-C261 WeakPolarHBondContact O-CB 3.44Å; L257-C261 PolarHBondContact O-N 3.47Å; L257-C261 PolarHBondContact O-SG 2.96Å |
| 258 | L | 91.2 | Very high | 89.4 | Confident | 65 Ų | 65 | 78.7 Ų | 78.7 | 34% | 0.34 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -57.5 | -46.1 | 173.5 | -76.8 | 173.9 | 0 | 0 | 0 | 110.6 | F254 V255 F260 C261 F262 | F254-L258 HydrophobicContact CD1-CD1 3.74Å; F254-L258 HydrophobicContact CD1-CG 4.23Å; F254-L258 HydrophobicContact CE1-CD1 3.37Å; F254-L258 HydrophobicContact CE1-CD2 4.39Å; F254-L258 HydrophobicContact CE1-CG 3.91Å; F254-L258 HydrophobicContact CE2-CG 4.45Å; F254-L258 HydrophobicContact CZ-CD1 3.93Å; F254-L258 HydrophobicContact CZ-CD2 4.09Å; F254-L258 HydrophobicContact CZ-CG 4.02Å; F254-L258 WeakPolarHBondContact O-CB 3.27Å; F254-L258 WeakPolarHBondContact O-CG 3.26Å; F254-L258 PolarHBondContact O-N 2.91Å; V255-L258 PolarHBondContact O-N 2.88Å; L258-F260 VanDerWaalsContact C-N 3.3Å; L258-F260 PolarHBondContact O-N 3.42Å; L258-C261 PolarHBondContact O-N 3.25Å; L258-F262 HydrophobicContact CB-CD2 4.45Å; L258-F262 HydrophobicContact CB-CE2 4.46Å; L258-F262 HydrophobicContact CD2-CE2 4.41Å; L258-F262 WeakPolarHBondContact O-CB 3.32Å; L258-F262 WeakPolarHBondContact O-CD2 3.18Å; L258-F262 PolarHBondContact O-N 3.2Å |
| 259 | R | 87.1 | Confident | 88.9 | Confident | 33 Ų | 33 | 79.3 Ų | 79.3 | 13% | 0.125 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -57.4 | -43 | 174.7 | 179.3 | 177.4 | 171.9 | 147 | -0.3 | 111.9 | V255 G256 L257 Y263 W277 I278 F279 P280 | V255-R259 PolarHBondContact O-N 3.2Å; G256-R259 WeakPolarHBondContact O-CB 3.5Å; G256-R259 PolarHBondContact O-N 2.92Å; L257-R259 VanDerWaalsContact C-N 3.31Å; L257-R259 PolarHBondContact O-N 3.42Å; R259-Y263 WeakPolarHBondContact O-CB 3.34Å; R259-Y263 PolarHBondContact O-N 2.99Å; R259-W277 HydrophobicContact CG-CE3 4.25Å; R259-W277 VanDerWaalsContact NH2-CZ3 3.29Å; R259-I278 VanDerWaalsContact CA-CG2 3.48Å; R259-I278 HydrophobicContact CB-CG2 3.6Å; R259-I278 WeakPolarHBondContact CD-O 3.38Å; R259-I278 HydrophobicContact CG-CG2 3.99Å; R259-F279 PolarHBondContact NH1-O 3.37Å; R259-P280 PolarHBondContact NH1-O 3.47Å; R259-P280 VanDerWaalsContact NH1-O 3.14Å |
| 260 | F | 88.8 | Confident | 88.2 | Confident | 116 Ų | 116 | 75.9 Ų | 75.9 | 51% | 0.509 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -66.2 | -45.6 | 176.1 | -179.1 | -109.4 | 0 | 0 | 0 | 112.7 | G256 L257 L258 F262 Y263 L264 | G256-F260 PolarHBondContact O-N 2.87Å; L257-F260 CarbonylContact O-C 3.57Å; L257-F260 WeakPolarHBondContact O-CB 3.35Å; L257-F260 PolarHBondContact O-N 2.75Å; L257-F260 VanDerWaalsContact O-N 3.13Å; L258-F260 VanDerWaalsContact C-N 3.3Å; L258-F260 PolarHBondContact O-N 3.42Å; F260-F262 PolarHBondContact O-N 3.41Å; F260-Y263 PolarHBondContact O-N 3.42Å; F260-L264 HydrophobicContact CD1-CD1 3.89Å; F260-L264 HydrophobicContact CD1-CG 4.37Å; F260-L264 HydrophobicContact CE1-CD1 3.3Å; F260-L264 HydrophobicContact CE1-CG 3.99Å; F260-L264 HydrophobicContact CE2-CD1 4.34Å; F260-L264 HydrophobicContact CE2-CD2 4.37Å; F260-L264 HydrophobicContact CE2-CG 4.18Å; F260-L264 HydrophobicContact CZ-CD1 3.57Å; F260-L264 HydrophobicContact CZ-CD2 4.12Å; F260-L264 HydrophobicContact CZ-CG 3.88Å; F260-L264 WeakPolarHBondContact O-CG 3.48Å; F260-L264 PolarHBondContact O-N 3.43Å |
| 261 | C | 89.9 | Confident | 87.3 | Confident | 71 Ų | 71 | 82 Ų | 82 | 48% | 0.48 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -60.2 | -45.5 | 176.6 | -70.9 | 0 | 0 | 0 | 0 | 111.6 | L257 L258 L264 L265 | L257-C261 WeakPolarHBondContact O-CB 3.44Å; L257-C261 PolarHBondContact O-N 3.47Å; L257-C261 PolarHBondContact O-SG 2.96Å; L258-C261 PolarHBondContact O-N 3.25Å; C261-L264 PolarHBondContact O-N 3.27Å; C261-L265 WeakPolarHBondContact O-CB 3.36Å; C261-L265 PolarHBondContact O-N 2.87Å |
| 262 | F | 87.3 | Confident | 86.1 | Confident | 84 Ų | 84 | 79.2 Ų | 79.2 | 37% | 0.368 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -64.2 | -40.9 | 175.9 | -80.2 | -63.9 | 0 | 0 | 0 | 112.2 | L258 F260 L265 V266 F276 I278 | L258-F262 HydrophobicContact CB-CD2 4.45Å; L258-F262 HydrophobicContact CB-CE2 4.46Å; L258-F262 HydrophobicContact CD2-CE2 4.41Å; L258-F262 WeakPolarHBondContact O-CB 3.32Å; L258-F262 WeakPolarHBondContact O-CD2 3.18Å; L258-F262 PolarHBondContact O-N 3.2Å; F260-F262 PolarHBondContact O-N 3.41Å; F262-L265 PolarHBondContact O-N 3.37Å; F262-V266 WeakPolarHBondContact O-CB 3.2Å; F262-V266 WeakPolarHBondContact O-CG2 3.45Å; F262-V266 PolarHBondContact O-N 2.96Å; F262-F276 HydrophobicContact CB-CD1 4.17Å; F262-F276 HydrophobicContact CB-CE1 4.21Å; F262-F276 HydrophobicContact CD1-CE1 4.33Å; F262-F276 HydrophobicContact CG-CE1 4.29Å; F262-I278 HydrophobicContact CD2-CG2 4.31Å |
| 263 | Y | 84.2 | Confident | 85 | Confident | 81 Ų | 81 | 82.8 Ų | 82.8 | 32% | 0.318 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -60.7 | -45.6 | 173.9 | 178.2 | -96.5 | 0 | 0 | 0 | 111.4 | R259 F260 W267 W277 | R259-Y263 WeakPolarHBondContact O-CB 3.34Å; R259-Y263 PolarHBondContact O-N 2.99Å; F260-Y263 PolarHBondContact O-N 3.42Å; Y263-W267 WeakPolarHBondContact O-CB 3.38Å; Y263-W267 PolarHBondContact O-N 3.23Å; Y263-W277 HydrophobicContact CD2-CH2 4.2Å; Y263-W277 HydrophobicContact CD2-CZ2 4.17Å; Y263-W277 HydrophobicContact CD2-CZ3 4.38Å; Y263-W277 HydrophobicContact CE2-CH2 4.28Å; Y263-W277 HydrophobicContact CE2-CZ2 4.01Å |
