| 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 | 59.7 | Low | 88.3 | Confident | 199 Ų | 199 | 90.5 Ų | 90.5 | 98% | 0.98 | 51% | 0.507 | S | S | * | . | 0 | 128.5 | 0 | -71.3 | -175.8 | -74.3 | 0 | 0 | 107 | Y3 | M1-Y3 HydrophobicContact CB-CE1 4.5Š| |||
| 2 | V | 79.4 | Confident | 89 | Confident | 143 Ų | 143 | 92.6 Ų | 92.6 | 87% | 0.867 | 51% | 0.506 | S | S | * | . | trans | -94.9 | 114.5 | 175.7 | -179.7 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 3 | Y | 85.9 | Confident | 89.6 | Confident | 80 Ų | 80 | 86.4 Ų | 86.4 | 31% | 0.314 | 47% | 0.473 | S | S | . | . | trans | -80.6 | 144.7 | 176.1 | -64.3 | -59 | 0 | 0 | 0 | 110.1 | M1 L5 T7 I17 Y118 | M1-Y3 HydrophobicContact CB-CE1 4.5Å; Y3-L5 VanDerWaalsContact C-N 3.26Å; Y3-L5 WeakPolarHBondContact CB-O 3.44Å; Y3-L5 PolarHBondContact O-N 2.93Å; Y3-T7 HydrophobicContact CD1-CG2 4.45Å; Y3-T7 HydrophobicContact CD2-CG2 3.54Å; Y3-T7 HydrophobicContact CE2-CG2 4.17Å; Y3-T7 HydrophobicContact CG-CG2 3.7Å; Y3-I17 HydrophobicContact CD1-CD1 4.23Å; Y3-I17 HydrophobicContact CD1-CG2 4.39Å; Y3-I17 HydrophobicContact CE1-CD1 3.43Å; Y3-I17 VanDerWaalsContact CE1-CD1 3.43Å; Y3-I17 HydrophobicContact CE1-CG1 4.14Å; Y3-I17 HydrophobicContact CE1-CG2 4.25Å; Y3-Y118 WeakPolarHBondContact CB-OH 3.43Å | ||
| 4 | A | 88.1 | Confident | 90 | Very high | 46 Ų | 46 | 88.2 Ų | 88.2 | 38% | 0.38 | 49% | 0.491 | S | S | . | . | S | Bend | trans | -69.4 | -24.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113 | I78 E116 Y118 | A4-I78 HydrophobicContact CB-CD1 3.55Å; A4-I78 HydrophobicContact CB-CG1 4.39Å; A4-E116 HydrophobicContact CB-CG 4.22Å; A4-E116 WeakPolarHBondContact CB-OE2 3.48Å; A4-E116 PolarHBondContact N-OE2 2.91Å; A4-Y118 PolarHBondContact N-OH 3.01Å |
| 5 | L | 90.5 | Very high | 90.4 | Very high | 13 Ų | 13 | 89.3 Ų | 89.3 | 7% | 0.068 | 50% | 0.496 | C | S | . | . | S | Bend | trans | -120.2 | 151.8 | 179.7 | -61 | -177 | 0 | 0 | 0 | 111.8 | Y3 T7 I19 V23 I30 I78 I80 Y118 | Y3-L5 VanDerWaalsContact C-N 3.26Å; Y3-L5 WeakPolarHBondContact CB-O 3.44Å; Y3-L5 PolarHBondContact O-N 2.93Å; L5-T7 WeakPolarHBondContact O-CG2 3.32Å; L5-T7 PolarHBondContact O-N 3.14Å; L5-I19 HydrophobicContact CB-CG2 4.04Å; L5-I19 HydrophobicContact CD1-CD1 4.02Å; L5-I19 HydrophobicContact CD1-CG2 4.32Å; L5-V23 HydrophobicContact CB-CG1 4.17Å; L5-V23 HydrophobicContact CD1-CG1 4.07Å; L5-V23 HydrophobicContact CD2-CG1 4.03Å; L5-V23 HydrophobicContact CG-CG1 4.32Å; L5-I30 HydrophobicContact CD2-CD1 4.06Å; L5-I78 HydrophobicContact CD1-CG2 3.96Å; L5-I78 HydrophobicContact CD2-CD1 4.38Å; L5-I78 HydrophobicContact CG-CD1 4.28Å; L5-I80 HydrophobicContact CD1-CD1 3.95Å; L5-I80 HydrophobicContact CD1-CG1 4.39Å; L5-Y118 HydrophobicContact CB-CE1 4.14Å; L5-Y118 HydrophobicContact CB-CE2 4.24Å; L5-Y118 HydrophobicContact CD1-CD2 3.86Å; L5-Y118 HydrophobicContact CD1-CE2 3.95Å; L5-Y118 HydrophobicContact CD1-CG 4.28Å; L5-Y118 HydrophobicContact CG-CD2 4.43Å; L5-Y118 HydrophobicContact CG-CE2 4.01Å; L5-Y118 PolarHBondContact N-OH 3.02Å |
