| 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 | 42.5 | Very low | 72.5 | Confident | 222 Ų | 222 | 110.5 Ų | 110.5 | 100% | 1.094 | 56% | 0.559 | S | S | * | * | 0 | 123.7 | 0 | -73.5 | 178.4 | 72.2 | 0 | 0 | 107.9 | L3 | M1-L3 PolarHBondContact O-N 3.39Å; M1-L3 VanDerWaalsContact O-N 3.15Å | |||
| 2 | P | 53.4 | Low | 73.9 | Confident | 130 Ų | 130 | 109.6 Ų | 109.6 | 84% | 0.844 | 55% | 0.551 | S | S | * | * | trans | -67.7 | 111.8 | 170 | 27.5 | -29.7 | 0 | 0 | 0 | 108 | V4 | P2-V4 PolarHBondContact O-N 3.45Š| ||
| 3 | L | 59 | Low | 75 | Confident | 126 Ų | 126 | 103.3 Ų | 103.3 | 66% | 0.66 | 52% | 0.521 | S | S | * | . | trans | -68.8 | 118.3 | 169.5 | -72.4 | 162.8 | 0 | 0 | 0 | 106.5 | M1 T5 | M1-L3 PolarHBondContact O-N 3.39Å; M1-L3 VanDerWaalsContact O-N 3.15Å; L3-T5 PolarHBondContact O-N 3.36Å | ||
| 4 | V | 64.9 | Low | 75.8 | Confident | 99 Ų | 99 | 101.2 Ų | 101.2 | 60% | 0.6 | 52% | 0.521 | S | S | * | . | trans | -67.5 | 104.8 | 172.7 | -173.9 | 0 | 0 | 0 | 0 | 106.4 | P2 N7 | P2-V4 PolarHBondContact O-N 3.45Å; V4-N7 WeakPolarHBondContact CG1-OD1 3.44Å | ||
| 5 | T | 65.2 | Low | 76.4 | Confident | 50 Ų | 50 | 107.7 Ų | 107.7 | 31% | 0.307 | 54% | 0.536 | S | S | . | . | trans | -74.5 | -30.3 | -173.6 | 51.6 | 0 | 0 | 0 | 0 | 111.5 | L3 P120 V121 | L3-T5 PolarHBondContact O-N 3.36Å; T5-P120 WeakPolarHBondContact O-CB 3.36Å; T5-V121 HydrophobicContact CG2-CG2 3.85Å | ||
| 6 | R | 78.9 | Confident | 76.6 | Confident | 64 Ų | 64 | 107.1 Ų | 107.1 | 24% | 0.242 | 53% | 0.532 | C | S | . | . | trans | -135.8 | 110.2 | -169.8 | -63.9 | 178.8 | 175.6 | 90.8 | -4.4 | 110 | Y47 E54 P120 | R6-Y47 HydrophobicContact CB-CD1 3.52Å; R6-Y47 HydrophobicContact CB-CD2 4.42Å; R6-Y47 HydrophobicContact CB-CE1 3.73Å; R6-Y47 HydrophobicContact CB-CG 3.91Å; R6-Y47 HydrophobicContact CG-CD1 3.49Å; R6-Y47 VanDerWaalsContact CG-CD1 3.49Å; R6-Y47 HydrophobicContact CG-CE1 3.87Å; R6-Y47 HydrophobicContact CG-CG 4.22Å; R6-E54 IonicContact NH2-OE1 2.91Å; R6-E54 PolarHBondContact NH2-OE1 3.13Å; R6-E54 IonicContact NH2-OE2 3.28Å; R6-E54 PolarHBondContact NH2-OE2 3.15Å; R6-P120 HydrophobicContact CG-CB 4.2Å; R6-P120 HydrophobicContact CG-CG 4.25Å | ||
| 7 | N | 81.8 | Confident | 76.8 | Confident | 78 Ų | 78 | 109.1 Ų | 109.1 | 42% | 0.417 | 55% | 0.551 | S | S | . | * | trans | -107.6 | 116.4 | -177.8 | -78.7 | -26.5 | 0 | 0 | 0 | 110.4 | V4 E9 Y47 | V4-N7 WeakPolarHBondContact CG1-OD1 3.44Å; N7-E9 PolarHBondContact O-N 3.13Å; N7-Y47 PolarHBondContact N-OH 3.22Å; N7-Y47 WeakPolarHBondContact O-CE2 3.36Å; N7-Y47 VanDerWaalsContact O-CZ 3.31Å; N7-Y47 PolarHBondContact O-OH 2.78Å | ||
| 8 | I | 87.1 | Confident | 77.2 | Confident | 68 Ų | 68 | 105.8 Ų | 105.8 | 35% | 0.349 | 53% | 0.534 | S | S | . | . | trans | -74.5 | 123.2 | 179.5 | -46.4 | 178.2 | 0 | 0 | 0 | 110.3 | Q40 L44 Y47 | I8-Q40 HydrophobicContact CB-CG 4.44Å; I8-Q40 HydrophobicContact CG2-CB 4.43Å; I8-Q40 HydrophobicContact CG2-CG 3.33Å; I8-Q40 WeakPolarHBondContact CG2-O 3.31Å; I8-L44 HydrophobicContact CD1-CD1 3.97Å; I8-L44 HydrophobicContact CG2-CB 4.48Å; I8-Y47 HydrophobicContact CG1-CD2 4.42Å | ||
| 9 | E | 87.9 | Confident | 77.6 | Confident | 133 Ų | 133 | 103.7 Ų | 103.7 | 62% | 0.621 | 53% | 0.529 | S | S | * | . | S | Bend | trans | -114.3 | 140.9 | -179.8 | -64.9 | -169.5 | 166.2 | 0 | 0 | 112 | N7 Q40 S43 | N7-E9 PolarHBondContact O-N 3.13Å; E9-Q40 WeakPolarHBondContact O-CA 3.46Å; E9-S43 PolarHBondContact N-OG 3.28Å; E9-S43 VanDerWaalsContact N-OG 3.12Å; E9-S43 WeakPolarHBondContact O-CB 3.32Å |
| 10 | P | 90.2 | Very high | 77.8 | Confident | 32 Ų | 32 | 104.9 Ų | 104.9 | 21% | 0.208 | 55% | 0.547 | C | S | . | . | cis | -78.4 | 139.7 | -1.5 | 30.3 | -33.5 | 0 | 0 | 0 | 112.9 | N36 | P10-N36 HydrophobicContact CG-CB 3.8Š| ||
| 11 | R | 86.3 | Confident | 78.2 | Confident | 213 Ų | 213 | 106.4 Ų | 106.4 | 80% | 0.804 | 56% | 0.556 | S | S | * | * | S | Bend | trans | -69.1 | -33.9 | 177.8 | -169.4 | 175.4 | -174.4 | 179.1 | 2.4 | 113 | ||
| 12 | H | 89.5 | Confident | 80.3 | Confident | 100 Ų | 100 | 98.3 Ų | 98.3 | 46% | 0.463 | 52% | 0.516 | S | S | . | . | trans | -108.4 | 101.8 | 178.9 | -57.3 | 113.4 | 0 | 0 | 0 | 110 | R15 | H12-R15 HydrophobicContact CB-CB 4.01Å; H12-R15 HydrophobicContact CB-CG 4.19Å | ||
| 13 | V | 88.9 | Confident | 81.8 | Confident | 28 Ų | 28 | 104.3 Ų | 104.3 | 17% | 0.17 | 52% | 0.522 | C | S | . | . | S | Bend | trans | -72.7 | -38 | -174.8 | 174.6 | 0 | 0 | 0 | 0 | 112.3 | S33 N36 I37 | V13-S33 VanDerWaalsContact CG1-O 3.24Å; V13-S33 WeakPolarHBondContact CG1-O 3.43Å; V13-N36 HydrophobicContact CB-CB 4.43Å; V13-N36 HydrophobicContact CG1-CB 3.98Å; V13-N36 PolarHBondContact O-ND2 3.43Å; V13-I37 HydrophobicContact CG1-CD1 4.24Å; V13-I37 HydrophobicContact CG1-CG1 3.61Å |
| 14 | S | 85.9 | Confident | 83.2 | Confident | 74 Ų | 74 | 100.4 Ų | 100.4 | 52% | 0.517 | 51% | 0.505 | S | S | . | . | S | Bend | trans | -118.7 | 1.6 | -169.4 | 52.2 | 0 | 0 | 0 | 0 | 115 | Q16 S33 | S14-Q16 VanDerWaalsContact C-N 3.3Å; S14-Q16 PolarHBondContact O-N 3.04Å; S14-S33 WeakPolarHBondContact CB-OG 3.25Å |
| 15 | R | 84.2 | Confident | 84.3 | Confident | 198 Ų | 198 | 101 Ų | 101 | 75% | 0.747 | 50% | 0.501 | S | S | * | . | trans | -91.4 | 38.8 | -173.7 | -58.2 | -171.9 | 174.3 | -170.6 | -7.1 | 114 | H12 | H12-R15 HydrophobicContact CB-CB 4.01Å; H12-R15 HydrophobicContact CB-CG 4.19Å | ||
| 16 | Q | 79.4 | Confident | 85.5 | Confident | 99 Ų | 99 | 105 Ų | 105 | 46% | 0.463 | 52% | 0.52 | S | S | . | . | P | Polyproline II helix | trans | -96.4 | 143.5 | 177.5 | -67.3 | -173.8 | 6.4 | 0 | 0 | 111 | S14 I18 I32 N36 | S14-Q16 VanDerWaalsContact C-N 3.3Å; S14-Q16 PolarHBondContact O-N 3.04Å; Q16-I18 PolarHBondContact O-N 2.89Å; Q16-I32 HydrophobicContact CB-CG2 4.31Å; Q16-I32 HydrophobicContact CG-CG2 4.32Å; Q16-N36 PolarHBondContact NE2-ND2 3.18Å |
| 17 | T | 81.2 | Confident | 86.1 | Confident | 140 Ų | 140 | 108.5 Ų | 108.5 | 86% | 0.859 | 54% | 0.539 | S | S | * | . | P | Polyproline II helix | trans | -70 | 127.8 | 174.9 | -49.3 | 0 | 0 | 0 | 0 | 109.7 | ||
| 18 | I | 83.5 | Confident | 86.4 | Confident | 50 Ų | 50 | 106.1 Ų | 106.1 | 26% | 0.256 | 53% | 0.529 | S | S | . | . | P | Polyproline II helix | trans | -85.8 | 133.7 | 179.2 | -52.5 | 162 | 0 | 0 | 0 | 108.5 | Q16 S20 I22 E25 V29 | Q16-I18 PolarHBondContact O-N 2.89Å; I18-S20 PolarHBondContact O-N 3.48Å; I18-I22 HydrophobicContact CG2-CD1 3.66Å; I18-E25 HydrophobicContact CD1-CB 4.29Å; I18-E25 HydrophobicContact CG2-CG 4.41Å; I18-V29 HydrophobicContact CD1-CG2 3.11Å; I18-V29 HydrophobicContact CG1-CG2 3.59Å |
| 19 | P | 84.6 | Confident | 86.6 | Confident | 67 Ų | 67 | 104.9 Ų | 104.9 | 44% | 0.435 | 52% | 0.524 | S | S | . | . | P | Polyproline II helix | trans | -57.7 | 134.5 | 170 | -23.7 | 30.4 | 0 | 0 | 0 | 112.3 | N21 I22 | P19-N21 VanDerWaalsContact CB-OD1 3.27Å; P19-N21 WeakPolarHBondContact CB-OD1 3.3Å; P19-N21 PolarHBondContact O-N 3.49Å; P19-N21 VanDerWaalsContact O-N 3.12Å; P19-I22 HydrophobicContact CB-CD1 3.71Å; P19-I22 HydrophobicContact CB-CG1 4.09Å; P19-I22 VanDerWaalsContact CD-CD1 3.5Å; P19-I22 HydrophobicContact CG-CD1 3.74Å; P19-I22 WeakPolarHBondContact O-CD1 3.34Å; P19-I22 WeakPolarHBondContact O-CG1 3.45Å |
| 20 | S | 81.2 | Confident | 86.8 | Confident | 126 Ų | 126 | 101.8 Ų | 101.8 | 88% | 0.881 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -3 | -176.3 | 47.7 | 0 | 0 | 0 | 0 | 115 | I18 | I18-S20 PolarHBondContact O-N 3.48Š|
| 21 | N | 87.2 | Confident | 87 | Confident | 138 Ų | 138 | 105.6 Ų | 105.6 | 74% | 0.738 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.1 | 9.5 | -178.4 | 66.1 | -17.6 | 0 | 0 | 0 | 113.8 | P19 | P19-N21 VanDerWaalsContact CB-OD1 3.27Å; P19-N21 WeakPolarHBondContact CB-OD1 3.3Å; P19-N21 PolarHBondContact O-N 3.49Å; P19-N21 VanDerWaalsContact O-N 3.12Å |
| 22 | I | 86.8 | Confident | 87.2 | Confident | 51 Ų | 51 | 97.5 Ų | 97.5 | 26% | 0.262 | 51% | 0.505 | S | S | . | . | trans | -96.1 | 132.1 | -172.5 | -56.9 | 168.3 | 0 | 0 | 0 | 110.2 | I18 P19 C28 | I18-I22 HydrophobicContact CG2-CD1 3.66Å; P19-I22 HydrophobicContact CB-CD1 3.71Å; P19-I22 HydrophobicContact CB-CG1 4.09Å; P19-I22 VanDerWaalsContact CD-CD1 3.5Å; P19-I22 HydrophobicContact CG-CD1 3.74Å; P19-I22 WeakPolarHBondContact O-CD1 3.34Å; P19-I22 WeakPolarHBondContact O-CG1 3.45Å; I22-C28 HydrophobicContact CD1-CB 4.28Å; I22-C28 HydrophobicContact CG2-CB 4.22Å | ||
| 23 | R | 83.5 | Confident | 87.4 | Confident | 257 Ų | 257 | 93.7 Ų | 93.7 | 97% | 0.97 | 49% | 0.49 | S | S | * | . | S | Bend | trans | -74 | -35.9 | 178.6 | -66.1 | -176.4 | -178.9 | 171.1 | 0.1 | 113.1 | ||
| 24 | S | 88.3 | Confident | 87.8 | Confident | 43 Ų | 43 | 96.8 Ų | 96.8 | 30% | 0.301 | 51% | 0.505 | S | S | . | . | trans | -118.8 | 82.6 | -176.6 | -170.8 | 0 | 0 | 0 | 0 | 110.3 | L26 E27 C28 | S24-L26 VanDerWaalsContact C-N 3.32Å; S24-L26 PolarHBondContact O-N 3.48Å; S24-E27 WeakPolarHBondContact CB-OE2 3.48Å; S24-E27 WeakPolarHBondContact OG-CB 3.3Å; S24-E27 WeakPolarHBondContact OG-CG 3.41Å; S24-E27 PolarHBondContact OG-OE2 3.42Å; S24-C28 PolarHBondContact O-N 3.27Å | ||
| 25 | E | 89.9 | Confident | 88.2 | Confident | 111 Ų | 111 | 95.3 Ų | 95.3 | 52% | 0.519 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.8 | -39 | -178.2 | -65.8 | -177.2 | -177.8 | 0 | 0 | 112 | I18 C28 V29 | I18-E25 HydrophobicContact CD1-CB 4.29Å; I18-E25 HydrophobicContact CG2-CG 4.41Å; E25-C28 WeakPolarHBondContact O-CB 3.43Å; E25-C28 PolarHBondContact O-N 2.93Å; E25-V29 WeakPolarHBondContact O-CG2 3.39Å; E25-V29 PolarHBondContact O-N 3.34Å |
| 26 | L | 90.1 | Very high | 88.7 | Confident | 134 Ų | 134 | 86.3 Ų | 86.3 | 70% | 0.702 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -64.1 | -47.7 | -179.2 | -176.7 | 61.6 | 0 | 0 | 0 | 111.7 | S24 C28 V29 T30 | S24-L26 VanDerWaalsContact C-N 3.32Å; S24-L26 PolarHBondContact O-N 3.48Å; L26-C28 VanDerWaalsContact C-N 3.27Å; L26-C28 PolarHBondContact O-N 2.85Å; L26-V29 PolarHBondContact O-N 3.21Å; L26-T30 WeakPolarHBondContact O-CB 3.32Å; L26-T30 PolarHBondContact O-N 3.43Å; L26-T30 PolarHBondContact O-OG1 3.22Å |
| 27 | E | 90.4 | Very high | 89.5 | Confident | 138 Ų | 138 | 84.9 Ų | 84.9 | 65% | 0.645 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -62.4 | -37.7 | 177.1 | -70.2 | 173.6 | 161 | 0 | 0 | 111.5 | S24 T30 N31 | S24-E27 WeakPolarHBondContact CB-OE2 3.48Å; S24-E27 WeakPolarHBondContact OG-CB 3.3Å; S24-E27 WeakPolarHBondContact OG-CG 3.41Å; S24-E27 PolarHBondContact OG-OE2 3.42Å; E27-T30 PolarHBondContact O-N 3.27Å; E27-N31 VanDerWaalsContact O-CB 3.3Å; E27-N31 WeakPolarHBondContact O-CB 3.39Å; E27-N31 PolarHBondContact O-N 3.35Å |
| 28 | C | 89.1 | Confident | 90.2 | Very high | 29 Ų | 29 | 83.9 Ų | 83.9 | 20% | 0.196 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -61.4 | -50.5 | 174.9 | -176.7 | 0 | 0 | 0 | 0 | 111.7 | I22 S24 E25 L26 T30 N31 I32 | I22-C28 HydrophobicContact CD1-CB 4.28Å; I22-C28 HydrophobicContact CG2-CB 4.22Å; S24-C28 PolarHBondContact O-N 3.27Å; E25-C28 WeakPolarHBondContact O-CB 3.43Å; E25-C28 PolarHBondContact O-N 2.93Å; L26-C28 VanDerWaalsContact C-N 3.27Å; L26-C28 PolarHBondContact O-N 2.85Å; C28-T30 PolarHBondContact O-N 3.46Å; C28-N31 PolarHBondContact O-N 3.05Å; C28-I32 WeakPolarHBondContact O-CB 3.37Å; C28-I32 VanDerWaalsContact O-CG1 3.29Å; C28-I32 WeakPolarHBondContact O-CG1 3.34Å; C28-I32 PolarHBondContact O-N 3.49Å; C28-I32 VanDerWaalsContact SG-CD1 3.58Å |
| 29 | V | 91.5 | Very high | 90.8 | Very high | 41 Ų | 41 | 89.9 Ų | 89.9 | 25% | 0.248 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -62.2 | -43.6 | 178.3 | 174.2 | 0 | 0 | 0 | 0 | 111.4 | I18 E25 L26 N31 I32 S33 | I18-V29 HydrophobicContact CD1-CG2 3.11Å; I18-V29 HydrophobicContact CG1-CG2 3.59Å; E25-V29 WeakPolarHBondContact O-CG2 3.39Å; E25-V29 PolarHBondContact O-N 3.34Å; L26-V29 PolarHBondContact O-N 3.21Å; V29-N31 VanDerWaalsContact C-N 3.35Å; V29-N31 PolarHBondContact O-N 3.44Å; V29-I32 PolarHBondContact O-N 3.2Å; V29-S33 WeakPolarHBondContact O-CB 3.26Å; V29-S33 PolarHBondContact O-N 3.18Å; V29-S33 PolarHBondContact O-OG 3.1Å |
| 30 | T | 92.1 | Very high | 91.3 | Very high | 68 Ų | 68 | 89.7 Ų | 89.7 | 42% | 0.417 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -61.5 | -45.1 | 178.3 | -61.7 | 0 | 0 | 0 | 0 | 110.5 | L26 E27 C28 S33 L34 | L26-T30 WeakPolarHBondContact O-CB 3.32Å; L26-T30 PolarHBondContact O-N 3.43Å; L26-T30 PolarHBondContact O-OG1 3.22Å; E27-T30 PolarHBondContact O-N 3.27Å; C28-T30 PolarHBondContact O-N 3.46Å; T30-S33 PolarHBondContact O-N 3.3Å; T30-L34 HydrophobicContact CG2-CD1 4.11Å; T30-L34 HydrophobicContact CG2-CG 4.5Å; T30-L34 WeakPolarHBondContact O-CB 3.41Å; T30-L34 VanDerWaalsContact O-CG 3.3Å; T30-L34 WeakPolarHBondContact O-CG 3.43Å; T30-L34 PolarHBondContact O-N 3.44Å |
| 31 | N | 92.8 | Very high | 92 | Very high | 113 Ų | 113 | 88.3 Ų | 88.3 | 60% | 0.604 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -66.3 | -44.1 | 178.9 | -167.7 | 20.5 | 0 | 0 | 0 | 112.3 | E27 C28 V29 S33 L34 A35 | E27-N31 VanDerWaalsContact O-CB 3.3Å; E27-N31 WeakPolarHBondContact O-CB 3.39Å; E27-N31 PolarHBondContact O-N 3.35Å; C28-N31 PolarHBondContact O-N 3.05Å; V29-N31 VanDerWaalsContact C-N 3.35Å; V29-N31 PolarHBondContact O-N 3.44Å; N31-S33 VanDerWaalsContact C-N 3.31Å; N31-S33 PolarHBondContact O-N 3.16Å; N31-L34 PolarHBondContact O-N 3.3Å; N31-A35 WeakPolarHBondContact O-CB 3.35Å; N31-A35 PolarHBondContact O-N 3.41Å |
| 32 | I | 91.7 | Very high | 92.4 | Very high | 43 Ų | 43 | 83.7 Ų | 83.7 | 22% | 0.221 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -59.9 | -43.7 | 174.2 | -71.3 | 169.7 | 0 | 0 | 0 | 110.8 | Q16 C28 V29 A35 N36 | Q16-I32 HydrophobicContact CB-CG2 4.31Å; Q16-I32 HydrophobicContact CG-CG2 4.32Å; C28-I32 WeakPolarHBondContact O-CB 3.37Å; C28-I32 VanDerWaalsContact O-CG1 3.29Å; C28-I32 WeakPolarHBondContact O-CG1 3.34Å; C28-I32 PolarHBondContact O-N 3.49Å; C28-I32 VanDerWaalsContact SG-CD1 3.58Å; V29-I32 PolarHBondContact O-N 3.2Å; I32-A35 PolarHBondContact O-N 3.22Å; I32-N36 WeakPolarHBondContact O-CB 3.4Å; I32-N36 VanDerWaalsContact O-CG 3.28Å; I32-N36 PolarHBondContact O-N 3.04Å; I32-N36 PolarHBondContact O-ND2 3.07Å |
| 33 | S | 94.1 | Very high | 92.7 | Very high | 20 Ų | 20 | 82.3 Ų | 82.3 | 14% | 0.14 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -63.7 | -45.7 | 178.9 | -60 | 0 | 0 | 0 | 0 | 111 | V13 S14 V29 T30 N31 N36 I37 | V13-S33 VanDerWaalsContact CG1-O 3.24Å; V13-S33 WeakPolarHBondContact CG1-O 3.43Å; S14-S33 WeakPolarHBondContact CB-OG 3.25Å; V29-S33 WeakPolarHBondContact O-CB 3.26Å; V29-S33 PolarHBondContact O-N 3.18Å; V29-S33 PolarHBondContact O-OG 3.1Å; T30-S33 PolarHBondContact O-N 3.3Å; N31-S33 VanDerWaalsContact C-N 3.31Å; N31-S33 PolarHBondContact O-N 3.16Å; S33-N36 PolarHBondContact O-N 3.35Å; S33-I37 WeakPolarHBondContact O-CG1 3.49Å; S33-I37 PolarHBondContact O-N 3.27Å |
| 34 | L | 95.5 | Very high | 93.2 | Very high | 93 Ų | 93 | 74 Ų | 74 | 49% | 0.487 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -61.8 | -44.3 | 175.5 | -72.1 | 172.2 | 0 | 0 | 0 | 111.8 | T30 N31 N36 I37 I38 | T30-L34 HydrophobicContact CG2-CD1 4.11Å; T30-L34 HydrophobicContact CG2-CG 4.5Å; T30-L34 WeakPolarHBondContact O-CB 3.41Å; T30-L34 VanDerWaalsContact O-CG 3.3Å; T30-L34 WeakPolarHBondContact O-CG 3.43Å; T30-L34 PolarHBondContact O-N 3.44Å; N31-L34 PolarHBondContact O-N 3.3Å; L34-N36 VanDerWaalsContact C-N 3.3Å; L34-N36 PolarHBondContact O-N 3.17Å; L34-I37 HydrophobicContact CD2-CD1 4.47Å; L34-I37 PolarHBondContact O-N 2.95Å; L34-I38 WeakPolarHBondContact O-CG1 3.27Å; L34-I38 PolarHBondContact O-N 3.12Å |
| 35 | A | 94.8 | Very high | 93.6 | Very high | 43 Ų | 43 | 75.6 Ų | 75.6 | 36% | 0.355 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -59.5 | -41.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | N31 I32 I38 R39 | N31-A35 WeakPolarHBondContact O-CB 3.35Å; N31-A35 PolarHBondContact O-N 3.41Å; I32-A35 PolarHBondContact O-N 3.22Å; A35-I38 PolarHBondContact O-N 3.46Å; A35-R39 WeakPolarHBondContact O-CG 3.43Å; A35-R39 PolarHBondContact O-N 3.45Å |
| 36 | N | 95.1 | Very high | 93.7 | Very high | 8 Ų | 8 | 75.1 Ų | 75.1 | 4% | 0.043 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -68.8 | -34.8 | 176.6 | -74.2 | -27.1 | 0 | 0 | 0 | 112.8 | P10 V13 Q16 I32 S33 L34 I38 R39 Q40 | P10-N36 HydrophobicContact CG-CB 3.8Å; V13-N36 HydrophobicContact CB-CB 4.43Å; V13-N36 HydrophobicContact CG1-CB 3.98Å; V13-N36 PolarHBondContact O-ND2 3.43Å; Q16-N36 PolarHBondContact NE2-ND2 3.18Å; I32-N36 WeakPolarHBondContact O-CB 3.4Å; I32-N36 VanDerWaalsContact O-CG 3.28Å; I32-N36 PolarHBondContact O-N 3.04Å; I32-N36 PolarHBondContact O-ND2 3.07Å; S33-N36 PolarHBondContact O-N 3.35Å; L34-N36 VanDerWaalsContact C-N 3.3Å; L34-N36 PolarHBondContact O-N 3.17Å; N36-I38 VanDerWaalsContact C-N 3.34Å; N36-R39 PolarHBondContact O-N 2.86Å; N36-Q40 WeakPolarHBondContact O-CB 3.41Å; N36-Q40 PolarHBondContact O-N 3.11Å |
| 37 | I | 96.1 | Very high | 93.7 | Very high | 70 Ų | 70 | 70.7 Ų | 70.7 | 36% | 0.359 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -61.4 | -44.8 | 170.8 | -69.2 | 166.5 | 0 | 0 | 0 | 110 | V13 S33 L34 R39 Q40 L41 | V13-I37 HydrophobicContact CG1-CD1 4.24Å; V13-I37 HydrophobicContact CG1-CG1 3.61Å; S33-I37 WeakPolarHBondContact O-CG1 3.49Å; S33-I37 PolarHBondContact O-N 3.27Å; L34-I37 HydrophobicContact CD2-CD1 4.47Å; L34-I37 PolarHBondContact O-N 2.95Å; I37-R39 VanDerWaalsContact C-N 3.32Å; I37-R39 PolarHBondContact O-N 3.49Å; I37-Q40 WeakPolarHBondContact O-CB 3.41Å; I37-Q40 PolarHBondContact O-N 3.42Å; I37-Q40 VanDerWaalsContact O-N 3.13Å; I37-L41 HydrophobicContact CG2-CD1 4.25Å; I37-L41 HydrophobicContact CG2-CG 4.47Å; I37-L41 WeakPolarHBondContact O-CG 3.41Å; I37-L41 PolarHBondContact O-N 3.28Å |
| 38 | I | 96.1 | Very high | 93.8 | Very high | 119 Ų | 119 | 66 Ų | 66 | 61% | 0.61 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -61.2 | -42.9 | 177.5 | -65.5 | 165.4 | 0 | 0 | 0 | 110.6 | L34 A35 N36 Q40 L41 G42 | L34-I38 WeakPolarHBondContact O-CG1 3.27Å; L34-I38 PolarHBondContact O-N 3.12Å; A35-I38 PolarHBondContact O-N 3.46Å; N36-I38 VanDerWaalsContact C-N 3.34Å; I38-Q40 VanDerWaalsContact C-N 3.31Å; I38-Q40 PolarHBondContact O-N 2.8Å; I38-L41 PolarHBondContact O-N 3.3Å; I38-G42 PolarHBondContact O-N 3.05Å |
| 39 | R | 95.1 | Very high | 94 | Very high | 176 Ų | 176 | 71.3 Ų | 71.3 | 66% | 0.664 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -61.8 | -40.6 | 174.3 | -66.9 | 172.9 | 87.4 | 141.6 | 7 | 111.8 | A35 N36 I37 G42 S43 | A35-R39 WeakPolarHBondContact O-CG 3.43Å; A35-R39 PolarHBondContact O-N 3.45Å; N36-R39 PolarHBondContact O-N 2.86Å; I37-R39 VanDerWaalsContact C-N 3.32Å; I37-R39 PolarHBondContact O-N 3.49Å; R39-G42 PolarHBondContact O-N 2.65Å; R39-S43 PolarHBondContact O-N 2.99Å |
| 40 | Q | 95.3 | Very high | 94 | Very high | 62 Ų | 62 | 71.3 Ų | 71.3 | 29% | 0.29 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -62.9 | -42.1 | 177.2 | -163.8 | 178.8 | 43.1 | 0 | 0 | 111.8 | I8 E9 N36 I37 I38 G42 S43 L44 | I8-Q40 HydrophobicContact CB-CG 4.44Å; I8-Q40 HydrophobicContact CG2-CB 4.43Å; I8-Q40 HydrophobicContact CG2-CG 3.33Å; I8-Q40 WeakPolarHBondContact CG2-O 3.31Å; E9-Q40 WeakPolarHBondContact O-CA 3.46Å; N36-Q40 WeakPolarHBondContact O-CB 3.41Å; N36-Q40 PolarHBondContact O-N 3.11Å; I37-Q40 WeakPolarHBondContact O-CB 3.41Å; I37-Q40 PolarHBondContact O-N 3.42Å; I37-Q40 VanDerWaalsContact O-N 3.13Å; I38-Q40 VanDerWaalsContact C-N 3.31Å; I38-Q40 PolarHBondContact O-N 2.8Å; Q40-G42 VanDerWaalsContact C-N 3.33Å; Q40-S43 PolarHBondContact O-N 3.42Å; Q40-L44 WeakPolarHBondContact O-CB 3.49Å; Q40-L44 PolarHBondContact O-N 3.31Å |
| 41 | L | 96.2 | Very high | 94 | Very high | 97 Ų | 97 | 70.6 Ų | 70.6 | 51% | 0.508 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -64.8 | -36.1 | 173.4 | -69.3 | 173.7 | 0 | 0 | 0 | 112.1 | I37 I38 L44 S45 | I37-L41 HydrophobicContact CG2-CD1 4.25Å; I37-L41 HydrophobicContact CG2-CG 4.47Å; I37-L41 WeakPolarHBondContact O-CG 3.41Å; I37-L41 PolarHBondContact O-N 3.28Å; I38-L41 PolarHBondContact O-N 3.3Å; L41-L44 HydrophobicContact CD2-CD2 4.47Å; L41-L44 PolarHBondContact O-N 3.04Å; L41-S45 WeakPolarHBondContact O-CB 3.41Å; L41-S45 PolarHBondContact O-N 3.13Å; L41-S45 PolarHBondContact O-OG 3Å |
| 42 | G | 96 | Very high | 94.2 | Very high | 42 Ų | 42 | 72.1 Ų | 72.1 | 43% | 0.433 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -62.9 | -46.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | I38 R39 Q40 L44 S45 K46 | I38-G42 PolarHBondContact O-N 3.05Å; R39-G42 PolarHBondContact O-N 2.65Å; Q40-G42 VanDerWaalsContact C-N 3.33Å; G42-L44 PolarHBondContact O-N 3.33Å; G42-S45 WeakPolarHBondContact O-CB 3.37Å; G42-S45 PolarHBondContact O-N 3.2Å; G42-K46 PolarHBondContact O-N 3.5Å |
| 43 | S | 93.4 | Very high | 94.3 | Very high | 21 Ų | 21 | 71.6 Ų | 71.6 | 15% | 0.147 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -59.7 | -44.6 | 174.3 | 176.4 | 0 | 0 | 0 | 0 | 111.7 | E9 R39 Q40 S45 K46 Y47 | E9-S43 PolarHBondContact N-OG 3.28Å; E9-S43 VanDerWaalsContact N-OG 3.12Å; E9-S43 WeakPolarHBondContact O-CB 3.32Å; R39-S43 PolarHBondContact O-N 2.99Å; Q40-S43 PolarHBondContact O-N 3.42Å; S43-S45 VanDerWaalsContact C-N 3.33Å; S43-S45 PolarHBondContact O-N 2.92Å; S43-K46 WeakPolarHBondContact O-CB 3.19Å; S43-K46 PolarHBondContact O-N 3.48Å; S43-Y47 WeakPolarHBondContact O-CD2 3.28Å; S43-Y47 PolarHBondContact O-N 3.17Å; S43-Y47 VanDerWaalsContact O-N 3.12Å; S43-Y47 VanDerWaalsContact OG-CE2 3.26Å; S43-Y47 WeakPolarHBondContact OG-CE2 3.49Å |
| 44 | L | 94.3 | Very high | 94.3 | Very high | 83 Ų | 83 | 74.5 Ų | 74.5 | 44% | 0.435 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -59.7 | -41.5 | 174.6 | 177.8 | 62.3 | 0 | 0 | 0 | 112.3 | I8 Q40 L41 G42 Y47 A48 | I8-L44 HydrophobicContact CD1-CD1 3.97Å; I8-L44 HydrophobicContact CG2-CB 4.48Å; Q40-L44 WeakPolarHBondContact O-CB 3.49Å; Q40-L44 PolarHBondContact O-N 3.31Å; L41-L44 HydrophobicContact CD2-CD2 4.47Å; L41-L44 PolarHBondContact O-N 3.04Å; G42-L44 PolarHBondContact O-N 3.33Å; L44-Y47 PolarHBondContact O-N 3.31Å; L44-A48 PolarHBondContact O-N 3.33Å |