| 264 | L | 86.4 | Confident | 83.8 | Confident | 64 Ų | 64 | 82.1 Ų | 82.1 | 34% | 0.335 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -62.3 | -44.3 | 175.3 | -76.2 | -177.4 | 0 | 0 | 0 | 112.4 | F260 C261 V266 W267 L268 | F260-L264 HydrophobicContact CD1-CD1 3.89Å; F260-L264 HydrophobicContact CD1-CG 4.37Å; F260-L264 HydrophobicContact CE1-CD1 3.3Å; F260-L264 HydrophobicContact CE1-CG 3.99Å; F260-L264 HydrophobicContact CE2-CD1 4.34Å; F260-L264 HydrophobicContact CE2-CD2 4.37Å; F260-L264 HydrophobicContact CE2-CG 4.18Å; F260-L264 HydrophobicContact CZ-CD1 3.57Å; F260-L264 HydrophobicContact CZ-CD2 4.12Å; F260-L264 HydrophobicContact CZ-CG 3.88Å; F260-L264 WeakPolarHBondContact O-CG 3.48Å; F260-L264 PolarHBondContact O-N 3.43Å; C261-L264 PolarHBondContact O-N 3.27Å; L264-V266 PolarHBondContact O-N 3.46Å; L264-W267 PolarHBondContact O-N 3.35Å; L264-L268 WeakPolarHBondContact O-CB 3.25Å; L264-L268 PolarHBondContact O-N 3.47Å |
| 265 | L | 87 | Confident | 82.4 | Confident | 112 Ų | 112 | 78.7 Ų | 78.7 | 59% | 0.586 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -64.1 | -42.8 | -178.4 | -151.7 | 76.3 | 0 | 0 | 0 | 111.2 | C261 F262 S269 | C261-L265 WeakPolarHBondContact O-CB 3.36Å; C261-L265 PolarHBondContact O-N 2.87Å; F262-L265 PolarHBondContact O-N 3.37Å; L265-S269 VanDerWaalsContact O-CB 3.25Å; L265-S269 WeakPolarHBondContact O-CB 3.2Å; L265-S269 PolarHBondContact O-N 2.99Å; L265-S269 PolarHBondContact O-OG 3.25Å |
| 266 | V | 84.8 | Confident | 81.6 | Confident | 32 Ų | 32 | 79.4 Ų | 79.4 | 19% | 0.194 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -70.9 | -40.5 | 176.5 | 172.6 | 0 | 0 | 0 | 0 | 111.1 | F262 L264 S269 T270 Y274 F276 | F262-V266 WeakPolarHBondContact O-CB 3.2Å; F262-V266 WeakPolarHBondContact O-CG2 3.45Å; F262-V266 PolarHBondContact O-N 2.96Å; L264-V266 PolarHBondContact O-N 3.46Å; V266-S269 PolarHBondContact O-N 3.15Å; V266-T270 WeakPolarHBondContact O-CB 3.18Å; V266-T270 PolarHBondContact O-N 3.35Å; V266-T270 PolarHBondContact O-OG1 3.41Å; V266-Y274 WeakPolarHBondContact CG1-O 3.25Å; V266-F276 HydrophobicContact CB-CB 4.14Å; V266-F276 HydrophobicContact CG1-CB 3.91Å; V266-F276 HydrophobicContact CG2-CB 3.75Å; V266-F276 HydrophobicContact CG2-CD1 4.12Å; V266-F276 HydrophobicContact CG2-CG 4.23Å |
| 267 | W | 83.6 | Confident | 80.7 | Confident | 139 Ų | 139 | 83 Ų | 83 | 53% | 0.527 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -63.5 | -45.3 | 177.1 | -177.2 | 79.2 | 0 | 0 | 0 | 112 | Y263 L264 L271 | Y263-W267 WeakPolarHBondContact O-CB 3.38Å; Y263-W267 PolarHBondContact O-N 3.23Å; L264-W267 PolarHBondContact O-N 3.35Å; W267-L271 PolarHBondContact O-N 2.9Å; W267-L271 VanDerWaalsContact O-N 3.08Å |
| 268 | L | 85.3 | Confident | 79.7 | Confident | 116 Ų | 116 | 79.5 Ų | 79.5 | 61% | 0.607 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -62.3 | -47.5 | 173.5 | -104.6 | 69.9 | 0 | 0 | 0 | 111.9 | L264 T270 | L264-L268 WeakPolarHBondContact O-CB 3.25Å; L264-L268 PolarHBondContact O-N 3.47Å; L268-T270 VanDerWaalsContact C-N 3.28Å; L268-T270 PolarHBondContact O-N 3.37Å |
| 269 | S | 84.2 | Confident | 78.8 | Confident | 100 Ų | 100 | 78 Ų | 78 | 70% | 0.699 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -70.5 | -26.5 | -175.5 | -58 | 0 | 0 | 0 | 0 | 112.9 | L265 V266 | L265-S269 VanDerWaalsContact O-CB 3.25Å; L265-S269 WeakPolarHBondContact O-CB 3.2Å; L265-S269 PolarHBondContact O-N 2.99Å; L265-S269 PolarHBondContact O-OG 3.25Å; V266-S269 PolarHBondContact O-N 3.15Å |
| 270 | T | 80.1 | Confident | 78 | Confident | 29 Ų | 29 | 78.1 Ų | 78.1 | 18% | 0.178 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -106.6 | -7.8 | -171.2 | -48.3 | 0 | 0 | 0 | 0 | 113.5 | V266 L268 G272 Q273 Y274 | V266-T270 WeakPolarHBondContact O-CB 3.18Å; V266-T270 PolarHBondContact O-N 3.35Å; V266-T270 PolarHBondContact O-OG1 3.41Å; L268-T270 VanDerWaalsContact C-N 3.28Å; L268-T270 PolarHBondContact O-N 3.37Å; T270-G272 PolarHBondContact O-N 3.49Å; T270-G272 VanDerWaalsContact O-N 3.08Å; T270-Q273 HydrophobicContact CG2-CB 3.63Å; T270-Q273 HydrophobicContact CG2-CG 4.42Å; T270-Q273 PolarHBondContact O-N 3.16Å; T270-Y274 HydrophobicContact CG2-CD2 3.2Å; T270-Y274 HydrophobicContact CG2-CE2 4.07Å; T270-Y274 HydrophobicContact CG2-CG 3.9Å; T270-Y274 VanDerWaalsContact CG2-N 3.33Å |
| 271 | L | 76.2 | Confident | 77.6 | Confident | 167 Ų | 167 | 74.8 Ų | 74.8 | 87% | 0.874 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.3 | 31 | -172.6 | -65.7 | 157.6 | 0 | 0 | 0 | 112.4 | W267 | W267-L271 PolarHBondContact O-N 2.9Å; W267-L271 VanDerWaalsContact O-N 3.08Å |
| 272 | G | 68.5 | Low | 76.9 | Confident | 38 Ų | 38 | 72.9 Ų | 72.9 | 39% | 0.392 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.1 | 3.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 118.4 | T270 | T270-G272 PolarHBondContact O-N 3.49Å; T270-G272 VanDerWaalsContact O-N 3.08Å |
| 273 | Q | 67.3 | Low | 76.3 | Confident | 124 Ų | 124 | 76 Ų | 76 | 58% | 0.579 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -83 | -14 | -178.8 | -51.9 | -169.8 | -16.2 | 0 | 0 | 116.2 | T270 A301 | T270-Q273 HydrophobicContact CG2-CB 3.63Å; T270-Q273 HydrophobicContact CG2-CG 4.42Å; T270-Q273 PolarHBondContact O-N 3.16Å; Q273-A301 WeakPolarHBondContact O-CB 3.43Å; Q273-A301 PolarHBondContact O-N 3.38Å |