| 6 | P | 92.2 | Very high | 90.8 | Very high | 94 Ų | 94 | 85.4 Ų | 85.4 | 61% | 0.61 | 47% | 0.473 | S | S | * | . | trans | -60.1 | 122.4 | 170.9 | -21.1 | 33.1 | 0 | 0 | 0 | 111.2 | I19 V23 | P6-I19 WeakPolarHBondContact O-CG2 3.42Å; P6-V23 HydrophobicContact CB-CG2 4.41Å; P6-V23 HydrophobicContact CG-CG2 4.45Å | ||
| 7 | T | 94.6 | Very high | 91.2 | Very high | 54 Ų | 54 | 84.2 Ų | 84.2 | 33% | 0.331 | 47% | 0.465 | S | S | . | . | trans | -104.5 | 148.3 | -176.2 | 58.7 | 0 | 0 | 0 | 0 | 112.5 | Y3 L5 I17 S18 Y118 | Y3-T7 HydrophobicContact CD1-CG2 4.45Å; Y3-T7 HydrophobicContact CD2-CG2 3.54Å; Y3-T7 HydrophobicContact CE2-CG2 4.17Å; Y3-T7 HydrophobicContact CG-CG2 3.7Å; L5-T7 WeakPolarHBondContact O-CG2 3.32Å; L5-T7 PolarHBondContact O-N 3.14Å; T7-I17 HydrophobicContact CG2-CG2 3.41Å; T7-I17 VanDerWaalsContact CG2-CG2 3.41Å; T7-S18 WeakPolarHBondContact CA-O 3.44Å; T7-Y118 HydrophobicContact CG2-CD1 4.39Å; T7-Y118 HydrophobicContact CG2-CE1 3.8Å | ||
| 8 | L | 95.2 | Very high | 91.6 | Very high | 40 Ų | 40 | 79.6 Ų | 79.6 | 21% | 0.209 | 44% | 0.44 | C | S | . | . | trans | -71.6 | 139.3 | 172 | -77.1 | 171.5 | 0 | 0 | 0 | 112.1 | P11 S18 E20 D121 | L8-P11 HydrophobicContact CB-CB 4.36Å; L8-S18 PolarHBondContact N-O 3.21Å; L8-E20 HydrophobicContact CD1-CG 4.04Å; L8-E20 HydrophobicContact CD2-CG 3.33Å; L8-E20 WeakPolarHBondContact CD2-OE1 3.43Å; L8-E20 HydrophobicContact CG-CG 3.71Å; L8-D121 HydrophobicContact CD1-CB 3.31Å | ||
| 9 | T | 94.3 | Very high | 91.8 | Very high | 135 Ų | 135 | 75.4 Ų | 75.4 | 83% | 0.828 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -77.8 | -32.6 | 172.6 | 51.4 | 0 | 0 | 0 | 0 | 112.4 | ||
| 10 | M | 94.8 | Very high | 92 | Very high | 167 Ų | 167 | 77.1 Ų | 77.1 | 82% | 0.823 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -129.5 | 72.8 | -177.6 | -66.3 | -63.6 | -67.4 | 0 | 0 | 111.1 | ||
| 11 | P | 96.4 | Very high | 92.1 | Very high | 25 Ų | 25 | 73.7 Ų | 73.7 | 16% | 0.162 | 40% | 0.403 | C | S | . | . | trans | -75.8 | 158 | 178.8 | 33.7 | -36.6 | 0 | 0 | 0 | 112 | L8 V13 S18 | L8-P11 HydrophobicContact CB-CB 4.36Å; P11-V13 PolarHBondContact O-N 2.9Å; P11-S18 WeakPolarHBondContact CB-OG 3.37Å | ||
| 12 | K | 96.6 | Very high | 93.6 | Very high | 115 Ų | 115 | 67.2 Ų | 67.2 | 50% | 0.5 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -64.3 | -23.2 | 175.4 | -67 | -179.6 | -172.4 | -174.8 | 0 | 113.2 | D121 | K12-D121 WeakPolarHBondContact CB-OD1 3.3Å; K12-D121 WeakPolarHBondContact CE-OD2 3.2Å; K12-D121 WeakPolarHBondContact CG-OD1 3.44Å; K12-D121 PolarHBondContact N-OD1 3.41Å |