| 45 | S | 95.8 | Very high | 94.3 | Very high | 77 Ų | 77 | 74.5 Ų | 74.5 | 54% | 0.538 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -64 | -42.3 | 178.8 | -57.9 | 0 | 0 | 0 | 0 | 111.7 | L41 G42 S43 Y47 A48 E49 | L41-S45 WeakPolarHBondContact O-CB 3.41Å; L41-S45 PolarHBondContact O-N 3.13Å; L41-S45 PolarHBondContact O-OG 3Å; G42-S45 WeakPolarHBondContact O-CB 3.37Å; G42-S45 PolarHBondContact O-N 3.2Å; S43-S45 VanDerWaalsContact C-N 3.33Å; S43-S45 PolarHBondContact O-N 2.92Å; S45-Y47 VanDerWaalsContact C-N 3.32Å; S45-Y47 PolarHBondContact O-N 3.01Å; S45-A48 PolarHBondContact O-N 2.89Å; S45-E49 PolarHBondContact O-N 3.4Å |
| 46 | K | 91.6 | Very high | 94.5 | Very high | 101 Ų | 101 | 79.6 Ų | 79.6 | 44% | 0.439 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -56.9 | -45.7 | 172.2 | -177.6 | -172.1 | 171.9 | -171.7 | 0 | 111.1 | G42 S43 A48 E49 D50 D123 | G42-K46 PolarHBondContact O-N 3.5Å; S43-K46 WeakPolarHBondContact O-CB 3.19Å; S43-K46 PolarHBondContact O-N 3.48Å; K46-A48 VanDerWaalsContact C-N 3.35Å; K46-A48 PolarHBondContact O-N 3.37Å; K46-E49 WeakPolarHBondContact O-CB 3.27Å; K46-E49 PolarHBondContact O-N 2.98Å; K46-D50 PolarHBondContact O-N 2.87Å; K46-D123 IonicContact NZ-OD2 3.02Å |
| 47 | Y | 90.5 | Very high | 94.5 | Very high | 41 Ų | 41 | 84.9 Ų | 84.9 | 16% | 0.161 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -67.9 | -33.8 | 179.5 | -70.3 | -53.2 | 0 | 0 | 0 | 113.8 | R6 N7 I8 S43 L44 S45 D50 V51 | R6-Y47 HydrophobicContact CB-CD1 3.52Å; R6-Y47 HydrophobicContact CB-CD2 4.42Å; R6-Y47 HydrophobicContact CB-CE1 3.73Å; R6-Y47 HydrophobicContact CB-CG 3.91Å; R6-Y47 HydrophobicContact CG-CD1 3.49Å; R6-Y47 VanDerWaalsContact CG-CD1 3.49Å; R6-Y47 HydrophobicContact CG-CE1 3.87Å; R6-Y47 HydrophobicContact CG-CG 4.22Å; N7-Y47 PolarHBondContact N-OH 3.22Å; N7-Y47 WeakPolarHBondContact O-CE2 3.36Å; N7-Y47 VanDerWaalsContact O-CZ 3.31Å; N7-Y47 PolarHBondContact O-OH 2.78Å; I8-Y47 HydrophobicContact CG1-CD2 4.42Å; S43-Y47 WeakPolarHBondContact O-CD2 3.28Å; S43-Y47 PolarHBondContact O-N 3.17Å; S43-Y47 VanDerWaalsContact O-N 3.12Å; S43-Y47 VanDerWaalsContact OG-CE2 3.26Å; S43-Y47 WeakPolarHBondContact OG-CE2 3.49Å; L44-Y47 PolarHBondContact O-N 3.31Å; S45-Y47 VanDerWaalsContact C-N 3.32Å; S45-Y47 PolarHBondContact O-N 3.01Å; Y47-D50 PolarHBondContact O-N 3.41Å; Y47-V51 WeakPolarHBondContact O-CG2 3.27Å; Y47-V51 PolarHBondContact O-N 2.9Å; Y47-V51 VanDerWaalsContact O-N 3.1Å |
| 48 | A | 93.6 | Very high | 94.6 | Very high | 38 Ų | 38 | 88 Ų | 88 | 31% | 0.314 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -63.6 | -44.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | L44 S45 K46 D50 V51 F52 | L44-A48 PolarHBondContact O-N 3.33Å; S45-A48 PolarHBondContact O-N 2.89Å; K46-A48 VanDerWaalsContact C-N 3.35Å; K46-A48 PolarHBondContact O-N 3.37Å; A48-D50 PolarHBondContact O-N 3.09Å; A48-V51 PolarHBondContact O-N 3.41Å; A48-F52 HydrophobicContact CB-CD2 4.39Å; A48-F52 HydrophobicContact CB-CE2 4.31Å; A48-F52 WeakPolarHBondContact O-CD2 3.22Å; A48-F52 PolarHBondContact O-N 3.17Å |
| 49 | E | 93.5 | Very high | 94.7 | Very high | 142 Ų | 142 | 84.9 Ų | 84.9 | 66% | 0.664 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -56.6 | -47.5 | 173.9 | -176.2 | -176.6 | 174.4 | 0 | 0 | 111.6 | S45 K46 V51 F52 G53 | S45-E49 PolarHBondContact O-N 3.4Å; K46-E49 WeakPolarHBondContact O-CB 3.27Å; K46-E49 PolarHBondContact O-N 2.98Å; E49-V51 PolarHBondContact O-N 2.82Å; E49-F52 PolarHBondContact O-N 2.9Å; E49-G53 WeakPolarHBondContact O-CA 3.45Å; E49-G53 PolarHBondContact O-N 3.25Å |
| 50 | D | 90.8 | Very high | 94.8 | Very high | 40 Ų | 40 | 78 Ų | 78 | 21% | 0.214 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -58.7 | -45.3 | 178.2 | -67.6 | -21.9 | 0 | 0 | 0 | 112 | K46 Y47 A48 G53 E54 | K46-D50 PolarHBondContact O-N 2.87Å; Y47-D50 PolarHBondContact O-N 3.41Å; A48-D50 PolarHBondContact O-N 3.09Å; D50-G53 PolarHBondContact O-N 3.35Å; D50-E54 WeakPolarHBondContact O-CG 3.36Å; D50-E54 PolarHBondContact O-N 3.09Å |
| 51 | V | 92.3 | Very high | 95 | Very high | 54 Ų | 54 | 77.7 Ų | 77.7 | 33% | 0.327 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -65.4 | -48.8 | -179.9 | 171 | 0 | 0 | 0 | 0 | 111.1 | Y47 A48 E49 G53 E54 L55 | Y47-V51 WeakPolarHBondContact O-CG2 3.27Å; Y47-V51 PolarHBondContact O-N 2.9Å; Y47-V51 VanDerWaalsContact O-N 3.1Å; A48-V51 PolarHBondContact O-N 3.41Å; E49-V51 PolarHBondContact O-N 2.82Å; V51-G53 VanDerWaalsContact C-N 3.3Å; V51-G53 PolarHBondContact O-N 3.06Å; V51-E54 PolarHBondContact O-N 3.34Å; V51-L55 HydrophobicContact CG1-CD1 4.16Å; V51-L55 WeakPolarHBondContact O-CG 3.48Å; V51-L55 PolarHBondContact O-N 3.22Å; V51-L55 VanDerWaalsContact O-N 3.1Å |
| 52 | F | 95.9 | Very high | 95.1 | Very high | 145 Ų | 145 | 79.1 Ų | 79.1 | 64% | 0.636 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -68.2 | -32.4 | 179.4 | -70.2 | -57.5 | 0 | 0 | 0 | 112 | A48 E49 L55 F56 | A48-F52 HydrophobicContact CB-CD2 4.39Å; A48-F52 HydrophobicContact CB-CE2 4.31Å; A48-F52 WeakPolarHBondContact O-CD2 3.22Å; A48-F52 PolarHBondContact O-N 3.17Å; E49-F52 PolarHBondContact O-N 2.9Å; F52-L55 HydrophobicContact CD1-CD1 4.47Å; F52-F56 VanDerWaalsContact O-CB 3.22Å; F52-F56 WeakPolarHBondContact O-CB 3.47Å; F52-F56 PolarHBondContact O-N 3.49Å |
| 53 | G | 94.9 | Very high | 95.2 | Very high | 32 Ų | 32 | 79.2 Ų | 79.2 | 33% | 0.33 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -62.3 | -49.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | E49 D50 V51 L55 F56 I57 | E49-G53 WeakPolarHBondContact O-CA 3.45Å; E49-G53 PolarHBondContact O-N 3.25Å; D50-G53 PolarHBondContact O-N 3.35Å; V51-G53 VanDerWaalsContact C-N 3.3Å; V51-G53 PolarHBondContact O-N 3.06Å; G53-L55 VanDerWaalsContact C-N 3.34Å; G53-L55 PolarHBondContact O-N 3.27Å; G53-F56 PolarHBondContact O-N 3.05Å; G53-I57 WeakPolarHBondContact O-CG1 3.28Å; G53-I57 PolarHBondContact O-N 2.83Å |
| 54 | E | 93.1 | Very high | 95.4 | Very high | 81 Ų | 81 | 82.5 Ų | 82.5 | 38% | 0.379 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -57.7 | -46.1 | 176.2 | -76.4 | 172.4 | -173.2 | 0 | 0 | 111.7 | R6 D50 V51 I57 Q58 | R6-E54 IonicContact NH2-OE1 2.91Å; R6-E54 PolarHBondContact NH2-OE1 3.13Å; R6-E54 IonicContact NH2-OE2 3.28Å; R6-E54 PolarHBondContact NH2-OE2 3.15Å; D50-E54 WeakPolarHBondContact O-CG 3.36Å; D50-E54 PolarHBondContact O-N 3.09Å; V51-E54 PolarHBondContact O-N 3.34Å; E54-I57 PolarHBondContact O-N 3.02Å; E54-Q58 WeakPolarHBondContact O-CG 3.43Å; E54-Q58 PolarHBondContact O-N 3.05Å; E54-Q58 VanDerWaalsContact O-N 3.15Å |
| 55 | L | 96.5 | Very high | 95.6 | Very high | 93 Ų | 93 | 87.1 Ų | 87.1 | 49% | 0.487 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -63.9 | -40.9 | 177.2 | -69.3 | 174.3 | 0 | 0 | 0 | 112.2 | V51 F52 G53 Q58 A59 | V51-L55 HydrophobicContact CG1-CD1 4.16Å; V51-L55 WeakPolarHBondContact O-CG 3.48Å; V51-L55 PolarHBondContact O-N 3.22Å; V51-L55 VanDerWaalsContact O-N 3.1Å; F52-L55 HydrophobicContact CD1-CD1 4.47Å; G53-L55 VanDerWaalsContact C-N 3.34Å; G53-L55 PolarHBondContact O-N 3.27Å; L55-Q58 PolarHBondContact O-N 3.35Å; L55-A59 VanDerWaalsContact O-CB 3.27Å; L55-A59 WeakPolarHBondContact O-CB 3.33Å; L55-A59 PolarHBondContact O-N 3.09Å |
| 56 | F | 97.8 | Very high | 95.8 | Very high | 149 Ų | 149 | 86.6 Ų | 86.6 | 65% | 0.654 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -62.6 | -44.8 | 178.4 | 176 | -96.9 | 0 | 0 | 0 | 111.7 | F52 G53 Q58 A59 G60 | F52-F56 VanDerWaalsContact O-CB 3.22Å; F52-F56 WeakPolarHBondContact O-CB 3.47Å; F52-F56 PolarHBondContact O-N 3.49Å; G53-F56 PolarHBondContact O-N 3.05Å; F56-Q58 PolarHBondContact O-N 3.44Å; F56-A59 PolarHBondContact O-N 2.92Å; F56-G60 PolarHBondContact O-N 3.19Å |
| 57 | I | 96.3 | Very high | 96.1 | Very high | 119 Ų | 119 | 86.8 Ų | 86.8 | 61% | 0.61 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -61.4 | -44.8 | 177.5 | -65 | -62.1 | 0 | 0 | 0 | 110.8 | G53 E54 G60 A61 | G53-I57 WeakPolarHBondContact O-CG1 3.28Å; G53-I57 PolarHBondContact O-N 2.83Å; E54-I57 PolarHBondContact O-N 3.02Å; I57-G60 PolarHBondContact O-N 3.37Å; I57-A61 PolarHBondContact O-N 3.38Å |
| 58 | Q | 97 | Very high | 96.5 | Very high | 135 Ų | 135 | 88.3 Ų | 88.3 | 63% | 0.631 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -64.2 | -44.2 | 177.3 | -70.4 | -177.2 | -4.6 | 0 | 0 | 112.2 | E54 L55 F56 A61 F62 | E54-Q58 WeakPolarHBondContact O-CG 3.43Å; E54-Q58 PolarHBondContact O-N 3.05Å; E54-Q58 VanDerWaalsContact O-N 3.15Å; L55-Q58 PolarHBondContact O-N 3.35Å; F56-Q58 PolarHBondContact O-N 3.44Å; Q58-A61 PolarHBondContact O-N 2.82Å; Q58-F62 WeakPolarHBondContact O-CB 3.43Å; Q58-F62 PolarHBondContact O-N 3Å |
| 59 | A | 98.4 | Very high | 96.7 | Very high | 55 Ų | 55 | 91.1 Ų | 91.1 | 46% | 0.455 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.1 | -39.4 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | L55 F56 F62 A63 | L55-A59 VanDerWaalsContact O-CB 3.27Å; L55-A59 WeakPolarHBondContact O-CB 3.33Å; L55-A59 PolarHBondContact O-N 3.09Å; F56-A59 PolarHBondContact O-N 2.92Å; A59-F62 WeakPolarHBondContact O-CB 3.28Å; A59-F62 PolarHBondContact O-N 3.34Å; A59-A63 WeakPolarHBondContact O-CB 3.45Å; A59-A63 PolarHBondContact O-N 3.39Å |
| 60 | G | 98.4 | Very high | 97 | Very high | 30 Ų | 30 | 85.8 Ų | 85.8 | 31% | 0.309 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -64.6 | -43 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | F56 I57 F62 A63 T64 | F56-G60 PolarHBondContact O-N 3.19Å; I57-G60 PolarHBondContact O-N 3.37Å; G60-F62 VanDerWaalsContact C-N 3.33Å; G60-F62 PolarHBondContact O-N 3.34Å; G60-A63 PolarHBondContact O-N 3.49Å; G60-T64 PolarHBondContact O-N 3.39Å; G60-T64 PolarHBondContact O-OG1 3.29Å |
| 61 | A | 98.3 | Very high | 97.3 | Very high | 56 Ų | 56 | 89.1 Ų | 89.1 | 46% | 0.463 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.5 | -41 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | I57 Q58 R65 | I57-A61 PolarHBondContact O-N 3.38Å; Q58-A61 PolarHBondContact O-N 2.82Å; A61-R65 WeakPolarHBondContact O-CG 3.49Å; A61-R65 PolarHBondContact O-N 2.94Å; A61-R65 VanDerWaalsContact O-N 3.17Å |
| 62 | F | 98.4 | Very high | 97.6 | Very high | 128 Ų | 128 | 93.9 Ų | 93.9 | 56% | 0.561 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63.4 | -47.2 | 174.8 | 177.5 | -108 | 0 | 0 | 0 | 112.2 | Q58 A59 G60 T64 R65 V66 | Q58-F62 WeakPolarHBondContact O-CB 3.43Å; Q58-F62 PolarHBondContact O-N 3Å; A59-F62 WeakPolarHBondContact O-CB 3.28Å; A59-F62 PolarHBondContact O-N 3.34Å; G60-F62 VanDerWaalsContact C-N 3.33Å; G60-F62 PolarHBondContact O-N 3.34Å; F62-T64 VanDerWaalsContact C-N 3.31Å; F62-T64 PolarHBondContact O-N 2.81Å; F62-R65 WeakPolarHBondContact O-CB 3.4Å; F62-R65 PolarHBondContact O-N 3.09Å; F62-R65 VanDerWaalsContact O-N 3.09Å; F62-V66 HydrophobicContact CD1-CG2 4.1Å; F62-V66 HydrophobicContact CD2-CG2 4.19Å; F62-V66 HydrophobicContact CE1-CG2 3.66Å; F62-V66 HydrophobicContact CE2-CG2 3.75Å; F62-V66 HydrophobicContact CG-CG2 4.36Å; F62-V66 HydrophobicContact CZ-CG2 3.46Å; F62-V66 VanDerWaalsContact CZ-CG2 3.46Å; F62-V66 WeakPolarHBondContact O-CG2 3.5Å; F62-V66 PolarHBondContact O-N 3.29Å |
| 63 | A | 98.5 | Very high | 97.8 | Very high | 44 Ų | 44 | 90.7 Ų | 90.7 | 36% | 0.364 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -57.9 | -43.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | A59 G60 R65 V66 N67 | A59-A63 WeakPolarHBondContact O-CB 3.45Å; A59-A63 PolarHBondContact O-N 3.39Å; G60-A63 PolarHBondContact O-N 3.49Å; A63-R65 VanDerWaalsContact C-N 3.33Å; A63-R65 PolarHBondContact O-N 3.02Å; A63-V66 PolarHBondContact O-N 3.33Å; A63-N67 VanDerWaalsContact O-CG 3.27Å; A63-N67 PolarHBondContact O-N 2.85Å; A63-N67 PolarHBondContact O-ND2 3.47Å |
| 64 | T | 98.6 | Very high | 97.9 | Very high | 89 Ų | 89 | 94.2 Ų | 94.2 | 55% | 0.546 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.5 | -42.5 | 176 | -55.8 | 0 | 0 | 0 | 0 | 111.8 | G60 F62 T68 | G60-T64 PolarHBondContact O-N 3.39Å; G60-T64 PolarHBondContact O-OG1 3.29Å; F62-T64 VanDerWaalsContact C-N 3.31Å; F62-T64 PolarHBondContact O-N 2.81Å; T64-T68 WeakPolarHBondContact O-CB 3.35Å; T64-T68 PolarHBondContact O-N 3.38Å; T64-T68 PolarHBondContact O-OG1 3Å |
| 65 | R | 98.4 | Very high | 98.1 | Very high | 181 Ų | 181 | 96.6 Ų | 96.6 | 68% | 0.683 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -65.6 | -41.5 | 176.5 | -72.1 | 169.8 | 59.5 | -164.2 | -1.9 | 112 | A61 F62 A63 T68 L69 | A61-R65 WeakPolarHBondContact O-CG 3.49Å; A61-R65 PolarHBondContact O-N 2.94Å; A61-R65 VanDerWaalsContact O-N 3.17Å; F62-R65 WeakPolarHBondContact O-CB 3.4Å; F62-R65 PolarHBondContact O-N 3.09Å; F62-R65 VanDerWaalsContact O-N 3.09Å; A63-R65 VanDerWaalsContact C-N 3.33Å; A63-R65 PolarHBondContact O-N 3.02Å; R65-T68 PolarHBondContact O-N 3.15Å; R65-L69 VanDerWaalsContact O-CB 3.27Å; R65-L69 WeakPolarHBondContact O-CB 3.07Å; R65-L69 PolarHBondContact O-N 3.36Å |
| 66 | V | 98.7 | Very high | 98.2 | Very high | 66 Ų | 66 | 97.1 Ų | 97.1 | 40% | 0.4 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.9 | -45.5 | 177.4 | 170.7 | 0 | 0 | 0 | 0 | 110.7 | F62 A63 T68 L69 G70 | F62-V66 HydrophobicContact CD1-CG2 4.1Å; F62-V66 HydrophobicContact CD2-CG2 4.19Å; F62-V66 HydrophobicContact CE1-CG2 3.66Å; F62-V66 HydrophobicContact CE2-CG2 3.75Å; F62-V66 HydrophobicContact CG-CG2 4.36Å; F62-V66 HydrophobicContact CZ-CG2 3.46Å; F62-V66 VanDerWaalsContact CZ-CG2 3.46Å; F62-V66 WeakPolarHBondContact O-CG2 3.5Å; F62-V66 PolarHBondContact O-N 3.29Å; A63-V66 PolarHBondContact O-N 3.33Å; V66-T68 PolarHBondContact O-N 3.44Å; V66-L69 PolarHBondContact O-N 2.86Å; V66-G70 PolarHBondContact O-N 3.21Å |
| 67 | N | 98.5 | Very high | 98.2 | Very high | 104 Ų | 104 | 95.7 Ų | 95.7 | 56% | 0.556 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -60.7 | -48.4 | 176.9 | -69.5 | -19.8 | 0 | 0 | 0 | 111.2 | A63 L69 G70 E71 | A63-N67 VanDerWaalsContact O-CG 3.27Å; A63-N67 PolarHBondContact O-N 2.85Å; A63-N67 PolarHBondContact O-ND2 3.47Å; N67-L69 VanDerWaalsContact C-N 3.26Å; N67-L69 PolarHBondContact O-N 3.35Å; N67-G70 PolarHBondContact O-N 2.86Å; N67-E71 PolarHBondContact O-N 3.04Å |
| 68 | T | 98.6 | Very high | 98.3 | Very high | 73 Ų | 73 | 93.6 Ų | 93.6 | 45% | 0.448 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59.5 | -38.9 | 177.2 | -56 | 0 | 0 | 0 | 0 | 111.8 | T64 R65 V66 R72 | T64-T68 WeakPolarHBondContact O-CB 3.35Å; T64-T68 PolarHBondContact O-N 3.38Å; T64-T68 PolarHBondContact O-OG1 3Å; R65-T68 PolarHBondContact O-N 3.15Å; V66-T68 PolarHBondContact O-N 3.44Å; T68-R72 VanDerWaalsContact O-CG 3.25Å; T68-R72 WeakPolarHBondContact O-CG 3.45Å; T68-R72 PolarHBondContact O-N 3.44Å |
| 69 | L | 98.6 | Very high | 98.2 | Very high | 98 Ų | 98 | 94.1 Ų | 94.1 | 51% | 0.513 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -70.2 | -42.8 | 177 | -178.4 | 61.1 | 0 | 0 | 0 | 111.5 | R65 V66 N67 R72 V73 | R65-L69 VanDerWaalsContact O-CB 3.27Å; R65-L69 WeakPolarHBondContact O-CB 3.07Å; R65-L69 PolarHBondContact O-N 3.36Å; V66-L69 PolarHBondContact O-N 2.86Å; N67-L69 VanDerWaalsContact C-N 3.26Å; N67-L69 PolarHBondContact O-N 3.35Å; L69-R72 WeakPolarHBondContact O-CB 3.38Å; L69-R72 PolarHBondContact O-N 3.45Å; L69-R72 VanDerWaalsContact O-N 3.13Å; L69-V73 HydrophobicContact CD1-CG2 4.38Å; L69-V73 HydrophobicContact CG-CG2 4.43Å; L69-V73 WeakPolarHBondContact O-CG2 3.38Å; L69-V73 PolarHBondContact O-N 2.76Å |
| 70 | G | 98.4 | Very high | 98.1 | Very high | 30 Ų | 30 | 95.3 Ų | 95.3 | 31% | 0.309 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -56.1 | -52.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | V66 N67 R72 V73 D74 | V66-G70 PolarHBondContact O-N 3.21Å; N67-G70 PolarHBondContact O-N 2.86Å; G70-R72 PolarHBondContact O-N 3.39Å; G70-V73 WeakPolarHBondContact O-CA 3.5Å; G70-V73 WeakPolarHBondContact O-CB 3.32Å; G70-V73 PolarHBondContact O-N 3.39Å; G70-D74 PolarHBondContact O-N 2.97Å |
| 71 | E | 98.4 | Very high | 98 | Very high | 109 Ų | 109 | 98.5 Ų | 98.5 | 51% | 0.509 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.4 | -34.4 | 177.3 | -63.5 | 179.1 | -171.5 | 0 | 0 | 113 | N67 R75 | N67-E71 PolarHBondContact O-N 3.04Å; E71-R75 WeakPolarHBondContact O-CG 3.4Å; E71-R75 PolarHBondContact O-N 3.47Å; E71-R75 VanDerWaalsContact O-N 3.1Å; E71-R75 IonicContact OE2-NH1 3.27Å; E71-R75 PolarHBondContact OE2-NH1 3.2Å |
| 72 | R | 98.4 | Very high | 97.7 | Very high | 155 Ų | 155 | 102.9 Ų | 102.9 | 59% | 0.585 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -68.3 | -39.1 | 175.8 | -75.6 | 174.7 | 65.4 | -167.7 | -0.8 | 111.4 | T68 L69 G70 L76 | T68-R72 VanDerWaalsContact O-CG 3.25Å; T68-R72 WeakPolarHBondContact O-CG 3.45Å; T68-R72 PolarHBondContact O-N 3.44Å; L69-R72 WeakPolarHBondContact O-CB 3.38Å; L69-R72 PolarHBondContact O-N 3.45Å; L69-R72 VanDerWaalsContact O-N 3.13Å; G70-R72 PolarHBondContact O-N 3.39Å; R72-L76 VanDerWaalsContact O-CB 3.26Å; R72-L76 WeakPolarHBondContact O-CB 3.44Å; R72-L76 PolarHBondContact O-N 3.1Å |
| 73 | V | 98.6 | Very high | 97.4 | Very high | 78 Ų | 78 | 101.7 Ų | 101.7 | 47% | 0.473 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.3 | -45.2 | 175.7 | 170.4 | 0 | 0 | 0 | 0 | 110 | L69 G70 R75 L76 Q77 | L69-V73 HydrophobicContact CD1-CG2 4.38Å; L69-V73 HydrophobicContact CG-CG2 4.43Å; L69-V73 WeakPolarHBondContact O-CG2 3.38Å; L69-V73 PolarHBondContact O-N 2.76Å; G70-V73 WeakPolarHBondContact O-CA 3.5Å; G70-V73 WeakPolarHBondContact O-CB 3.32Å; G70-V73 PolarHBondContact O-N 3.39Å; V73-R75 PolarHBondContact O-N 3.46Å; V73-L76 CarbonylContact O-C 3.6Å; V73-L76 PolarHBondContact O-N 2.82Å; V73-L76 VanDerWaalsContact O-N 3.12Å; V73-Q77 WeakPolarHBondContact O-CB 3.5Å; V73-Q77 PolarHBondContact O-N 3.48Å |
| 74 | D | 98.3 | Very high | 97.1 | Very high | 106 Ų | 106 | 103.1 Ų | 103.1 | 57% | 0.567 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -60.8 | -46.8 | 178.7 | -65.1 | -26.5 | 0 | 0 | 0 | 111.8 | G70 L76 Q77 V78 | G70-D74 PolarHBondContact O-N 2.97Å; D74-L76 VanDerWaalsContact C-N 3.3Å; D74-L76 PolarHBondContact O-N 3.23Å; D74-Q77 WeakPolarHBondContact O-CB 3.5Å; D74-Q77 PolarHBondContact O-N 3.41Å; D74-V78 PolarHBondContact O-N 3.42Å |
| 75 | R | 98 | Very high | 96.4 | Very high | 130 Ų | 130 | 104.3 Ų | 104.3 | 49% | 0.491 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.5 | -36.5 | 175.6 | -70.1 | -171.5 | -60.7 | -95.4 | 3.9 | 112.3 | E71 V73 K79 | E71-R75 WeakPolarHBondContact O-CG 3.4Å; E71-R75 PolarHBondContact O-N 3.47Å; E71-R75 VanDerWaalsContact O-N 3.1Å; E71-R75 IonicContact OE2-NH1 3.27Å; E71-R75 PolarHBondContact OE2-NH1 3.2Å; V73-R75 PolarHBondContact O-N 3.46Å; R75-K79 WeakPolarHBondContact O-CG 3.48Å; R75-K79 PolarHBondContact O-N 2.94Å |
| 76 | L | 98.1 | Very high | 95.8 | Very high | 104 Ų | 104 | 105.1 Ų | 105.1 | 55% | 0.545 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -69.2 | -40.7 | 177.3 | -177.3 | 61.9 | 0 | 0 | 0 | 111.1 | R72 V73 D74 V78 K79 V80 | R72-L76 VanDerWaalsContact O-CB 3.26Å; R72-L76 WeakPolarHBondContact O-CB 3.44Å; R72-L76 PolarHBondContact O-N 3.1Å; V73-L76 CarbonylContact O-C 3.6Å; V73-L76 PolarHBondContact O-N 2.82Å; V73-L76 VanDerWaalsContact O-N 3.12Å; D74-L76 VanDerWaalsContact C-N 3.3Å; D74-L76 PolarHBondContact O-N 3.23Å; L76-V78 VanDerWaalsContact C-N 3.33Å; L76-V78 PolarHBondContact O-N 2.95Å; L76-K79 PolarHBondContact O-N 3.47Å; L76-K79 VanDerWaalsContact O-N 3.11Å; L76-V80 HydrophobicContact CD1-CG2 4.07Å; L76-V80 HydrophobicContact CG-CG2 4.19Å; L76-V80 WeakPolarHBondContact O-CG2 3.23Å; L76-V80 PolarHBondContact O-N 3.07Å |
| 77 | Q | 98 | Very high | 95.1 | Very high | 119 Ų | 119 | 109.4 Ų | 109.4 | 56% | 0.556 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -57.9 | -45.7 | 177.5 | -176.8 | 64 | 18.4 | 0 | 0 | 111.4 | V73 D74 K79 V80 T81 | V73-Q77 WeakPolarHBondContact O-CB 3.5Å; V73-Q77 PolarHBondContact O-N 3.48Å; D74-Q77 WeakPolarHBondContact O-CB 3.5Å; D74-Q77 PolarHBondContact O-N 3.41Å; Q77-K79 PolarHBondContact O-N 2.83Å; Q77-V80 PolarHBondContact O-N 3.05Å; Q77-T81 WeakPolarHBondContact O-CG2 3.45Å; Q77-T81 PolarHBondContact O-N 3.44Å; Q77-T81 PolarHBondContact O-OG1 3.09Å |
| 78 | V | 97.4 | Very high | 94.3 | Very high | 76 Ų | 76 | 110.6 Ų | 110.6 | 46% | 0.461 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -61.4 | -43.8 | 175 | 175.8 | 0 | 0 | 0 | 0 | 111.1 | D74 L76 T81 Q82 | D74-V78 PolarHBondContact O-N 3.42Å; L76-V78 VanDerWaalsContact C-N 3.33Å; L76-V78 PolarHBondContact O-N 2.95Å; V78-T81 WeakPolarHBondContact CA-OG1 3.44Å; V78-T81 PolarHBondContact O-N 3.09Å; V78-T81 PolarHBondContact O-OG1 3.15Å; V78-Q82 VanDerWaalsContact CG1-NE2 3.26Å; V78-Q82 VanDerWaalsContact O-CG 3.3Å; V78-Q82 WeakPolarHBondContact O-CG 3.25Å; V78-Q82 PolarHBondContact O-N 3.16Å |
| 79 | K | 96.1 | Very high | 93.6 | Very high | 145 Ų | 145 | 115.9 Ų | 115.9 | 63% | 0.63 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -64.3 | -44.1 | 178.9 | -73.2 | 179.4 | 179.4 | -170.7 | 0 | 112.6 | R75 L76 Q77 T81 Q82 L83 | R75-K79 WeakPolarHBondContact O-CG 3.48Å; R75-K79 PolarHBondContact O-N 2.94Å; L76-K79 PolarHBondContact O-N 3.47Å; L76-K79 VanDerWaalsContact O-N 3.11Å; Q77-K79 PolarHBondContact O-N 2.83Å; K79-T81 VanDerWaalsContact C-N 3.33Å; K79-T81 PolarHBondContact O-N 3.35Å; K79-Q82 PolarHBondContact O-N 3.41Å; K79-L83 PolarHBondContact O-N 2.89Å |
| 80 | V | 96.3 | Very high | 92.7 | Very high | 81 Ų | 81 | 117.6 Ų | 117.6 | 49% | 0.491 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -65.6 | -38.3 | -179.4 | 171.5 | 0 | 0 | 0 | 0 | 111.2 | L76 Q77 Q82 L83 | L76-V80 HydrophobicContact CD1-CG2 4.07Å; L76-V80 HydrophobicContact CG-CG2 4.19Å; L76-V80 WeakPolarHBondContact O-CG2 3.23Å; L76-V80 PolarHBondContact O-N 3.07Å; Q77-V80 PolarHBondContact O-N 3.05Å; V80-Q82 VanDerWaalsContact C-N 3.28Å; V80-Q82 PolarHBondContact O-N 3.17Å; V80-L83 PolarHBondContact O-N 3.32Å |