| 274 | Y | 66.7 | Low | 76.1 | Confident | 98 Ų | 98 | 77.8 Ų | 77.8 | 38% | 0.384 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 130.1 | -178.5 | -71.6 | -75.7 | 0 | 0 | 0 | 109.8 | V266 T270 H300 | V266-Y274 WeakPolarHBondContact CG1-O 3.25Å; T270-Y274 HydrophobicContact CG2-CD2 3.2Å; T270-Y274 HydrophobicContact CG2-CE2 4.07Å; T270-Y274 HydrophobicContact CG2-CG 3.9Å; T270-Y274 VanDerWaalsContact CG2-N 3.33Å; Y274-H300 HydrophobicContact CD1-CB 4.43Å; Y274-H300 HydrophobicContact CE1-CB 4.14Å; Y274-H300 AromaticContact CE1-CD2 3.09Å; Y274-H300 WeakPolarHBondContact CE1-CD2 3.45Å; Y274-H300 AromaticContact CE1-CG 3.77Å; Y274-H300 AromaticContact CE1-NE2 3.83Å; Y274-H300 AromaticContact CZ-CD2 3.37Å; Y274-H300 AromaticContact CZ-NE2 3.61Å; Y274-H300 PolarHBondContact OH-CD2 3.16Å; Y274-H300 PolarHBondContact OH-NE2 3.49Å; Y274-H300 VanDerWaalsContact OH-NE2 3.14Å |
| 275 | S | 62.8 | Low | 75.6 | Confident | 44 Ų | 44 | 83 Ų | 83 | 31% | 0.308 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 98.2 | 169.8 | -70.6 | 0 | 0 | 0 | 0 | 108.3 | K299 | S275-K299 PolarHBondContact N-O 3.04Å; S275-K299 VanDerWaalsContact N-O 3.13Å; S275-K299 PolarHBondContact O-N 3.13Å; S275-K299 VanDerWaalsContact O-N 3.12Å |
| 276 | F | 71.4 | Confident | 75.1 | Confident | 34 Ų | 34 | 80.5 Ų | 80.5 | 15% | 0.149 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 122.7 | 171.2 | -179.2 | -112.9 | 0 | 0 | 0 | 109.6 | F262 V266 I278 Y296 L298 | F262-F276 HydrophobicContact CB-CD1 4.17Å; F262-F276 HydrophobicContact CB-CE1 4.21Å; F262-F276 HydrophobicContact CD1-CE1 4.33Å; F262-F276 HydrophobicContact CG-CE1 4.29Å; V266-F276 HydrophobicContact CB-CB 4.14Å; V266-F276 HydrophobicContact CG1-CB 3.91Å; V266-F276 HydrophobicContact CG2-CB 3.75Å; V266-F276 HydrophobicContact CG2-CD1 4.12Å; V266-F276 HydrophobicContact CG2-CG 4.23Å; F276-I278 HydrophobicContact CE1-CB 4.32Å; F276-I278 HydrophobicContact CE1-CD1 3.97Å; F276-I278 HydrophobicContact CZ-CD1 3.68Å; F276-Y296 HydrophobicContact CE2-CD2 4.27Å; F276-Y296 HydrophobicContact CE2-CG 4.29Å; F276-L298 HydrophobicContact CD2-CD1 3.18Å; F276-L298 HydrophobicContact CD2-CG 3.76Å; F276-L298 HydrophobicContact CE2-CD1 3.34Å; F276-L298 HydrophobicContact CE2-CG 4.39Å; F276-L298 HydrophobicContact CG-CD1 4.41Å |
| 277 | W | 71.7 | Confident | 75 | Confident | 95 Ų | 95 | 81.5 Ų | 81.5 | 36% | 0.36 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 114.8 | 174.3 | -67.8 | 98.6 | 0 | 0 | 0 | 109.3 | R259 Y263 Y296 S297 | R259-W277 HydrophobicContact CG-CE3 4.25Å; R259-W277 VanDerWaalsContact NH2-CZ3 3.29Å; Y263-W277 HydrophobicContact CD2-CH2 4.2Å; Y263-W277 HydrophobicContact CD2-CZ2 4.17Å; Y263-W277 HydrophobicContact CD2-CZ3 4.38Å; Y263-W277 HydrophobicContact CE2-CH2 4.28Å; Y263-W277 HydrophobicContact CE2-CZ2 4.01Å; W277-Y296 CarbonylContact O-C 3.33Å; W277-Y296 WeakPolarHBondContact O-CA 3.2Å; W277-S297 PolarHBondContact N-O 3.32Å; W277-S297 PolarHBondContact O-N 3.35Å |
| 278 | I | 70.2 | Confident | 74.8 | Confident | 27 Ų | 27 | 79.7 Ų | 79.7 | 14% | 0.138 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 136 | 165.7 | -150.6 | 78.9 | 0 | 0 | 0 | 108.1 | R259 F262 F276 L295 | R259-I278 VanDerWaalsContact CA-CG2 3.48Å; R259-I278 HydrophobicContact CB-CG2 3.6Å; R259-I278 WeakPolarHBondContact CD-O 3.38Å; R259-I278 HydrophobicContact CG-CG2 3.99Å; F262-I278 HydrophobicContact CD2-CG2 4.31Å; F276-I278 HydrophobicContact CE1-CB 4.32Å; F276-I278 HydrophobicContact CE1-CD1 3.97Å; F276-I278 HydrophobicContact CZ-CD1 3.68Å; I278-L295 CarbonylContact C-O 3.6Å; I278-L295 WeakPolarHBondContact CA-O 3.27Å; I278-L295 VanDerWaalsContact CD1-O 3.24Å; I278-L295 WeakPolarHBondContact CD1-O 3.37Å; I278-L295 VanDerWaalsContact CG1-O 3.25Å; I278-L295 WeakPolarHBondContact CG1-O 3.45Å |
| 279 | F | 72.4 | Confident | 74.7 | Confident | 34 Ų | 34 | 82.3 Ų | 82.3 | 15% | 0.149 | 43% | 0.433 | C | S | . | . | S | Bend | trans | 47.5 | 67.5 | -175.6 | -60.6 | -67.7 | 0 | 0 | 0 | 114.4 | V255 R259 N281 Y282 F292 L295 | V255-F279 HydrophobicContact CG1-CD2 3.79Å; V255-F279 HydrophobicContact CG1-CE2 4.07Å; R259-F279 PolarHBondContact NH1-O 3.37Å; F279-N281 PolarHBondContact O-N 3.4Å; F279-N281 VanDerWaalsContact O-N 3.09Å; F279-Y282 VanDerWaalsContact O-CB 3.31Å; F279-Y282 WeakPolarHBondContact O-CB 3.49Å; F279-Y282 PolarHBondContact O-N 2.97Å; F279-F292 HydrophobicContact CD1-CB 4.09Å; F279-F292 HydrophobicContact CD1-CD1 4.1Å; F279-F292 WeakPolarHBondContact CD1-O 3.44Å; F279-F292 HydrophobicContact CE1-CB 3.84Å; F279-F292 AromaticContact CE1-CD1 3.99Å; F279-F292 HydrophobicContact CE1-CD1 3.99Å; F279-F292 HydrophobicContact CE1-CG 4.41Å; F279-F292 VanDerWaalsContact CE1-O 3.23Å; F279-F292 WeakPolarHBondContact CE1-O 3.49Å; F279-F292 HydrophobicContact CG-CD1 4.43Å; F279-F292 HydrophobicContact CZ-CD1 4.25Å; F279-L295 HydrophobicContact CE1-CB 4.35Å; F279-L295 HydrophobicContact CE1-CD2 3.64Å; F279-L295 HydrophobicContact CE1-CG 3.72Å; F279-L295 HydrophobicContact CE2-CD2 4.43Å; F279-L295 HydrophobicContact CZ-CD2 3.49Å; F279-L295 VanDerWaalsContact CZ-CD2 3.49Å; F279-L295 HydrophobicContact CZ-CG 4.12Å; F279-L295 PolarHBondContact N-O 3.15Å |
| 280 | P | 70.4 | Confident | 74.5 | Confident | 35 Ų | 35 | 83.3 Ų | 83.3 | 23% | 0.227 | 43% | 0.426 | C | S | . | . | G | 310 helix | trans | -46.7 | -41.7 | 178.1 | 17.9 | -33.1 | 0 | 0 | 0 | 113.2 | R259 Y282 P294 | R259-P280 PolarHBondContact NH1-O 3.47Å; R259-P280 VanDerWaalsContact NH1-O 3.14Å; P280-Y282 VanDerWaalsContact C-N 3.32Å; P280-Y282 PolarHBondContact O-N 3.14Å; P280-P294 WeakPolarHBondContact CD-O 3.48Å; P280-P294 HydrophobicContact CG-CG 3.86Å |