| 13 | V | 97.5 | Very high | 94.2 | Very high | 12 Ų | 12 | 61.6 Ų | 61.6 | 7% | 0.073 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -117.1 | 92.9 | 175.6 | -175.8 | 0 | 0 | 0 | 0 | 108.3 | P11 D15 L16 P91 L119 | P11-V13 PolarHBondContact O-N 2.9Å; V13-D15 VanDerWaalsContact C-N 3.28Å; V13-D15 VanDerWaalsContact CG1-OD1 3.28Å; V13-D15 WeakPolarHBondContact CG1-OD1 3.25Å; V13-D15 PolarHBondContact O-N 2.94Å; V13-L16 HydrophobicContact CG1-CB 4.15Å; V13-L16 HydrophobicContact CG1-CD1 3.93Å; V13-L16 HydrophobicContact CG1-CG 3.95Å; V13-L16 PolarHBondContact O-N 3.09Å; V13-L16 VanDerWaalsContact O-N 3.16Å; V13-P91 HydrophobicContact CG1-CB 4.39Å; V13-P91 HydrophobicContact CG1-CG 4.3Å; V13-P91 HydrophobicContact CG2-CG 3.85Å; V13-L119 HydrophobicContact CB-CD2 4Å; V13-L119 HydrophobicContact CG2-CD2 3.96Å |
| 14 | P | 95.4 | Very high | 94.2 | Very high | 112 Ų | 112 | 58 Ų | 58 | 73% | 0.727 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -25.6 | -166.3 | -26.6 | 35.9 | 0 | 0 | 0 | 115.9 | L16 | P14-L16 VanDerWaalsContact C-N 3.34Š|
| 15 | D | 95.7 | Very high | 93.6 | Very high | 105 Ų | 105 | 56.3 Ų | 56.3 | 56% | 0.561 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | -3.1 | -178.9 | 67.4 | -57.3 | 0 | 0 | 0 | 113.8 | V13 R95 | V13-D15 VanDerWaalsContact C-N 3.28Å; V13-D15 VanDerWaalsContact CG1-OD1 3.28Å; V13-D15 WeakPolarHBondContact CG1-OD1 3.25Å; V13-D15 PolarHBondContact O-N 2.94Å; D15-R95 IonicContact OD1-CZ 3.03Å; D15-R95 IonicContact OD1-NH2 2.9Å; D15-R95 PolarHBondContact OD1-NH2 3.32Å; D15-R95 IonicContact OD2-CZ 2.91Å; D15-R95 VanDerWaalsContact OD2-CZ 3.29Å; D15-R95 IonicContact OD2-NE 2.82Å; D15-R95 PolarHBondContact OD2-NE 3.2Å; D15-R95 IonicContact OD2-NH2 3.94Å; D15-R95 PolarHBondContact OD2-NH2 3.19Å |
| 16 | L | 97.1 | Very high | 92.3 | Very high | 26 Ų | 26 | 59.9 Ų | 59.9 | 14% | 0.136 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -119.2 | 137.7 | -179.1 | -64.2 | -176.2 | 0 | 0 | 0 | 112 | V13 P14 S18 P91 R95 L119 | V13-L16 HydrophobicContact CG1-CB 4.15Å; V13-L16 HydrophobicContact CG1-CD1 3.93Å; V13-L16 HydrophobicContact CG1-CG 3.95Å; V13-L16 PolarHBondContact O-N 3.09Å; V13-L16 VanDerWaalsContact O-N 3.16Å; P14-L16 VanDerWaalsContact C-N 3.34Å; L16-S18 PolarHBondContact O-N 3.21Å; L16-S18 PolarHBondContact O-OG 3.46Å; L16-S18 VanDerWaalsContact O-OG 3.13Å; L16-P91 HydrophobicContact CD1-CB 3.61Å; L16-P91 HydrophobicContact CD1-CG 4.15Å; L16-R95 HydrophobicContact CD1-CG 4.5Å; L16-R95 HydrophobicContact CD2-CG 4.02Å; L16-L119 HydrophobicContact CB-CD2 4.47Å; L16-L119 HydrophobicContact CD1-CD2 4.23Å |