| 81 | T | 95.1 | Very high | 92 | Very high | 97 Ų | 97 | 119 Ų | 119 | 60% | 0.595 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -71.5 | -20.9 | 178 | 48.7 | 0 | 0 | 0 | 0 | 113.8 | Q77 V78 K79 | Q77-T81 WeakPolarHBondContact O-CG2 3.45Å; Q77-T81 PolarHBondContact O-N 3.44Å; Q77-T81 PolarHBondContact O-OG1 3.09Å; V78-T81 WeakPolarHBondContact CA-OG1 3.44Å; V78-T81 PolarHBondContact O-N 3.09Å; V78-T81 PolarHBondContact O-OG1 3.15Å; K79-T81 VanDerWaalsContact C-N 3.33Å; K79-T81 PolarHBondContact O-N 3.35Å |
| 82 | Q | 93.3 | Very high | 91.2 | Very high | 148 Ų | 148 | 120 Ų | 120 | 69% | 0.692 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.4 | -3.5 | 175.8 | -70.2 | 176.1 | 11.8 | 0 | 0 | 113.7 | V78 K79 V80 D84 | V78-Q82 VanDerWaalsContact CG1-NE2 3.26Å; V78-Q82 VanDerWaalsContact O-CG 3.3Å; V78-Q82 WeakPolarHBondContact O-CG 3.25Å; V78-Q82 PolarHBondContact O-N 3.16Å; K79-Q82 PolarHBondContact O-N 3.41Å; V80-Q82 VanDerWaalsContact C-N 3.28Å; V80-Q82 PolarHBondContact O-N 3.17Å; Q82-D84 PolarHBondContact O-N 3.36Å |
| 83 | L | 92.3 | Very high | 90.6 | Very high | 102 Ų | 102 | 119.6 Ų | 119.6 | 53% | 0.534 | 61% | 0.61 | S | S | . | * | trans | -70.8 | 121.5 | 178.2 | -68.4 | 172.6 | 0 | 0 | 0 | 110.4 | K79 V80 | K79-L83 PolarHBondContact O-N 2.89Å; V80-L83 PolarHBondContact O-N 3.32Å | ||
| 84 | D | 90.9 | Very high | 89.8 | Confident | 75 Ų | 75 | 117 Ų | 117 | 40% | 0.401 | 60% | 0.597 | S | S | . | * | trans | -98.3 | 111.1 | 169.5 | -172.1 | -11.2 | 0 | 0 | 0 | 110.1 | Q82 K86 E87 E88 | Q82-D84 PolarHBondContact O-N 3.36Å; D84-K86 PolarHBondContact O-N 3.37Å; D84-K86 VanDerWaalsContact O-N 3.13Å; D84-K86 WeakPolarHBondContact OD1-CB 3.47Å; D84-K86 PolarHBondContact OD1-N 3.3Å; D84-E87 HydrophobicContact CB-CB 4.14Å; D84-E87 PolarHBondContact O-N 2.98Å; D84-E87 VanDerWaalsContact O-N 3.13Å; D84-E88 PolarHBondContact O-N 3.29Å; D84-E88 VanDerWaalsContact O-N 3.15Å | ||
| 85 | P | 84.7 | Confident | 89.1 | Confident | 113 Ų | 113 | 118.3 Ų | 118.3 | 73% | 0.734 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.8 | -13.3 | 179.7 | 27.3 | -34.7 | 0 | 0 | 0 | 113.9 | ||
| 86 | K | 85.8 | Confident | 88.6 | Confident | 198 Ų | 198 | 118.3 Ų | 118.3 | 86% | 0.861 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | -22.1 | 175.4 | -64.7 | -178.6 | 179.5 | 177.7 | 0 | 113.1 | D84 | D84-K86 PolarHBondContact O-N 3.37Å; D84-K86 VanDerWaalsContact O-N 3.13Å; D84-K86 WeakPolarHBondContact OD1-CB 3.47Å; D84-K86 PolarHBondContact OD1-N 3.3Å |
| 87 | E | 83.1 | Confident | 88.2 | Confident | 157 Ų | 157 | 118.5 Ų | 118.5 | 73% | 0.734 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.7 | -22.4 | 179.4 | -167.7 | 176.4 | -178.1 | 0 | 0 | 112 | D84 E89 | D84-E87 HydrophobicContact CB-CB 4.14Å; D84-E87 PolarHBondContact O-N 2.98Å; D84-E87 VanDerWaalsContact O-N 3.13Å; E87-E89 PolarHBondContact O-N 3.13Å |
| 88 | E | 81.7 | Confident | 87.8 | Confident | 128 Ų | 128 | 121.4 Ų | 121.4 | 60% | 0.598 | 63% | 0.628 | S | S | * | * | trans | -73.8 | 96.4 | -177.4 | -169.5 | 169.8 | -178 | 0 | 0 | 113 | D84 | D84-E88 PolarHBondContact O-N 3.29Å; D84-E88 VanDerWaalsContact O-N 3.15Å | ||
| 89 | E | 83.4 | Confident | 87.6 | Confident | 185 Ų | 185 | 127.6 Ų | 127.6 | 86% | 0.864 | 65% | 0.649 | S | S | * | * | trans | -79.5 | 127.3 | 173.9 | -66.2 | -172.7 | 172.3 | 0 | 0 | 112.8 | E87 S91 | E87-E89 PolarHBondContact O-N 3.13Å; E89-S91 PolarHBondContact O-N 3.37Å | ||
| 90 | V | 81.2 | Confident | 87.4 | Confident | 133 Ų | 133 | 124.2 Ų | 124.2 | 81% | 0.806 | 65% | 0.648 | S | S | * | * | trans | -79.4 | 103.3 | 176.5 | -177.2 | 0 | 0 | 0 | 0 | 110.5 | L92 | V90-L92 PolarHBondContact O-N 3.17Š| ||
| 91 | S | 82.8 | Confident | 87.3 | Confident | 60 Ų | 60 | 129.1 Ų | 129.1 | 42% | 0.42 | 66% | 0.663 | S | S | . | * | trans | -80.3 | 113.6 | 178.3 | -177.8 | 0 | 0 | 0 | 0 | 112.7 | E89 Q93 A94 | E89-S91 PolarHBondContact O-N 3.37Å; S91-Q93 PolarHBondContact O-N 3.5Å; S91-Q93 PolarHBondContact OG-N 3.39Å; S91-A94 VanDerWaalsContact O-CB 3.3Å; S91-A94 WeakPolarHBondContact O-CB 2.9Å; S91-A94 PolarHBondContact O-N 3.43Å | ||
| 92 | L | 82.1 | Confident | 87.4 | Confident | 130 Ų | 130 | 134.4 Ų | 134.4 | 68% | 0.681 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66 | -24.1 | 172.2 | -64.7 | 177.8 | 0 | 0 | 0 | 112.9 | V90 A94 I95 | V90-L92 PolarHBondContact O-N 3.17Å; L92-A94 PolarHBondContact O-N 2.99Å; L92-I95 HydrophobicContact CD2-CD1 3.84Å; L92-I95 WeakPolarHBondContact O-CB 3.43Å; L92-I95 PolarHBondContact O-N 3.1Å |
| 93 | Q | 85.2 | Confident | 87.5 | Confident | 147 Ų | 147 | 131 Ų | 131 | 69% | 0.687 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -62.5 | -27.5 | 174.5 | -71.4 | -176.6 | -7.3 | 0 | 0 | 111.8 | S91 I95 T96 T97 | S91-Q93 PolarHBondContact O-N 3.5Å; S91-Q93 PolarHBondContact OG-N 3.39Å; Q93-I95 PolarHBondContact O-N 3.49Å; Q93-T96 PolarHBondContact O-N 2.78Å; Q93-T97 WeakPolarHBondContact O-CB 3.4Å; Q93-T97 WeakPolarHBondContact O-CG2 3.01Å; Q93-T97 PolarHBondContact O-N 3.47Å; Q93-T97 PolarHBondContact O-OG1 3.45Å |
| 94 | A | 82.9 | Confident | 87.5 | Confident | 22 Ų | 22 | 130.7 Ų | 130.7 | 18% | 0.182 | 67% | 0.671 | C | S | . | * | H | α-helix | trans | -62.5 | -28.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | S91 L92 T96 R98 | S91-A94 VanDerWaalsContact O-CB 3.3Å; S91-A94 WeakPolarHBondContact O-CB 2.9Å; S91-A94 PolarHBondContact O-N 3.43Å; L92-A94 PolarHBondContact O-N 2.99Å; A94-T96 VanDerWaalsContact C-N 3.31Å; A94-T96 PolarHBondContact O-N 3.25Å; A94-R98 HydrophobicContact CB-CG 4.3Å; A94-R98 VanDerWaalsContact O-CB 3.32Å; A94-R98 WeakPolarHBondContact O-CB 3.44Å; A94-R98 PolarHBondContact O-N 3Å |
| 95 | I | 82.4 | Confident | 87.7 | Confident | 134 Ų | 134 | 133.2 Ų | 133.2 | 69% | 0.687 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -64.5 | -37.8 | -178.9 | -58.8 | 173.1 | 0 | 0 | 0 | 111 | L92 Q93 | L92-I95 HydrophobicContact CD2-CD1 3.84Å; L92-I95 WeakPolarHBondContact O-CB 3.43Å; L92-I95 PolarHBondContact O-N 3.1Å; Q93-I95 PolarHBondContact O-N 3.49Å |
| 96 | T | 88.8 | Confident | 88.1 | Confident | 130 Ų | 130 | 133.6 Ų | 133.6 | 80% | 0.798 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -97.2 | -30.3 | -176.6 | -15.5 | 0 | 0 | 0 | 0 | 112.7 | Q93 A94 | Q93-T96 PolarHBondContact O-N 2.78Å; A94-T96 VanDerWaalsContact C-N 3.31Å; A94-T96 PolarHBondContact O-N 3.25Å |
| 97 | T | 89.6 | Confident | 88.4 | Confident | 108 Ų | 108 | 129 Ų | 129 | 66% | 0.663 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -95.3 | -26.4 | -173.2 | 60.5 | 0 | 0 | 0 | 0 | 114 | Q93 | Q93-T97 WeakPolarHBondContact O-CB 3.4Å; Q93-T97 WeakPolarHBondContact O-CG2 3.01Å; Q93-T97 PolarHBondContact O-N 3.47Å; Q93-T97 PolarHBondContact O-OG1 3.45Å |
| 98 | R | 89.3 | Confident | 88.9 | Confident | 180 Ų | 180 | 128.5 Ų | 128.5 | 68% | 0.679 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -99.8 | 140.5 | 179.7 | -58.7 | -175.2 | -172.4 | 157 | 0.8 | 110.3 | A94 | A94-R98 HydrophobicContact CB-CG 4.3Å; A94-R98 VanDerWaalsContact O-CB 3.32Å; A94-R98 WeakPolarHBondContact O-CB 3.44Å; A94-R98 PolarHBondContact O-N 3Å |
| 99 | K | 93.1 | Very high | 89.4 | Confident | 207 Ų | 207 | 127.4 Ų | 127.4 | 90% | 0.9 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 137.1 | 169.5 | -66.8 | -178.8 | -179.7 | 177.7 | 0 | 108.9 | ||
| 100 | A | 92.1 | Very high | 89.8 | Confident | 73 Ų | 73 | 125.1 Ų | 125.1 | 60% | 0.603 | 65% | 0.652 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 147.5 | 173 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 101 | F | 94.6 | Very high | 90.3 | Very high | 185 Ų | 185 | 124 Ų | 124 | 81% | 0.811 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 140.3 | 172.4 | 172.1 | -100.6 | 0 | 0 | 0 | 110.8 | ||
| 102 | R | 95.4 | Very high | 90.7 | Very high | 207 Ų | 207 | 130.7 Ų | 130.7 | 78% | 0.781 | 66% | 0.663 | S | S | * | * | trans | -129.4 | 130.8 | 173.5 | -63 | -63.3 | -176.6 | -176.4 | 0.3 | 108.8 | ||||
| 103 | S | 95.3 | Very high | 91.2 | Very high | 77 Ų | 77 | 127.1 Ų | 127.1 | 54% | 0.538 | 65% | 0.647 | S | S | . | * | trans | -70.9 | 163.5 | 167.6 | 50.5 | 0 | 0 | 0 | 0 | 110.6 | L105 | S103-L105 WeakPolarHBondContact O-CD1 3.41Š| ||
| 104 | S | 93.6 | Very high | 91.5 | Very high | 95 Ų | 95 | 126.9 Ų | 126.9 | 66% | 0.664 | 64% | 0.64 | S | S | * | * | trans | -67.5 | 131.7 | 168.7 | -171.5 | 0 | 0 | 0 | 0 | 109.8 | T106 | S104-T106 WeakPolarHBondContact OG-CG2 3.43Å; S104-T106 PolarHBondContact OG-OG1 3.26Å; S104-T106 VanDerWaalsContact OG-OG1 3.09Å | ||
| 105 | L | 93.6 | Very high | 91.9 | Very high | 129 Ų | 129 | 131.8 Ų | 131.8 | 68% | 0.675 | 67% | 0.67 | S | S | * | * | trans | -116.7 | 24.5 | 173.2 | -81.3 | 78.6 | 0 | 0 | 0 | 111.2 | S103 Q107 | S103-L105 WeakPolarHBondContact O-CD1 3.41Å; L105-Q107 PolarHBondContact O-N 3.29Å | ||
| 106 | T | 93.8 | Very high | 92.4 | Very high | 120 Ų | 120 | 128.2 Ų | 128.2 | 74% | 0.736 | 66% | 0.657 | S | S | * | * | trans | -59.4 | 129.9 | 175.3 | 49.4 | 0 | 0 | 0 | 0 | 110.2 | S104 | S104-T106 WeakPolarHBondContact OG-CG2 3.43Å; S104-T106 PolarHBondContact OG-OG1 3.26Å; S104-T106 VanDerWaalsContact OG-OG1 3.09Å | ||
| 107 | Q | 93.4 | Very high | 92.4 | Very high | 101 Ų | 101 | 124.4 Ų | 124.4 | 47% | 0.472 | 63% | 0.631 | S | S | . | * | trans | -126 | 128.8 | 177 | -70 | -177 | -5.2 | 0 | 0 | 109.6 | L105 N450 | L105-Q107 PolarHBondContact O-N 3.29Å; Q107-N450 VanDerWaalsContact CD-CG 3.43Å; Q107-N450 VanDerWaalsContact NE2-CG 3.26Å; Q107-N450 PolarHBondContact NE2-ND2 2.71Å; Q107-N450 PolarHBondContact NE2-OD1 3.07Å; Q107-N450 PolarHBondContact OE1-ND2 2.82Å | ||
| 108 | D | 92.3 | Very high | 92.4 | Very high | 147 Ų | 147 | 122 Ų | 122 | 79% | 0.786 | 62% | 0.617 | S | S | * | * | trans | -73.7 | 129.1 | 177.4 | -61.8 | -22.4 | 0 | 0 | 0 | 109.4 | L111 | D108-L111 HydrophobicContact CB-CD2 3.98Š| ||
| 109 | Q | 92.6 | Very high | 92.4 | Very high | 105 Ų | 105 | 117.8 Ų | 117.8 | 49% | 0.491 | 61% | 0.611 | S | S | . | * | trans | -137.2 | 168.4 | -179.8 | -59.6 | -176.1 | 17.3 | 0 | 0 | 108.5 | L111 | Q109-L111 VanDerWaalsContact C-N 3.31Å; Q109-L111 PolarHBondContact O-N 3.46Å | ||
| 110 | Q | 91.6 | Very high | 92.1 | Very high | 137 Ų | 137 | 108.1 Ų | 108.1 | 64% | 0.64 | 57% | 0.57 | S | S | * | * | trans | 56 | 45.3 | 178.9 | -60.9 | -72.5 | -31.5 | 0 | 0 | 112.3 | F112 T113 | Q110-F112 PolarHBondContact O-N 2.93Å; Q110-T113 HydrophobicContact CB-CG2 3.95Å; Q110-T113 VanDerWaalsContact O-CG2 3.28Å; Q110-T113 WeakPolarHBondContact O-CG2 3.39Å | ||
| 111 | L | 91.2 | Very high | 91.9 | Very high | 110 Ų | 110 | 105.7 Ų | 105.7 | 58% | 0.576 | 55% | 0.548 | S | S | * | . | trans | -63.2 | -23.4 | -174.8 | -59.2 | 177.6 | 0 | 0 | 0 | 113.7 | D108 Q109 S116 | D108-L111 HydrophobicContact CB-CD2 3.98Å; Q109-L111 VanDerWaalsContact C-N 3.31Å; Q109-L111 PolarHBondContact O-N 3.46Å; L111-S116 WeakPolarHBondContact O-CB 3.42Å; L111-S116 PolarHBondContact O-OG 2.96Å | ||
| 112 | F | 90.7 | Very high | 91.8 | Very high | 201 Ų | 201 | 100.1 Ų | 100.1 | 88% | 0.882 | 52% | 0.524 | S | S | * | . | S | Bend | trans | -111 | 73.3 | -177.5 | -57.2 | -74.6 | 0 | 0 | 0 | 110.8 | Q110 | Q110-F112 PolarHBondContact O-N 2.93Š|
| 113 | T | 92.8 | Very high | 91.4 | Very high | 55 Ų | 55 | 93.7 Ų | 93.7 | 34% | 0.337 | 51% | 0.505 | S | S | . | . | S | Bend | trans | -114.1 | 166.2 | 175.8 | 53.5 | 0 | 0 | 0 | 0 | 110.1 | Q110 P115 S116 L117 | Q110-T113 HydrophobicContact CB-CG2 3.95Å; Q110-T113 VanDerWaalsContact O-CG2 3.28Å; Q110-T113 WeakPolarHBondContact O-CG2 3.39Å; T113-P115 VanDerWaalsContact C-N 3.34Å; T113-S116 PolarHBondContact N-OG 2.96Å; T113-S116 PolarHBondContact O-N 3.23Å; T113-S116 VanDerWaalsContact O-N 3.16Å; T113-S116 PolarHBondContact O-OG 3.47Å; T113-S116 VanDerWaalsContact O-OG 3.04Å; T113-S116 PolarHBondContact OG1-OG 3.1Å; T113-L117 PolarHBondContact O-N 3.32Å |
| 114 | R | 91.8 | Very high | 91.1 | Very high | 142 Ų | 142 | 93.3 Ų | 93.3 | 54% | 0.536 | 50% | 0.5 | S | S | . | . | G | 310 helix | trans | -56.4 | -41.1 | 177.8 | -67.8 | -61.4 | -170.2 | 149 | 4 | 113.4 | S116 L117 Y125 | R114-S116 VanDerWaalsContact C-N 3.33Å; R114-S116 PolarHBondContact O-N 2.91Å; R114-L117 VanDerWaalsContact O-CB 3.23Å; R114-L117 WeakPolarHBondContact O-CB 3.49Å; R114-L117 PolarHBondContact O-N 3.02Å; R114-Y125 PolarHBondContact NH2-OH 2.97Å |
| 115 | P | 92.5 | Very high | 91 | Very high | 124 Ų | 124 | 94 Ų | 94 | 81% | 0.805 | 49% | 0.488 | S | S | * | . | G | 310 helix | trans | -70 | -24.4 | 177.2 | -21.9 | 35.6 | 0 | 0 | 0 | 114.6 | T113 L117 | T113-P115 VanDerWaalsContact C-N 3.34Å; P115-L117 VanDerWaalsContact C-N 3.25Å |
| 116 | S | 91.5 | Very high | 91 | Very high | 59 Ų | 59 | 92.5 Ų | 92.5 | 41% | 0.413 | 49% | 0.485 | S | S | . | . | G | 310 helix | trans | -85.2 | 2.4 | 176 | 67.5 | 0 | 0 | 0 | 0 | 113.2 | L111 T113 R114 P118 | L111-S116 WeakPolarHBondContact O-CB 3.42Å; L111-S116 PolarHBondContact O-OG 2.96Å; T113-S116 PolarHBondContact N-OG 2.96Å; T113-S116 PolarHBondContact O-N 3.23Å; T113-S116 VanDerWaalsContact O-N 3.16Å; T113-S116 PolarHBondContact O-OG 3.47Å; T113-S116 VanDerWaalsContact O-OG 3.04Å; T113-S116 PolarHBondContact OG1-OG 3.1Å; R114-S116 VanDerWaalsContact C-N 3.33Å; R114-S116 PolarHBondContact O-N 2.91Å; S116-P118 WeakPolarHBondContact O-CD 3.45Å |
| 117 | L | 90 | Very high | 90.8 | Very high | 50 Ų | 50 | 92.5 Ų | 92.5 | 26% | 0.262 | 49% | 0.485 | S | S | . | . | S | Bend | trans | -69.7 | 125 | 179.2 | -165.2 | 69.1 | 0 | 0 | 0 | 110.3 | T113 R114 P115 V121 Q122 | T113-L117 PolarHBondContact O-N 3.32Å; R114-L117 VanDerWaalsContact O-CB 3.23Å; R114-L117 WeakPolarHBondContact O-CB 3.49Å; R114-L117 PolarHBondContact O-N 3.02Å; P115-L117 VanDerWaalsContact C-N 3.25Å; L117-V121 HydrophobicContact CD1-CB 4.1Å; L117-V121 HydrophobicContact CD1-CG1 3.65Å; L117-V121 HydrophobicContact CD2-CG1 4.29Å; L117-V121 HydrophobicContact CG-CB 4.13Å; L117-V121 HydrophobicContact CG-CG1 4.07Å; L117-Q122 HydrophobicContact CD2-CB 4.08Å |
| 118 | P | 89.1 | Confident | 90.8 | Very high | 57 Ų | 57 | 91.1 Ų | 91.1 | 37% | 0.37 | 49% | 0.486 | S | S | . | . | trans | -61.1 | 141.6 | 176.9 | -23.4 | 33.9 | 0 | 0 | 0 | 111.7 | S116 P120 V121 Q122 | S116-P118 WeakPolarHBondContact O-CD 3.45Å; P118-P120 VanDerWaalsContact C-CD 3.46Å; P118-P120 VanDerWaalsContact C-N 3.32Å; P118-V121 HydrophobicContact CB-CG2 4.27Å; P118-V121 HydrophobicContact CG-CG2 4.4Å; P118-V121 WeakPolarHBondContact O-CA 3.4Å; P118-V121 WeakPolarHBondContact O-CB 3.5Å; P118-V121 PolarHBondContact O-N 2.86Å; P118-Q122 PolarHBondContact O-N 3.27Å | ||
| 119 | V | 88.6 | Confident | 91 | Very high | 92 Ų | 92 | 91.8 Ų | 91.8 | 56% | 0.558 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -49.9 | -45.8 | -179.2 | 176.9 | 0 | 0 | 0 | 0 | 112.6 | V121 Q122 D123 | V119-V121 VanDerWaalsContact C-N 3.26Å; V119-V121 PolarHBondContact O-N 3.45Å; V119-Q122 WeakPolarHBondContact O-CA 3.34Å; V119-Q122 WeakPolarHBondContact O-CB 3.19Å; V119-Q122 PolarHBondContact O-N 3.43Å; V119-D123 PolarHBondContact O-N 2.82Å |
| 120 | P | 87.3 | Confident | 91.1 | Very high | 5 Ų | 5 | 92 Ų | 92 | 3% | 0.032 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -62.8 | -31.6 | 179.4 | -25.1 | 36.9 | 0 | 0 | 0 | 114.1 | T5 R6 P118 T124 | T5-P120 WeakPolarHBondContact O-CB 3.36Å; R6-P120 HydrophobicContact CG-CB 4.2Å; R6-P120 HydrophobicContact CG-CG 4.25Å; P118-P120 VanDerWaalsContact C-CD 3.46Å; P118-P120 VanDerWaalsContact C-N 3.32Å; P120-T124 PolarHBondContact O-N 2.68Å; P120-T124 PolarHBondContact O-OG1 3.41Å |
| 121 | V | 89 | Confident | 91.3 | Very high | 22 Ų | 22 | 88 Ų | 88 | 13% | 0.133 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -75.4 | -36.8 | 175.4 | -176.4 | 0 | 0 | 0 | 0 | 110.5 | T5 L117 P118 V119 T124 Y125 | T5-V121 HydrophobicContact CG2-CG2 3.85Å; L117-V121 HydrophobicContact CD1-CB 4.1Å; L117-V121 HydrophobicContact CD1-CG1 3.65Å; L117-V121 HydrophobicContact CD2-CG1 4.29Å; L117-V121 HydrophobicContact CG-CB 4.13Å; L117-V121 HydrophobicContact CG-CG1 4.07Å; P118-V121 HydrophobicContact CB-CG2 4.27Å; P118-V121 HydrophobicContact CG-CG2 4.4Å; P118-V121 WeakPolarHBondContact O-CA 3.4Å; P118-V121 WeakPolarHBondContact O-CB 3.5Å; P118-V121 PolarHBondContact O-N 2.86Å; V119-V121 VanDerWaalsContact C-N 3.26Å; V119-V121 PolarHBondContact O-N 3.45Å; V121-T124 PolarHBondContact O-N 3.4Å; V121-Y125 WeakPolarHBondContact O-CB 3.33Å; V121-Y125 PolarHBondContact O-N 2.9Å |
| 122 | Q | 91 | Very high | 91.5 | Very high | 68 Ų | 68 | 85.6 Ų | 85.6 | 32% | 0.318 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63.5 | -41.1 | 174.4 | -179.6 | 59.6 | 54.4 | 0 | 0 | 112 | L117 P118 V119 T124 Y125 T126 | L117-Q122 HydrophobicContact CD2-CB 4.08Å; P118-Q122 PolarHBondContact O-N 3.27Å; V119-Q122 WeakPolarHBondContact O-CA 3.34Å; V119-Q122 WeakPolarHBondContact O-CB 3.19Å; V119-Q122 PolarHBondContact O-N 3.43Å; Q122-T124 VanDerWaalsContact C-N 3.35Å; Q122-T124 PolarHBondContact O-N 3.05Å; Q122-Y125 WeakPolarHBondContact O-CB 3.22Å; Q122-Y125 PolarHBondContact O-N 3.23Å; Q122-T126 PolarHBondContact NE2-OG1 2.98Å; Q122-T126 PolarHBondContact O-N 2.97Å; Q122-T126 PolarHBondContact O-OG1 3.3Å |
| 123 | D | 88.7 | Confident | 91.7 | Very high | 72 Ų | 72 | 80.2 Ų | 80.2 | 39% | 0.385 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -60 | -46.8 | 174.9 | -74.8 | -3.2 | 0 | 0 | 0 | 110.9 | K46 V119 Y125 T126 T127 | K46-D123 IonicContact NZ-OD2 3.02Å; V119-D123 PolarHBondContact O-N 2.82Å; D123-Y125 PolarHBondContact O-N 2.94Å; D123-T126 PolarHBondContact O-N 3.39Å; D123-T127 PolarHBondContact O-N 3.04Å; D123-T127 PolarHBondContact O-OG1 2.97Å |
| 124 | T | 88.6 | Confident | 91.9 | Very high | 69 Ų | 69 | 80.1 Ų | 80.1 | 42% | 0.423 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -62 | -44.9 | 176.4 | -55.4 | 0 | 0 | 0 | 0 | 111.1 | P120 V121 Q122 T126 T127 C128 | P120-T124 PolarHBondContact O-N 2.68Å; P120-T124 PolarHBondContact O-OG1 3.41Å; V121-T124 PolarHBondContact O-N 3.4Å; Q122-T124 VanDerWaalsContact C-N 3.35Å; Q122-T124 PolarHBondContact O-N 3.05Å; T124-T126 VanDerWaalsContact C-N 3.27Å; T124-T126 PolarHBondContact O-N 2.71Å; T124-T127 PolarHBondContact O-N 3.18Å; T124-T127 VanDerWaalsContact O-N 3.15Å; T124-C128 PolarHBondContact O-N 3.32Å; T124-C128 PolarHBondContact O-SG 2.91Å; T124-C128 VanDerWaalsContact O-SG 3.4Å |
| 125 | Y | 91.2 | Very high | 92 | Very high | 108 Ų | 108 | 77.6 Ų | 77.6 | 42% | 0.424 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -59 | -38.1 | 177.9 | 179.1 | -99.5 | 0 | 0 | 0 | 112.3 | R114 V121 Q122 D123 T127 C128 | R114-Y125 PolarHBondContact NH2-OH 2.97Å; V121-Y125 WeakPolarHBondContact O-CB 3.33Å; V121-Y125 PolarHBondContact O-N 2.9Å; Q122-Y125 WeakPolarHBondContact O-CB 3.22Å; Q122-Y125 PolarHBondContact O-N 3.23Å; D123-Y125 PolarHBondContact O-N 2.94Å; Y125-T127 VanDerWaalsContact C-N 3.26Å; Y125-T127 PolarHBondContact O-N 3.05Å; Y125-C128 WeakPolarHBondContact O-CB 3.46Å; Y125-C128 PolarHBondContact O-N 3.21Å |
| 126 | T | 92.4 | Very high | 92.1 | Very high | 98 Ų | 98 | 77.9 Ų | 77.9 | 60% | 0.601 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -70.2 | -24.9 | -179.4 | -52.2 | 0 | 0 | 0 | 0 | 112.4 | Q122 D123 T124 C128 | Q122-T126 PolarHBondContact NE2-OG1 2.98Å; Q122-T126 PolarHBondContact O-N 2.97Å; Q122-T126 PolarHBondContact O-OG1 3.3Å; D123-T126 PolarHBondContact O-N 3.39Å; T124-T126 VanDerWaalsContact C-N 3.27Å; T124-T126 PolarHBondContact O-N 2.71Å; T126-C128 VanDerWaalsContact C-N 3.33Å |
| 127 | T | 91.2 | Very high | 92.2 | Very high | 120 Ų | 120 | 79.6 Ų | 79.6 | 74% | 0.736 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -80.9 | -15.8 | 175.5 | -50.8 | 0 | 0 | 0 | 0 | 112.1 | D123 T124 Y125 | D123-T127 PolarHBondContact O-N 3.04Å; D123-T127 PolarHBondContact O-OG1 2.97Å; T124-T127 PolarHBondContact O-N 3.18Å; T124-T127 VanDerWaalsContact O-N 3.15Å; Y125-T127 VanDerWaalsContact C-N 3.26Å; Y125-T127 PolarHBondContact O-N 3.05Å |
| 128 | C | 93.3 | Very high | 92.4 | Very high | 73 Ų | 73 | 78.6 Ų | 78.6 | 49% | 0.493 | 45% | 0.448 | S | S | . | . | S | Bend | trans | -71.6 | 155 | 176.8 | -63.2 | 0 | 0 | 0 | 0 | 112.1 | T124 Y125 T126 P130 | T124-C128 PolarHBondContact O-N 3.32Å; T124-C128 PolarHBondContact O-SG 2.91Å; T124-C128 VanDerWaalsContact O-SG 3.4Å; Y125-C128 WeakPolarHBondContact O-CB 3.46Å; Y125-C128 PolarHBondContact O-N 3.21Å; T126-C128 VanDerWaalsContact C-N 3.33Å; C128-P130 WeakPolarHBondContact O-CD 3.38Å |
| 129 | N | 95.9 | Very high | 92.6 | Very high | 160 Ų | 160 | 82.8 Ų | 82.8 | 86% | 0.856 | 46% | 0.463 | S | S | * | . | P | Polyproline II helix | trans | -64 | 125.2 | 175.8 | -68.9 | -30.8 | 0 | 0 | 0 | 110.6 | ||
| 130 | P | 95.2 | Very high | 92.9 | Very high | 110 Ų | 110 | 86.8 Ų | 86.8 | 71% | 0.714 | 47% | 0.469 | S | S | * | . | P | Polyproline II helix | trans | -71.8 | 157.6 | 174.7 | 30.7 | -34.7 | 0 | 0 | 0 | 110.8 | C128 | C128-P130 WeakPolarHBondContact O-CD 3.38Š|
| 131 | P | 95.4 | Very high | 93.3 | Very high | 52 Ų | 52 | 90.6 Ų | 90.6 | 34% | 0.338 | 48% | 0.483 | S | S | . | . | P | Polyproline II helix | trans | -64.1 | 157.2 | 172.6 | 29.8 | -35.5 | 0 | 0 | 0 | 110.7 | L148 Y151 | P131-L148 HydrophobicContact CB-CD1 3.94Å; P131-L148 HydrophobicContact CG-CD1 4.15Å; P131-Y151 HydrophobicContact CB-CD1 4.03Å; P131-Y151 HydrophobicContact CB-CE1 3.77Å |
| 132 | P | 95.6 | Very high | 93.6 | Very high | 60 Ų | 60 | 99.3 Ų | 99.3 | 39% | 0.39 | 52% | 0.522 | S | S | . | . | P | Polyproline II helix | trans | -53.8 | 144.7 | 172.1 | -23.3 | 33.4 | 0 | 0 | 0 | 111 | L134 Y151 | P132-L134 HydrophobicContact CB-CD2 4.37Å; P132-L134 HydrophobicContact CB-CG 4.18Å; P132-L134 PolarHBondContact O-N 3.49Å; P132-Y151 HydrophobicContact CG-CE2 4.48Å |
| 133 | P | 94.7 | Very high | 93.8 | Very high | 89 Ų | 89 | 99.4 Ų | 99.4 | 58% | 0.578 | 53% | 0.525 | S | S | * | . | trans | -76.7 | 53.4 | -173.5 | 33 | -37.4 | 0 | 0 | 0 | 112.8 | N135 Q136 | P133-N135 PolarHBondContact O-N 3.43Å; P133-N135 VanDerWaalsContact O-N 3.15Å; P133-Q136 PolarHBondContact O-N 3.45Å | ||