| 281 | N | 79 | Confident | 74.6 | Confident | 46 Ų | 46 | 82.5 Ų | 82.5 | 25% | 0.246 | 42% | 0.422 | C | S | . | . | G | 310 helix | trans | -82.6 | 5.1 | -175.6 | -66.3 | -6.7 | 0 | 0 | 0 | 115.2 | F279 F283 E284 S291 R293 | F279-N281 PolarHBondContact O-N 3.4Å; F279-N281 VanDerWaalsContact O-N 3.09Å; N281-F283 PolarHBondContact O-N 3.01Å; N281-E284 HydrophobicContact CB-CB 4.41Å; N281-E284 PolarHBondContact O-N 3.3Å; N281-S291 CarbonylContact C-O 3.55Å; N281-S291 WeakPolarHBondContact O-CA 3.46Å; N281-S291 WeakPolarHBondContact O-CB 3.32Å; N281-R293 PolarHBondContact ND2-O 3.17Å |
| 282 | Y | 76.1 | Confident | 74.7 | Confident | 32 Ų | 32 | 76.8 Ų | 76.8 | 13% | 0.125 | 39% | 0.39 | C | S | . | . | G | 310 helix | trans | -60.7 | -32.1 | -175.4 | -174.8 | -102.1 | 0 | 0 | 0 | 114.1 | L252 V255 F279 P280 S291 F292 | L252-Y282 WeakPolarHBondContact CA-OH 3.38Å; L252-Y282 WeakPolarHBondContact CB-OH 3.45Å; L252-Y282 HydrophobicContact CD2-CE2 3.83Å; L252-Y282 WeakPolarHBondContact CD2-OH 3.19Å; L252-Y282 PolarHBondContact O-OH 3.24Å; V255-Y282 HydrophobicContact CB-CE2 4.21Å; V255-Y282 HydrophobicContact CG1-CD2 3.95Å; V255-Y282 HydrophobicContact CG1-CE2 3.87Å; F279-Y282 VanDerWaalsContact O-CB 3.31Å; F279-Y282 WeakPolarHBondContact O-CB 3.49Å; F279-Y282 PolarHBondContact O-N 2.97Å; P280-Y282 VanDerWaalsContact C-N 3.32Å; P280-Y282 PolarHBondContact O-N 3.14Å; Y282-S291 PolarHBondContact N-O 3.34Å; Y282-F292 HydrophobicContact CD2-CD1 4.23Å; Y282-F292 AromaticContact CD2-CE1 3.6Å; Y282-F292 HydrophobicContact CD2-CE1 3.6Å; Y282-F292 HydrophobicContact CD2-CZ 4.12Å; Y282-F292 AromaticContact CE2-CE1 3.55Å; Y282-F292 HydrophobicContact CE2-CE1 3.55Å; Y282-F292 AromaticContact CE2-CZ 3.8Å; Y282-F292 HydrophobicContact CE2-CZ 3.8Å |
| 283 | F | 73.4 | Confident | 75 | Confident | 150 Ų | 150 | 83.9 Ų | 83.9 | 66% | 0.658 | 41% | 0.405 | S | S | * | . | G | 310 helix | trans | -111.9 | 9.2 | 177.5 | -63.9 | -71.1 | 0 | 0 | 0 | 113 | N281 | N281-F283 PolarHBondContact O-N 3.01Š|
| 284 | E | 79.8 | Confident | 75.2 | Confident | 118 Ų | 118 | 81.4 Ų | 81.4 | 55% | 0.551 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -78.4 | 151.4 | 171.3 | -76.1 | -68 | 165.1 | 0 | 0 | 109.4 | N281 C286 | N281-E284 HydrophobicContact CB-CB 4.41Å; N281-E284 PolarHBondContact O-N 3.3Å; E284-C286 PolarHBondContact O-N 3.19Å |
| 285 | D | 76.3 | Confident | 75.4 | Confident | 172 Ų | 172 | 81.9 Ų | 81.9 | 92% | 0.92 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -70.7 | 61.2 | 179.9 | -73.2 | -32.1 | 0 | 0 | 0 | 111.3 | ||
| 286 | C | 77.7 | Confident | 75.9 | Confident | 61 Ų | 61 | 86.9 Ų | 86.9 | 41% | 0.412 | 42% | 0.421 | S | S | . | . | trans | -119.9 | 153.1 | -176.8 | -65 | 0 | 0 | 0 | 0 | 109.4 | E284 E290 S291 | E284-C286 PolarHBondContact O-N 3.19Å; C286-E290 HydrophobicContact CB-CB 3.83Å; C286-S291 PolarHBondContact O-OG 2.88Å | ||
| 287 | G | 82 | Confident | 75.7 | Confident | 52 Ų | 52 | 87.1 Ų | 87.1 | 54% | 0.536 | 43% | 0.427 | S | S | . | . | trans | -61.5 | 154.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | F289 E290 S291 | G287-F289 PolarHBondContact O-N 3.39Å; G287-E290 PolarHBondContact O-N 2.98Å; G287-S291 PolarHBondContact O-N 3.33Å; G287-S291 VanDerWaalsContact O-N 3.13Å; G287-S291 PolarHBondContact O-OG 3.22Å | ||
| 288 | F | 80.1 | Confident | 75.3 | Confident | 101 Ų | 101 | 88 Ų | 88 | 44% | 0.443 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -43.7 | -43 | -175.2 | 178.1 | -95.4 | 0 | 0 | 0 | 114.2 | L252 S291 F292 | L252-F288 HydrophobicContact CD2-CE2 4.27Å; F288-S291 PolarHBondContact O-N 3.41Å; F288-F292 HydrophobicContact CD1-CE2 4.09Å; F288-F292 AromaticContact CD2-CE2 3.67Å; F288-F292 HydrophobicContact CD2-CE2 3.67Å; F288-F292 HydrophobicContact CD2-CZ 4.31Å; F288-F292 HydrophobicContact CE1-CD2 4.37Å; F288-F292 AromaticContact CE1-CE2 3.86Å; F288-F292 HydrophobicContact CE1-CE2 3.86Å; F288-F292 AromaticContact CE2-CE2 3.42Å; F288-F292 HydrophobicContact CE2-CE2 3.42Å; F288-F292 VanDerWaalsContact CE2-CE2 3.42Å; F288-F292 AromaticContact CE2-CZ 3.83Å; F288-F292 HydrophobicContact CE2-CZ 3.83Å; F288-F292 AromaticContact CG-CE2 4Å; F288-F292 HydrophobicContact CG-CE2 4Å; F288-F292 HydrophobicContact CZ-CD2 4.4Å; F288-F292 AromaticContact CZ-CE2 3.52Å; F288-F292 HydrophobicContact CZ-CE2 3.52Å; F288-F292 HydrophobicContact CZ-CZ 4.11Å; F288-F292 WeakPolarHBondContact O-CD2 3.31Å; F288-F292 VanDerWaalsContact O-CE2 3.22Å; F288-F292 WeakPolarHBondContact O-CE2 3.09Å |
| 289 | F | 82.1 | Confident | 75.1 | Confident | 172 Ų | 172 | 92.5 Ų | 92.5 | 75% | 0.754 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -72.5 | -31.7 | -178.8 | -64.9 | -71.9 | 0 | 0 | 0 | 114.6 | G287 | G287-F289 PolarHBondContact O-N 3.39Å |
| 290 | E | 80.4 | Confident | 74.2 | Confident | 120 Ų | 120 | 94.5 Ų | 94.5 | 56% | 0.561 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -75.9 | -29.4 | 177 | -72.5 | -65.8 | 164.2 | 0 | 0 | 111 | C286 G287 F292 R293 | C286-E290 HydrophobicContact CB-CB 3.83Å; G287-E290 PolarHBondContact O-N 2.98Å; E290-F292 PolarHBondContact O-N 3.5Å; E290-R293 PolarHBondContact O-N 3.22Å |
| 291 | S | 83.3 | Confident | 73.6 | Confident | 12 Ų | 12 | 95 Ų | 95 | 8% | 0.084 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -60.8 | -27.5 | 177.6 | -53.9 | 0 | 0 | 0 | 0 | 113.7 | N281 Y282 C286 G287 F288 | N281-S291 CarbonylContact C-O 3.55Å; N281-S291 WeakPolarHBondContact O-CA 3.46Å; N281-S291 WeakPolarHBondContact O-CB 3.32Å; Y282-S291 PolarHBondContact N-O 3.34Å; C286-S291 PolarHBondContact O-OG 2.88Å; G287-S291 PolarHBondContact O-N 3.33Å; G287-S291 VanDerWaalsContact O-N 3.13Å; G287-S291 PolarHBondContact O-OG 3.22Å; F288-S291 PolarHBondContact O-N 3.41Å |