| 17 | I | 97 | Very high | 90.9 | Very high | 66 Ų | 66 | 61.9 Ų | 61.9 | 34% | 0.338 | 34% | 0.337 | S | S | . | . | trans | -67.7 | 121.4 | 174.4 | -53.9 | 161 | 0 | 0 | 0 | 108 | Y3 T7 Y118 L119 | Y3-I17 HydrophobicContact CD1-CD1 4.23Å; Y3-I17 HydrophobicContact CD1-CG2 4.39Å; Y3-I17 HydrophobicContact CE1-CD1 3.43Å; Y3-I17 VanDerWaalsContact CE1-CD1 3.43Å; Y3-I17 HydrophobicContact CE1-CG1 4.14Å; Y3-I17 HydrophobicContact CE1-CG2 4.25Å; T7-I17 HydrophobicContact CG2-CG2 3.41Å; T7-I17 VanDerWaalsContact CG2-CG2 3.41Å; I17-Y118 HydrophobicContact CB-CD1 4.38Å; I17-Y118 HydrophobicContact CG2-CD1 3.61Å; I17-Y118 HydrophobicContact CG2-CE1 3.62Å; I17-Y118 CarbonylContact O-C 3.53Å; I17-Y118 WeakPolarHBondContact O-CA 3.42Å; I17-L119 PolarHBondContact O-N 2.87Å | ||
| 18 | S | 97.9 | Very high | 89.3 | Confident | 1 Ų | 1 | 68.3 Ų | 68.3 | 1% | 0.007 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 153.7 | -175.3 | -50 | 0 | 0 | 0 | 0 | 111.8 | T7 L8 P11 L16 L119 | T7-S18 WeakPolarHBondContact CA-O 3.44Å; L8-S18 PolarHBondContact N-O 3.21Å; P11-S18 WeakPolarHBondContact CB-OG 3.37Å; L16-S18 PolarHBondContact O-N 3.21Å; L16-S18 PolarHBondContact O-OG 3.46Å; L16-S18 VanDerWaalsContact O-OG 3.13Å; S18-L119 CarbonylContact C-O 3.47Å; S18-L119 WeakPolarHBondContact CA-O 3.34Å; S18-L119 VanDerWaalsContact CB-O 3.29Å; S18-L119 WeakPolarHBondContact CB-O 3.4Å |
| 19 | I | 96.6 | Very high | 87.9 | Confident | 0 Ų | 0 | 76 Ų | 76 | 0% | 0 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 157.5 | 179.9 | 62.9 | 175.1 | 0 | 0 | 0 | 110.4 | L5 P6 V23 V24 I80 Y118 L119 L120 D121 | L5-I19 HydrophobicContact CB-CG2 4.04Å; L5-I19 HydrophobicContact CD1-CD1 4.02Å; L5-I19 HydrophobicContact CD1-CG2 4.32Å; P6-I19 WeakPolarHBondContact O-CG2 3.42Å; I19-V23 HydrophobicContact CB-CB 4.37Å; I19-V23 HydrophobicContact CB-CG2 4.3Å; I19-V23 HydrophobicContact CD1-CB 4.25Å; I19-V23 HydrophobicContact CD1-CG1 4.17Å; I19-V24 HydrophobicContact CD1-CG2 3.73Å; I19-I80 HydrophobicContact CD1-CD1 3.74Å; I19-I80 HydrophobicContact CD1-CG1 4.15Å; I19-I80 HydrophobicContact CD1-CG2 3.85Å; I19-Y118 HydrophobicContact CG2-CD1 3.5Å; I19-Y118 HydrophobicContact CG2-CE1 4.15Å; I19-Y118 HydrophobicContact CG2-CG 3.94Å; I19-L119 PolarHBondContact N-O 3.1Å; I19-L120 HydrophobicContact CG1-CD1 4.35Å; I19-D121 PolarHBondContact O-N 3.27Å |
| 20 | E | 95.5 | Very high | 86.9 | Confident | 109 Ų | 109 | 73 Ų | 73 | 51% | 0.509 | 37% | 0.371 | S | S | . | . | trans | -79.2 | 159.5 | 173 | -65.5 | -170.7 | 134.8 | 0 | 0 | 112.4 | L8 S22 V23 | L8-E20 HydrophobicContact CD1-CG 4.04Å; L8-E20 HydrophobicContact CD2-CG 3.33Å; L8-E20 WeakPolarHBondContact CD2-OE1 3.43Å; L8-E20 HydrophobicContact CG-CG 3.71Å; E20-S22 PolarHBondContact O-N 2.8Å; E20-V23 WeakPolarHBondContact O-CB 3.46Å; E20-V23 PolarHBondContact O-N 3.26Å; E20-V23 VanDerWaalsContact O-N 3.16Å | ||