| 134 | L | 95.9 | Very high | 93.9 | Very high | 53 Ų | 53 | 99.4 Ų | 99.4 | 28% | 0.277 | 54% | 0.542 | S | S | . | . | G | 310 helix | trans | -63.8 | -20.8 | -177.1 | -61.4 | 179.6 | 0 | 0 | 0 | 112.8 | P132 Q136 L137 A147 L148 Y151 | P132-L134 HydrophobicContact CB-CD2 4.37Å; P132-L134 HydrophobicContact CB-CG 4.18Å; P132-L134 PolarHBondContact O-N 3.49Å; L134-Q136 PolarHBondContact O-N 2.89Å; L134-Q136 VanDerWaalsContact O-N 3.07Å; L134-L137 WeakPolarHBondContact O-CA 3.33Å; L134-L137 WeakPolarHBondContact O-CB 3.45Å; L134-L137 PolarHBondContact O-N 2.91Å; L134-A147 HydrophobicContact CB-CB 4.26Å; L134-A147 VanDerWaalsContact O-CB 3.27Å; L134-A147 WeakPolarHBondContact O-CB 3.37Å; L134-L148 HydrophobicContact CB-CB 4.5Å; L134-L148 HydrophobicContact CB-CD1 4.47Å; L134-Y151 HydrophobicContact CD1-CD2 4.46Å; L134-Y151 HydrophobicContact CD1-CG 4.17Å |
| 135 | N | 93.9 | Very high | 94.1 | Very high | 88 Ų | 88 | 102.1 Ų | 102.1 | 47% | 0.471 | 55% | 0.548 | S | S | . | . | G | 310 helix | trans | -54.9 | -27.1 | 175.3 | -78.3 | -17.2 | 0 | 0 | 0 | 113.5 | P133 L137 S138 L148 | P133-N135 PolarHBondContact O-N 3.43Å; P133-N135 VanDerWaalsContact O-N 3.15Å; N135-L137 PolarHBondContact O-N 3.33Å; N135-S138 WeakPolarHBondContact O-CB 3.22Å; N135-S138 PolarHBondContact O-N 3.12Å; N135-S138 PolarHBondContact O-OG 3.22Å; N135-L148 WeakPolarHBondContact OD1-CB 3.36Å |
| 136 | Q | 94.7 | Very high | 94.3 | Very high | 130 Ų | 130 | 102 Ų | 102 | 61% | 0.607 | 55% | 0.551 | S | S | * | * | G | 310 helix | trans | -66.9 | -24.6 | 175.8 | -61.2 | 176.7 | 15.2 | 0 | 0 | 112.6 | P133 L134 Q139 | P133-Q136 PolarHBondContact O-N 3.45Å; L134-Q136 PolarHBondContact O-N 2.89Å; L134-Q136 VanDerWaalsContact O-N 3.07Å; Q136-Q139 PolarHBondContact O-NE2 2.99Å |
| 137 | L | 94.6 | Very high | 94.4 | Very high | 95 Ų | 95 | 97.9 Ų | 97.9 | 50% | 0.497 | 53% | 0.527 | S | S | . | . | G | 310 helix | trans | -87.3 | -12.1 | 178.5 | -69.2 | 85.2 | 0 | 0 | 0 | 112.8 | L134 N135 Q139 Y140 A147 | L134-L137 WeakPolarHBondContact O-CA 3.33Å; L134-L137 WeakPolarHBondContact O-CB 3.45Å; L134-L137 PolarHBondContact O-N 2.91Å; N135-L137 PolarHBondContact O-N 3.33Å; L137-Q139 PolarHBondContact O-N 3.01Å; L137-Y140 PolarHBondContact O-N 2.92Å; L137-A147 HydrophobicContact CB-CB 4.43Å |
| 138 | S | 93.6 | Very high | 94.6 | Very high | 30 Ų | 30 | 93.7 Ų | 93.7 | 21% | 0.21 | 50% | 0.5 | C | S | . | . | G | 310 helix | trans | -56.6 | -33.7 | 179.9 | -60.3 | 0 | 0 | 0 | 0 | 112.4 | N135 Y140 R141 A147 | N135-S138 WeakPolarHBondContact O-CB 3.22Å; N135-S138 PolarHBondContact O-N 3.12Å; N135-S138 PolarHBondContact O-OG 3.22Å; S138-Y140 PolarHBondContact O-N 2.77Å; S138-R141 WeakPolarHBondContact O-CB 3.42Å; S138-R141 PolarHBondContact O-N 3.07Å; S138-A147 PolarHBondContact OG-N 3.25Å |
| 139 | Q | 94.8 | Very high | 94.8 | Very high | 145 Ų | 145 | 94.8 Ų | 94.8 | 68% | 0.678 | 50% | 0.496 | S | S | * | . | G | 310 helix | trans | -64.8 | -22.2 | 178.6 | 72.3 | -172.4 | -60.4 | 0 | 0 | 114.2 | Q136 L137 | Q136-Q139 PolarHBondContact O-NE2 2.99Å; L137-Q139 PolarHBondContact O-N 3.01Å |
| 140 | Y | 94.6 | Very high | 94.7 | Very high | 176 Ų | 176 | 93.1 Ų | 93.1 | 69% | 0.69 | 48% | 0.482 | S | S | * | . | G | 310 helix | trans | -95.9 | 4 | -179.4 | -53.2 | -69 | 0 | 0 | 0 | 112.4 | L137 S138 | L137-Y140 PolarHBondContact O-N 2.92Å; S138-Y140 PolarHBondContact O-N 2.77Å |
| 141 | R | 95 | Very high | 94.8 | Very high | 85 Ų | 85 | 94.8 Ų | 94.8 | 32% | 0.321 | 48% | 0.475 | S | S | . | . | trans | -88.2 | 133.8 | -179.8 | -65.6 | -172 | 59.5 | 85.3 | 9 | 111.1 | S138 D143 K145 | S138-R141 WeakPolarHBondContact O-CB 3.42Å; S138-R141 PolarHBondContact O-N 3.07Å; R141-D143 IonicContact CZ-OD1 3.39Å; R141-D143 IonicContact CZ-OD2 3.66Å; R141-D143 IonicContact NE-OD1 3.89Å; R141-D143 PolarHBondContact NE-OD1 3.48Å; R141-D143 IonicContact NE-OD2 2.82Å; R141-D143 IonicContact NH2-OD1 3.11Å; R141-D143 PolarHBondContact NH2-OD1 3.11Å; R141-D143 VanDerWaalsContact NH2-OD1 3.11Å; R141-D143 IonicContact NH2-OD2 2.69Å; R141-D143 PolarHBondContact NH2-OD2 3.06Å; R141-K145 VanDerWaalsContact CD-O 3.23Å; R141-K145 WeakPolarHBondContact CD-O 3.26Å; R141-K145 PolarHBondContact NE-O 3.32Å | ||
| 142 | E | 95.3 | Very high | 94.8 | Very high | 204 Ų | 204 | 95.4 Ų | 95.4 | 95% | 0.953 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -23.3 | 178.7 | -60.9 | -179.7 | 176.3 | 0 | 0 | 113.1 | G144 | E142-G144 VanDerWaalsContact C-N 3.32Å; E142-G144 PolarHBondContact O-N 3.01Å |
| 143 | D | 94.3 | Very high | 94.8 | Very high | 70 Ų | 70 | 94.6 Ų | 94.6 | 37% | 0.374 | 47% | 0.47 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | -1.1 | -176.7 | 68.9 | -13.3 | 0 | 0 | 0 | 114.3 | R141 K145 | R141-D143 IonicContact CZ-OD1 3.39Å; R141-D143 IonicContact CZ-OD2 3.66Å; R141-D143 IonicContact NE-OD1 3.89Å; R141-D143 PolarHBondContact NE-OD1 3.48Å; R141-D143 IonicContact NE-OD2 2.82Å; R141-D143 IonicContact NH2-OD1 3.11Å; R141-D143 PolarHBondContact NH2-OD1 3.11Å; R141-D143 VanDerWaalsContact NH2-OD1 3.11Å; R141-D143 IonicContact NH2-OD2 2.69Å; R141-D143 PolarHBondContact NH2-OD2 3.06Å; D143-K145 HydrophobicContact CB-CG 4.37Å; D143-K145 PolarHBondContact O-N 3.26Å; D143-K145 VanDerWaalsContact O-N 3.14Å; D143-K145 PolarHBondContact OD1-N 3.18Å; D143-K145 WeakPolarHBondContact OD2-CD 3.13Å |
| 144 | G | 91.8 | Very high | 94.8 | Very high | 73 Ų | 73 | 95.5 Ų | 95.5 | 75% | 0.753 | 48% | 0.476 | S | S | * | . | trans | 65.3 | 10.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | E142 | E142-G144 VanDerWaalsContact C-N 3.32Å; E142-G144 PolarHBondContact O-N 3.01Å | ||
| 145 | K | 93 | Very high | 94.8 | Very high | 125 Ų | 125 | 94.8 Ų | 94.8 | 54% | 0.543 | 48% | 0.476 | S | S | . | . | trans | -89.8 | 149.8 | -179 | -62.4 | -176 | -171.2 | 169.7 | 0 | 111 | R141 D143 A147 F150 | R141-K145 VanDerWaalsContact CD-O 3.23Å; R141-K145 WeakPolarHBondContact CD-O 3.26Å; R141-K145 PolarHBondContact NE-O 3.32Å; D143-K145 HydrophobicContact CB-CG 4.37Å; D143-K145 PolarHBondContact O-N 3.26Å; D143-K145 VanDerWaalsContact O-N 3.14Å; D143-K145 PolarHBondContact OD1-N 3.18Å; D143-K145 WeakPolarHBondContact OD2-CD 3.13Å; K145-A147 PolarHBondContact O-N 3.28Å; K145-F150 HydrophobicContact CB-CE2 3.87Å; K145-F150 HydrophobicContact CB-CZ 4.26Å; K145-F150 HydrophobicContact CD-CE2 4.46Å; K145-F150 HydrophobicContact CD-CZ 4.06Å | ||
| 146 | E | 94.2 | Very high | 94.9 | Very high | 106 Ų | 106 | 96.6 Ų | 96.6 | 50% | 0.495 | 48% | 0.477 | S | S | . | . | trans | -66.6 | 123.1 | 173.7 | -70 | 178.1 | 166.1 | 0 | 0 | 110.6 | L148 K149 F150 | E146-L148 PolarHBondContact O-N 2.96Å; E146-K149 HydrophobicContact CB-CD 4.29Å; E146-K149 HydrophobicContact CB-CG 4Å; E146-K149 WeakPolarHBondContact O-CB 3.32Å; E146-K149 PolarHBondContact O-N 3.49Å; E146-K149 VanDerWaalsContact O-N 3.11Å; E146-K149 WeakPolarHBondContact OE2-CE 3.41Å; E146-F150 WeakPolarHBondContact O-CD2 3.5Å | ||
| 147 | A | 95.4 | Very high | 95 | Very high | 11 Ų | 11 | 98.1 Ų | 98.1 | 9% | 0.091 | 48% | 0.481 | C | S | . | . | G | 310 helix | trans | -59.6 | -34.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L134 L137 S138 K145 K149 F150 | L134-A147 HydrophobicContact CB-CB 4.26Å; L134-A147 VanDerWaalsContact O-CB 3.27Å; L134-A147 WeakPolarHBondContact O-CB 3.37Å; L137-A147 HydrophobicContact CB-CB 4.43Å; S138-A147 PolarHBondContact OG-N 3.25Å; K145-A147 PolarHBondContact O-N 3.28Å; A147-K149 VanDerWaalsContact C-N 3.27Å; A147-K149 PolarHBondContact O-N 3.26Å; A147-F150 WeakPolarHBondContact O-CB 3.32Å; A147-F150 PolarHBondContact O-N 2.76Å |
| 148 | L | 96.1 | Very high | 95.1 | Very high | 33 Ų | 33 | 98 Ų | 98 | 17% | 0.173 | 48% | 0.477 | C | S | . | . | G | 310 helix | trans | -65.1 | -29.4 | 179.1 | -176.2 | 64 | 0 | 0 | 0 | 112.7 | P131 L134 N135 E146 F150 Y151 T152 | P131-L148 HydrophobicContact CB-CD1 3.94Å; P131-L148 HydrophobicContact CG-CD1 4.15Å; L134-L148 HydrophobicContact CB-CB 4.5Å; L134-L148 HydrophobicContact CB-CD1 4.47Å; N135-L148 WeakPolarHBondContact OD1-CB 3.36Å; E146-L148 PolarHBondContact O-N 2.96Å; L148-F150 PolarHBondContact O-N 3.29Å; L148-Y151 HydrophobicContact CD1-CD1 4.24Å; L148-Y151 CarbonylContact O-C 3.6Å; L148-Y151 WeakPolarHBondContact O-CA 3.42Å; L148-Y151 WeakPolarHBondContact O-CB 3.2Å; L148-Y151 PolarHBondContact O-N 3.5Å; L148-T152 HydrophobicContact CD1-CG2 4Å; L148-T152 HydrophobicContact CG-CG2 4.05Å; L148-T152 PolarHBondContact O-N 3.4Å |
| 149 | K | 96.1 | Very high | 95.2 | Very high | 96 Ų | 96 | 100 Ų | 100 | 42% | 0.417 | 49% | 0.486 | S | S | . | . | G | 310 helix | trans | -63.4 | -23.1 | 177 | -70.7 | -169.7 | 176.7 | -155.8 | 0 | 113.4 | E146 A147 Y151 T152 D153 | E146-K149 HydrophobicContact CB-CD 4.29Å; E146-K149 HydrophobicContact CB-CG 4Å; E146-K149 WeakPolarHBondContact O-CB 3.32Å; E146-K149 PolarHBondContact O-N 3.49Å; E146-K149 VanDerWaalsContact O-N 3.11Å; E146-K149 WeakPolarHBondContact OE2-CE 3.41Å; A147-K149 VanDerWaalsContact C-N 3.27Å; A147-K149 PolarHBondContact O-N 3.26Å; K149-Y151 VanDerWaalsContact C-N 3.26Å; K149-Y151 PolarHBondContact O-N 2.95Å; K149-T152 WeakPolarHBondContact CA-O 3.28Å; K149-D153 HydrophobicContact CB-CB 4.24Å; K149-D153 HydrophobicContact CG-CB 4.44Å |
| 150 | F | 94.9 | Very high | 95.3 | Very high | 124 Ų | 124 | 97.1 Ų | 97.1 | 54% | 0.544 | 47% | 0.474 | S | S | . | . | G | 310 helix | trans | -74.2 | -18.4 | 172.4 | -66.6 | -94.3 | 0 | 0 | 0 | 113.1 | K145 E146 A147 L148 | K145-F150 HydrophobicContact CB-CE2 3.87Å; K145-F150 HydrophobicContact CB-CZ 4.26Å; K145-F150 HydrophobicContact CD-CE2 4.46Å; K145-F150 HydrophobicContact CD-CZ 4.06Å; E146-F150 WeakPolarHBondContact O-CD2 3.5Å; A147-F150 WeakPolarHBondContact O-CB 3.32Å; A147-F150 PolarHBondContact O-N 2.76Å; L148-F150 PolarHBondContact O-N 3.29Å |
| 151 | Y | 96.5 | Very high | 95.4 | Very high | 145 Ų | 145 | 92.9 Ų | 92.9 | 57% | 0.569 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.6 | -46.3 | 174.7 | 178.9 | -93.4 | 0 | 0 | 0 | 111.7 | P131 P132 L134 L148 K149 | P131-Y151 HydrophobicContact CB-CD1 4.03Å; P131-Y151 HydrophobicContact CB-CE1 3.77Å; P132-Y151 HydrophobicContact CG-CE2 4.48Å; L134-Y151 HydrophobicContact CD1-CD2 4.46Å; L134-Y151 HydrophobicContact CD1-CG 4.17Å; L148-Y151 HydrophobicContact CD1-CD1 4.24Å; L148-Y151 CarbonylContact O-C 3.6Å; L148-Y151 WeakPolarHBondContact O-CA 3.42Å; L148-Y151 WeakPolarHBondContact O-CB 3.2Å; L148-Y151 PolarHBondContact O-N 3.5Å; K149-Y151 VanDerWaalsContact C-N 3.26Å; K149-Y151 PolarHBondContact O-N 2.95Å |
| 152 | T | 96.2 | Very high | 95.4 | Very high | 65 Ų | 65 | 93.4 Ų | 93.4 | 40% | 0.399 | 46% | 0.462 | S | S | . | . | trans | -148.4 | 124.1 | 178.5 | -173.4 | 0 | 0 | 0 | 0 | 110.5 | L148 K149 | L148-T152 HydrophobicContact CD1-CG2 4Å; L148-T152 HydrophobicContact CG-CG2 4.05Å; L148-T152 PolarHBondContact O-N 3.4Å; K149-T152 WeakPolarHBondContact CA-O 3.28Å | ||
| 153 | D | 96.1 | Very high | 95.4 | Very high | 44 Ų | 44 | 90 Ų | 90 | 24% | 0.235 | 45% | 0.446 | C | S | . | . | trans | -129.5 | 100.7 | 176.6 | -175.8 | 4.2 | 0 | 0 | 0 | 110.7 | K149 S155 Y156 | K149-D153 HydrophobicContact CB-CB 4.24Å; K149-D153 HydrophobicContact CG-CB 4.44Å; D153-S155 VanDerWaalsContact C-N 3.26Å; D153-S155 PolarHBondContact O-N 2.92Å; D153-S155 PolarHBondContact OD1-N 2.99Å; D153-S155 PolarHBondContact OD1-OG 2.85Å; D153-Y156 VanDerWaalsContact O-CB 3.3Å; D153-Y156 WeakPolarHBondContact O-CB 3.49Å; D153-Y156 PolarHBondContact O-N 2.81Å | ||
| 154 | P | 94.6 | Very high | 95.5 | Very high | 108 Ų | 108 | 92 Ų | 92 | 70% | 0.701 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -23.7 | 176.1 | -22.9 | 34.7 | 0 | 0 | 0 | 114.2 | ||
| 155 | S | 95.1 | Very high | 95.6 | Very high | 38 Ų | 38 | 90.4 Ų | 90.4 | 27% | 0.266 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -17.3 | -179.5 | 74.9 | 0 | 0 | 0 | 0 | 113 | D153 F157 F158 D159 | D153-S155 VanDerWaalsContact C-N 3.26Å; D153-S155 PolarHBondContact O-N 2.92Å; D153-S155 PolarHBondContact OD1-N 2.99Å; D153-S155 PolarHBondContact OD1-OG 2.85Å; S155-F157 VanDerWaalsContact C-N 3.28Å; S155-F157 PolarHBondContact O-N 3.37Å; S155-F157 VanDerWaalsContact O-N 3.12Å; S155-F158 PolarHBondContact O-N 3.27Å; S155-D159 WeakPolarHBondContact CB-OD2 3.4Å; S155-D159 PolarHBondContact O-N 3.49Å; S155-D159 PolarHBondContact OG-OD2 3.34Å |
| 156 | Y | 96.7 | Very high | 95.7 | Very high | 125 Ų | 125 | 86.8 Ų | 86.8 | 49% | 0.49 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -45.7 | -47.5 | -178.1 | 179.5 | -99.4 | 0 | 0 | 0 | 114 | D153 F158 D159 L160 | D153-Y156 VanDerWaalsContact O-CB 3.3Å; D153-Y156 WeakPolarHBondContact O-CB 3.49Å; D153-Y156 PolarHBondContact O-N 2.81Å; Y156-F158 PolarHBondContact O-N 3.32Å; Y156-D159 PolarHBondContact O-N 3.49Å; Y156-L160 HydrophobicContact CE1-CD2 4.04Å; Y156-L160 VanDerWaalsContact O-CB 3.27Å; Y156-L160 WeakPolarHBondContact O-CB 3.05Å; Y156-L160 PolarHBondContact O-N 3.26Å |
| 157 | F | 96.4 | Very high | 95.7 | Very high | 162 Ų | 162 | 85.8 Ų | 85.8 | 71% | 0.711 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -63.5 | -42.3 | -178.5 | -63.9 | -71.9 | 0 | 0 | 0 | 112.5 | S155 W161 | S155-F157 VanDerWaalsContact C-N 3.28Å; S155-F157 PolarHBondContact O-N 3.37Å; S155-F157 VanDerWaalsContact O-N 3.12Å; F157-W161 WeakPolarHBondContact O-CB 3.19Å; F157-W161 PolarHBondContact O-N 2.96Å |
| 158 | F | 95.8 | Very high | 95.7 | Very high | 93 Ų | 93 | 88 Ų | 88 | 41% | 0.408 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -71.1 | -42.3 | 178.8 | 177.7 | -100.5 | 0 | 0 | 0 | 111 | S155 Y156 W161 K162 | S155-F158 PolarHBondContact O-N 3.27Å; Y156-F158 PolarHBondContact O-N 3.32Å; F158-W161 AromaticContact CD2-CE3 3.95Å; F158-W161 HydrophobicContact CD2-CE3 3.95Å; F158-W161 HydrophobicContact CD2-CZ3 4.27Å; F158-W161 AromaticContact CE2-CE3 3.87Å; F158-W161 HydrophobicContact CE2-CE3 3.87Å; F158-W161 AromaticContact CE2-CZ3 3.72Å; F158-W161 HydrophobicContact CE2-CZ3 3.72Å; F158-W161 HydrophobicContact CZ-CZ3 4.4Å; F158-W161 PolarHBondContact O-N 2.9Å; F158-K162 HydrophobicContact CE1-CD 4.25Å; F158-K162 VanDerWaalsContact O-CB 3.22Å; F158-K162 WeakPolarHBondContact O-CB 3.35Å; F158-K162 PolarHBondContact O-N 3.43Å |
| 159 | D | 96.1 | Very high | 95.6 | Very high | 72 Ų | 72 | 86.9 Ų | 86.9 | 39% | 0.385 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -63.1 | -46.7 | -179.6 | -66.6 | -32.1 | 0 | 0 | 0 | 111.1 | S155 Y156 K162 E163 | S155-D159 WeakPolarHBondContact CB-OD2 3.4Å; S155-D159 PolarHBondContact O-N 3.49Å; S155-D159 PolarHBondContact OG-OD2 3.34Å; Y156-D159 PolarHBondContact O-N 3.49Å; D159-K162 PolarHBondContact O-N 3.5Å; D159-E163 WeakPolarHBondContact O-CB 3.41Å; D159-E163 PolarHBondContact O-N 3.01Å |
| 160 | L | 96.4 | Very high | 95.4 | Very high | 85 Ų | 85 | 86.7 Ų | 86.7 | 45% | 0.445 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -64 | -42.1 | 176.2 | -174.5 | 66.5 | 0 | 0 | 0 | 112 | Y156 E163 K164 | Y156-L160 HydrophobicContact CE1-CD2 4.04Å; Y156-L160 VanDerWaalsContact O-CB 3.27Å; Y156-L160 WeakPolarHBondContact O-CB 3.05Å; Y156-L160 PolarHBondContact O-N 3.26Å; L160-E163 PolarHBondContact O-N 3.05Å; L160-K164 WeakPolarHBondContact O-CB 3.43Å; L160-K164 PolarHBondContact O-N 3.44Å |
| 161 | W | 96.8 | Very high | 95.4 | Very high | 87 Ų | 87 | 84.2 Ų | 84.2 | 33% | 0.33 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -63.1 | -45.6 | 176.2 | 169.9 | 82.7 | 0 | 0 | 0 | 111.5 | F157 F158 E163 K164 M165 V452 A453 | F157-W161 WeakPolarHBondContact O-CB 3.19Å; F157-W161 PolarHBondContact O-N 2.96Å; F158-W161 AromaticContact CD2-CE3 3.95Å; F158-W161 HydrophobicContact CD2-CE3 3.95Å; F158-W161 HydrophobicContact CD2-CZ3 4.27Å; F158-W161 AromaticContact CE2-CE3 3.87Å; F158-W161 HydrophobicContact CE2-CE3 3.87Å; F158-W161 AromaticContact CE2-CZ3 3.72Å; F158-W161 HydrophobicContact CE2-CZ3 3.72Å; F158-W161 HydrophobicContact CZ-CZ3 4.4Å; F158-W161 PolarHBondContact O-N 2.9Å; W161-E163 PolarHBondContact O-N 3.05Å; W161-K164 PolarHBondContact O-N 3.23Å; W161-M165 HydrophobicContact CD2-CG 4.06Å; W161-M165 VanDerWaalsContact CE2-CG 3.49Å; W161-M165 HydrophobicContact CG-CG 4.46Å; W161-M165 HydrophobicContact CH2-CG 4.21Å; W161-M165 HydrophobicContact CZ2-CG 3.61Å; W161-M165 HydrophobicContact CZ2-SD 4.4Å; W161-M165 WeakPolarHBondContact O-CG 3.47Å; W161-M165 PolarHBondContact O-N 3.45Å; W161-V452 HydrophobicContact CH2-CB 3.66Å; W161-V452 HydrophobicContact CH2-CG1 3.57Å; W161-V452 HydrophobicContact CZ3-CB 4.18Å; W161-V452 HydrophobicContact CZ3-CG1 3.67Å; W161-A453 HydrophobicContact CZ2-CB 4.37Å |
| 162 | K | 95.4 | Very high | 95.2 | Very high | 95 Ų | 95 | 82.4 Ų | 82.4 | 41% | 0.413 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -59.9 | -47.2 | 178.2 | 175.7 | -173.4 | 173.3 | -174 | 0 | 110.7 | F158 D159 K164 M165 L166 L456 | F158-K162 HydrophobicContact CE1-CD 4.25Å; F158-K162 VanDerWaalsContact O-CB 3.22Å; F158-K162 WeakPolarHBondContact O-CB 3.35Å; F158-K162 PolarHBondContact O-N 3.43Å; D159-K162 PolarHBondContact O-N 3.5Å; K162-K164 VanDerWaalsContact C-N 3.35Å; K162-K164 PolarHBondContact O-N 3.23Å; K162-M165 PolarHBondContact O-N 2.85Å; K162-L166 PolarHBondContact O-N 3.4Å; K162-L456 HydrophobicContact CG-CD1 4.38Å |
| 163 | E | 96.5 | Very high | 94.8 | Very high | 132 Ų | 132 | 81.5 Ų | 81.5 | 62% | 0.617 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -57 | -49.1 | 176 | -178.4 | 176.9 | -165.4 | 0 | 0 | 111 | D159 L160 W161 M165 L166 Q167 | D159-E163 WeakPolarHBondContact O-CB 3.41Å; D159-E163 PolarHBondContact O-N 3.01Å; L160-E163 PolarHBondContact O-N 3.05Å; W161-E163 PolarHBondContact O-N 3.05Å; E163-M165 PolarHBondContact O-N 3.13Å; E163-L166 WeakPolarHBondContact O-CB 3.01Å; E163-L166 PolarHBondContact O-N 2.99Å; E163-Q167 PolarHBondContact O-N 2.81Å |
| 164 | K | 95.5 | Very high | 94.7 | Very high | 113 Ų | 113 | 85.8 Ų | 85.8 | 49% | 0.491 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -58.1 | -46.6 | 176.9 | 179 | 172.9 | 170.4 | 41 | 0 | 112.4 | L160 W161 K162 L166 Q167 D168 | L160-K164 WeakPolarHBondContact O-CB 3.43Å; L160-K164 PolarHBondContact O-N 3.44Å; W161-K164 PolarHBondContact O-N 3.23Å; K162-K164 VanDerWaalsContact C-N 3.35Å; K162-K164 PolarHBondContact O-N 3.23Å; K164-L166 VanDerWaalsContact C-N 3.28Å; K164-L166 PolarHBondContact O-N 3.42Å; K164-Q167 PolarHBondContact O-N 3.47Å; K164-D168 WeakPolarHBondContact CE-OD2 3.2Å; K164-D168 VanDerWaalsContact NZ-CG 3.33Å; K164-D168 IonicContact NZ-OD1 2.87Å; K164-D168 PolarHBondContact NZ-OD1 3.42Å; K164-D168 IonicContact NZ-OD2 3.83Å; K164-D168 PolarHBondContact NZ-OD2 2.96Å; K164-D168 WeakPolarHBondContact O-CB 3.34Å; K164-D168 VanDerWaalsContact O-CG 3.26Å; K164-D168 PolarHBondContact O-N 3Å |
| 165 | M | 93.5 | Very high | 94.5 | Very high | 39 Ų | 39 | 85.6 Ų | 85.6 | 19% | 0.192 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -65 | -34.4 | -179.7 | -68.3 | -59.8 | 92.2 | 0 | 0 | 112.5 | W161 K162 E163 D168 T169 A453 | W161-M165 HydrophobicContact CD2-CG 4.06Å; W161-M165 VanDerWaalsContact CE2-CG 3.49Å; W161-M165 HydrophobicContact CG-CG 4.46Å; W161-M165 HydrophobicContact CH2-CG 4.21Å; W161-M165 HydrophobicContact CZ2-CG 3.61Å; W161-M165 HydrophobicContact CZ2-SD 4.4Å; W161-M165 WeakPolarHBondContact O-CG 3.47Å; W161-M165 PolarHBondContact O-N 3.45Å; K162-M165 PolarHBondContact O-N 2.85Å; E163-M165 PolarHBondContact O-N 3.13Å; M165-D168 VanDerWaalsContact CE-OD2 3.32Å; M165-D168 WeakPolarHBondContact CE-OD2 3.1Å; M165-T169 VanDerWaalsContact O-CB 3.32Å; M165-T169 WeakPolarHBondContact O-CB 3.22Å; M165-T169 PolarHBondContact O-N 3.33Å; M165-T169 PolarHBondContact O-OG1 2.93Å; M165-A453 HydrophobicContact CG-CB 4.41Å; M165-A453 HydrophobicContact SD-CB 4.21Å |
| 166 | L | 95.1 | Very high | 94.3 | Very high | 50 Ų | 50 | 90.2 Ų | 90.2 | 26% | 0.262 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -66.7 | -43.2 | 174.2 | -132.7 | 69.8 | 0 | 0 | 0 | 111.5 | K162 E163 K164 T169 K170 L456 I460 | K162-L166 PolarHBondContact O-N 3.4Å; E163-L166 WeakPolarHBondContact O-CB 3.01Å; E163-L166 PolarHBondContact O-N 2.99Å; K164-L166 VanDerWaalsContact C-N 3.28Å; K164-L166 PolarHBondContact O-N 3.42Å; L166-T169 PolarHBondContact O-N 3.31Å; L166-K170 WeakPolarHBondContact O-CG 3.39Å; L166-K170 PolarHBondContact O-N 3.05Å; L166-L456 HydrophobicContact CD1-CB 4.04Å; L166-L456 HydrophobicContact CD1-CD1 4.05Å; L166-L456 HydrophobicContact CD1-CD2 3.78Å; L166-L456 HydrophobicContact CD1-CG 4.17Å; L166-I460 HydrophobicContact CD1-CD1 3.47Å; L166-I460 VanDerWaalsContact CD1-CD1 3.47Å; L166-I460 HydrophobicContact CD2-CD1 4.49Å; L166-I460 HydrophobicContact CG-CD1 3.62Å |
| 167 | Q | 95.6 | Very high | 94 | Very high | 85 Ų | 85 | 89.9 Ų | 89.9 | 40% | 0.397 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -66 | -49.2 | 178 | -172.2 | 55.1 | 43.8 | 0 | 0 | 111.4 | E163 K164 T169 K170 D171 | E163-Q167 PolarHBondContact O-N 2.81Å; K164-Q167 PolarHBondContact O-N 3.47Å; Q167-T169 PolarHBondContact O-N 3.46Å; Q167-K170 WeakPolarHBondContact O-CB 3.43Å; Q167-K170 PolarHBondContact O-N 3.27Å; Q167-D171 PolarHBondContact NE2-OD1 3.12Å; Q167-D171 PolarHBondContact NE2-OD2 3.34Å; Q167-D171 PolarHBondContact O-N 2.88Å |
| 168 | D | 94 | Very high | 93.7 | Very high | 56 Ų | 56 | 87.1 Ų | 87.1 | 30% | 0.299 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -57.5 | -39.7 | 176.6 | -69.8 | -7.6 | 0 | 0 | 0 | 110.7 | K164 M165 D171 I172 | K164-D168 WeakPolarHBondContact CE-OD2 3.2Å; K164-D168 VanDerWaalsContact NZ-CG 3.33Å; K164-D168 IonicContact NZ-OD1 2.87Å; K164-D168 PolarHBondContact NZ-OD1 3.42Å; K164-D168 IonicContact NZ-OD2 3.83Å; K164-D168 PolarHBondContact NZ-OD2 2.96Å; K164-D168 WeakPolarHBondContact O-CB 3.34Å; K164-D168 VanDerWaalsContact O-CG 3.26Å; K164-D168 PolarHBondContact O-N 3Å; M165-D168 VanDerWaalsContact CE-OD2 3.32Å; M165-D168 WeakPolarHBondContact CE-OD2 3.1Å; D168-D171 PolarHBondContact O-N 3.29Å; D168-I172 WeakPolarHBondContact O-CB 3.3Å; D168-I172 WeakPolarHBondContact O-CD1 3.27Å; D168-I172 WeakPolarHBondContact O-CG1 3.45Å; D168-I172 PolarHBondContact O-N 3.43Å |