| 292 | F | 77.7 | Confident | 72.2 | Confident | 47 Ų | 47 | 97.2 Ų | 97.2 | 21% | 0.206 | 49% | 0.492 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | 9 | -178.9 | -58.4 | -74 | 0 | 0 | 0 | 114.5 | L252 V255 F279 Y282 F288 E290 | L252-F292 HydrophobicContact CD2-CZ 4.2Å; V255-F292 HydrophobicContact CG1-CE1 4.29Å; F279-F292 HydrophobicContact CD1-CB 4.09Å; F279-F292 HydrophobicContact CD1-CD1 4.1Å; F279-F292 WeakPolarHBondContact CD1-O 3.44Å; F279-F292 HydrophobicContact CE1-CB 3.84Å; F279-F292 AromaticContact CE1-CD1 3.99Å; F279-F292 HydrophobicContact CE1-CD1 3.99Å; F279-F292 HydrophobicContact CE1-CG 4.41Å; F279-F292 VanDerWaalsContact CE1-O 3.23Å; F279-F292 WeakPolarHBondContact CE1-O 3.49Å; F279-F292 HydrophobicContact CG-CD1 4.43Å; F279-F292 HydrophobicContact CZ-CD1 4.25Å; Y282-F292 HydrophobicContact CD2-CD1 4.23Å; Y282-F292 AromaticContact CD2-CE1 3.6Å; Y282-F292 HydrophobicContact CD2-CE1 3.6Å; Y282-F292 HydrophobicContact CD2-CZ 4.12Å; Y282-F292 AromaticContact CE2-CE1 3.55Å; Y282-F292 HydrophobicContact CE2-CE1 3.55Å; Y282-F292 AromaticContact CE2-CZ 3.8Å; Y282-F292 HydrophobicContact CE2-CZ 3.8Å; F288-F292 HydrophobicContact CD1-CE2 4.09Å; F288-F292 AromaticContact CD2-CE2 3.67Å; F288-F292 HydrophobicContact CD2-CE2 3.67Å; F288-F292 HydrophobicContact CD2-CZ 4.31Å; F288-F292 HydrophobicContact CE1-CD2 4.37Å; F288-F292 AromaticContact CE1-CE2 3.86Å; F288-F292 HydrophobicContact CE1-CE2 3.86Å; F288-F292 AromaticContact CE2-CE2 3.42Å; F288-F292 HydrophobicContact CE2-CE2 3.42Å; F288-F292 VanDerWaalsContact CE2-CE2 3.42Å; F288-F292 AromaticContact CE2-CZ 3.83Å; F288-F292 HydrophobicContact CE2-CZ 3.83Å; F288-F292 AromaticContact CG-CE2 4Å; F288-F292 HydrophobicContact CG-CE2 4Å; F288-F292 HydrophobicContact CZ-CD2 4.4Å; F288-F292 AromaticContact CZ-CE2 3.52Å; F288-F292 HydrophobicContact CZ-CE2 3.52Å; F288-F292 HydrophobicContact CZ-CZ 4.11Å; F288-F292 WeakPolarHBondContact O-CD2 3.31Å; F288-F292 VanDerWaalsContact O-CE2 3.22Å; F288-F292 WeakPolarHBondContact O-CE2 3.09Å; E290-F292 PolarHBondContact O-N 3.5Å |
| 293 | R | 74.8 | Confident | 71.2 | Confident | 187 Ų | 187 | 101.3 Ų | 101.3 | 71% | 0.706 | 52% | 0.516 | S | S | * | . | trans | -128.7 | 132 | 174.2 | -66.4 | -173.9 | -178 | -177 | 2.2 | 109.4 | N281 E290 | N281-R293 PolarHBondContact ND2-O 3.17Å; E290-R293 PolarHBondContact O-N 3.22Å | ||
| 294 | P | 70.9 | Confident | 70.4 | Confident | 73 Ų | 73 | 99.3 Ų | 99.3 | 47% | 0.474 | 52% | 0.516 | S | S | . | . | S | Bend | cis | -76.1 | 156.7 | -5.1 | 31.7 | -34.5 | 0 | 0 | 0 | 112.7 | P280 Y296 | P280-P294 WeakPolarHBondContact CD-O 3.48Å; P280-P294 HydrophobicContact CG-CG 3.86Å; P294-Y296 VanDerWaalsContact C-N 3.33Å; P294-Y296 PolarHBondContact O-N 3.39Å |
| 295 | L | 71.6 | Confident | 69 | Low | 107 Ų | 107 | 101.3 Ų | 101.3 | 56% | 0.56 | 53% | 0.53 | S | S | * | . | S | Bend | trans | -65.9 | -30 | -178.4 | -89.9 | 128.8 | 0 | 0 | 0 | 113.9 | I278 F279 | I278-L295 CarbonylContact C-O 3.6Å; I278-L295 WeakPolarHBondContact CA-O 3.27Å; I278-L295 VanDerWaalsContact CD1-O 3.24Å; I278-L295 WeakPolarHBondContact CD1-O 3.37Å; I278-L295 VanDerWaalsContact CG1-O 3.25Å; I278-L295 WeakPolarHBondContact CG1-O 3.45Å; F279-L295 HydrophobicContact CE1-CB 4.35Å; F279-L295 HydrophobicContact CE1-CD2 3.64Å; F279-L295 HydrophobicContact CE1-CG 3.72Å; F279-L295 HydrophobicContact CE2-CD2 4.43Å; F279-L295 HydrophobicContact CZ-CD2 3.49Å; F279-L295 VanDerWaalsContact CZ-CD2 3.49Å; F279-L295 HydrophobicContact CZ-CG 4.12Å; F279-L295 PolarHBondContact N-O 3.15Å |
| 296 | Y | 72.1 | Confident | 67.1 | Low | 149 Ų | 149 | 96.3 Ų | 96.3 | 58% | 0.584 | 51% | 0.512 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 152.5 | -178.7 | 63.4 | -90.1 | 0 | 0 | 0 | 111.8 | F276 W277 P294 L298 | F276-Y296 HydrophobicContact CE2-CD2 4.27Å; F276-Y296 HydrophobicContact CE2-CG 4.29Å; W277-Y296 CarbonylContact O-C 3.33Å; W277-Y296 WeakPolarHBondContact O-CA 3.2Å; P294-Y296 VanDerWaalsContact C-N 3.33Å; P294-Y296 PolarHBondContact O-N 3.39Å; Y296-L298 HydrophobicContact CD2-CD1 4.27Å |
| 297 | S | 68.9 | Low | 65.2 | Low | 40 Ų | 40 | 98.7 Ų | 98.7 | 28% | 0.28 | 53% | 0.526 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 116.7 | 168.4 | -171.8 | 0 | 0 | 0 | 0 | 108.5 | W277 | W277-S297 PolarHBondContact N-O 3.32Å; W277-S297 PolarHBondContact O-N 3.35Å |
| 298 | L | 62 | Low | 63.3 | Low | 112 Ų | 112 | 101.9 Ų | 101.9 | 59% | 0.586 | 54% | 0.541 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 123.9 | 165.3 | -97.9 | 88.7 | 0 | 0 | 0 | 108.1 | F276 Y296 | F276-L298 HydrophobicContact CD2-CD1 3.18Å; F276-L298 HydrophobicContact CD2-CG 3.76Å; F276-L298 HydrophobicContact CE2-CD1 3.34Å; F276-L298 HydrophobicContact CE2-CG 4.39Å; F276-L298 HydrophobicContact CG-CD1 4.41Å; Y296-L298 HydrophobicContact CD2-CD1 4.27Å |
| 299 | K | 65.7 | Low | 61.2 | Low | 123 Ų | 123 | 104.2 Ų | 104.2 | 54% | 0.535 | 56% | 0.558 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -114.9 | 126.4 | 162.3 | -68.9 | -174.9 | 177.8 | 174.7 | 0 | 109.2 | S275 | S275-K299 PolarHBondContact N-O 3.04Å; S275-K299 VanDerWaalsContact N-O 3.13Å; S275-K299 PolarHBondContact O-N 3.13Å; S275-K299 VanDerWaalsContact O-N 3.12Å |