| 21 | A | 93.8 | Very high | 86.2 | Confident | 5 Ų | 5 | 72.8 Ų | 72.8 | 4% | 0.041 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -57.9 | -35.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | V23 V24 F127 | A21-V23 PolarHBondContact O-N 2.88Å; A21-V24 PolarHBondContact O-N 3.38Å; A21-F127 HydrophobicContact CB-CB 4.39Å; A21-F127 HydrophobicContact CB-CD2 3.71Å; A21-F127 HydrophobicContact CB-CE2 4.49Å; A21-F127 HydrophobicContact CB-CG 4.46Å; A21-F127 WeakPolarHBondContact O-CE2 3.29Å |
| 22 | S | 91.6 | Very high | 85.9 | Confident | 64 Ų | 64 | 73.3 Ų | 73.3 | 45% | 0.448 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -59.5 | -27.1 | 178.9 | 58.4 | 0 | 0 | 0 | 0 | 113.5 | E20 | E20-S22 PolarHBondContact O-N 2.8Å |
| 23 | V | 90.9 | Very high | 85.7 | Confident | 25 Ų | 25 | 69.1 Ų | 69.1 | 15% | 0.152 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -70.4 | -36 | -178 | -178.5 | 0 | 0 | 0 | 0 | 111.7 | L5 P6 I19 E20 A21 | L5-V23 HydrophobicContact CB-CG1 4.17Å; L5-V23 HydrophobicContact CD1-CG1 4.07Å; L5-V23 HydrophobicContact CD2-CG1 4.03Å; L5-V23 HydrophobicContact CG-CG1 4.32Å; P6-V23 HydrophobicContact CB-CG2 4.41Å; P6-V23 HydrophobicContact CG-CG2 4.45Å; I19-V23 HydrophobicContact CB-CB 4.37Å; I19-V23 HydrophobicContact CB-CG2 4.3Å; I19-V23 HydrophobicContact CD1-CB 4.25Å; I19-V23 HydrophobicContact CD1-CG1 4.17Å; E20-V23 WeakPolarHBondContact O-CB 3.46Å; E20-V23 PolarHBondContact O-N 3.26Å; E20-V23 VanDerWaalsContact O-N 3.16Å; A21-V23 PolarHBondContact O-N 2.88Å |
| 24 | V | 87.4 | Confident | 85.6 | Confident | 5 Ų | 5 | 68.8 Ų | 68.8 | 3% | 0.03 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -79 | -19.6 | -173.1 | -178.1 | 0 | 0 | 0 | 0 | 112.9 | I19 A21 Y32 I34 I48 I80 L120 F127 | I19-V24 HydrophobicContact CD1-CG2 3.73Å; A21-V24 PolarHBondContact O-N 3.38Å; V24-Y32 HydrophobicContact CG1-CE2 4.13Å; V24-Y32 PolarHBondContact O-OH 3.36Å; V24-I34 HydrophobicContact CG1-CD1 3.65Å; V24-I34 HydrophobicContact CG1-CG1 4.3Å; V24-I48 HydrophobicContact CG1-CD1 4.26Å; V24-I48 HydrophobicContact CG1-CG2 4.01Å; V24-I80 HydrophobicContact CG2-CD1 4.1Å; V24-I80 HydrophobicContact CG2-CG2 4.34Å; V24-L120 HydrophobicContact CG2-CD1 3.8Å; V24-F127 HydrophobicContact CB-CE2 4.06Å; V24-F127 HydrophobicContact CG1-CE2 4.38Å |
| 25 | G | 73.8 | Confident | 85.7 | Confident | 10 Ų | 10 | 63.4 Ų | 63.4 | 10% | 0.103 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -18.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | R27 Y134 | G25-R27 PolarHBondContact O-N 2.85Å; G25-Y134 VanDerWaalsContact O-CE1 3.25Å; G25-Y134 WeakPolarHBondContact O-CE1 3.4Å |
| 26 | C | 64.2 | Low | 85.9 | Confident | 87 Ų | 87 | 58.4 Ų | 58.4 | 59% | 0.588 | 29% | 0.292 | S | S | * | . | trans | -100.7 | 72.4 | -170 | -157.6 | 0 | 0 | 0 | 0 | 112.1 | K28 | C26-K28 PolarHBondContact O-N 2.79Š| ||