| 169 | T | 93.9 | Very high | 93.1 | Very high | 10 Ų | 10 | 88.2 Ų | 88.2 | 6% | 0.061 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -61.4 | -47 | 174.5 | -65.2 | 0 | 0 | 0 | 0 | 111.8 | M165 L166 Q167 D171 I172 M173 S457 I460 | M165-T169 VanDerWaalsContact O-CB 3.32Å; M165-T169 WeakPolarHBondContact O-CB 3.22Å; M165-T169 PolarHBondContact O-N 3.33Å; M165-T169 PolarHBondContact O-OG1 2.93Å; L166-T169 PolarHBondContact O-N 3.31Å; Q167-T169 PolarHBondContact O-N 3.46Å; T169-D171 VanDerWaalsContact C-N 3.31Å; T169-D171 PolarHBondContact O-N 2.97Å; T169-I172 PolarHBondContact O-N 3.03Å; T169-M173 HydrophobicContact CG2-SD 4.28Å; T169-M173 WeakPolarHBondContact O-CG 3.47Å; T169-M173 PolarHBondContact O-N 3.39Å; T169-S457 PolarHBondContact OG1-OG 2.89Å; T169-I460 HydrophobicContact CG2-CB 4.47Å; T169-I460 HydrophobicContact CG2-CD1 4.21Å |
| 170 | K | 93.4 | Very high | 92.6 | Very high | 93 Ų | 93 | 93.2 Ų | 93.2 | 40% | 0.404 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -61.5 | -41.2 | 178.2 | -73.3 | 174.5 | -179.1 | 178.9 | 0 | 111.3 | L166 Q167 M173 K174 | L166-K170 WeakPolarHBondContact O-CG 3.39Å; L166-K170 PolarHBondContact O-N 3.05Å; Q167-K170 WeakPolarHBondContact O-CB 3.43Å; Q167-K170 PolarHBondContact O-N 3.27Å; K170-M173 PolarHBondContact O-N 3.32Å; K170-K174 WeakPolarHBondContact O-CG 3.47Å; K170-K174 PolarHBondContact O-N 3.21Å |
| 171 | D | 93.6 | Very high | 92 | Very high | 71 Ų | 71 | 97.7 Ų | 97.7 | 38% | 0.38 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -69 | -40.6 | -179.3 | -66.1 | -22.4 | 0 | 0 | 0 | 111.5 | Q167 D168 T169 M173 K174 E175 | Q167-D171 PolarHBondContact NE2-OD1 3.12Å; Q167-D171 PolarHBondContact NE2-OD2 3.34Å; Q167-D171 PolarHBondContact O-N 2.88Å; D168-D171 PolarHBondContact O-N 3.29Å; T169-D171 VanDerWaalsContact C-N 3.31Å; T169-D171 PolarHBondContact O-N 2.97Å; D171-M173 VanDerWaalsContact C-N 3.32Å; D171-M173 PolarHBondContact O-N 2.97Å; D171-K174 PolarHBondContact O-N 3.41Å; D171-E175 WeakPolarHBondContact O-CB 3.38Å; D171-E175 PolarHBondContact O-N 3.01Å |
| 172 | I | 92.1 | Very high | 91.2 | Very high | 108 Ų | 108 | 98.1 Ų | 98.1 | 55% | 0.554 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -59.2 | -43.4 | 172.1 | -69.4 | 163.7 | 0 | 0 | 0 | 111.1 | D168 T169 K176 | D168-I172 WeakPolarHBondContact O-CB 3.3Å; D168-I172 WeakPolarHBondContact O-CD1 3.27Å; D168-I172 WeakPolarHBondContact O-CG1 3.45Å; D168-I172 PolarHBondContact O-N 3.43Å; T169-I172 PolarHBondContact O-N 3.03Å; I172-K176 VanDerWaalsContact O-CB 3.28Å; I172-K176 WeakPolarHBondContact O-CB 3.33Å; I172-K176 PolarHBondContact O-N 3.41Å |
| 173 | M | 87.6 | Confident | 90.2 | Very high | 45 Ų | 45 | 100.8 Ų | 100.8 | 22% | 0.222 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -64.7 | -43.6 | 178.2 | -73 | 177.1 | 64.6 | 0 | 0 | 112.1 | T169 K170 D171 K176 R177 I460 C464 | T169-M173 HydrophobicContact CG2-SD 4.28Å; T169-M173 WeakPolarHBondContact O-CG 3.47Å; T169-M173 PolarHBondContact O-N 3.39Å; K170-M173 PolarHBondContact O-N 3.32Å; D171-M173 VanDerWaalsContact C-N 3.32Å; D171-M173 PolarHBondContact O-N 2.97Å; M173-K176 PolarHBondContact O-N 2.91Å; M173-R177 WeakPolarHBondContact O-CG 3.33Å; M173-R177 PolarHBondContact O-N 3.26Å; M173-I460 HydrophobicContact CE-CG2 4.43Å; M173-I460 HydrophobicContact SD-CG2 3.83Å; M173-C464 HydrophobicContact CE-CB 4.18Å |
| 174 | K | 93.9 | Very high | 89 | Confident | 134 Ų | 134 | 102.3 Ų | 102.3 | 58% | 0.583 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -63.2 | -46.3 | 177 | -74.4 | 176 | -178.9 | 178.1 | 0 | 111.7 | K170 D171 K176 R177 K178 | K170-K174 WeakPolarHBondContact O-CG 3.47Å; K170-K174 PolarHBondContact O-N 3.21Å; D171-K174 PolarHBondContact O-N 3.41Å; K174-K176 VanDerWaalsContact C-N 3.33Å; K174-K176 PolarHBondContact O-N 3.45Å; K174-R177 PolarHBondContact O-N 3.2Å; K174-K178 WeakPolarHBondContact O-CB 3.3Å; K174-K178 PolarHBondContact O-N 3.31Å |
| 175 | E | 91.4 | Very high | 87.6 | Confident | 105 Ų | 105 | 102.1 Ų | 102.1 | 49% | 0.491 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -62.8 | -41.3 | 178.3 | -165.2 | 59.8 | -142.7 | 0 | 0 | 111.1 | D171 R177 K178 H179 | D171-E175 WeakPolarHBondContact O-CB 3.38Å; D171-E175 PolarHBondContact O-N 3.01Å; E175-R177 VanDerWaalsContact C-N 3.35Å; E175-R177 PolarHBondContact O-N 2.98Å; E175-K178 PolarHBondContact O-N 3.15Å; E175-H179 WeakPolarHBondContact O-CB 3.34Å; E175-H179 PolarHBondContact O-N 2.86Å |
| 176 | K | 91.1 | Very high | 86.1 | Confident | 134 Ų | 134 | 107.1 Ų | 107.1 | 58% | 0.583 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -63.1 | -37.3 | 175.5 | -173.8 | 177.2 | 178.1 | 179.3 | 0 | 112.9 | I172 M173 K174 R180 | I172-K176 VanDerWaalsContact O-CB 3.28Å; I172-K176 WeakPolarHBondContact O-CB 3.33Å; I172-K176 PolarHBondContact O-N 3.41Å; M173-K176 PolarHBondContact O-N 2.91Å; K174-K176 VanDerWaalsContact C-N 3.33Å; K174-K176 PolarHBondContact O-N 3.45Å; K176-R180 WeakPolarHBondContact O-CG 3.27Å; K176-R180 PolarHBondContact O-N 3.25Å; K176-R180 VanDerWaalsContact O-N 3.15Å |
| 177 | R | 89.4 | Confident | 84.6 | Confident | 118 Ų | 118 | 108.1 Ų | 108.1 | 45% | 0.445 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -68.1 | -44.5 | 174.1 | -74.7 | -180 | -178.2 | -163.4 | -10.7 | 111.1 | M173 K174 E175 R180 R181 E468 | M173-R177 WeakPolarHBondContact O-CG 3.33Å; M173-R177 PolarHBondContact O-N 3.26Å; K174-R177 PolarHBondContact O-N 3.2Å; E175-R177 VanDerWaalsContact C-N 3.35Å; E175-R177 PolarHBondContact O-N 2.98Å; R177-R180 PolarHBondContact O-N 2.87Å; R177-R181 PolarHBondContact O-N 2.98Å; R177-E468 IonicContact CZ-OE1 2.71Å; R177-E468 IonicContact CZ-OE2 2.81Å; R177-E468 VanDerWaalsContact CZ-OE2 3.27Å; R177-E468 IonicContact NH1-OE1 3.83Å; R177-E468 PolarHBondContact NH1-OE1 3.38Å; R177-E468 IonicContact NH1-OE2 3.95Å; R177-E468 PolarHBondContact NH1-OE2 3.27Å; R177-E468 IonicContact NH2-OE1 3.3Å; R177-E468 PolarHBondContact NH2-OE1 3.41Å; R177-E468 IonicContact NH2-OE2 3Å; R177-E468 PolarHBondContact NH2-OE2 3.42Å |
| 178 | K | 91 | Very high | 82.9 | Confident | 104 Ų | 104 | 108 Ų | 108 | 45% | 0.452 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.1 | -50.4 | 176.4 | -177 | -175.7 | 167 | -162.6 | 0 | 111.6 | K174 E175 R180 R181 E182 | K174-K178 WeakPolarHBondContact O-CB 3.3Å; K174-K178 PolarHBondContact O-N 3.31Å; E175-K178 PolarHBondContact O-N 3.15Å; K178-R180 VanDerWaalsContact C-N 3.29Å; K178-R180 PolarHBondContact O-N 2.86Å; K178-R181 PolarHBondContact O-N 3.3Å; K178-E182 WeakPolarHBondContact CE-OE1 2.96Å; K178-E182 HydrophobicContact CG-CG 4.46Å; K178-E182 IonicContact NZ-OE1 3.43Å; K178-E182 WeakPolarHBondContact O-CG 3.24Å; K178-E182 PolarHBondContact O-N 2.84Å |
| 179 | H | 83.7 | Confident | 81.3 | Confident | 116 Ų | 116 | 110.2 Ų | 110.2 | 54% | 0.537 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.1 | -33.8 | 177.4 | -172.3 | -84.4 | 0 | 0 | 0 | 112.7 | E175 K183 | E175-H179 WeakPolarHBondContact O-CB 3.34Å; E175-H179 PolarHBondContact O-N 2.86Å; H179-K183 WeakPolarHBondContact O-CB 3.5Å; H179-K183 PolarHBondContact O-N 3.15Å |
| 180 | R | 85.7 | Confident | 79.5 | Confident | 178 Ų | 178 | 120.6 Ų | 120.6 | 67% | 0.672 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -66.4 | -39.4 | 172.3 | -82.3 | 178.9 | 175 | -107.8 | -0.7 | 112.6 | K176 R177 K178 K184 | K176-R180 WeakPolarHBondContact O-CG 3.27Å; K176-R180 PolarHBondContact O-N 3.25Å; K176-R180 VanDerWaalsContact O-N 3.15Å; R177-R180 PolarHBondContact O-N 2.87Å; K178-R180 VanDerWaalsContact C-N 3.29Å; K178-R180 PolarHBondContact O-N 2.86Å; R180-K184 WeakPolarHBondContact O-CB 3.43Å; R180-K184 PolarHBondContact O-N 3.05Å |
| 181 | R | 82.9 | Confident | 77.8 | Confident | 179 Ų | 179 | 120.6 Ų | 120.6 | 68% | 0.675 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -69.8 | -47.5 | 177.5 | -175.1 | 175.5 | 176.9 | -170.6 | 2.6 | 111.4 | R177 K178 K183 K184 D185 | R177-R181 PolarHBondContact O-N 2.98Å; K178-R181 PolarHBondContact O-N 3.3Å; R181-K183 VanDerWaalsContact C-N 3.29Å; R181-K183 PolarHBondContact O-N 2.98Å; R181-K184 CarbonylContact O-C 3.59Å; R181-K184 WeakPolarHBondContact O-CA 3.23Å; R181-K184 WeakPolarHBondContact O-CB 3.46Å; R181-K184 PolarHBondContact O-N 3.45Å; R181-D185 IonicContact NE-OD2 3.56Å; R181-D185 PolarHBondContact O-N 3.45Å |
| 182 | E | 79.3 | Confident | 76.2 | Confident | 96 Ų | 96 | 122.6 Ų | 122.6 | 45% | 0.449 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -59.7 | -39.7 | 175.4 | -70.7 | 174.5 | 170.4 | 0 | 0 | 111.6 | K178 K184 D185 N186 | K178-E182 WeakPolarHBondContact CE-OE1 2.96Å; K178-E182 HydrophobicContact CG-CG 4.46Å; K178-E182 IonicContact NZ-OE1 3.43Å; K178-E182 WeakPolarHBondContact O-CG 3.24Å; K178-E182 PolarHBondContact O-N 2.84Å; E182-K184 VanDerWaalsContact C-N 3.32Å; E182-K184 PolarHBondContact O-N 3.3Å; E182-D185 PolarHBondContact O-N 3.34Å; E182-N186 WeakPolarHBondContact O-CB 3.47Å; E182-N186 PolarHBondContact O-N 2.94Å |
| 183 | K | 75.1 | Confident | 74.7 | Confident | 151 Ų | 151 | 125.2 Ų | 125.2 | 66% | 0.657 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -66.6 | -30.6 | 173.1 | -172.7 | 171.5 | -179.6 | 173.3 | 0 | 113.2 | H179 R181 V187 | H179-K183 WeakPolarHBondContact O-CB 3.5Å; H179-K183 PolarHBondContact O-N 3.15Å; R181-K183 VanDerWaalsContact C-N 3.29Å; R181-K183 PolarHBondContact O-N 2.98Å; K183-V187 WeakPolarHBondContact O-CG2 3.48Å |
| 184 | K | 71.6 | Confident | 73.5 | Confident | 163 Ų | 163 | 128.6 Ų | 128.6 | 71% | 0.709 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -75.3 | -41.6 | 175.6 | -174.9 | 179.1 | 175.6 | -175.8 | 0 | 111.2 | R180 R181 E182 V187 | R180-K184 WeakPolarHBondContact O-CB 3.43Å; R180-K184 PolarHBondContact O-N 3.05Å; R181-K184 CarbonylContact O-C 3.59Å; R181-K184 WeakPolarHBondContact O-CA 3.23Å; R181-K184 WeakPolarHBondContact O-CB 3.46Å; R181-K184 PolarHBondContact O-N 3.45Å; E182-K184 VanDerWaalsContact C-N 3.32Å; E182-K184 PolarHBondContact O-N 3.3Å; K184-V187 PolarHBondContact O-N 2.96Å |
| 185 | D | 66.3 | Low | 72 | Confident | 110 Ų | 110 | 133.7 Ų | 133.7 | 59% | 0.588 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -73.3 | -28.3 | -179.1 | -66.2 | -18.7 | 0 | 0 | 0 | 111.9 | R181 E182 V187 | R181-D185 IonicContact NE-OD2 3.56Å; R181-D185 PolarHBondContact O-N 3.45Å; E182-D185 PolarHBondContact O-N 3.34Å; D185-V187 VanDerWaalsContact C-N 3.29Å; D185-V187 PolarHBondContact O-N 3.22Å |
| 186 | N | 61.9 | Low | 70.7 | Confident | 144 Ų | 144 | 137.9 Ų | 137.9 | 77% | 0.77 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.8 | 0.7 | 174.9 | -150.5 | -9.5 | 0 | 0 | 0 | 113.5 | E182 N188 | E182-N186 WeakPolarHBondContact O-CB 3.47Å; E182-N186 PolarHBondContact O-N 2.94Å; N186-N188 PolarHBondContact O-N 3.46Å |
| 187 | V | 62.5 | Low | 69 | Low | 71 Ų | 71 | 138.7 Ų | 138.7 | 43% | 0.43 | 65% | 0.645 | S | S | . | * | S | Bend | trans | -83.2 | 91.6 | 165.7 | 173.8 | 0 | 0 | 0 | 0 | 107.7 | K183 K184 D185 P189 L192 | K183-V187 WeakPolarHBondContact O-CG2 3.48Å; K184-V187 PolarHBondContact O-N 2.96Å; D185-V187 VanDerWaalsContact C-N 3.29Å; D185-V187 PolarHBondContact O-N 3.22Å; V187-P189 VanDerWaalsContact O-CD 3.22Å; V187-P189 WeakPolarHBondContact O-CD 3.45Å; V187-P189 VanDerWaalsContact O-N 3.13Å; V187-L192 HydrophobicContact CG1-CD1 4.09Å; V187-L192 HydrophobicContact CG1-CD2 3.95Å; V187-L192 HydrophobicContact CG1-CG 4.15Å |
| 188 | N | 61.1 | Low | 67.7 | Low | 82 Ų | 82 | 141.1 Ų | 141.1 | 44% | 0.439 | 66% | 0.658 | S | S | . | * | trans | -55.9 | 115.9 | 175 | -171.5 | 22.6 | 0 | 0 | 0 | 110.1 | N186 R190 T191 | N186-N188 PolarHBondContact O-N 3.46Å; N188-R190 PolarHBondContact O-N 3.05Å; N188-T191 PolarHBondContact O-N 2.91Å; N188-T191 VanDerWaalsContact O-N 3.11Å; N188-T191 PolarHBondContact O-OG1 3.18Å; N188-T191 VanDerWaalsContact O-OG1 3.06Å | ||
| 189 | P | 59.6 | Low | 66.4 | Low | 102 Ų | 102 | 139.6 Ų | 139.6 | 66% | 0.662 | 66% | 0.658 | S | S | * | * | G | 310 helix | trans | -60.1 | -21.3 | -178.2 | -22.5 | 32.3 | 0 | 0 | 0 | 113.1 | V187 T191 | V187-P189 VanDerWaalsContact O-CD 3.22Å; V187-P189 WeakPolarHBondContact O-CD 3.45Å; V187-P189 VanDerWaalsContact O-N 3.13Å; P189-T191 VanDerWaalsContact C-N 3.33Å; P189-T191 PolarHBondContact O-N 3.41Å |
| 190 | R | 57.3 | Low | 65.7 | Low | 228 Ų | 228 | 143.1 Ų | 143.1 | 86% | 0.86 | 67% | 0.667 | S | S | * | * | G | 310 helix | trans | -77.5 | -10.9 | -179.3 | -59.2 | -175.2 | 91.7 | 107.1 | -2.3 | 114.4 | N188 | N188-R190 PolarHBondContact O-N 3.05Š|
| 191 | T | 56.9 | Low | 65 | Low | 93 Ų | 93 | 141.5 Ų | 141.5 | 57% | 0.571 | 66% | 0.664 | S | S | * | * | G | 310 helix | trans | -104.9 | -2.9 | 175.3 | 53 | 0 | 0 | 0 | 0 | 113.5 | N188 P189 H193 | N188-T191 PolarHBondContact O-N 2.91Å; N188-T191 VanDerWaalsContact O-N 3.11Å; N188-T191 PolarHBondContact O-OG1 3.18Å; N188-T191 VanDerWaalsContact O-OG1 3.06Å; P189-T191 VanDerWaalsContact C-N 3.33Å; P189-T191 PolarHBondContact O-N 3.41Å; T191-H193 VanDerWaalsContact C-N 3.26Å; T191-H193 PolarHBondContact O-N 3.15Å; T191-H193 PolarHBondContact O-ND1 3.4Å |
| 192 | L | 59.2 | Low | 64.2 | Low | 113 Ų | 113 | 137.1 Ų | 137.1 | 59% | 0.592 | 65% | 0.654 | S | S | * | * | trans | -72.5 | 82.3 | 171.5 | -65.8 | 170.7 | 0 | 0 | 0 | 109.4 | V187 P194 | V187-L192 HydrophobicContact CG1-CD1 4.09Å; V187-L192 HydrophobicContact CG1-CD2 3.95Å; V187-L192 HydrophobicContact CG1-CG 4.15Å; L192-P194 WeakPolarHBondContact O-CD 3.37Å | ||
| 193 | H | 60.6 | Low | 63.7 | Low | 163 Ų | 163 | 138.1 Ų | 138.1 | 76% | 0.755 | 66% | 0.659 | S | S | * | * | trans | -58.4 | 123.7 | 160.5 | -68.3 | 75.7 | 0 | 0 | 0 | 106.8 | T191 R195 | T191-H193 VanDerWaalsContact C-N 3.26Å; T191-H193 PolarHBondContact O-N 3.15Å; T191-H193 PolarHBondContact O-ND1 3.4Å; H193-R195 PolarHBondContact O-N 3.34Å | ||
| 194 | P | 62.7 | Low | 63.4 | Low | 116 Ų | 116 | 138.8 Ų | 138.8 | 75% | 0.753 | 66% | 0.658 | S | S | * | * | trans | -49.3 | 123.6 | 173.1 | -24.8 | 32.5 | 0 | 0 | 0 | 108 | L192 K196 | L192-P194 WeakPolarHBondContact O-CD 3.37Å; P194-K196 PolarHBondContact O-N 3.41Å | ||
| 195 | R | 62.8 | Low | 63.3 | Low | 241 Ų | 241 | 136 Ų | 136 | 91% | 0.909 | 65% | 0.647 | S | S | * | * | trans | -57.6 | 107.5 | 171.3 | -83.5 | -177.4 | 174.9 | -179 | -1.3 | 105.7 | H193 I197 | H193-R195 PolarHBondContact O-N 3.34Å; R195-I197 PolarHBondContact O-N 3.03Å | ||
| 196 | K | 63.5 | Low | 63.5 | Low | 194 Ų | 194 | 136.5 Ų | 136.5 | 84% | 0.843 | 64% | 0.641 | S | S | * | * | trans | -49.3 | 120.6 | 172.9 | -65.5 | -170.3 | -179.4 | -172.8 | 0 | 106.4 | P194 K198 | P194-K196 PolarHBondContact O-N 3.41Å; K196-K198 VanDerWaalsContact C-N 3.35Å; K196-K198 PolarHBondContact O-N 2.76Å | ||
| 197 | I | 56.8 | Low | 63.7 | Low | 151 Ų | 151 | 133.1 Ų | 133.1 | 77% | 0.774 | 62% | 0.622 | S | S | * | * | trans | -59.2 | 104.2 | 176.1 | -65.3 | 165.9 | 0 | 0 | 0 | 105.5 | R195 T199 | R195-I197 PolarHBondContact O-N 3.03Å; I197-T199 HydrophobicContact CG2-CG2 4.34Å; I197-T199 PolarHBondContact O-N 3.12Å | ||
| 198 | K | 61.7 | Low | 64.1 | Low | 168 Ų | 168 | 138 Ų | 138 | 73% | 0.73 | 64% | 0.638 | S | S | * | * | trans | -70.3 | 100.9 | 170 | -82.3 | 179.3 | 168.9 | 179.4 | 0 | 105.9 | K196 | K196-K198 VanDerWaalsContact C-N 3.35Å; K196-K198 PolarHBondContact O-N 2.76Å | ||
| 199 | T | 63.9 | Low | 64.3 | Low | 72 Ų | 72 | 141 Ų | 141 | 44% | 0.442 | 65% | 0.651 | S | S | . | * | trans | -67.8 | 143.5 | 169.8 | 61.9 | 0 | 0 | 0 | 0 | 108.1 | I197 K201 D202 | I197-T199 HydrophobicContact CG2-CG2 4.34Å; I197-T199 PolarHBondContact O-N 3.12Å; T199-K201 PolarHBondContact O-N 2.98Å; T199-D202 PolarHBondContact O-N 3.38Å | ||
| 200 | R | 67.5 | Low | 64.3 | Low | 190 Ų | 190 | 137 Ų | 137 | 72% | 0.717 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -52 | -30.4 | 177.9 | -153.3 | 179 | -167.8 | 170.4 | 2.9 | 111.5 | D202 E203 W204 | R200-D202 PolarHBondContact O-N 2.93Å; R200-E203 WeakPolarHBondContact O-CB 3.41Å; R200-E203 PolarHBondContact O-N 3.35Å; R200-W204 PolarHBondContact O-N 2.92Å; R200-W204 VanDerWaalsContact O-N 3.09Å |
| 201 | K | 71.6 | Confident | 64.2 | Low | 144 Ų | 144 | 133 Ų | 133 | 63% | 0.626 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -57.6 | -44.3 | 177 | -172.2 | -177.3 | 173.9 | -171.8 | 0 | 113.3 | T199 E203 W204 E205 | T199-K201 PolarHBondContact O-N 2.98Å; K201-E203 PolarHBondContact O-N 3.4Å; K201-W204 PolarHBondContact O-N 3.45Å; K201-E205 VanDerWaalsContact O-CB 3.31Å; K201-E205 WeakPolarHBondContact O-CB 3.5Å; K201-E205 PolarHBondContact O-N 2.95Å |
| 202 | D | 67.3 | Low | 64.1 | Low | 87 Ų | 87 | 135.8 Ų | 135.8 | 47% | 0.465 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -64 | -33 | 178.7 | -79.9 | -0.3 | 0 | 0 | 0 | 111.9 | T199 R200 R206 | T199-D202 PolarHBondContact O-N 3.38Å; R200-D202 PolarHBondContact O-N 2.93Å; D202-R206 VanDerWaalsContact O-CB 3.27Å; D202-R206 WeakPolarHBondContact O-CB 3.44Å; D202-R206 PolarHBondContact O-N 3.19Å; D202-R206 VanDerWaalsContact O-N 3.09Å |
| 203 | E | 67.3 | Low | 63.7 | Low | 117 Ų | 117 | 137.7 Ų | 137.7 | 55% | 0.547 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -71.5 | -43.7 | 177.6 | -163.2 | 172.4 | -142.5 | 0 | 0 | 111.1 | R200 K201 R206 L207 | R200-E203 WeakPolarHBondContact O-CB 3.41Å; R200-E203 PolarHBondContact O-N 3.35Å; K201-E203 PolarHBondContact O-N 3.4Å; E203-R206 PolarHBondContact O-N 3.06Å; E203-L207 HydrophobicContact CG-CD1 4.46Å; E203-L207 WeakPolarHBondContact O-CD1 3.3Å; E203-L207 WeakPolarHBondContact O-CG 3.45Å; E203-L207 PolarHBondContact O-N 3.03Å |
| 204 | W | 68.3 | Low | 63.4 | Low | 166 Ų | 166 | 132.2 Ų | 132.2 | 63% | 0.629 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -65.6 | -38.1 | 173.8 | -75.6 | 105.5 | 0 | 0 | 0 | 113 | R200 K201 R206 L207 K208 | R200-W204 PolarHBondContact O-N 2.92Å; R200-W204 VanDerWaalsContact O-N 3.09Å; K201-W204 PolarHBondContact O-N 3.45Å; W204-R206 VanDerWaalsContact C-N 3.33Å; W204-L207 PolarHBondContact O-N 3.37Å; W204-K208 PolarHBondContact O-N 2.99Å |
| 205 | E | 70.7 | Confident | 62.9 | Low | 104 Ų | 104 | 132.5 Ų | 132.5 | 49% | 0.486 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -70.8 | -32.1 | 179.3 | -162.1 | 163.9 | -130.3 | 0 | 0 | 111.7 | K201 K208 | K201-E205 VanDerWaalsContact O-CB 3.31Å; K201-E205 WeakPolarHBondContact O-CB 3.5Å; K201-E205 PolarHBondContact O-N 2.95Å; E205-K208 WeakPolarHBondContact O-CB 3.29Å; E205-K208 PolarHBondContact O-N 2.88Å |
| 206 | R | 69.9 | Low | 62.1 | Low | 120 Ų | 120 | 126.4 Ų | 126.4 | 45% | 0.453 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -74.4 | -32 | 173.2 | -157.1 | 162.3 | 58.5 | 142.1 | 10.7 | 112.8 | D202 E203 W204 V214 | D202-R206 VanDerWaalsContact O-CB 3.27Å; D202-R206 WeakPolarHBondContact O-CB 3.44Å; D202-R206 PolarHBondContact O-N 3.19Å; D202-R206 VanDerWaalsContact O-N 3.09Å; E203-R206 PolarHBondContact O-N 3.06Å; W204-R206 VanDerWaalsContact C-N 3.33Å; R206-V214 HydrophobicContact CG-CG2 4.35Å |
| 207 | L | 65.6 | Low | 61.2 | Low | 74 Ų | 74 | 127.1 Ų | 127.1 | 39% | 0.387 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -72.9 | -27.1 | 171.1 | -74 | 161.3 | 0 | 0 | 0 | 112.6 | E203 W204 M209 G210 | E203-L207 HydrophobicContact CG-CD1 4.46Å; E203-L207 WeakPolarHBondContact O-CD1 3.3Å; E203-L207 WeakPolarHBondContact O-CG 3.45Å; E203-L207 PolarHBondContact O-N 3.03Å; W204-L207 PolarHBondContact O-N 3.37Å; L207-M209 PolarHBondContact O-N 2.87Å; L207-G210 PolarHBondContact O-N 3.29Å |
| 208 | K | 71.4 | Confident | 60.3 | Low | 173 Ų | 173 | 126.9 Ų | 126.9 | 75% | 0.752 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -64.5 | -26.8 | 174.1 | -178.1 | -176.6 | 174.5 | -173.3 | 0 | 112.9 | W204 E205 G210 | W204-K208 PolarHBondContact O-N 2.99Å; E205-K208 WeakPolarHBondContact O-CB 3.29Å; E205-K208 PolarHBondContact O-N 2.88Å; K208-G210 VanDerWaalsContact C-N 3.34Å |
| 209 | M | 66.4 | Low | 59.1 | Low | 145 Ų | 145 | 127.7 Ų | 127.7 | 71% | 0.714 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | 1.4 | -179.8 | -63.9 | -65.6 | -71.7 | 0 | 0 | 114 | L207 | L207-M209 PolarHBondContact O-N 2.87Š|
| 210 | G | 58.8 | Low | 57.6 | Low | 17 Ų | 17 | 133.4 Ų | 133.4 | 18% | 0.175 | 63% | 0.627 | C | S | . | * | trans | 106.3 | 136.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | L207 K208 E212 F213 | L207-G210 PolarHBondContact O-N 3.29Å; K208-G210 VanDerWaalsContact C-N 3.34Å; G210-E212 PolarHBondContact O-N 3.43Å; G210-F213 PolarHBondContact O-N 3.34Å | ||
| 211 | Q | 54.3 | Low | 55.8 | Low | 146 Ų | 146 | 132.3 Ų | 132.3 | 68% | 0.682 | 64% | 0.635 | S | S | * | * | G | 310 helix | trans | -65.2 | -28.8 | -176.2 | -171.4 | 102.5 | 9.5 | 0 | 0 | 111.9 | F213 V214 | Q211-F213 PolarHBondContact O-N 3.23Å; Q211-V214 PolarHBondContact O-N 3.39Å |
| 212 | E | 56.1 | Low | 53.8 | Low | 151 Ų | 151 | 131.1 Ų | 131.1 | 71% | 0.706 | 65% | 0.645 | S | S | * | * | G | 310 helix | trans | -65.8 | -12.6 | 179.3 | 57.1 | -83.8 | 174.6 | 0 | 0 | 115.3 | G210 | G210-E212 PolarHBondContact O-N 3.43Š|
| 213 | F | 51.3 | Low | 52.1 | Low | 153 Ų | 153 | 132.1 Ų | 132.1 | 67% | 0.671 | 66% | 0.659 | S | S | * | * | G | 310 helix | trans | -101.5 | 4.2 | 179.1 | -65.2 | -78.9 | 0 | 0 | 0 | 114.3 | G210 Q211 V215 | G210-F213 PolarHBondContact O-N 3.34Å; Q211-F213 PolarHBondContact O-N 3.23Å; F213-V215 PolarHBondContact O-N 3.3Å |
| 214 | V | 54.3 | Low | 50.7 | Low | 47 Ų | 47 | 134.1 Ų | 134.1 | 29% | 0.285 | 67% | 0.673 | S | S | . | * | trans | -87.7 | 91.2 | 176.1 | -177.2 | 0 | 0 | 0 | 0 | 110 | R206 Q211 P216 | R206-V214 HydrophobicContact CG-CG2 4.35Å; Q211-V214 PolarHBondContact O-N 3.39Å; V214-P216 VanDerWaalsContact O-CD 3.28Å; V214-P216 WeakPolarHBondContact O-CD 3.44Å | ||