| 300 | H | 53.2 | Low | 59.1 | Low | 75 Ų | 75 | 106 Ų | 106 | 35% | 0.347 | 57% | 0.565 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -74.2 | 137.2 | 169.9 | -167.1 | -77.9 | 0 | 0 | 0 | 108.1 | Y274 C302 D303 | Y274-H300 HydrophobicContact CD1-CB 4.43Å; Y274-H300 HydrophobicContact CE1-CB 4.14Å; Y274-H300 AromaticContact CE1-CD2 3.09Å; Y274-H300 WeakPolarHBondContact CE1-CD2 3.45Å; Y274-H300 AromaticContact CE1-CG 3.77Å; Y274-H300 AromaticContact CE1-NE2 3.83Å; Y274-H300 AromaticContact CZ-CD2 3.37Å; Y274-H300 AromaticContact CZ-NE2 3.61Å; Y274-H300 PolarHBondContact OH-CD2 3.16Å; Y274-H300 PolarHBondContact OH-NE2 3.49Å; Y274-H300 VanDerWaalsContact OH-NE2 3.14Å; H300-C302 VanDerWaalsContact CE1-SG 3.56Å; H300-C302 PolarHBondContact ND1-N 3.09Å; H300-C302 PolarHBondContact ND1-SG 3.35Å; H300-C302 PolarHBondContact O-N 3.12Å; H300-D303 PolarHBondContact O-N 3.34Å |
| 301 | A | 58.3 | Low | 57.1 | Low | 47 Ų | 47 | 111.7 Ų | 111.7 | 39% | 0.388 | 58% | 0.582 | S | S | . | * | G | 310 helix | trans | -59 | -11.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q273 D303 | Q273-A301 WeakPolarHBondContact O-CB 3.43Å; Q273-A301 PolarHBondContact O-N 3.38Å; A301-D303 VanDerWaalsContact C-N 3.31Å |
| 302 | C | 49.7 | Very low | 54.8 | Low | 91 Ų | 91 | 116.8 Ų | 116.8 | 62% | 0.615 | 62% | 0.618 | S | S | * | * | G | 310 helix | trans | -75 | -17 | 173.3 | -66.6 | 0 | 0 | 0 | 0 | 113.8 | H300 | H300-C302 VanDerWaalsContact CE1-SG 3.56Å; H300-C302 PolarHBondContact ND1-N 3.09Å; H300-C302 PolarHBondContact ND1-SG 3.35Å; H300-C302 PolarHBondContact O-N 3.12Å |
| 303 | D | 55.3 | Low | 52.6 | Low | 118 Ų | 118 | 124.9 Ų | 124.9 | 63% | 0.631 | 65% | 0.652 | S | S | * | * | G | 310 helix | trans | -90.5 | -1.4 | 179.8 | -75.4 | -25.4 | 0 | 0 | 0 | 113.8 | H300 A301 L305 | H300-D303 PolarHBondContact O-N 3.34Å; A301-D303 VanDerWaalsContact C-N 3.31Å; D303-L305 VanDerWaalsContact C-N 3.32Å |
| 304 | V | 55.7 | Low | 50.8 | Low | 109 Ų | 109 | 121.3 Ų | 121.3 | 66% | 0.661 | 66% | 0.656 | S | S | * | * | G | 310 helix | trans | -84.6 | -6.9 | 179.1 | -171.4 | 0 | 0 | 0 | 0 | 112.3 | ||
| 305 | L | 50.6 | Low | 49 | Very low | 160 Ų | 160 | 126.9 Ų | 126.9 | 84% | 0.838 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -124 | 14.1 | 179 | -72.4 | 172.4 | 0 | 0 | 0 | 114.7 | D303 P307 | D303-L305 VanDerWaalsContact C-N 3.32Å; L305-P307 WeakPolarHBondContact O-CD 3.16Å |
| 306 | A | 37.6 | Very low | 47.2 | Very low | 66 Ų | 66 | 128.1 Ų | 128.1 | 55% | 0.545 | 69% | 0.685 | S | S | . | * | trans | -105.6 | 93 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112 | S308 | A306-S308 PolarHBondContact O-N 2.79Š| ||
| 307 | P | 38.4 | Very low | 45.4 | Very low | 111 Ų | 111 | 129.7 Ų | 129.7 | 72% | 0.721 | 69% | 0.694 | S | S | * | * | trans | -65.2 | 122.1 | 152.5 | 28.9 | -28.3 | 0 | 0 | 0 | 106.6 | L305 N309 | L305-P307 WeakPolarHBondContact O-CD 3.16Å; P307-N309 VanDerWaalsContact C-N 3.32Å; P307-N309 PolarHBondContact O-N 3.26Å | ||
| 308 | S | 41.2 | Very low | 43.7 | Very low | 120 Ų | 120 | 132 Ų | 132 | 84% | 0.839 | 71% | 0.711 | S | S | * | * | trans | -64.3 | 92 | 179.7 | 69.1 | 0 | 0 | 0 | 0 | 110.5 | A306 | A306-S308 PolarHBondContact O-N 2.79Š| ||
| 309 | N | 36.8 | Very low | 42.3 | Very low | 149 Ų | 149 | 132.5 Ų | 132.5 | 80% | 0.797 | 72% | 0.719 | S | S | * | * | trans | -115.3 | 79.4 | 167 | -111.3 | -12.5 | 0 | 0 | 0 | 107.9 | P307 | P307-N309 VanDerWaalsContact C-N 3.32Å; P307-N309 PolarHBondContact O-N 3.26Å | ||
| 310 | K | 36.6 | Very low | 40.9 | Very low | 211 Ų | 211 | 131.2 Ų | 131.2 | 92% | 0.917 | 73% | 0.725 | S | S | * | * | trans | -94.2 | 101.2 | 157.5 | -78.7 | -179.1 | 176 | 176.6 | 0 | 105 | ||||
| 311 | R | 38.2 | Very low | 40 | Very low | 238 Ų | 238 | 134.3 Ų | 134.3 | 90% | 0.898 | 74% | 0.744 | S | S | * | * | 44.2 | 90.6 | 55.9 | -100.5 | -171.1 | -176.8 | -176.4 | 2.9 | 113 | |||||
| 312 | S | 35.4 | Very low | 39 | Very low | 120 Ų | 120 | 137.9 Ų | 137.9 | 84% | 0.839 | 76% | 0.761 | S | S | * | * | trans | -159.9 | 103.2 | 134.1 | 49.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 313 | K | 32.7 | Very low | 38.3 | Very low | 216 Ų | 216 | 138.2 Ų | 138.2 | 94% | 0.939 | 76% | 0.764 | S | S | * | * | trans | -140.7 | 88.6 | 162.8 | -166.4 | 168.7 | -172.9 | 169.5 | 0 | 108.1 | ||||
| 314 | S | 35.8 | Very low | 37.3 | Very low | 112 Ų | 112 | 137.8 Ų | 137.8 | 78% | 0.783 | 77% | 0.766 | S | S | * | * | trans | -160.3 | 131.9 | 162.4 | 59.1 | 0 | 0 | 0 | 0 | 104.5 | ||||
| 315 | K | 33.7 | Very low | 36.3 | Very low | 191 Ų | 191 | 139.5 Ų | 139.5 | 83% | 0.83 | 77% | 0.77 | S | S | * | * | cis | -179.6 | 154.9 | 1.9 | -166.9 | 179.1 | -174.2 | 174.8 | 0 | 101.4 | ||||
| 316 | V | 34.4 | Very low | 35.7 | Very low | 133 Ų | 133 | 138.8 Ų | 138.8 | 81% | 0.806 | 77% | 0.767 | S | S | * | * | trans | 77.7 | 136.7 | 164.7 | -166.6 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 317 | K | 33.4 | Very low | 35.5 | Very low | 181 Ų | 181 | 144.4 Ų | 144.4 | 79% | 0.787 | 78% | 0.779 | S | S | * | * | cis | 178.5 | 150.9 | -18.9 | -175.6 | -175.5 | 178 | 178.8 | 0 | 103.1 | ||||
| 318 | S | 33.4 | Very low | 35.5 | Very low | 89 Ų | 89 | 143.1 Ų | 143.1 | 62% | 0.622 | 78% | 0.778 | S | S | * | * | trans | 75.6 | 99.9 | 161.5 | 2.3 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 319 | T | 33.4 | Very low | 35.1 | Very low | 123 Ų | 123 | 142.3 Ų | 142.3 | 76% | 0.755 | 77% | 0.768 | S | S | * | * | 96.1 | 129.3 | 78.5 | 46.4 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 320 | S | 35 | Very low | 35.3 | Very low | 95 Ų | 95 | 140.2 Ų | 140.2 | 66% | 0.664 | 77% | 0.765 | S | S | * | * | trans | 60.7 | 136.8 | 145.9 | 54.5 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 321 | D | 35.1 | Very low | 35.6 | Very low | 141 Ų | 141 | 135.2 Ų | 135.2 | 75% | 0.754 | 76% | 0.757 | S | S | * | * | cis | -169.4 | 137.9 | 11.4 | -96.4 | -22.5 | 0 | 0 | 0 | 106.5 | ||||