| 27 | R | 61.8 | Low | 85.9 | Confident | 136 Ų | 136 | 57.3 Ų | 57.3 | 51% | 0.513 | 29% | 0.286 | S | S | . | . | trans | -65.7 | 12.3 | -174.3 | -80.7 | -172.1 | 174.1 | 153.9 | 1.8 | 117.4 | G25 K29 M49 | G25-R27 PolarHBondContact O-N 2.85Å; R27-K29 PolarHBondContact O-N 2.98Å; R27-M49 PolarHBondContact NH2-O 2.66Å | ||
| 28 | K | 61.3 | Low | 86 | Confident | 189 Ų | 189 | 54.1 Ų | 54.1 | 82% | 0.822 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -72.6 | -18.9 | -158 | -69.2 | -168.5 | 177.5 | 179.7 | 0 | 116.4 | C26 | C26-K28 PolarHBondContact O-N 2.79Š|
| 29 | K | 66.1 | Low | 86 | Confident | 203 Ų | 203 | 55 Ų | 55 | 88% | 0.883 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -146.3 | -13 | -174.7 | -69 | -171.4 | -179.9 | 179.9 | 0 | 117.5 | R27 | R27-K29 PolarHBondContact O-N 2.98Š|
| 30 | I | 73.3 | Confident | 86.1 | Confident | 72 Ų | 72 | 56 Ų | 56 | 37% | 0.369 | 28% | 0.28 | S | S | . | . | trans | -123.1 | 127.3 | -169.5 | -57.5 | 178.4 | 0 | 0 | 0 | 109.2 | L5 Y32 I78 | L5-I30 HydrophobicContact CD2-CD1 4.06Å; I30-Y32 HydrophobicContact CG2-CD1 4.46Å; I30-Y32 WeakPolarHBondContact O-CD1 3.1Å; I30-I78 HydrophobicContact CG2-CD1 3.32Å; I30-I78 HydrophobicContact CG2-CG1 4.41Å | ||
| 31 | L | 80.9 | Confident | 86.2 | Confident | 161 Ų | 161 | 51.1 Ų | 51.1 | 84% | 0.843 | 26% | 0.257 | S | S | * | . | trans | -82.3 | 123.2 | 173.4 | -64.1 | 176.3 | 0 | 0 | 0 | 109.2 | ||||
| 32 | Y | 88.8 | Confident | 86.5 | Confident | 37 Ų | 37 | 50.9 Ų | 50.9 | 15% | 0.145 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 147.6 | 174.1 | 53.5 | -95.2 | 0 | 0 | 0 | 110.7 | V24 I30 I34 I78 I80 | V24-Y32 HydrophobicContact CG1-CE2 4.13Å; V24-Y32 PolarHBondContact O-OH 3.36Å; I30-Y32 HydrophobicContact CG2-CD1 4.46Å; I30-Y32 WeakPolarHBondContact O-CD1 3.1Å; Y32-I34 HydrophobicContact CD2-CD1 4.32Å; Y32-I34 HydrophobicContact CD2-CG1 3.64Å; Y32-I34 HydrophobicContact CE2-CD1 3.8Å; Y32-I34 HydrophobicContact CE2-CG1 3.63Å; Y32-I78 CarbonylContact C-O 3.6Å; Y32-I78 VanDerWaalsContact CA-O 3.24Å; Y32-I78 WeakPolarHBondContact CA-O 3.41Å; Y32-I78 WeakPolarHBondContact CB-O 3.34Å; Y32-I80 HydrophobicContact CD1-CD1 4.48Å; Y32-I80 HydrophobicContact CD2-CD1 3.44Å; Y32-I80 VanDerWaalsContact CD2-CD1 3.44Å; Y32-I80 HydrophobicContact CD2-CG1 4.36Å; Y32-I80 HydrophobicContact CE2-CD1 3.91Å; Y32-I80 HydrophobicContact CG-CD1 3.77Å |
| 33 | S | 92.6 | Very high | 86.8 | Confident | 27 Ų | 27 | 49.8 Ų | 49.8 | 19% | 0.189 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 123.2 | 173.8 | -66.2 | 0 | 0 | 0 | 0 | 108.9 | E77 I78 V79 I80 | S33-E77 PolarHBondContact OG-OE1 3.14Å; S33-I78 PolarHBondContact N-O 3.43Å; S33-V79 WeakPolarHBondContact O-CA 3.45Å; S33-I80 PolarHBondContact O-N 3.28Å |