| 215 | V | 51.6 | Low | 49 | Very low | 122 Ų | 122 | 133 Ų | 133 | 74% | 0.739 | 68% | 0.684 | S | S | * | * | trans | -63.6 | 120.9 | 172.7 | -178.3 | 0 | 0 | 0 | 0 | 109.8 | F213 K217 | F213-V215 PolarHBondContact O-N 3.3Å; V215-K217 PolarHBondContact O-N 2.81Å | ||
| 216 | P | 45.3 | Very low | 47.4 | Very low | 113 Ų | 113 | 135.4 Ų | 135.4 | 73% | 0.734 | 70% | 0.7 | S | S | * | * | trans | -66.9 | 115.6 | 175.4 | -16.8 | 30.7 | 0 | 0 | 0 | 109.7 | V214 N218 | V214-P216 VanDerWaalsContact O-CD 3.28Å; V214-P216 WeakPolarHBondContact O-CD 3.44Å; P216-N218 VanDerWaalsContact C-N 3.26Å; P216-N218 PolarHBondContact O-N 3Å | ||
| 217 | K | 44.3 | Very low | 45.5 | Very low | 209 Ų | 209 | 137.1 Ų | 137.1 | 91% | 0.909 | 72% | 0.718 | S | S | * | * | trans | -82.9 | 76.8 | 171 | -168.4 | 173.2 | -177.4 | 169.3 | 0 | 108.9 | V215 | V215-K217 PolarHBondContact O-N 2.81Š| ||
| 218 | N | 39.3 | Very low | 43.8 | Very low | 147 Ų | 147 | 136.6 Ų | 136.6 | 79% | 0.786 | 73% | 0.731 | S | S | * | * | trans | -135.6 | 73.3 | 161.2 | -165.6 | 45.2 | 0 | 0 | 0 | 109.1 | P216 | P216-N218 VanDerWaalsContact C-N 3.26Å; P216-N218 PolarHBondContact O-N 3Å | ||
| 219 | E | 35.3 | Very low | 41.7 | Very low | 185 Ų | 185 | 133.5 Ų | 133.5 | 86% | 0.864 | 73% | 0.73 | S | S | * | * | trans | -168.9 | 110.5 | 160.8 | -112.2 | 172.4 | -158 | 0 | 0 | 109.5 | ||||
| 220 | K | 33.7 | Very low | 40 | Very low | 192 Ų | 192 | 134.5 Ų | 134.5 | 84% | 0.835 | 74% | 0.737 | S | S | * | * | trans | -148.6 | 99.6 | 148.6 | -95.7 | -164.4 | 176.4 | -171.5 | 0 | 106.5 | ||||
| 221 | N | 29.3 | Very low | 38.5 | Very low | 166 Ų | 166 | 137.4 Ų | 137.4 | 89% | 0.888 | 77% | 0.767 | S | S | * | * | S | Bend | -166.3 | 73.7 | 122 | -97.3 | 23 | 0 | 0 | 0 | 109.1 | |||
| 222 | S | 30.2 | Very low | 37.4 | Very low | 120 Ų | 120 | 136.8 Ų | 136.8 | 84% | 0.839 | 78% | 0.778 | S | S | * | * | trans | -162.5 | 107.5 | 146.7 | -168.7 | 0 | 0 | 0 | 0 | 108 | ||||
| 223 | S | 31.9 | Very low | 36 | Very low | 108 Ų | 108 | 133.3 Ų | 133.3 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | trans | -163.6 | 69.7 | 158.5 | 67 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 224 | D | 36.3 | Very low | 34.9 | Very low | 159 Ų | 159 | 135.7 Ų | 135.7 | 85% | 0.85 | 80% | 0.796 | S | S | * | * | trans | -87.4 | 115 | 139.2 | -78.7 | -44.4 | 0 | 0 | 0 | 105.5 | ||||
| 225 | V | 33.5 | Very low | 33.7 | Very low | 142 Ų | 142 | 136.9 Ų | 136.9 | 86% | 0.861 | 82% | 0.818 | S | S | * | * | 176.8 | 126.3 | 122.2 | 173 | 0 | 0 | 0 | 0 | 107.8 | |||||
| 226 | L | 36.6 | Very low | 32.7 | Very low | 155 Ų | 155 | 140.3 Ų | 140.3 | 81% | 0.812 | 82% | 0.823 | S | S | * | * | trans | -61.6 | 134.1 | 176.5 | -79.2 | 109.9 | 0 | 0 | 0 | 113.3 | ||||
| 227 | N | 31.2 | Very low | 31.8 | Very low | 156 Ų | 156 | 140 Ų | 140 | 83% | 0.834 | 82% | 0.816 | S | S | * | * | 48 | 117.2 | 118.8 | -156.9 | 23.5 | 0 | 0 | 0 | 119.4 | |||||
| 228 | G | 29.8 | Very low | 31.1 | Very low | 63 Ų | 63 | 134.2 Ų | 134.2 | 65% | 0.649 | 80% | 0.802 | S | S | * | * | 112.7 | 117.1 | 125.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | |||||
| 229 | S | 27.3 | Very low | 30.6 | Very low | 107 Ų | 107 | 133.8 Ų | 133.8 | 75% | 0.748 | 80% | 0.799 | S | S | * | * | trans | 87.5 | 125.6 | 132.2 | -144.4 | 0 | 0 | 0 | 0 | 120 | ||||
| 230 | I | 29.2 | Very low | 30.2 | Very low | 167 Ų | 167 | 131 Ų | 131 | 86% | 0.856 | 79% | 0.79 | S | S | * | * | trans | 60.8 | 134.8 | 149.3 | 60.9 | 166.5 | 0 | 0 | 0 | 121.3 | ||||
| 231 | G | 28.3 | Very low | 30.1 | Very low | 77 Ų | 77 | 128.2 Ų | 128.2 | 79% | 0.794 | 78% | 0.784 | S | S | * | * | trans | 125 | 108.5 | 137.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 232 | S | 30.5 | Very low | 30.3 | Very low | 133 Ų | 133 | 127.4 Ų | 127.4 | 93% | 0.93 | 78% | 0.775 | S | S | * | * | trans | -41.9 | 151.1 | 160.1 | -52.4 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 233 | G | 27.8 | Very low | 30.4 | Very low | 78 Ų | 78 | 128.3 Ų | 128.3 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | trans | 166.6 | 106.6 | 161.5 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 234 | E | 28.3 | Very low | 30.4 | Very low | 203 Ų | 203 | 127.8 Ų | 127.8 | 95% | 0.949 | 77% | 0.766 | S | S | * | * | trans | -65.4 | 159.4 | 173.9 | -57.4 | 163.9 | 164.3 | 0 | 0 | 112.4 | ||||
| 235 | G | 28.6 | Very low | 30 | Very low | 72 Ų | 72 | 126.4 Ų | 126.4 | 74% | 0.742 | 76% | 0.763 | S | S | * | * | trans | 118.5 | 107.2 | 141.2 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 236 | F | 29.6 | Very low | 29.7 | Very low | 194 Ų | 194 | 126.7 Ų | 126.7 | 85% | 0.851 | 76% | 0.76 | S | S | * | * | 66.4 | 115.5 | 119.6 | -144.3 | -107.1 | 0 | 0 | 0 | 120.7 | |||||
| 237 | N | 27.3 | Very low | 29.4 | Very low | 107 Ų | 107 | 123.9 Ų | 123.9 | 57% | 0.572 | 75% | 0.753 | S | S | * | * | trans | 62.2 | 126.1 | 131.2 | -80.7 | -43.2 | 0 | 0 | 0 | 121.6 | ||||
| 238 | S | 29.3 | Very low | 29.4 | Very low | 88 Ų | 88 | 128.1 Ų | 128.1 | 62% | 0.615 | 76% | 0.76 | S | S | * | * | 91.5 | 138.4 | 98.1 | -144 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 239 | D | 28.2 | Very low | 29.3 | Very low | 138 Ų | 138 | 134.1 Ų | 134.1 | 74% | 0.738 | 77% | 0.77 | S | S | * | * | cis | -159.8 | 174.8 | 29.5 | -96.2 | -66 | 0 | 0 | 0 | 108.1 | ||||
| 240 | D | 28.1 | Very low | 29.5 | Very low | 126 Ų | 126 | 137.5 Ų | 137.5 | 67% | 0.674 | 77% | 0.772 | S | S | * | * | 120.6 | 106.7 | 123.4 | -134.3 | 59.3 | 0 | 0 | 0 | 117.8 | |||||
| 241 | L | 31.4 | Very low | 29.5 | Very low | 133 Ų | 133 | 138.1 Ų | 138.1 | 70% | 0.696 | 77% | 0.771 | S | S | * | * | trans | 58.9 | 150.9 | 133.3 | -97.7 | 89.9 | 0 | 0 | 0 | 119.6 | ||||
| 242 | E | 33.5 | Very low | 30 | Very low | 149 Ų | 149 | 139.9 Ų | 139.9 | 70% | 0.696 | 77% | 0.768 | S | S | * | * | cis | 176.4 | 156.5 | -19.9 | -128.9 | -165.8 | 178.9 | 0 | 0 | 104.8 | ||||
| 243 | L | 32.1 | Very low | 30.7 | Very low | 140 Ų | 140 | 137 Ų | 137 | 73% | 0.733 | 76% | 0.76 | S | S | * | * | trans | 70.8 | 115.5 | 139.1 | -148.7 | 68.4 | 0 | 0 | 0 | 120.3 | ||||
| 244 | S | 32.5 | Very low | 31.3 | Very low | 97 Ų | 97 | 139 Ų | 139 | 68% | 0.678 | 76% | 0.761 | S | S | * | * | trans | 29.1 | 142.2 | 134.8 | -47.1 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 245 | T | 26.9 | Very low | 32.1 | Very low | 130 Ų | 130 | 134.8 Ų | 134.8 | 80% | 0.798 | 75% | 0.752 | S | S | * | * | 176 | 124 | 110 | -71.5 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 246 | D | 28.3 | Very low | 32.9 | Very low | 147 Ų | 147 | 137 Ų | 137 | 79% | 0.786 | 75% | 0.753 | S | S | * | * | trans | 2.1 | 144.1 | 139.9 | -109.4 | -48.3 | 0 | 0 | 0 | 120.1 | ||||
| 247 | S | 29.4 | Very low | 33.6 | Very low | 97 Ų | 97 | 133.3 Ų | 133.3 | 68% | 0.678 | 75% | 0.749 | S | S | * | * | 165.7 | 116 | 118.1 | 45.7 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 248 | Y | 31 | Very low | 34.5 | Very low | 245 Ų | 245 | 133.9 Ų | 133.9 | 96% | 0.961 | 76% | 0.758 | S | S | * | * | trans | -137.7 | 132.4 | 136.4 | -83.5 | -68.3 | 0 | 0 | 0 | 111.2 | ||||
| 249 | H | 28.6 | Very low | 35 | Very low | 189 Ų | 189 | 136 Ų | 136 | 88% | 0.875 | 77% | 0.769 | S | S | * | * | trans | -75.2 | 145.6 | -160.8 | -163.3 | -87.1 | 0 | 0 | 0 | 113.6 | ||||
| 250 | F | 31.1 | Very low | 35.6 | Very low | 177 Ų | 177 | 132.5 Ų | 132.5 | 78% | 0.776 | 77% | 0.767 | S | S | * | * | trans | -91.1 | 152.1 | -178.6 | -152.6 | -95.2 | 0 | 0 | 0 | 111.6 | ||||
| 251 | E | 29.4 | Very low | 36.2 | Very low | 180 Ų | 180 | 132.4 Ų | 132.4 | 84% | 0.841 | 77% | 0.773 | S | S | * | * | trans | -116.7 | 128.5 | 165.6 | -166.3 | -170 | 178.2 | 0 | 0 | 108.8 | ||||
| 252 | P | 38.6 | Very low | 36.3 | Very low | 114 Ų | 114 | 132.8 Ų | 132.8 | 74% | 0.74 | 78% | 0.776 | S | S | * | * | trans | -99.9 | 122.5 | -169.7 | 34.8 | -28 | 0 | 0 | 0 | 112.8 | ||||
| 253 | G | 45.4 | Very low | 36.3 | Very low | 73 Ų | 73 | 133 Ų | 133 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | trans | 155.9 | 52.1 | 165.1 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 254 | S | 38.8 | Very low | 36.6 | Very low | 119 Ų | 119 | 133.2 Ų | 133.2 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | trans | -154.4 | 142.3 | 160.7 | -80.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 255 | P | 45.4 | Very low | 36.9 | Very low | 116 Ų | 116 | 135.5 Ų | 135.5 | 75% | 0.753 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 150 | -174.2 | 30.5 | -33.6 | 0 | 0 | 0 | 112.2 | ||
| 256 | P | 45.6 | Very low | 37.7 | Very low | 119 Ų | 119 | 134.7 Ų | 134.7 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 142.7 | 178.6 | 29 | -33 | 0 | 0 | 0 | 112 | ||
| 257 | P | 44.7 | Very low | 38.6 | Very low | 116 Ų | 116 | 133.4 Ų | 133.4 | 75% | 0.753 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 155.5 | 169.2 | 30.8 | -32.1 | 0 | 0 | 0 | 111.4 | ||
| 258 | P | 45.5 | Very low | 39.2 | Very low | 119 Ų | 119 | 134.4 Ų | 134.4 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 155.6 | -171.9 | 30.9 | -34.9 | 0 | 0 | 0 | 113 | ||
| 259 | P | 40.8 | Very low | 39.8 | Very low | 131 Ų | 131 | 128.4 Ų | 128.4 | 85% | 0.851 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 131.1 | -179.2 | 30.1 | -32.1 | 0 | 0 | 0 | 111.6 | ||
| 260 | G | 40.5 | Very low | 40.4 | Very low | 66 Ų | 66 | 125.3 Ų | 125.3 | 68% | 0.68 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 159.3 | 166.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 261 | P | 41.4 | Very low | 40.5 | Very low | 123 Ų | 123 | 124.8 Ų | 124.8 | 80% | 0.799 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 130.9 | -167.3 | 32.7 | -32.4 | 0 | 0 | 0 | 113.1 | ||
| 262 | D | 32.1 | Very low | 40.8 | Very low | 142 Ų | 142 | 123.1 Ų | 123.1 | 76% | 0.759 | 78% | 0.782 | S | S | * | * | trans | 24 | 103.5 | 144.5 | -58.7 | -53 | 0 | 0 | 0 | 119.2 | I264 | D262-I264 HydrophobicContact CB-CG1 4.43Š| ||
| 263 | D | 33.1 | Very low | 40.5 | Very low | 153 Ų | 153 | 121.5 Ų | 121.5 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | -102.9 | 89.1 | 158.2 | -142.8 | -26.4 | 0 | 0 | 0 | 107.9 | L265 | D263-L265 PolarHBondContact O-N 2.84Š| ||
| 264 | I | 38.8 | Very low | 39.8 | Very low | 145 Ų | 145 | 127.5 Ų | 127.5 | 74% | 0.744 | 78% | 0.784 | S | S | * | * | trans | -85.7 | 101.7 | 175.6 | -64.8 | 167.5 | 0 | 0 | 0 | 107.7 | D262 | D262-I264 HydrophobicContact CB-CG1 4.43Š| ||
| 265 | L | 39.7 | Very low | 39.3 | Very low | 144 Ų | 144 | 128.6 Ų | 128.6 | 75% | 0.754 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 136.5 | 165.3 | -66.1 | 173.3 | 0 | 0 | 0 | 110.1 | D263 | D263-L265 PolarHBondContact O-N 2.84Š|
| 266 | P | 43.6 | Very low | 38.5 | Very low | 114 Ų | 114 | 130.1 Ų | 130.1 | 74% | 0.74 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 148.4 | 174.9 | 30.1 | -32.3 | 0 | 0 | 0 | 112.4 | ||
| 267 | P | 47.6 | Very low | 37.7 | Very low | 119 Ų | 119 | 127.4 Ų | 127.4 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 157.4 | -176.7 | 31.5 | -35.4 | 0 | 0 | 0 | 114 | ||
| 268 | P | 42.3 | Very low | 36.9 | Very low | 118 Ų | 118 | 127.4 Ų | 127.4 | 77% | 0.766 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 154 | 176.1 | 30.8 | -34.5 | 0 | 0 | 0 | 112.8 | ||
| 269 | P | 42.9 | Very low | 36.2 | Very low | 119 Ų | 119 | 126.3 Ų | 126.3 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -78 | 155.8 | -176.6 | 32.1 | -34 | 0 | 0 | 0 | 113.3 | ||
| 270 | P | 41.4 | Very low | 35.8 | Very low | 125 Ų | 125 | 124.6 Ų | 124.6 | 81% | 0.812 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 146.9 | -169.8 | 32.3 | -34.4 | 0 | 0 | 0 | 114.8 | ||
| 271 | D | 33.7 | Very low | 35.5 | Very low | 166 Ų | 166 | 130.3 Ų | 130.3 | 89% | 0.888 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 140.2 | 171.6 | -72.6 | -49.7 | 0 | 0 | 0 | 113 | ||
| 272 | T | 34 | Very low | 35.2 | Very low | 145 Ų | 145 | 133.5 Ų | 133.5 | 89% | 0.89 | 79% | 0.789 | S | S | * | * | trans | -117.9 | 133 | 162.5 | 51.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 273 | A | 32.4 | Very low | 35.1 | Very low | 79 Ų | 79 | 137.7 Ų | 137.7 | 65% | 0.653 | 79% | 0.794 | S | S | * | * | trans | -102.7 | 167.5 | -160.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 274 | F | 30.9 | Very low | 35 | Very low | 199 Ų | 199 | 136.7 Ų | 136.7 | 87% | 0.873 | 79% | 0.793 | S | S | * | * | trans | 74.7 | 139.1 | 163 | -66.9 | -81.4 | 0 | 0 | 0 | 117.4 | ||||
| 275 | N | 28.2 | Very low | 34.6 | Very low | 142 Ų | 142 | 134.4 Ų | 134.4 | 76% | 0.759 | 79% | 0.79 | S | S | * | * | cis | -159.6 | 155.3 | 25.6 | -171.8 | 39.9 | 0 | 0 | 0 | 112.7 | ||||
| 276 | D | 29.5 | Very low | 34.5 | Very low | 149 Ų | 149 | 135.5 Ų | 135.5 | 80% | 0.797 | 79% | 0.794 | S | S | * | * | trans | -23 | 153.8 | 167.7 | -152 | 3.9 | 0 | 0 | 0 | 122.1 | ||||
| 277 | G | 27.8 | Very low | 34.1 | Very low | 62 Ų | 62 | 138.3 Ų | 138.3 | 64% | 0.639 | 80% | 0.802 | S | S | * | * | trans | 153.4 | 79.3 | 164.2 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 278 | S | 29.4 | Very low | 33.6 | Very low | 115 Ų | 115 | 138 Ų | 138 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | trans | 58.4 | 129.4 | 138.8 | 58.8 | 0 | 0 | 0 | 0 | 125 | ||||
| 279 | A | 29.4 | Very low | 33.4 | Very low | 97 Ų | 97 | 138.5 Ų | 138.5 | 80% | 0.802 | 81% | 0.805 | S | S | * | * | trans | 75.1 | 110.9 | 136.6 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 280 | A | 33.9 | Very low | 33.5 | Very low | 95 Ų | 95 | 139.1 Ų | 139.1 | 79% | 0.785 | 81% | 0.807 | S | S | * | * | trans | 24.1 | 124.3 | 139.5 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 281 | Q | 33.8 | Very low | 33.6 | Very low | 185 Ų | 185 | 141.5 Ų | 141.5 | 86% | 0.864 | 81% | 0.807 | S | S | * | * | -172.6 | 130.1 | 122.6 | -102.7 | 175.5 | 13.7 | 0 | 0 | 113.4 | |||||
| 282 | H | 33.8 | Very low | 34.5 | Very low | 190 Ų | 190 | 138.6 Ų | 138.6 | 88% | 0.88 | 80% | 0.797 | S | S | * | * | trans | -58.8 | 127.6 | 158.2 | -114 | -97.9 | 0 | 0 | 0 | 109.9 | ||||
| 283 | R | 30.4 | Very low | 35.5 | Very low | 231 Ų | 231 | 137.2 Ų | 137.2 | 87% | 0.872 | 79% | 0.791 | S | S | * | * | trans | -153.6 | 138.3 | 145.6 | -76.8 | -148.4 | 176.4 | -155.5 | -1.4 | 112.9 | ||||
| 284 | V | 31.8 | Very low | 36.3 | Very low | 131 Ų | 131 | 139.4 Ų | 139.4 | 79% | 0.794 | 80% | 0.798 | S | S | * | * | trans | -71.6 | 164.6 | 166.8 | -77.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 285 | S | 30.7 | Very low | 37.2 | Very low | 97 Ų | 97 | 134.3 Ų | 134.3 | 68% | 0.678 | 79% | 0.793 | S | S | * | * | trans | 92.9 | 121.3 | 151.8 | -105.1 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 286 | M | 37.2 | Very low | 38.6 | Very low | 168 Ų | 168 | 133 Ų | 133 | 83% | 0.828 | 79% | 0.792 | S | S | * | * | trans | 54.2 | 116.3 | 130.3 | -46.8 | -86.7 | -155.9 | 0 | 0 | 117.9 | ||||
| 287 | L | 35.7 | Very low | 39.4 | Very low | 173 Ų | 173 | 131.6 Ų | 131.6 | 91% | 0.906 | 79% | 0.791 | S | S | * | * | 159.4 | 133.6 | 128.6 | -81.4 | 160.1 | 0 | 0 | 0 | 110.4 | |||||
| 288 | S | 35.4 | Very low | 40.1 | Very low | 111 Ų | 111 | 134 Ų | 134 | 78% | 0.776 | 80% | 0.798 | S | S | * | * | trans | -62.6 | 145.3 | 175 | -56.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 289 | P | 39.8 | Very low | 40.6 | Very low | 129 Ų | 129 | 137.2 Ų | 137.2 | 84% | 0.838 | 80% | 0.803 | S | S | * | * | trans | -87.9 | 113.7 | 162.2 | -10.7 | 28.6 | 0 | 0 | 0 | 111.5 | H291 | P289-H291 PolarHBondContact O-N 2.88Š| ||
| 290 | T | 45.1 | Very low | 41.3 | Very low | 133 Ų | 133 | 137.5 Ų | 137.5 | 82% | 0.816 | 80% | 0.799 | S | S | * | * | trans | -74.8 | 95 | 161.5 | 39.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 291 | H | 42.2 | Very low | 42 | Very low | 175 Ų | 175 | 138.6 Ų | 138.6 | 81% | 0.81 | 80% | 0.798 | S | S | * | * | trans | -174.1 | 134.1 | 151.2 | -123.6 | -114.2 | 0 | 0 | 0 | 110.5 | P289 | P289-H291 PolarHBondContact O-N 2.88Š| ||
| 292 | P | 52.9 | Low | 42.7 | Very low | 105 Ų | 105 | 135 Ų | 135 | 68% | 0.682 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -74 | 149.2 | 170.8 | 30.2 | -31.2 | 0 | 0 | 0 | 110.9 | ||
| 293 | P | 54.3 | Low | 43.1 | Very low | 116 Ų | 116 | 131.8 Ų | 131.8 | 75% | 0.753 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 152.7 | 173.4 | 28.1 | -33.5 | 0 | 0 | 0 | 111.4 | ||
| 294 | P | 49.7 | Very low | 43.9 | Very low | 125 Ų | 125 | 128.3 Ų | 128.3 | 81% | 0.812 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -68 | 145.4 | -179.4 | 28 | -32.7 | 0 | 0 | 0 | 111.7 | ||
| 295 | A | 50.3 | Low | 44.3 | Very low | 91 Ų | 91 | 127.9 Ų | 127.9 | 75% | 0.752 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 146.8 | 178 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 296 | P | 56.9 | Low | 44.9 | Very low | 115 Ų | 115 | 134.6 Ų | 134.6 | 75% | 0.747 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -66 | 148.8 | 173.9 | 27.7 | -33.4 | 0 | 0 | 0 | 111.3 | S298 | P296-S298 PolarHBondContact O-N 2.87Š|
| 297 | P | 47.3 | Very low | 45.1 | Very low | 120 Ų | 120 | 132.3 Ų | 132.3 | 78% | 0.779 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 133 | -178 | 25 | -32.3 | 0 | 0 | 0 | 111.5 | M299 | P297-M299 PolarHBondContact O-N 3.34Š|
| 298 | S | 42.3 | Very low | 45.3 | Very low | 112 Ų | 112 | 131 Ų | 131 | 78% | 0.783 | 79% | 0.79 | S | S | * | * | trans | -61.4 | 114 | 172.5 | 57.9 | 0 | 0 | 0 | 0 | 110.1 | P296 S300 | P296-S298 PolarHBondContact O-N 2.87Å; S298-S300 PolarHBondContact O-N 3.44Å | ||
| 299 | M | 39.3 | Very low | 45.8 | Very low | 183 Ų | 183 | 133.6 Ų | 133.6 | 90% | 0.901 | 80% | 0.795 | S | S | * | * | trans | -79 | 107.7 | 169.7 | -65.8 | -175.4 | 78.9 | 0 | 0 | 109.1 | P297 | P297-M299 PolarHBondContact O-N 3.34Š| ||
| 300 | S | 44.1 | Very low | 46.3 | Very low | 102 Ų | 102 | 131.7 Ų | 131.7 | 71% | 0.713 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 137.7 | 161.5 | -52.5 | 0 | 0 | 0 | 0 | 109.6 | S298 | S298-S300 PolarHBondContact O-N 3.44Š|
| 301 | P | 48.8 | Very low | 46.8 | Very low | 118 Ų | 118 | 130.9 Ų | 130.9 | 77% | 0.766 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 148.8 | 175.5 | 28.4 | -30.9 | 0 | 0 | 0 | 111.3 | ||
| 302 | P | 47.9 | Very low | 47.8 | Very low | 111 Ų | 111 | 128 Ų | 128 | 72% | 0.721 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 148.9 | -178.5 | 28.1 | -33.6 | 0 | 0 | 0 | 112.5 | N304 | P302-N304 PolarHBondContact O-N 2.94Å; P302-N304 VanDerWaalsContact O-N 3.16Å |
| 303 | P | 43.9 | Very low | 48.2 | Very low | 122 Ų | 122 | 129 Ų | 129 | 79% | 0.792 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -85.9 | 88.4 | 178.3 | 34.4 | -29.2 | 0 | 0 | 0 | 109.4 | ||
| 304 | N | 46.4 | Very low | 48.5 | Very low | 158 Ų | 158 | 127.9 Ų | 127.9 | 85% | 0.845 | 79% | 0.785 | S | S | * | * | trans | 173.6 | 93.6 | 148 | -98.3 | -10.3 | 0 | 0 | 0 | 109.8 | P302 | P302-N304 PolarHBondContact O-N 2.94Å; P302-N304 VanDerWaalsContact O-N 3.16Å | ||
| 305 | S | 40.8 | Very low | 49.4 | Very low | 121 Ų | 121 | 127.3 Ų | 127.3 | 85% | 0.846 | 78% | 0.781 | S | S | * | * | trans | -147.1 | 130.3 | 160.2 | -64.1 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 306 | R | 42.7 | Very low | 50.3 | Low | 238 Ų | 238 | 128.5 Ų | 128.5 | 90% | 0.898 | 78% | 0.781 | S | S | * | * | trans | -49.9 | 154.4 | -173.6 | -78 | 170.6 | 166.6 | 179.6 | -5.1 | 113.8 | N308 | R306-N308 PolarHBondContact O-N 3.18Š| ||
| 307 | P | 41.8 | Very low | 50.8 | Low | 121 Ų | 121 | 128.6 Ų | 128.6 | 79% | 0.786 | 78% | 0.782 | S | S | * | * | trans | -60.3 | 130.8 | -178.2 | 23.5 | -32.1 | 0 | 0 | 0 | 112.2 | L309 | P307-L309 PolarHBondContact O-N 3.2Š| ||
| 308 | N | 39.1 | Very low | 51.8 | Low | 144 Ų | 144 | 128.4 Ų | 128.4 | 77% | 0.77 | 78% | 0.781 | S | S | * | * | trans | -42.9 | 110.3 | 168.5 | -165.4 | 9.4 | 0 | 0 | 0 | 111.9 | R306 | R306-N308 PolarHBondContact O-N 3.18Š| ||
| 309 | L | 45.6 | Very low | 53 | Low | 167 Ų | 167 | 128.5 Ų | 128.5 | 87% | 0.874 | 78% | 0.779 | S | S | * | * | trans | -104.2 | 98.8 | 161.3 | -71.6 | 177.1 | 0 | 0 | 0 | 107.3 | P307 | P307-L309 PolarHBondContact O-N 3.2Š| ||
| 310 | S | 51.4 | Low | 54.2 | Low | 88 Ų | 88 | 124.9 Ų | 124.9 | 62% | 0.615 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 139.2 | 168.2 | -38.2 | 0 | 0 | 0 | 0 | 109.3 | ||
| 311 | P | 55.9 | Low | 54.8 | Low | 117 Ų | 117 | 126.1 Ų | 126.1 | 76% | 0.76 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 140.8 | 166.7 | 26.9 | -31 | 0 | 0 | 0 | 108.7 | ||
| 312 | P | 62.3 | Low | 55.1 | Low | 115 Ų | 115 | 126.8 Ų | 126.8 | 75% | 0.747 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 150 | 179.7 | 26.8 | -33.2 | 0 | 0 | 0 | 110.5 | ||
| 313 | P | 62 | Low | 55.6 | Low | 125 Ų | 125 | 124.3 Ų | 124.3 | 81% | 0.812 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 141 | 175.8 | 24.9 | -31.3 | 0 | 0 | 0 | 110.3 | ||
| 314 | A | 60.6 | Low | 55.8 | Low | 92 Ų | 92 | 128.4 Ų | 128.4 | 76% | 0.76 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 141.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 315 | P | 67.8 | Low | 56 | Low | 114 Ų | 114 | 125.2 Ų | 125.2 | 74% | 0.74 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 149.1 | 178 | 26.7 | -33.3 | 0 | 0 | 0 | 111.2 | ||
| 316 | P | 70.1 | Confident | 56.9 | Low | 115 Ų | 115 | 125.1 Ų | 125.1 | 75% | 0.747 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 151.7 | 177.3 | 26.7 | -33.6 | 0 | 0 | 0 | 111.3 | ||
| 317 | P | 66.9 | Low | 57.7 | Low | 117 Ų | 117 | 119.2 Ų | 119.2 | 76% | 0.76 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -61 | 147.3 | 178.2 | 25.7 | -33.6 | 0 | 0 | 0 | 111.3 | ||
| 318 | P | 68.2 | Low | 58.7 | Low | 117 Ų | 117 | 119.1 Ų | 119.1 | 76% | 0.76 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 147.4 | 179.2 | 26.2 | -33.4 | 0 | 0 | 0 | 111.3 | ||
| 319 | P | 67.1 | Low | 59.9 | Low | 114 Ų | 114 | 117.6 Ų | 117.6 | 74% | 0.74 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 147.3 | 176.3 | 26.6 | -33.2 | 0 | 0 | 0 | 110.8 | ||