| 322 | V | 37.1 | Very low | 35.6 | Very low | 121 Ų | 121 | 129.4 Ų | 129.4 | 73% | 0.733 | 75% | 0.753 | S | S | * | * | 90.8 | 122.3 | 107.5 | 175.2 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 323 | S | 35 | Very low | 35.6 | Very low | 98 Ų | 98 | 131.1 Ų | 131.1 | 69% | 0.685 | 75% | 0.753 | S | S | * | * | trans | 90.2 | 143.4 | 138.3 | 68.5 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 324 | T | 34.5 | Very low | 35.7 | Very low | 109 Ų | 109 | 127.2 Ų | 127.2 | 67% | 0.669 | 75% | 0.747 | S | S | * | * | trans | 96.9 | 95.2 | 148.4 | -28.6 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 325 | I | 34.7 | Very low | 36 | Very low | 145 Ų | 145 | 126.3 Ų | 126.3 | 74% | 0.744 | 74% | 0.741 | S | S | * | * | 66.4 | 121.4 | 66.2 | -44.5 | 159.1 | 0 | 0 | 0 | 112.8 | |||||
| 326 | D | 37.7 | Very low | 36.1 | Very low | 146 Ų | 146 | 124.3 Ų | 124.3 | 78% | 0.781 | 75% | 0.745 | S | S | * | * | trans | 160.4 | 115.1 | 143.6 | -79.3 | -18.4 | 0 | 0 | 0 | 108.2 | ||||
| 327 | F | 32.5 | Very low | 36.2 | Very low | 183 Ų | 183 | 122.6 Ų | 122.6 | 80% | 0.803 | 74% | 0.744 | S | S | * | * | 90.6 | 142.3 | 51.4 | -157.7 | -89.9 | 0 | 0 | 0 | 114.2 | |||||
| 328 | A | 40 | Very low | 36.4 | Very low | 84 Ų | 84 | 120.9 Ų | 120.9 | 69% | 0.694 | 75% | 0.75 | S | S | * | * | trans | 102.5 | 105.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 329 | T | 32.2 | Very low | 36.4 | Very low | 103 Ų | 103 | 120.5 Ų | 120.5 | 63% | 0.632 | 76% | 0.759 | S | S | * | * | cis | 86.9 | 128 | 34.1 | -52.7 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 330 | S | 40.7 | Very low | 36.7 | Very low | 105 Ų | 105 | 119.9 Ų | 119.9 | 73% | 0.734 | 76% | 0.76 | S | S | * | * | trans | 82.4 | 144.4 | 161.2 | -62.7 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 331 | S | 42.1 | Very low | 36.7 | Very low | 106 Ų | 106 | 123.2 Ų | 123.2 | 74% | 0.741 | 77% | 0.77 | S | S | * | * | cis | 172.9 | 136.8 | -10.1 | -90.2 | 0 | 0 | 0 | 0 | 104.1 | ||||
| 332 | S | 38.1 | Very low | 37.1 | Very low | 117 Ų | 117 | 120.8 Ų | 120.8 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | trans | 158.7 | 129.8 | 132.3 | 63.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 333 | N | 36.6 | Very low | 37.3 | Very low | 155 Ų | 155 | 121.6 Ų | 121.6 | 83% | 0.829 | 77% | 0.77 | S | S | * | * | trans | -64.2 | 159.9 | -177.2 | -51.5 | -36.5 | 0 | 0 | 0 | 114.1 | ||||
| 334 | T | 34.8 | Very low | 37.5 | Very low | 134 Ų | 134 | 123.8 Ų | 123.8 | 82% | 0.822 | 77% | 0.773 | S | S | * | * | -176.9 | 138.7 | 114.2 | -70 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 335 | S | 41.4 | Very low | 37.8 | Very low | 94 Ų | 94 | 124.4 Ų | 124.4 | 66% | 0.657 | 78% | 0.776 | S | S | * | * | trans | -49.6 | 144.5 | -178.6 | 48.1 | 0 | 0 | 0 | 0 | 119 | ||||
| 336 | T | 36.7 | Very low | 37.9 | Very low | 148 Ų | 148 | 125.2 Ų | 125.2 | 91% | 0.908 | 78% | 0.777 | S | S | * | * | -172.2 | 134.7 | 111.6 | 14 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 337 | A | 36 | Very low | 37.8 | Very low | 97 Ų | 97 | 126 Ų | 126 | 80% | 0.802 | 78% | 0.78 | S | S | * | * | trans | -105.3 | 134.6 | -172 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 338 | T | 36.5 | Very low | 38.1 | Very low | 146 Ų | 146 | 124.7 Ų | 124.7 | 90% | 0.896 | 78% | 0.781 | S | S | * | * | trans | -154 | 108.8 | 158.4 | -4.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 339 | G | 34.4 | Very low | 37.8 | Very low | 80 Ų | 80 | 126.4 Ų | 126.4 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | trans | 52.6 | 105.9 | 145.3 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 340 | S | 40.1 | Very low | 37.9 | Very low | 111 Ų | 111 | 128 Ų | 128 | 78% | 0.776 | 80% | 0.796 | S | S | * | * | trans | 173.9 | 92.7 | 136.3 | 166.2 | 0 | 0 | 0 | 0 | 110 | A342 | S340-A342 PolarHBondContact O-N 2.81Š| ||
| 341 | D | 34.4 | Very low | 37.9 | Very low | 164 Ų | 164 | 132 Ų | 132 | 88% | 0.877 | 80% | 0.8 | S | S | * | * | trans | -77.6 | 99.7 | 166.6 | -78.6 | -42.2 | 0 | 0 | 0 | 110 | ||||
| 342 | A | 43.4 | Very low | 37.5 | Very low | 90 Ų | 90 | 132.6 Ų | 132.6 | 74% | 0.744 | 80% | 0.8 | S | S | * | * | trans | -130.8 | 104.5 | 155.5 | 0 | 0 | 0 | 0 | 0 | 107.3 | S340 | S340-A342 PolarHBondContact O-N 2.81Š| ||
| 343 | N | 42.5 | Very low | 37.3 | Very low | 139 Ų | 139 | 133.1 Ų | 133.1 | 74% | 0.743 | 80% | 0.798 | S | S | * | * | trans | -137.5 | 136.3 | -173.9 | -114.2 | -23.5 | 0 | 0 | 0 | 102.3 | ||||
| 344 | I | 38.9 | Very low | 37.3 | Very low | 143 Ų | 143 | 132.1 Ų | 132.1 | 73% | 0.733 | 80% | 0.798 | S | S | * | * | cis | -164.1 | 153.2 | 27.8 | -60.9 | -171.7 | 0 | 0 | 0 | 105.2 | ||||
| 345 | V | 39.3 | Very low | 37.4 | Very low | 122 Ų | 122 | 135.2 Ų | 135.2 | 74% | 0.739 | 80% | 0.8 | S | S | * | * | trans | 149.8 | 106.4 | 132.6 | 171.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 346 | Q | 38.1 | Very low | 37.4 | Very low | 163 Ų | 163 | 135.9 Ų | 135.9 | 76% | 0.762 | 80% | 0.802 | S | S | * | * | trans | 100.1 | 72.8 | 150.3 | -59 | -91.1 | -4.3 | 0 | 0 | 118.6 | ||||
| 347 | L | 34.9 | Very low | 37.7 | Very low | 161 Ų | 161 | 134.4 Ų | 134.4 | 84% | 0.843 | 80% | 0.795 | S | S | * | * | trans | -60 | 135.4 | 136.6 | -172.4 | 84.4 | 0 | 0 | 0 | 110.4 | ||||