| 34 | I | 95.8 | Very high | 87.1 | Confident | 4 Ų | 4 | 53.6 Ų | 53.6 | 2% | 0.021 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 123.6 | 177.1 | -45.8 | 166.8 | 0 | 0 | 0 | 108.7 | V24 Y32 I48 A51 I52 I80 Y82 | V24-I34 HydrophobicContact CG1-CD1 3.65Å; V24-I34 HydrophobicContact CG1-CG1 4.3Å; Y32-I34 HydrophobicContact CD2-CD1 4.32Å; Y32-I34 HydrophobicContact CD2-CG1 3.64Å; Y32-I34 HydrophobicContact CE2-CD1 3.8Å; Y32-I34 HydrophobicContact CE2-CG1 3.63Å; I34-I48 HydrophobicContact CD1-CG2 3.83Å; I34-A51 HydrophobicContact CB-CB 4.06Å; I34-A51 HydrophobicContact CG2-CB 4.03Å; I34-A51 CarbonylContact O-C 3.59Å; I34-A51 WeakPolarHBondContact O-CA 3.34Å; I34-I52 PolarHBondContact O-N 3.33Å; I34-I80 CarbonylContact C-O 3.6Å; I34-I80 WeakPolarHBondContact CA-O 3.33Å; I34-Y82 HydrophobicContact CG2-CD1 3.6Å; I34-Y82 HydrophobicContact CG2-CE1 3.46Å; I34-Y82 VanDerWaalsContact CG2-CE1 3.46Å |
| 35 | I | 98.1 | Very high | 87.7 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 114.1 | -179.1 | -52.1 | -55.2 | 0 | 0 | 0 | 109.9 | I52 I54 M64 V79 I80 F81 Y82 | I35-I52 HydrophobicContact CD1-CB 4.31Å; I35-I54 HydrophobicContact CD1-CD1 3.94Å; I35-I54 HydrophobicContact CG2-CB 3.78Å; I35-I54 HydrophobicContact CG2-CD1 4.13Å; I35-I54 HydrophobicContact CG2-CG1 4.11Å; I35-M64 HydrophobicContact CD1-CE 4.35Å; I35-V79 HydrophobicContact CG1-CG1 3.76Å; I35-I80 PolarHBondContact N-O 3.21Å; I35-F81 HydrophobicContact CB-CD1 3.79Å; I35-F81 HydrophobicContact CB-CE1 3.92Å; I35-F81 HydrophobicContact CB-CG 4.46Å; I35-F81 HydrophobicContact CG1-CD1 4.41Å; I35-F81 HydrophobicContact CG1-CE1 4.16Å; I35-F81 HydrophobicContact CG1-CZ 4.48Å; I35-F81 HydrophobicContact CG2-CD1 3.85Å; I35-F81 HydrophobicContact CG2-CE1 3.77Å; I35-Y82 PolarHBondContact O-N 3.13Å |
| 36 | D | 98.7 | Very high | 88.8 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 110.2 | 172.2 | -166.2 | -22.3 | 0 | 0 | 0 | 110 | R38 Y43 A51 I52 N53 I54 Y82 | D36-R38 VanDerWaalsContact C-N 3.3Å; D36-R38 WeakPolarHBondContact OD1-CB 3.43Å; D36-R38 WeakPolarHBondContact OD1-CG 3.34Å; D36-R38 PolarHBondContact OD1-N 2.89Å; D36-R38 IonicContact OD1-NE 3.71Å; D36-R38 PolarHBondContact OD1-NE 3.27Å; D36-R38 VanDerWaalsContact OD1-NE 3.15Å; D36-R38 IonicContact OD2-CZ 3.74Å; D36-R38 IonicContact OD2-NE 3.62Å; D36-R38 PolarHBondContact OD2-NE 3.35Å; D36-R38 VanDerWaalsContact OD2-NE 3.11Å; D36-R38 IonicContact OD2-NH2 2.72Å; D36-R38 PolarHBondContact OD2-NH2 3.19Å; D36-Y43 HydrophobicContact CB-CD2 3.85Å; D36-Y43 HydrophobicContact CB-CE2 4.36Å; D36-A51 HydrophobicContact CB-CB 4.49Å; D36-I52 PolarHBondContact N-O 2.74Å; D36-N53 PolarHBondContact O-ND2 3.27Å; D36-I54 PolarHBondContact O-N 3.26Å; D36-Y82 HydrophobicContact CB-CE1 3.85Å; D36-Y82 HydrophobicContact CB-CE2 3.88Å; D36-Y82 VanDerWaalsContact CB-CZ 3.43Å; D36-Y82 WeakPolarHBondContact CB-OH 3.47Å; D36-Y82 WeakPolarHBondContact OD1-CE2 3.42Å; D36-Y82 WeakPolarHBondContact OD2-CE2 3.48Å; D36-Y82 PolarHBondContact OD2-OH 2.98Å |