| 320 | P | 64.3 | Low | 60 | Low | 107 Ų | 107 | 115.9 Ų | 115.9 | 70% | 0.695 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 148.2 | 175.7 | 26.6 | -33.4 | 0 | 0 | 0 | 110.4 | S322 | P320-S322 PolarHBondContact O-N 3.26Š|
| 321 | P | 57.6 | Low | 59.6 | Low | 127 Ų | 127 | 118.9 Ų | 118.9 | 83% | 0.825 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 116.3 | 178.8 | 23 | -31.2 | 0 | 0 | 0 | 110.3 | G323 | P321-G323 PolarHBondContact O-N 3.03Š|
| 322 | S | 55.6 | Low | 58.9 | Low | 132 Ų | 132 | 117 Ų | 117 | 92% | 0.923 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -58.2 | 104.8 | 168.6 | -50.2 | 0 | 0 | 0 | 0 | 109 | P320 | P320-S322 PolarHBondContact O-N 3.26Š|
| 323 | G | 56.8 | Low | 57.7 | Low | 59 Ų | 59 | 120.7 Ų | 120.7 | 61% | 0.608 | 78% | 0.784 | S | S | * | * | trans | -179.3 | -5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 119.6 | P321 | P321-G323 PolarHBondContact O-N 3.03Š| ||
| 324 | F | 48.1 | Very low | 56.6 | Low | 208 Ų | 208 | 121.6 Ų | 121.6 | 91% | 0.912 | 78% | 0.782 | S | S | * | * | trans | -134.1 | 116.8 | 174.3 | -81.3 | -88.3 | 0 | 0 | 0 | 111 | ||||
| 325 | A | 51.6 | Low | 55.6 | Low | 92 Ų | 92 | 120.7 Ų | 120.7 | 76% | 0.76 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 144.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 326 | P | 59.3 | Low | 54.7 | Low | 118 Ų | 118 | 122.9 Ų | 122.9 | 77% | 0.766 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 143.9 | 171.9 | 27.1 | -32.6 | 0 | 0 | 0 | 110.2 | ||
| 327 | P | 59 | Low | 53.5 | Low | 115 Ų | 115 | 123.1 Ų | 123.1 | 75% | 0.747 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 149.1 | 174.3 | 28.3 | -33.2 | 0 | 0 | 0 | 110.4 | ||
| 328 | P | 63.5 | Low | 52.9 | Low | 119 Ų | 119 | 122.8 Ų | 122.8 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 147.5 | -178.5 | 27.5 | -33.9 | 0 | 0 | 0 | 111.7 | ||
| 329 | P | 63.5 | Low | 52.4 | Low | 112 Ų | 112 | 123 Ų | 123 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 150.9 | 176 | 29.5 | -33.9 | 0 | 0 | 0 | 111.6 | T331 | P329-T331 PolarHBondContact O-N 3.47Š|
| 330 | P | 49.5 | Very low | 52 | Low | 131 Ų | 131 | 123.4 Ų | 123.4 | 85% | 0.851 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 132.5 | 171 | 28 | -31.3 | 0 | 0 | 0 | 110.2 | G332 | P330-G332 PolarHBondContact O-N 3.24Š|
| 331 | T | 41.9 | Very low | 51.8 | Low | 151 Ų | 151 | 123.8 Ų | 123.8 | 93% | 0.926 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 123.3 | 173.2 | 34.7 | 0 | 0 | 0 | 0 | 111.6 | P329 | P329-T331 PolarHBondContact O-N 3.47Š|
| 332 | G | 41 | Very low | 51.5 | Low | 76 Ų | 76 | 122.6 Ų | 122.6 | 78% | 0.784 | 79% | 0.786 | S | S | * | * | trans | 176.2 | 70.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | P330 | P330-G332 PolarHBondContact O-N 3.24Š| ||
| 333 | F | 37 | Very low | 51.2 | Low | 194 Ų | 194 | 122.2 Ų | 122.2 | 85% | 0.851 | 78% | 0.784 | S | S | * | * | trans | -58 | 146.3 | 150.2 | -110.8 | -131 | 0 | 0 | 0 | 107.5 | ||||
| 334 | D | 39.8 | Very low | 51.1 | Low | 143 Ų | 143 | 128 Ų | 128 | 77% | 0.765 | 79% | 0.792 | S | S | * | * | cis | -165 | 143.8 | 30.4 | -101.7 | -52.1 | 0 | 0 | 0 | 107.2 | ||||
| 335 | G | 38.6 | Very low | 51.2 | Low | 73 Ų | 73 | 124 Ų | 124 | 75% | 0.753 | 79% | 0.787 | S | S | * | * | trans | 176.1 | 101.4 | 169.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 336 | I | 50 | Low | 51.5 | Low | 160 Ų | 160 | 124.8 Ų | 124.8 | 82% | 0.821 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 136.7 | 170.5 | -63 | 160.6 | 0 | 0 | 0 | 109.5 | S338 | I336-S338 PolarHBondContact O-N 3.07Š|
| 337 | P | 44.7 | Very low | 51.4 | Low | 120 Ų | 120 | 124.8 Ų | 124.8 | 78% | 0.779 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 120 | 176.1 | 29.8 | -30.8 | 0 | 0 | 0 | 110.9 | ||
| 338 | S | 53 | Low | 51.2 | Low | 111 Ų | 111 | 125.3 Ų | 125.3 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 146.3 | 168.5 | -59.3 | 0 | 0 | 0 | 0 | 111.3 | I336 | I336-S338 PolarHBondContact O-N 3.07Š|
| 339 | P | 59.1 | Low | 51 | Low | 121 Ų | 121 | 124.1 Ų | 124.1 | 79% | 0.786 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 153.5 | 178.2 | 29.5 | -34.1 | 0 | 0 | 0 | 112.3 | ||
| 340 | P | 57.9 | Low | 50.9 | Low | 122 Ų | 122 | 124.3 Ų | 124.3 | 79% | 0.792 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 144.4 | -176.3 | 29.9 | -33.9 | 0 | 0 | 0 | 112.2 | ||
| 341 | P | 59.5 | Low | 51.5 | Low | 115 Ų | 115 | 123.7 Ų | 123.7 | 75% | 0.747 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 156.4 | 175 | 30.5 | -33.3 | 0 | 0 | 0 | 112.2 | ||
| 342 | P | 52.1 | Low | 52.1 | Low | 103 Ų | 103 | 122.2 Ų | 122.2 | 67% | 0.669 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 135.6 | 179.8 | 26.6 | -32.5 | 0 | 0 | 0 | 112.6 | F344 | P342-F344 HydrophobicContact CG-CE2 4.5Å; P342-F344 PolarHBondContact O-N 3.15Å |
| 343 | S | 49.3 | Very low | 53 | Low | 124 Ų | 124 | 124.1 Ų | 124.1 | 87% | 0.867 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 119.1 | 177.9 | -49.9 | 0 | 0 | 0 | 0 | 111.8 | ||
| 344 | F | 55.5 | Low | 53.6 | Low | 180 Ų | 180 | 120.7 Ų | 120.7 | 79% | 0.789 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -98.6 | 145 | 164 | -71.1 | -83.9 | 0 | 0 | 0 | 110.1 | P342 S346 | P342-F344 HydrophobicContact CG-CE2 4.5Å; P342-F344 PolarHBondContact O-N 3.15Å; F344-S346 PolarHBondContact O-N 3.22Å |
| 345 | P | 49.1 | Very low | 54.1 | Low | 123 Ų | 123 | 122 Ų | 122 | 80% | 0.799 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 127.3 | 179.6 | 27.5 | -32 | 0 | 0 | 0 | 111.5 | ||
| 346 | S | 57.8 | Low | 54.2 | Low | 110 Ų | 110 | 126.9 Ų | 126.9 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 144.8 | 174.4 | -49.7 | 0 | 0 | 0 | 0 | 111.8 | F344 | F344-S346 PolarHBondContact O-N 3.22Š|
| 347 | P | 58.1 | Low | 54 | Low | 117 Ų | 117 | 124.5 Ų | 124.5 | 76% | 0.76 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 156.2 | 173.6 | 29.6 | -33 | 0 | 0 | 0 | 111.6 | ||
| 348 | P | 55.5 | Low | 53.8 | Low | 127 Ų | 127 | 128 Ų | 128 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 144.4 | -176.4 | 28.3 | -32.4 | 0 | 0 | 0 | 112 | ||
| 349 | A | 59 | Low | 53.7 | Low | 93 Ų | 93 | 126.6 Ų | 126.6 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 146.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 350 | P | 60.8 | Low | 53.5 | Low | 117 Ų | 117 | 126.6 Ų | 126.6 | 76% | 0.76 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 155.5 | 175.5 | 29 | -33.3 | 0 | 0 | 0 | 112.3 | ||
| 351 | P | 61.6 | Low | 53.4 | Low | 118 Ų | 118 | 126.5 Ų | 126.5 | 77% | 0.766 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -70 | 154.2 | -179.1 | 29.4 | -34.3 | 0 | 0 | 0 | 112.5 | ||
| 352 | P | 55.7 | Low | 53.2 | Low | 119 Ų | 119 | 126.6 Ų | 126.6 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 150.6 | 180 | 29.7 | -34.1 | 0 | 0 | 0 | 112.3 | ||
| 353 | P | 60 | Low | 53.4 | Low | 117 Ų | 117 | 127.1 Ų | 127.1 | 76% | 0.76 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 157.9 | 175.2 | 30.7 | -33.5 | 0 | 0 | 0 | 112.2 | ||
| 354 | P | 49.5 | Very low | 53.5 | Low | 121 Ų | 121 | 126.9 Ų | 126.9 | 79% | 0.786 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 146.8 | -178 | 29.6 | -32.7 | 0 | 0 | 0 | 113 | M356 | P354-M356 PolarHBondContact O-N 2.97Š|
| 355 | D | 49.1 | Very low | 53 | Low | 171 Ų | 171 | 126.4 Ų | 126.4 | 91% | 0.914 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -47.7 | 118.4 | 177.1 | -97.3 | -41.1 | 0 | 0 | 0 | 113 | ||
| 356 | M | 40.7 | Very low | 52.6 | Low | 176 Ų | 176 | 126.8 Ų | 126.8 | 87% | 0.867 | 80% | 0.8 | S | S | * | * | trans | -114.5 | 128.9 | 157.2 | -72.3 | -157.5 | -169.4 | 0 | 0 | 109.3 | P354 M358 | P354-M356 PolarHBondContact O-N 2.97Å; M356-M358 PolarHBondContact O-N 3.25Å | ||
| 357 | A | 46.6 | Very low | 51.7 | Low | 109 Ų | 109 | 128.2 Ų | 128.2 | 90% | 0.901 | 80% | 0.804 | S | S | * | * | trans | -47 | 126.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 358 | M | 39.3 | Very low | 51.1 | Low | 193 Ų | 193 | 126.9 Ų | 126.9 | 95% | 0.951 | 81% | 0.811 | S | S | * | * | trans | -88.4 | 115.7 | 179.8 | -148.5 | 152 | 72.5 | 0 | 0 | 110.4 | M356 | M356-M358 PolarHBondContact O-N 3.25Š| ||
| 359 | A | 51.9 | Low | 50.4 | Low | 82 Ų | 82 | 124.6 Ų | 124.6 | 68% | 0.678 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 157.2 | 164.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 360 | P | 54.6 | Low | 50.1 | Low | 122 Ų | 122 | 123.7 Ų | 123.7 | 79% | 0.792 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -74 | 155.9 | -176.8 | 30.4 | -34 | 0 | 0 | 0 | 112.9 | ||
| 361 | P | 56.4 | Low | 49.9 | Very low | 119 Ų | 119 | 123.8 Ų | 123.8 | 77% | 0.773 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 157.9 | -173.5 | 32.6 | -35 | 0 | 0 | 0 | 113.4 | ||
| 362 | P | 54.8 | Low | 49.8 | Very low | 118 Ų | 118 | 123.7 Ų | 123.7 | 77% | 0.766 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 156.6 | 177.9 | 32.5 | -34 | 0 | 0 | 0 | 113 | ||
| 363 | P | 56.8 | Low | 50.4 | Low | 114 Ų | 114 | 123.7 Ų | 123.7 | 74% | 0.74 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -79 | 157.8 | -177 | 32.1 | -34.6 | 0 | 0 | 0 | 113.5 | ||
| 364 | P | 51.5 | Low | 50.7 | Low | 119 Ų | 119 | 123.6 Ų | 123.6 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 145.3 | -179.7 | 30.9 | -32.8 | 0 | 0 | 0 | 113.1 | ||
| 365 | I | 45.1 | Very low | 51.7 | Low | 170 Ų | 170 | 123.2 Ų | 123.2 | 87% | 0.872 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -76 | 125.7 | 176.3 | -55.1 | 165.7 | 0 | 0 | 0 | 108.9 | ||
| 366 | T | 39.4 | Very low | 52.7 | Low | 131 Ų | 131 | 120.7 Ų | 120.7 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -96.9 | 122.3 | 178 | 53.5 | 0 | 0 | 0 | 0 | 111.1 | ||
| 367 | T | 39.2 | Very low | 54.2 | Low | 140 Ų | 140 | 117.8 Ų | 117.8 | 86% | 0.859 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 140.9 | 162.9 | 42.7 | 0 | 0 | 0 | 0 | 110 | ||
| 368 | G | 45 | Very low | 55.3 | Low | 88 Ų | 88 | 118 Ų | 118 | 91% | 0.907 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -62.1 | 151.2 | -162.7 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||
| 369 | G | 41 | Very low | 56.9 | Low | 80 Ų | 80 | 114.4 Ų | 114.4 | 83% | 0.825 | 78% | 0.778 | S | S | * | * | trans | 154.2 | 80.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 370 | G | 54 | Low | 57.7 | Low | 73 Ų | 73 | 115.9 Ų | 115.9 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -68 | 147.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 371 | P | 56.7 | Low | 58.3 | Low | 120 Ų | 120 | 116.3 Ų | 116.3 | 78% | 0.779 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 154 | 175.4 | 30.7 | -33.4 | 0 | 0 | 0 | 111.6 | ||
| 372 | P | 58.9 | Low | 58.7 | Low | 116 Ų | 116 | 113.7 Ų | 113.7 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 151.4 | 175.3 | 27.4 | -34.1 | 0 | 0 | 0 | 111.4 | ||
| 373 | P | 68.1 | Low | 59.3 | Low | 118 Ų | 118 | 113.9 Ų | 113.9 | 77% | 0.766 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 148.3 | -178.6 | 27.1 | -34.1 | 0 | 0 | 0 | 112 | ||
| 374 | P | 67 | Low | 59.6 | Low | 115 Ų | 115 | 114 Ų | 114 | 75% | 0.747 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 152.3 | 177.7 | 28.3 | -34.3 | 0 | 0 | 0 | 111.9 | ||
| 375 | P | 69.3 | Low | 60 | Low | 114 Ų | 114 | 113.9 Ų | 113.9 | 74% | 0.74 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -64 | 152.2 | 174.1 | 27.7 | -34 | 0 | 0 | 0 | 111.5 | ||
| 376 | P | 71.1 | Confident | 60.7 | Low | 117 Ų | 117 | 111.2 Ų | 111.2 | 76% | 0.76 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 148.3 | 179.1 | 26.6 | -33.6 | 0 | 0 | 0 | 111.7 | ||
| 377 | P | 71.8 | Confident | 61.2 | Low | 115 Ų | 115 | 110.8 Ų | 110.8 | 75% | 0.747 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 148.9 | 177.9 | 27.2 | -33.8 | 0 | 0 | 0 | 111.6 | ||
| 378 | P | 69.9 | Low | 61.5 | Low | 115 Ų | 115 | 108.9 Ų | 108.9 | 75% | 0.747 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 148.8 | 173.3 | 27.3 | -33.4 | 0 | 0 | 0 | 111 | ||
| 379 | P | 71.7 | Confident | 61.3 | Low | 116 Ų | 116 | 112.3 Ų | 112.3 | 75% | 0.753 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 148.8 | 178.2 | 26.6 | -33.4 | 0 | 0 | 0 | 111.2 | ||
| 380 | P | 70.3 | Confident | 61.4 | Low | 114 Ų | 114 | 118.8 Ų | 118.8 | 74% | 0.74 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 149.8 | 179 | 25.7 | -33.4 | 0 | 0 | 0 | 111.4 | G382 | P380-G382 PolarHBondContact O-N 3.35Š|
| 381 | P | 66.3 | Low | 60.5 | Low | 131 Ų | 131 | 121 Ų | 121 | 85% | 0.851 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -56 | 132.3 | 171.3 | -19.7 | 30.6 | 0 | 0 | 0 | 110.5 | ||
| 382 | G | 64.4 | Low | 59.8 | Low | 63 Ų | 63 | 119.5 Ų | 119.5 | 65% | 0.649 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 157.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | P380 | P380-G382 PolarHBondContact O-N 3.35Š|
| 383 | P | 67.2 | Low | 59.3 | Low | 123 Ų | 123 | 119.7 Ų | 119.7 | 80% | 0.799 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 147.6 | 178.9 | 25.7 | -33.1 | 0 | 0 | 0 | 111.4 | ||
| 384 | P | 63 | Low | 58.6 | Low | 115 Ų | 115 | 119.7 Ų | 119.7 | 75% | 0.747 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 150.1 | 175.1 | 27.1 | -33.6 | 0 | 0 | 0 | 111.1 | ||
| 385 | P | 60.6 | Low | 57.9 | Low | 118 Ų | 118 | 120 Ų | 120 | 77% | 0.766 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 148.2 | 177.4 | 26.7 | -33.6 | 0 | 0 | 0 | 111.5 | ||
| 386 | P | 59.5 | Low | 57.4 | Low | 113 Ų | 113 | 120.2 Ų | 120.2 | 73% | 0.734 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 150.1 | 178.2 | 28.2 | -34.1 | 0 | 0 | 0 | 111.5 | S388 | P386-S388 PolarHBondContact O-N 2.86Š|
| 387 | P | 51.2 | Low | 56.4 | Low | 123 Ų | 123 | 120.7 Ų | 120.7 | 80% | 0.799 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 127.3 | 176.8 | 28.1 | -31.9 | 0 | 0 | 0 | 110.2 | D389 | P387-D389 PolarHBondContact O-N 3.4Š|
| 388 | S | 44.4 | Very low | 54.8 | Low | 99 Ų | 99 | 123.1 Ų | 123.1 | 69% | 0.692 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 119.7 | 171.1 | -49.5 | 0 | 0 | 0 | 0 | 110 | P386 Y390 | P386-S388 PolarHBondContact O-N 2.86Å; S388-Y390 PolarHBondContact O-N 3.31Å |
| 389 | D | 40 | Very low | 53.1 | Low | 160 Ų | 160 | 123.6 Ų | 123.6 | 86% | 0.856 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 117.3 | 165.2 | -76.5 | -53.8 | 0 | 0 | 0 | 110.4 | P387 | P387-D389 PolarHBondContact O-N 3.4Š|
| 390 | Y | 43.2 | Very low | 51.2 | Low | 217 Ų | 217 | 122.2 Ų | 122.2 | 85% | 0.851 | 79% | 0.79 | S | S | * | * | trans | -122.7 | 112.1 | 158.6 | -81 | -76.8 | 0 | 0 | 0 | 110.1 | S388 | S388-Y390 PolarHBondContact O-N 3.31Š| ||
| 391 | S | 36.8 | Very low | 49.3 | Very low | 119 Ų | 119 | 120.8 Ų | 120.8 | 83% | 0.832 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -49.6 | 139.2 | 176.8 | -162.2 | 0 | 0 | 0 | 0 | 113.6 | ||
| 392 | A | 41.1 | Very low | 47.5 | Very low | 88 Ų | 88 | 118.1 Ų | 118.1 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -61 | 146.3 | 168.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 393 | P | 48.7 | Very low | 46 | Very low | 121 Ų | 121 | 124 Ų | 124 | 79% | 0.786 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -87.4 | 148.1 | 168.6 | 32.4 | -30 | 0 | 0 | 0 | 112.4 | ||
| 394 | P | 51.9 | Low | 44.3 | Very low | 118 Ų | 118 | 122.5 Ų | 122.5 | 77% | 0.766 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -86.4 | 165.9 | -177.5 | 35.7 | -34.5 | 0 | 0 | 0 | 113.4 | ||
| 395 | P | 53.1 | Low | 43.8 | Very low | 120 Ų | 120 | 122.9 Ų | 122.9 | 78% | 0.779 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -86.1 | 157.8 | -175.4 | 35.3 | -34.5 | 0 | 0 | 0 | 113.2 | ||
| 396 | P | 58.4 | Low | 42.4 | Very low | 120 Ų | 120 | 122.4 Ų | 122.4 | 78% | 0.779 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -91 | 160.6 | 170.2 | 34.8 | -30.7 | 0 | 0 | 0 | 113.3 | ||
| 397 | P | 49.8 | Very low | 41 | Very low | 127 Ų | 127 | 122.5 Ų | 122.5 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -95.2 | 163.7 | -160.5 | 37.6 | -34.8 | 0 | 0 | 0 | 115 | ||
| 398 | I | 38.1 | Very low | 40.3 | Very low | 166 Ų | 166 | 121 Ų | 121 | 85% | 0.851 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -96.4 | 134.8 | 172.4 | -59.8 | 168 | 0 | 0 | 0 | 109.4 | ||
| 399 | S | 35.9 | Very low | 40.5 | Very low | 125 Ų | 125 | 122 Ų | 122 | 87% | 0.874 | 81% | 0.813 | S | S | * | * | trans | -151.7 | 133.8 | 157.4 | -86.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 400 | G | 31.6 | Very low | 40.2 | Very low | 87 Ų | 87 | 124.2 Ų | 124.2 | 90% | 0.897 | 82% | 0.815 | S | S | * | * | trans | -91.8 | -177.7 | -164.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 401 | G | 29 | Very low | 40.3 | Very low | 84 Ų | 84 | 119.1 Ų | 119.1 | 87% | 0.866 | 81% | 0.809 | S | S | * | * | trans | 164.2 | 117.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 402 | G | 29 | Very low | 40.1 | Very low | 75 Ų | 75 | 122.2 Ų | 122.2 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | trans | -90.7 | 179 | -163 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 403 | L | 32.5 | Very low | 40.1 | Very low | 186 Ų | 186 | 123.2 Ų | 123.2 | 97% | 0.974 | 81% | 0.809 | S | S | * | * | trans | 162.1 | 138.9 | 130.9 | -81.8 | 169.7 | 0 | 0 | 0 | 110 | ||||
| 404 | A | 33.3 | Very low | 39.8 | Very low | 91 Ų | 91 | 121.6 Ų | 121.6 | 75% | 0.752 | 81% | 0.807 | S | S | * | * | trans | -89.1 | -163.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 405 | P | 51.6 | Low | 39.3 | Very low | 124 Ų | 124 | 122.1 Ų | 122.1 | 81% | 0.805 | 81% | 0.81 | S | S | * | * | cis | -128.1 | 175.7 | -43.2 | 25.8 | -4.9 | 0 | 0 | 0 | 112.7 | ||||
| 406 | S | 30.8 | Very low | 38.9 | Very low | 108 Ų | 108 | 123.3 Ų | 123.3 | 76% | 0.755 | 81% | 0.814 | S | S | * | * | 146.1 | 136.9 | 127.1 | -166.7 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 407 | S | 31.2 | Very low | 38.5 | Very low | 114 Ų | 114 | 122.5 Ų | 122.5 | 80% | 0.797 | 81% | 0.812 | S | S | * | * | trans | 84.6 | 115.7 | 153.9 | 71.5 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 408 | A | 36.8 | Very low | 38.9 | Very low | 92 Ų | 92 | 121.8 Ų | 121.8 | 76% | 0.76 | 80% | 0.801 | S | S | * | * | trans | -101 | -173.9 | 159 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 409 | P | 48.5 | Very low | 40.2 | Very low | 119 Ų | 119 | 116.5 Ų | 116.5 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | cis | -137.5 | 169.2 | -12.4 | 37.3 | -19.3 | 0 | 0 | 0 | 114.8 | ||||
| 410 | K | 31.9 | Very low | 41.6 | Very low | 207 Ų | 207 | 119.5 Ų | 119.5 | 90% | 0.9 | 78% | 0.779 | S | S | * | * | trans | 175.1 | 163 | 138.8 | -99.9 | -175.4 | 176.4 | 171.8 | 0 | 113.4 | ||||
| 411 | P | 45.9 | Very low | 43.6 | Very low | 110 Ų | 110 | 118.4 Ų | 118.4 | 71% | 0.714 | 76% | 0.758 | S | S | * | * | trans | -113.5 | 164.3 | -134.7 | 42 | -32.8 | 0 | 0 | 0 | 115.2 | ||||
| 412 | Q | 32.9 | Very low | 45.5 | Very low | 184 Ų | 184 | 119.2 Ų | 119.2 | 86% | 0.86 | 74% | 0.742 | S | S | * | * | trans | 173.9 | 171.8 | 152.5 | -99.2 | -152.5 | -11.8 | 0 | 0 | 111.1 | ||||
| 413 | P | 41.5 | Very low | 47.7 | Very low | 109 Ų | 109 | 120.7 Ų | 120.7 | 71% | 0.708 | 73% | 0.732 | S | S | * | * | -123.8 | -180 | -72.3 | 30 | -7.2 | 0 | 0 | 0 | 112.4 | |||||
| 414 | A | 41.3 | Very low | 49.7 | Very low | 88 Ų | 88 | 116.2 Ų | 116.2 | 73% | 0.727 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 149.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | V416 | A414-V416 PolarHBondContact O-N 2.87Š|
| 415 | P | 43 | Very low | 51.5 | Low | 129 Ų | 129 | 116.7 Ų | 116.7 | 84% | 0.838 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 128.6 | -179 | 27.4 | -32.4 | 0 | 0 | 0 | 111.8 | S417 | P415-S417 PolarHBondContact O-N 3.2Š|
| 416 | V | 43.3 | Very low | 52.5 | Low | 144 Ų | 144 | 113.1 Ų | 113.1 | 87% | 0.873 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 121.8 | 172.7 | -83.4 | 0 | 0 | 0 | 0 | 111.4 | A414 | A414-V416 PolarHBondContact O-N 2.87Š|
| 417 | S | 50.6 | Low | 54.3 | Low | 104 Ų | 104 | 113.4 Ų | 113.4 | 73% | 0.727 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -68 | 124.4 | 165.8 | 175.7 | 0 | 0 | 0 | 0 | 109.1 | P415 G419 | P415-S417 PolarHBondContact O-N 3.2Å; S417-G419 PolarHBondContact O-N 3.14Å |
| 418 | D | 58.9 | Low | 56.3 | Low | 112 Ų | 112 | 118.5 Ų | 118.5 | 60% | 0.599 | 67% | 0.67 | S | S | * | * | trans | -72.2 | 109.8 | -178.3 | -167.3 | -0.4 | 0 | 0 | 0 | 109.9 | R420 S421 D422 | D418-R420 PolarHBondContact O-N 3.11Å; D418-S421 VanDerWaalsContact O-CB 3.31Å; D418-S421 WeakPolarHBondContact O-CB 3.18Å; D418-S421 PolarHBondContact O-N 2.74Å; D418-D422 PolarHBondContact O-N 3.25Å | ||
| 419 | G | 65.6 | Low | 58 | Low | 54 Ų | 54 | 121.2 Ų | 121.2 | 56% | 0.557 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -58.3 | -16.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | S417 L423 | S417-G419 PolarHBondContact O-N 3.14Å; G419-L423 WeakPolarHBondContact O-CB 3.21Å; G419-L423 PolarHBondContact O-N 3.36Å; G419-L423 VanDerWaalsContact O-N 3.11Å |
| 420 | R | 64.4 | Low | 58.7 | Low | 189 Ų | 189 | 117.8 Ų | 117.8 | 71% | 0.713 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -73 | -35.6 | 172.4 | -171.4 | 177.5 | -179.6 | 134.3 | 0.5 | 112.8 | D418 L424 | D418-R420 PolarHBondContact O-N 3.11Å; R420-L424 HydrophobicContact CG-CD1 4.42Å; R420-L424 VanDerWaalsContact O-CG 3.31Å; R420-L424 WeakPolarHBondContact O-CG 3.37Å; R420-L424 PolarHBondContact O-N 3.22Å; R420-L424 VanDerWaalsContact O-N 3.1Å |
| 421 | S | 72.9 | Confident | 60.4 | Low | 64 Ų | 64 | 116.9 Ų | 116.9 | 45% | 0.448 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -65.7 | -43.4 | 175.2 | 173.6 | 0 | 0 | 0 | 0 | 110.6 | D418 L424 Q425 | D418-S421 VanDerWaalsContact O-CB 3.31Å; D418-S421 WeakPolarHBondContact O-CB 3.18Å; D418-S421 PolarHBondContact O-N 2.74Å; S421-L424 PolarHBondContact O-N 3.11Å; S421-Q425 PolarHBondContact O-N 2.83Å |