| 348 | L | 39 | Very low | 38 | Very low | 156 Ų | 156 | 137.9 Ų | 137.9 | 82% | 0.817 | 79% | 0.794 | S | S | * | * | trans | -171.9 | 129.5 | 137.8 | -99.9 | 161.9 | 0 | 0 | 0 | 112.1 | ||||
| 349 | C | 33.6 | Very low | 38 | Very low | 120 Ų | 120 | 139 Ų | 139 | 81% | 0.811 | 79% | 0.79 | S | S | * | * | trans | 88.8 | 82.5 | 157.6 | -120.5 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 350 | T | 34.1 | Very low | 38.2 | Very low | 136 Ų | 136 | 141.1 Ų | 141.1 | 83% | 0.834 | 79% | 0.786 | S | S | * | * | trans | -76 | 139.4 | 146.1 | 45.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 351 | K | 40.1 | Very low | 38.2 | Very low | 189 Ų | 189 | 145.7 Ų | 145.7 | 82% | 0.822 | 79% | 0.792 | S | S | * | * | trans | -163.4 | 107.8 | 144.6 | -113 | 179.6 | -178.1 | -177.8 | 0 | 113 | ||||
| 352 | T | 35.3 | Very low | 38.5 | Very low | 120 Ų | 120 | 142.4 Ų | 142.4 | 74% | 0.736 | 78% | 0.778 | S | S | * | * | trans | 60.4 | 101.8 | 131 | 49.6 | 0 | 0 | 0 | 0 | 121 | ||||
| 353 | T | 33.4 | Very low | 38.5 | Very low | 128 Ų | 128 | 147.5 Ų | 147.5 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | 4.7 | 136.9 | 115.5 | -45.5 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 354 | T | 36.8 | Very low | 38.5 | Very low | 134 Ų | 134 | 147.6 Ų | 147.6 | 82% | 0.822 | 78% | 0.784 | S | S | * | * | -177.4 | 153 | 85.5 | -44 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 355 | K | 36.5 | Very low | 39 | Very low | 199 Ų | 199 | 146.4 Ų | 146.4 | 87% | 0.865 | 78% | 0.783 | S | S | * | * | trans | -49.1 | 169.1 | -174.4 | -103.7 | -178.6 | 166.3 | -177.3 | 0 | 121.5 | ||||
| 356 | P | 40.6 | Very low | 39.3 | Very low | 108 Ų | 108 | 147 Ų | 147 | 70% | 0.701 | 78% | 0.781 | S | S | * | * | trans | -106.3 | 177.8 | -178.8 | 42.7 | -31.6 | 0 | 0 | 0 | 114.9 | ||||
| 357 | P | 44.8 | Very low | 39.8 | Very low | 117 Ų | 117 | 147.5 Ų | 147.5 | 76% | 0.76 | 78% | 0.781 | S | S | * | * | trans | -133.9 | 172.2 | 144.1 | 35.5 | -19.1 | 0 | 0 | 0 | 110.5 | ||||
| 358 | E | 42.1 | Very low | 40.6 | Very low | 169 Ų | 169 | 149.6 Ų | 149.6 | 79% | 0.79 | 78% | 0.777 | S | S | * | * | cis | 173.1 | 162.2 | -10.4 | 179.9 | 173.4 | -176.1 | 0 | 0 | 105.2 | ||||
| 359 | E | 36.6 | Very low | 41.1 | Very low | 170 Ų | 170 | 147.5 Ų | 147.5 | 79% | 0.794 | 77% | 0.767 | S | S | * | * | trans | 81.3 | 88.7 | 155.8 | -98.6 | -173.1 | 152.5 | 0 | 0 | 123.4 | ||||
| 360 | V | 37.4 | Very low | 42.2 | Very low | 125 Ų | 125 | 149.4 Ų | 149.4 | 76% | 0.758 | 77% | 0.768 | S | S | * | * | 15 | 125.3 | 116.3 | -173.6 | 0 | 0 | 0 | 0 | 119 | V362 | V360-V362 HydrophobicContact CG1-CG2 4.01Š| |||
| 361 | K | 40.2 | Very low | 43.3 | Very low | 206 Ų | 206 | 149.3 Ų | 149.3 | 90% | 0.896 | 76% | 0.761 | S | S | * | * | trans | -139.6 | 121.5 | 145.7 | -154.3 | 167 | -171.4 | 172 | 0 | 113.1 | ||||
| 362 | V | 41.8 | Very low | 44 | Very low | 95 Ų | 95 | 146.4 Ų | 146.4 | 58% | 0.576 | 75% | 0.753 | S | S | * | * | trans | -72.9 | 148 | 179 | 174.6 | 0 | 0 | 0 | 0 | 112.2 | V360 | V360-V362 HydrophobicContact CG1-CG2 4.01Š| ||
| 363 | K | 42.6 | Very low | 45 | Very low | 197 Ų | 197 | 148.1 Ų | 148.1 | 86% | 0.857 | 76% | 0.758 | S | S | * | * | trans | 178.6 | 97.1 | 138.3 | -97.3 | 163.9 | -175.2 | -168.1 | 0 | 109.6 | ||||
| 364 | N | 43 | Very low | 46.2 | Very low | 141 Ų | 141 | 154.7 Ų | 154.7 | 75% | 0.754 | 78% | 0.779 | S | S | * | * | 60.9 | 127.8 | 77.3 | -96 | -4.2 | 0 | 0 | 0 | 116.5 | |||||
| 365 | V | 48.5 | Very low | 46.6 | Very low | 119 Ų | 119 | 155.7 Ų | 155.7 | 72% | 0.721 | 78% | 0.777 | S | S | * | * | trans | 99.4 | 109.2 | 138.8 | 173.6 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 366 | L | 46.3 | Very low | 47.2 | Very low | 134 Ų | 134 | 153.4 Ų | 153.4 | 70% | 0.702 | 77% | 0.772 | S | S | * | * | 158.8 | 98.2 | 129.8 | -88.9 | 150.1 | 0 | 0 | 0 | 108.6 | |||||
| 367 | K | 49 | Very low | 47.5 | Very low | 174 Ų | 174 | 155.9 Ų | 155.9 | 76% | 0.757 | 78% | 0.776 | S | S | * | * | 72.1 | 136.4 | 69.7 | -158.9 | 173.4 | -172.5 | -176.7 | 0 | 113.3 | |||||
| 368 | R | 50.3 | Low | 47.7 | Very low | 204 Ų | 204 | 158.2 Ų | 158.2 | 77% | 0.77 | 78% | 0.777 | S | S | * | * | trans | 110.1 | 133 | 165.1 | -58.5 | -173.1 | -152.1 | 103.4 | -2.5 | 113.5 | ||||
| 369 | D | 51.1 | Low | 48.1 | Very low | 113 Ų | 113 | 157.6 Ų | 157.6 | 60% | 0.604 | 78% | 0.777 | S | S | * | * | cis | -179.6 | 175.4 | -16.4 | -97.8 | -34.2 | 0 | 0 | 0 | 104.4 | ||||
| 370 | I | 56.4 | Low | 48.8 | Very low | 159 Ų | 159 | 156.7 Ų | 156.7 | 82% | 0.815 | 78% | 0.775 | S | S | * | * | trans | 92.4 | 89.8 | 170.9 | -47.2 | 156.7 | 0 | 0 | 0 | 111.7 | ||||
| 371 | I | 57 | Low | 49.6 | Very low | 134 Ų | 134 | 159 Ų | 159 | 69% | 0.687 | 78% | 0.777 | S | S | * | * | cis | 61.9 | 121.6 | 47.8 | -24.6 | -177 | 0 | 0 | 0 | 115.8 | ||||
| 372 | I | 55 | Low | 50.4 | Low | 128 Ų | 128 | 155.4 Ų | 155.4 | 66% | 0.656 | 77% | 0.767 | S | S | * | * | trans | 124.1 | 118.7 | 131.6 | -61.1 | -170 | 0 | 0 | 0 | 116.6 | ||||
| 373 | N | 55.3 | Low | 51.1 | Low | 157 Ų | 157 | 160.4 Ų | 160.4 | 84% | 0.84 | 78% | 0.783 | S | S | * | * | trans | 67.9 | 127.9 | 153.7 | -60.8 | -9.2 | 0 | 0 | 0 | 117.9 | ||||
| 374 | E | 58.5 | Low | 51.8 | Low | 265 Ų | 265 | 157.1 Ų | 157.1 | 100% | 1.238 | 78% | 0.777 | S | S | * | * | cis | -141.1 | 0 | 41.7 | -168.6 | 178 | 160.8 | 0 | 0 | 112.8 |
Retrieved 374 of 374 residues in 454.3 ms
(Link to these results)