| 422 | D | 70.6 | Confident | 60.8 | Low | 100 Ų | 100 | 119.2 Ų | 119.2 | 54% | 0.535 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -66.7 | -41.1 | 180 | -161.3 | 30.7 | 0 | 0 | 0 | 111.5 | D418 L424 Q425 A426 | D418-D422 PolarHBondContact O-N 3.25Å; D422-L424 PolarHBondContact O-N 2.69Å; D422-Q425 PolarHBondContact O-N 2.89Å; D422-A426 WeakPolarHBondContact O-CB 3.44Å; D422-A426 PolarHBondContact O-N 3.48Å |
| 423 | L | 73.3 | Confident | 61.5 | Low | 107 Ų | 107 | 117.7 Ų | 117.7 | 56% | 0.56 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -61.7 | -42 | 173.2 | -178 | 63.1 | 0 | 0 | 0 | 112.4 | G419 Q425 A426 I427 | G419-L423 WeakPolarHBondContact O-CB 3.21Å; G419-L423 PolarHBondContact O-N 3.36Å; G419-L423 VanDerWaalsContact O-N 3.11Å; L423-Q425 VanDerWaalsContact C-N 3.34Å; L423-A426 PolarHBondContact O-N 3.31Å; L423-I427 HydrophobicContact CD1-CD1 4.27Å; L423-I427 HydrophobicContact CG-CD1 4Å; L423-I427 WeakPolarHBondContact O-CD1 3.21Å; L423-I427 VanDerWaalsContact O-CG1 3.22Å; L423-I427 WeakPolarHBondContact O-CG1 3.39Å; L423-I427 PolarHBondContact O-N 3.47Å |
| 424 | L | 74.9 | Confident | 62.4 | Low | 91 Ų | 91 | 123.8 Ų | 123.8 | 48% | 0.476 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -69.8 | -31.2 | 177.4 | -72.4 | 170.6 | 0 | 0 | 0 | 112.2 | R420 S421 D422 R428 | R420-L424 HydrophobicContact CG-CD1 4.42Å; R420-L424 VanDerWaalsContact O-CG 3.31Å; R420-L424 WeakPolarHBondContact O-CG 3.37Å; R420-L424 PolarHBondContact O-N 3.22Å; R420-L424 VanDerWaalsContact O-N 3.1Å; S421-L424 PolarHBondContact O-N 3.11Å; D422-L424 PolarHBondContact O-N 2.69Å; L424-R428 WeakPolarHBondContact O-CB 3.42Å; L424-R428 WeakPolarHBondContact O-CD 3.47Å; L424-R428 WeakPolarHBondContact O-CG 3.42Å; L424-R428 PolarHBondContact O-N 2.9Å; L424-R428 VanDerWaalsContact O-N 3.14Å |
| 425 | Q | 72.5 | Confident | 63 | Low | 102 Ų | 102 | 129.7 Ų | 129.7 | 48% | 0.477 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -68.8 | -42.9 | 169.8 | -93.9 | 178.3 | -37.8 | 0 | 0 | 111.9 | S421 D422 L423 I427 R428 Q429 | S421-Q425 PolarHBondContact O-N 2.83Å; D422-Q425 PolarHBondContact O-N 2.89Å; L423-Q425 VanDerWaalsContact C-N 3.34Å; Q425-I427 PolarHBondContact O-N 3.2Å; Q425-R428 PolarHBondContact O-N 3.45Å; Q425-Q429 WeakPolarHBondContact O-CB 3.35Å; Q425-Q429 VanDerWaalsContact O-CG 3.28Å; Q425-Q429 WeakPolarHBondContact O-CG 3.27Å; Q425-Q429 PolarHBondContact O-N 3.05Å |
| 426 | A | 70.9 | Confident | 63.2 | Low | 48 Ų | 48 | 130 Ų | 130 | 40% | 0.397 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -63.4 | -38.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | D422 L423 Q429 G430 | D422-A426 WeakPolarHBondContact O-CB 3.44Å; D422-A426 PolarHBondContact O-N 3.48Å; L423-A426 PolarHBondContact O-N 3.31Å; A426-Q429 PolarHBondContact O-N 2.82Å; A426-G430 PolarHBondContact O-N 2.7Å; A426-G430 VanDerWaalsContact O-N 3.14Å |
| 427 | I | 70.4 | Confident | 63.1 | Low | 115 Ų | 115 | 132 Ų | 132 | 59% | 0.59 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -66 | -38.9 | 174 | -68.3 | 164.7 | 0 | 0 | 0 | 111.1 | L423 Q425 | L423-I427 HydrophobicContact CD1-CD1 4.27Å; L423-I427 HydrophobicContact CG-CD1 4Å; L423-I427 WeakPolarHBondContact O-CD1 3.21Å; L423-I427 VanDerWaalsContact O-CG1 3.22Å; L423-I427 WeakPolarHBondContact O-CG1 3.39Å; L423-I427 PolarHBondContact O-N 3.47Å; Q425-I427 PolarHBondContact O-N 3.2Å |
| 428 | R | 72.5 | Confident | 63 | Low | 220 Ų | 220 | 131.4 Ų | 131.4 | 83% | 0.83 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -71.8 | -31.7 | 178.2 | -76.2 | 172.3 | 176.7 | -137.1 | 0.2 | 113.3 | L424 Q425 | L424-R428 WeakPolarHBondContact O-CB 3.42Å; L424-R428 WeakPolarHBondContact O-CD 3.47Å; L424-R428 WeakPolarHBondContact O-CG 3.42Å; L424-R428 PolarHBondContact O-N 2.9Å; L424-R428 VanDerWaalsContact O-N 3.14Å; Q425-R428 PolarHBondContact O-N 3.45Å |
| 429 | Q | 72.9 | Confident | 62.2 | Low | 149 Ų | 149 | 135.6 Ų | 135.6 | 70% | 0.696 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -82.2 | -22.4 | -179.4 | -71.3 | 174.6 | 12.3 | 0 | 0 | 112.8 | Q425 A426 | Q425-Q429 WeakPolarHBondContact O-CB 3.35Å; Q425-Q429 VanDerWaalsContact O-CG 3.28Å; Q425-Q429 WeakPolarHBondContact O-CG 3.27Å; Q425-Q429 PolarHBondContact O-N 3.05Å; A426-Q429 PolarHBondContact O-N 2.82Å |
| 430 | G | 63.6 | Low | 61.5 | Low | 47 Ų | 47 | 141.3 Ų | 141.3 | 49% | 0.485 | 69% | 0.692 | S | S | . | * | trans | 73.7 | 154 | -180 | 0 | 0 | 0 | 0 | 0 | 112.8 | A426 | A426-G430 PolarHBondContact O-N 2.7Å; A426-G430 VanDerWaalsContact O-N 3.14Å | ||
| 431 | F | 67.6 | Low | 60.7 | Low | 188 Ų | 188 | 141 Ų | 141 | 83% | 0.825 | 70% | 0.699 | S | S | * | * | trans | -93.5 | 122.5 | 179.8 | -127.4 | -87.7 | 0 | 0 | 0 | 110.5 | L433 | F431-L433 PolarHBondContact O-N 2.92Å; F431-L433 VanDerWaalsContact O-N 3.15Å | ||
| 432 | N | 52.4 | Low | 59.1 | Low | 159 Ų | 159 | 146.7 Ų | 146.7 | 85% | 0.85 | 72% | 0.718 | S | S | * | * | trans | -76.7 | 98.5 | 168 | -81.5 | 7.9 | 0 | 0 | 0 | 109.3 | ||||
| 433 | L | 49.5 | Very low | 57.7 | Low | 153 Ų | 153 | 149.3 Ų | 149.3 | 80% | 0.801 | 73% | 0.727 | S | S | * | * | trans | -68.1 | 133.7 | 171.1 | -64.6 | 170.6 | 0 | 0 | 0 | 109.7 | F431 K435 | F431-L433 PolarHBondContact O-N 2.92Å; F431-L433 VanDerWaalsContact O-N 3.15Å; L433-K435 PolarHBondContact O-N 3.5Å | ||
| 434 | R | 59.2 | Low | 56.4 | Low | 237 Ų | 237 | 151 Ų | 151 | 89% | 0.894 | 73% | 0.73 | S | S | * | * | trans | -61.7 | 134.5 | 169.7 | -70.2 | -174.6 | -153.9 | 178.1 | 7.1 | 108.8 | V436 | R434-V436 PolarHBondContact O-N 3.5Š| ||
| 435 | K | 54.5 | Low | 55 | Low | 212 Ų | 212 | 156.8 Ų | 156.8 | 92% | 0.922 | 75% | 0.746 | S | S | * | * | trans | -59.5 | 111.7 | 170.9 | -80.2 | -180 | 175 | 177.6 | 0 | 108.9 | L433 | L433-K435 PolarHBondContact O-N 3.5Š| ||
| 436 | V | 46 | Very low | 53.7 | Low | 136 Ų | 136 | 158.8 Ų | 158.8 | 82% | 0.824 | 76% | 0.76 | S | S | * | * | trans | -81.1 | 126.4 | 165.3 | 177.1 | 0 | 0 | 0 | 0 | 107 | R434 A438 | R434-V436 PolarHBondContact O-N 3.5Å; V436-A438 PolarHBondContact O-N 2.89Å | ||
| 437 | E | 41.7 | Very low | 52.5 | Low | 184 Ų | 184 | 164.9 Ų | 164.9 | 86% | 0.86 | 78% | 0.779 | S | S | * | * | trans | -54.6 | 131.4 | 173 | -110.2 | 172.3 | 165.1 | 0 | 0 | 110.4 | Q439 | E437-Q439 PolarHBondContact O-N 3.39Š| ||
| 438 | A | 48.6 | Very low | 51.7 | Low | 92 Ų | 92 | 166.6 Ų | 166.6 | 76% | 0.76 | 78% | 0.783 | S | S | * | * | trans | -72.7 | 85.8 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112 | V436 R440 | V436-A438 PolarHBondContact O-N 2.89Å; A438-R440 PolarHBondContact O-N 3.3Å | ||
| 439 | Q | 42.8 | Very low | 50.8 | Low | 200 Ų | 200 | 157.7 Ų | 157.7 | 94% | 0.935 | 76% | 0.76 | S | S | * | * | trans | -80.5 | 63.6 | 162.4 | -166 | 174.9 | -7.5 | 0 | 0 | 109.9 | E437 | E437-Q439 PolarHBondContact O-N 3.39Š| ||
| 440 | R | 50.7 | Low | 50.3 | Low | 175 Ų | 175 | 153.8 Ų | 153.8 | 66% | 0.66 | 74% | 0.744 | S | S | * | * | trans | -138.3 | 20.7 | 176.4 | -151 | -169.7 | 176.9 | -144.8 | -2.9 | 114 | A438 | A438-R440 PolarHBondContact O-N 3.3Š| ||
| 441 | E | 47.5 | Very low | 50.8 | Low | 181 Ų | 181 | 156 Ų | 156 | 85% | 0.846 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -91.1 | -17.2 | -178.2 | -125.9 | 178.2 | 176.1 | 0 | 0 | 113.8 | ||
| 442 | Q | 38 | Very low | 51 | Low | 185 Ų | 185 | 149.4 Ų | 149.4 | 86% | 0.864 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -82.5 | -31.4 | -175.7 | -160.5 | 83.4 | 12 | 0 | 0 | 113.5 | ||
| 443 | E | 43 | Very low | 52.1 | Low | 155 Ų | 155 | 142.6 Ų | 142.6 | 72% | 0.724 | 69% | 0.686 | S | S | * | * | G | 310 helix | trans | -84.4 | -13.7 | -171.8 | -146.2 | 179.6 | -162.9 | 0 | 0 | 113.5 | R445 | E443-R445 VanDerWaalsContact C-N 3.28Å; E443-R445 PolarHBondContact O-N 3.2Å |
| 444 | K | 45.9 | Very low | 53.4 | Low | 141 Ų | 141 | 136.8 Ų | 136.8 | 61% | 0.613 | 66% | 0.659 | S | S | * | * | G | 310 helix | trans | -78.6 | -2.8 | -177 | -83.4 | -168.2 | 175.4 | -172.7 | 0 | 114.9 | ||
| 445 | R | 45.5 | Very low | 54.3 | Low | 213 Ų | 213 | 129.7 Ų | 129.7 | 80% | 0.804 | 64% | 0.638 | S | S | * | * | G | 310 helix | trans | -77.9 | -21.5 | -175.7 | -151.3 | 171.3 | 179.7 | 156 | -2.2 | 113.3 | E443 | E443-R445 VanDerWaalsContact C-N 3.28Å; E443-R445 PolarHBondContact O-N 3.2Å |
| 446 | D | 44.2 | Very low | 55.3 | Low | 145 Ų | 145 | 121.2 Ų | 121.2 | 78% | 0.775 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -104 | -6.7 | -168.1 | -64.6 | -23 | 0 | 0 | 0 | 115.5 | F448 | D446-F448 VanDerWaalsContact C-N 3.34Å; D446-F448 PolarHBondContact O-N 3.29Å |
| 447 | H | 46.7 | Very low | 56.7 | Low | 175 Ų | 175 | 116.8 Ų | 116.8 | 81% | 0.81 | 58% | 0.578 | S | S | * | * | trans | -95.4 | 24.6 | 176.7 | -97.9 | 76.9 | 0 | 0 | 0 | 114.2 | G449 | H447-G449 PolarHBondContact O-N 3.03Š| ||
| 448 | F | 53.3 | Low | 58.4 | Low | 151 Ų | 151 | 113.9 Ų | 113.9 | 66% | 0.662 | 56% | 0.559 | S | S | * | * | trans | -71.6 | 93.4 | -172.5 | -129.9 | -107 | 0 | 0 | 0 | 111.8 | D446 | D446-F448 VanDerWaalsContact C-N 3.34Å; D446-F448 PolarHBondContact O-N 3.29Å | ||
| 449 | G | 52.9 | Low | 59.8 | Low | 34 Ų | 34 | 118.1 Ų | 118.1 | 35% | 0.351 | 56% | 0.556 | S | S | . | * | S | Bend | trans | -165.1 | -67.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | H447 | H447-G449 PolarHBondContact O-N 3.03Š|
| 450 | N | 62.3 | Low | 61.2 | Low | 66 Ų | 66 | 109.8 Ų | 109.8 | 35% | 0.353 | 52% | 0.517 | S | S | . | . | trans | -140.8 | 10.4 | -153 | -65.7 | 60.7 | 0 | 0 | 0 | 114.9 | Q107 | Q107-N450 VanDerWaalsContact CD-CG 3.43Å; Q107-N450 VanDerWaalsContact NE2-CG 3.26Å; Q107-N450 PolarHBondContact NE2-ND2 2.71Å; Q107-N450 PolarHBondContact NE2-OD1 3.07Å; Q107-N450 PolarHBondContact OE1-ND2 2.82Å | ||
| 451 | D | 74.6 | Confident | 62 | Low | 93 Ų | 93 | 103.7 Ų | 103.7 | 50% | 0.497 | 50% | 0.504 | S | S | . | . | trans | -71.1 | 134.1 | 170 | -177.3 | 11.3 | 0 | 0 | 0 | 109.9 | A453 A454 I455 | D451-A453 PolarHBondContact O-N 3.48Å; D451-A453 PolarHBondContact OD1-N 3.45Å; D451-A454 HydrophobicContact CB-CB 4.21Å; D451-A454 WeakPolarHBondContact O-CA 3.43Å; D451-A454 WeakPolarHBondContact O-CB 3.48Å; D451-A454 PolarHBondContact O-N 3.23Å; D451-I455 WeakPolarHBondContact O-CG1 3.31Å; D451-I455 PolarHBondContact O-N 3.46Å | ||
| 452 | V | 72.3 | Confident | 63.1 | Low | 50 Ų | 50 | 99.7 Ų | 99.7 | 30% | 0.303 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -57.4 | -34.8 | 178 | 174.9 | 0 | 0 | 0 | 0 | 110.3 | W161 I455 L456 | W161-V452 HydrophobicContact CH2-CB 3.66Å; W161-V452 HydrophobicContact CH2-CG1 3.57Å; W161-V452 HydrophobicContact CZ3-CB 4.18Å; W161-V452 HydrophobicContact CZ3-CG1 3.67Å; V452-I455 PolarHBondContact O-N 2.93Å; V452-L456 HydrophobicContact CG1-CD1 4.1Å; V452-L456 HydrophobicContact CG1-CG 4.43Å; V452-L456 WeakPolarHBondContact O-CB 3.22Å; V452-L456 VanDerWaalsContact O-CG 3.25Å; V452-L456 WeakPolarHBondContact O-CG 3.19Å; V452-L456 PolarHBondContact O-N 3.15Å |
| 453 | A | 75.4 | Confident | 64.1 | Low | 17 Ų | 17 | 97.1 Ų | 97.1 | 14% | 0.14 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -63.1 | -44.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | W161 M165 D451 I455 L456 S457 | W161-A453 HydrophobicContact CZ2-CB 4.37Å; M165-A453 HydrophobicContact CG-CB 4.41Å; M165-A453 HydrophobicContact SD-CB 4.21Å; D451-A453 PolarHBondContact O-N 3.48Å; D451-A453 PolarHBondContact OD1-N 3.45Å; A453-I455 VanDerWaalsContact C-N 3.35Å; A453-I455 PolarHBondContact O-N 3.12Å; A453-L456 PolarHBondContact O-N 3.14Å; A453-S457 PolarHBondContact O-N 3.14Å; A453-S457 PolarHBondContact O-OG 3.46Å |
| 454 | A | 76.6 | Confident | 64.6 | Low | 30 Ų | 30 | 91.8 Ų | 91.8 | 25% | 0.248 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -66.4 | -35.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | D451 R458 | D451-A454 HydrophobicContact CB-CB 4.21Å; D451-A454 WeakPolarHBondContact O-CA 3.43Å; D451-A454 WeakPolarHBondContact O-CB 3.48Å; D451-A454 PolarHBondContact O-N 3.23Å; A454-R458 WeakPolarHBondContact O-CB 3.41Å; A454-R458 PolarHBondContact O-N 2.93Å |
| 455 | I | 77.6 | Confident | 64.9 | Low | 88 Ų | 88 | 90.1 Ų | 90.1 | 45% | 0.451 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -66.1 | -46.7 | 175.4 | -65.2 | 167.6 | 0 | 0 | 0 | 110.4 | D451 V452 A453 R458 R459 | D451-I455 WeakPolarHBondContact O-CG1 3.31Å; D451-I455 PolarHBondContact O-N 3.46Å; V452-I455 PolarHBondContact O-N 2.93Å; A453-I455 VanDerWaalsContact C-N 3.35Å; A453-I455 PolarHBondContact O-N 3.12Å; I455-R458 PolarHBondContact O-N 3.49Å; I455-R459 WeakPolarHBondContact O-CB 3.28Å; I455-R459 PolarHBondContact O-N 3.37Å |
| 456 | L | 76.9 | Confident | 64.8 | Low | 35 Ų | 35 | 87.3 Ų | 87.3 | 18% | 0.183 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -61.7 | -45.6 | 176.9 | -70.7 | 171.6 | 0 | 0 | 0 | 111.3 | K162 L166 V452 A453 R458 R459 I460 | K162-L456 HydrophobicContact CG-CD1 4.38Å; L166-L456 HydrophobicContact CD1-CB 4.04Å; L166-L456 HydrophobicContact CD1-CD1 4.05Å; L166-L456 HydrophobicContact CD1-CD2 3.78Å; L166-L456 HydrophobicContact CD1-CG 4.17Å; V452-L456 HydrophobicContact CG1-CD1 4.1Å; V452-L456 HydrophobicContact CG1-CG 4.43Å; V452-L456 WeakPolarHBondContact O-CB 3.22Å; V452-L456 VanDerWaalsContact O-CG 3.25Å; V452-L456 WeakPolarHBondContact O-CG 3.19Å; V452-L456 PolarHBondContact O-N 3.15Å; A453-L456 PolarHBondContact O-N 3.14Å; L456-R458 VanDerWaalsContact C-N 3.33Å; L456-R458 PolarHBondContact O-N 3.17Å; L456-R459 PolarHBondContact O-N 3.46Å; L456-I460 WeakPolarHBondContact O-CG1 3.45Å; L456-I460 PolarHBondContact O-N 3.34Å; L456-I460 VanDerWaalsContact O-N 3.1Å |
| 457 | S | 75.3 | Confident | 64.7 | Low | 43 Ų | 43 | 84.6 Ų | 84.6 | 30% | 0.301 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -60.5 | -41 | 176 | -57.6 | 0 | 0 | 0 | 0 | 112.6 | T169 A453 A461 | T169-S457 PolarHBondContact OG1-OG 2.89Å; A453-S457 PolarHBondContact O-N 3.14Å; A453-S457 PolarHBondContact O-OG 3.46Å; S457-A461 VanDerWaalsContact O-CB 3.28Å; S457-A461 WeakPolarHBondContact O-CB 3.43Å; S457-A461 PolarHBondContact O-N 2.83Å; S457-A461 VanDerWaalsContact O-N 3.17Å |
| 458 | R | 77.5 | Confident | 64.6 | Low | 123 Ų | 123 | 82.3 Ų | 82.3 | 46% | 0.464 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -67 | -44.1 | 177.1 | -170.3 | -172.1 | -55.6 | -87.6 | -1.1 | 112 | A454 I455 L456 A461 V462 | A454-R458 WeakPolarHBondContact O-CB 3.41Å; A454-R458 PolarHBondContact O-N 2.93Å; I455-R458 PolarHBondContact O-N 3.49Å; L456-R458 VanDerWaalsContact C-N 3.33Å; L456-R458 PolarHBondContact O-N 3.17Å; R458-A461 PolarHBondContact O-N 3.23Å; R458-V462 WeakPolarHBondContact O-CG2 3.43Å; R458-V462 PolarHBondContact O-N 3.44Å; R458-V462 VanDerWaalsContact O-N 3.13Å |
| 459 | R | 77.8 | Confident | 64 | Low | 181 Ų | 181 | 82.8 Ų | 82.8 | 68% | 0.683 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -63.8 | -46.6 | -177 | -172.4 | 71.3 | -176.7 | -172.4 | 3.1 | 111.6 | I455 L456 A461 V462 E463 | I455-R459 WeakPolarHBondContact O-CB 3.28Å; I455-R459 PolarHBondContact O-N 3.37Å; L456-R459 PolarHBondContact O-N 3.46Å; R459-A461 PolarHBondContact O-N 2.93Å; R459-V462 PolarHBondContact O-N 3.29Å; R459-E463 PolarHBondContact O-N 2.87Å; R459-E463 VanDerWaalsContact O-N 3.09Å |
| 460 | I | 71.7 | Confident | 63.6 | Low | 25 Ų | 25 | 88.4 Ų | 88.4 | 13% | 0.128 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -65.3 | -39.9 | 177.9 | -65.4 | 171 | 0 | 0 | 0 | 111.1 | L166 T169 M173 L456 V462 E463 C464 | L166-I460 HydrophobicContact CD1-CD1 3.47Å; L166-I460 VanDerWaalsContact CD1-CD1 3.47Å; L166-I460 HydrophobicContact CD2-CD1 4.49Å; L166-I460 HydrophobicContact CG-CD1 3.62Å; T169-I460 HydrophobicContact CG2-CB 4.47Å; T169-I460 HydrophobicContact CG2-CD1 4.21Å; M173-I460 HydrophobicContact CE-CG2 4.43Å; M173-I460 HydrophobicContact SD-CG2 3.83Å; L456-I460 WeakPolarHBondContact O-CG1 3.45Å; L456-I460 PolarHBondContact O-N 3.34Å; L456-I460 VanDerWaalsContact O-N 3.1Å; I460-V462 VanDerWaalsContact C-N 3.28Å; I460-V462 PolarHBondContact O-N 3.1Å; I460-E463 PolarHBondContact O-N 3.49Å; I460-C464 PolarHBondContact O-N 2.95Å; I460-C464 VanDerWaalsContact O-N 3.09Å |
| 461 | A | 67.4 | Low | 62.7 | Low | 46 Ų | 46 | 91.4 Ų | 91.4 | 38% | 0.38 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.9 | -34.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113 | S457 R458 R459 S465 | S457-A461 VanDerWaalsContact O-CB 3.28Å; S457-A461 WeakPolarHBondContact O-CB 3.43Å; S457-A461 PolarHBondContact O-N 2.83Å; S457-A461 VanDerWaalsContact O-N 3.17Å; R458-A461 PolarHBondContact O-N 3.23Å; R459-A461 PolarHBondContact O-N 2.93Å; A461-S465 WeakPolarHBondContact O-CB 3.31Å; A461-S465 PolarHBondContact O-N 3.46Å |
| 462 | V | 71.4 | Confident | 61.5 | Low | 98 Ų | 98 | 92.5 Ų | 92.5 | 59% | 0.594 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -73.2 | -44.9 | 176.2 | 172.5 | 0 | 0 | 0 | 0 | 110.8 | R458 R459 I460 C464 S465 | R458-V462 WeakPolarHBondContact O-CG2 3.43Å; R458-V462 PolarHBondContact O-N 3.44Å; R458-V462 VanDerWaalsContact O-N 3.13Å; R459-V462 PolarHBondContact O-N 3.29Å; I460-V462 VanDerWaalsContact C-N 3.28Å; I460-V462 PolarHBondContact O-N 3.1Å; V462-C464 PolarHBondContact O-N 3.27Å; V462-S465 PolarHBondContact O-N 3.11Å; V462-S465 VanDerWaalsContact O-N 3.15Å |
| 463 | E | 58.9 | Low | 60.3 | Low | 130 Ų | 130 | 99.5 Ų | 99.5 | 61% | 0.607 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -67.1 | -33.9 | -175.9 | -164.4 | 166.6 | -172.4 | 0 | 0 | 113.2 | R459 I460 | R459-E463 PolarHBondContact O-N 2.87Å; R459-E463 VanDerWaalsContact O-N 3.09Å; I460-E463 PolarHBondContact O-N 3.49Å |
| 464 | C | 51.8 | Low | 58.3 | Low | 44 Ų | 44 | 108 Ų | 108 | 30% | 0.297 | 58% | 0.584 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84.5 | -7.7 | 174.2 | -59.8 | 0 | 0 | 0 | 0 | 114.4 | M173 I460 V462 | M173-C464 HydrophobicContact CE-CB 4.18Å; I460-C464 PolarHBondContact O-N 2.95Å; I460-C464 VanDerWaalsContact O-N 3.09Å; V462-C464 PolarHBondContact O-N 3.27Å |
| 465 | S | 52.2 | Low | 56.7 | Low | 106 Ų | 106 | 112.8 Ų | 112.8 | 74% | 0.741 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.8 | -16.8 | 174.9 | -122.5 | 0 | 0 | 0 | 0 | 112.4 | A461 V462 | A461-S465 WeakPolarHBondContact O-CB 3.31Å; A461-S465 PolarHBondContact O-N 3.46Å; V462-S465 PolarHBondContact O-N 3.11Å; V462-S465 VanDerWaalsContact O-N 3.15Å |
| 466 | D | 43.4 | Very low | 55.3 | Low | 153 Ų | 153 | 115.2 Ų | 115.2 | 82% | 0.818 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -99.2 | -9.2 | -177.2 | -151.6 | 31.4 | 0 | 0 | 0 | 112.7 | ||
| 467 | S | 42.1 | Very low | 53.7 | Low | 88 Ų | 88 | 121 Ų | 121 | 62% | 0.615 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -109.3 | 13.5 | -174 | 73.4 | 0 | 0 | 0 | 0 | 115.1 | ||
| 468 | E | 45.1 | Very low | 52.5 | Low | 127 Ų | 127 | 126 Ų | 126 | 59% | 0.593 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -124.7 | 25.1 | -176 | -64.9 | -168.5 | 150.5 | 0 | 0 | 114.4 | R177 | R177-E468 IonicContact CZ-OE1 2.71Å; R177-E468 IonicContact CZ-OE2 2.81Å; R177-E468 VanDerWaalsContact CZ-OE2 3.27Å; R177-E468 IonicContact NH1-OE1 3.83Å; R177-E468 PolarHBondContact NH1-OE1 3.38Å; R177-E468 IonicContact NH1-OE2 3.95Å; R177-E468 PolarHBondContact NH1-OE2 3.27Å; R177-E468 IonicContact NH2-OE1 3.3Å; R177-E468 PolarHBondContact NH2-OE1 3.41Å; R177-E468 IonicContact NH2-OE2 3Å; R177-E468 PolarHBondContact NH2-OE2 3.42Å |
| 469 | D | 41.7 | Very low | 51 | Low | 161 Ų | 161 | 130.3 Ų | 130.3 | 86% | 0.861 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -125.4 | 13.7 | 177.4 | -154.8 | 36.9 | 0 | 0 | 0 | 116.1 | ||
| 470 | D | 43.5 | Very low | 49.3 | Very low | 153 Ų | 153 | 127.2 Ų | 127.2 | 82% | 0.818 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -144.4 | 41.6 | 179.7 | -158.9 | 23.1 | 0 | 0 | 0 | 115.4 | ||
| 471 | S | 43.3 | Very low | 47.8 | Very low | 128 Ų | 128 | 138.6 Ų | 138.6 | 90% | 0.895 | 75% | 0.745 | S | S | * | * | trans | -147 | 64.2 | 170.7 | -57.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 472 | S | 49.2 | Very low | 46.8 | Very low | 116 Ų | 116 | 143.3 Ų | 143.3 | 81% | 0.811 | 76% | 0.763 | S | S | * | * | trans | -150.2 | 70.9 | 163 | 67.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 473 | E | 46.7 | Very low | 45.5 | Very low | 198 Ų | 198 | 145.6 Ų | 145.6 | 93% | 0.925 | 77% | 0.772 | S | S | * | * | trans | -161.7 | 145.8 | 155.2 | -133.4 | 169.6 | 156 | 0 | 0 | 110.7 | ||||
| 474 | F | 35.2 | Very low | 44.8 | Very low | 194 Ų | 194 | 146.5 Ų | 146.5 | 85% | 0.851 | 78% | 0.781 | S | S | * | * | trans | 85.6 | 77.2 | -176.8 | -122.6 | -94.9 | 0 | 0 | 0 | 115.4 | ||||
| 475 | D | 41.5 | Very low | 44.4 | Very low | 132 Ų | 132 | 152.5 Ų | 152.5 | 71% | 0.706 | 81% | 0.809 | S | S | * | * | 72.9 | 114.1 | 74.6 | -155.3 | 33.9 | 0 | 0 | 0 | 112.1 | |||||
| 476 | D | 47.9 | Very low | 43.9 | Very low | 139 Ų | 139 | 155.4 Ų | 155.4 | 74% | 0.743 | 81% | 0.814 | S | S | * | * | trans | -71.3 | 134.7 | 176.9 | -56.1 | -64.5 | 0 | 0 | 0 | 108.9 | ||||
| 477 | D | 45.2 | Very low | 43.9 | Very low | 157 Ų | 157 | 155.6 Ų | 155.6 | 84% | 0.84 | 81% | 0.813 | S | S | * | * | trans | 167.6 | 141.5 | 134.8 | -89.3 | -38.3 | 0 | 0 | 0 | 113.7 | ||||
| 478 | E | 48 | Very low | 44 | Very low | 146 Ų | 146 | 160.4 Ų | 160.4 | 68% | 0.682 | 83% | 0.827 | S | S | * | * | trans | 74.6 | 104.2 | 150.6 | -138.8 | 167.4 | -158.4 | 0 | 0 | 118.9 | ||||
| 479 | W | 47.3 | Very low | 44 | Very low | 215 Ų | 215 | 163 Ų | 163 | 81% | 0.814 | 85% | 0.845 | S | S | * | * | -179.6 | 116 | 100.4 | -87.7 | 98.6 | 0 | 0 | 0 | 108.7 | |||||
| 480 | S | 41.9 | Very low | 44.1 | Very low | 115 Ų | 115 | 163.2 Ų | 163.2 | 80% | 0.804 | 84% | 0.844 | S | S | * | * | trans | -81.1 | 125.4 | 161 | -54.5 | 0 | 0 | 0 | 0 | 108 | ||||
| 481 | E | 39.9 | Very low | 44.2 | Very low | 265 Ų | 265 | 164.1 Ų | 164.1 | 100% | 1.238 | 85% | 0.846 | S | S | * | * | trans | -158.7 | 0 | 141.7 | -142.2 | 171.5 | 158.8 | 0 | 0 | 111.3 |
Retrieved 481 of 481 residues in 199.7 ms
(Link to these results)