| 37 | C | 98.4 | Very high | 90.5 | Very high | 2 Ų | 2 | 50.2 Ų | 50.2 | 1% | 0.014 | 24% | 0.238 | C | C | . | . | trans | -89.4 | 12.6 | 178 | -58.9 | 0 | 0 | 0 | 0 | 114 | I54 Y82 C83 R89 M93 | C37-I54 WeakPolarHBondContact CA-O 3.13Å; C37-Y82 WeakPolarHBondContact CB-O 3.38Å; C37-Y82 PolarHBondContact N-O 3.19Å; C37-C83 HydrophobicContact CB-CB 4.2Å; C37-R89 HydrophobicContact CB-CB 4.2Å; C37-M93 HydrophobicContact CB-CG 4.18Å | ||
| 38 | R | 98.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -79.2 | 166.1 | 172 | -62 | -179.2 | -62.8 | 151.9 | 1.8 | 111.9 | D36 E42 G46 N53 Y55 C83 E84 Y124 | D36-R38 VanDerWaalsContact C-N 3.3Å; D36-R38 WeakPolarHBondContact OD1-CB 3.43Å; D36-R38 WeakPolarHBondContact OD1-CG 3.34Å; D36-R38 PolarHBondContact OD1-N 2.89Å; D36-R38 IonicContact OD1-NE 3.71Å; D36-R38 PolarHBondContact OD1-NE 3.27Å; D36-R38 VanDerWaalsContact OD1-NE 3.15Å; D36-R38 IonicContact OD2-CZ 3.74Å; D36-R38 IonicContact OD2-NE 3.62Å; D36-R38 PolarHBondContact OD2-NE 3.35Å; D36-R38 VanDerWaalsContact OD2-NE 3.11Å; D36-R38 IonicContact OD2-NH2 2.72Å; D36-R38 PolarHBondContact OD2-NH2 3.19Å; R38-E42 HydrophobicContact CB-CB 3.76Å; R38-E42 HydrophobicContact CB-CG 4.34Å; R38-E42 HydrophobicContact CG-CB 4.48Å; R38-E42 PolarHBondContact NH1-O 3.4Å; R38-E42 PolarHBondContact NH2-O 3.4Å; R38-G46 PolarHBondContact NH1-O 2.63Å; R38-G46 PolarHBondContact NH2-O 3.45Å; R38-N53 PolarHBondContact O-ND2 3.39Å; R38-Y55 WeakPolarHBondContact O-CB 3.48Å; R38-C83 HydrophobicContact CG-CB 4.09Å; R38-E84 HydrophobicContact CG-CB 4.49Å; R38-Y124 VanDerWaalsContact CZ-CD1 3.49Å |
| 39 | Y | 98.3 | Very high | 93.8 | Very high | 19 Ų | 19 | 37.5 Ų | 37.5 | 8% | 0.075 | 19% | 0.187 | C | C | . | . | trans | -69 | 156 | 176.2 | -62.9 | -45.6 | 0 | 0 | 0 | 111.8 | Y41 E42 Y43 Y55 M143 L152 F155 R156 | Y39-Y41 VanDerWaalsContact C-N 3.31Å; Y39-Y41 VanDerWaalsContact CB-CE1 3.46Å; Y39-Y41 AromaticContact CD2-CE1 3.86Å; Y39-Y41 HydrophobicContact CD2-CE1 3.86Å; Y39-Y41 WeakPolarHBondContact CD2-OH 3.17Å; Y39-Y41 HydrophobicContact CG-CE1 4.03Å; Y39-Y41 PolarHBondContact O-N 3.1Å; Y39-E42 WeakPolarHBondContact CB-OE2 3.45Å; Y39-E42 VanDerWaalsContact CD2-OE2 3.31Å; Y39-E42 WeakPolarHBondContact CD2-OE2 3.3Å; Y39-E42 PolarHBondContact N-OE2 3.04Å; Y39-E42 WeakPolarHBondContact O-CB 3.46Å; Y39-E42 PolarHBondContact O-N 3.27Å; Y39-Y43 PolarHBondContact O-N 2.71Å; Y39-Y43 VanDerWaalsContact O-N 3.14Å; Y39-Y55 AromaticContact CD1-CD2 3.96Å; Y39-Y55 HydrophobicContact CD1-CD2 3.96Å; Y39-Y55 HydrophobicContact CD1-CG 4.4Å; Y39-Y55 HydrophobicContact CE1-CD2 4.32Å; Y39-M143 HydrophobicContact CD2-CG 4.05Å; Y39-M143 HydrophobicContact CE2-CG 3.97Å; Y39-M143 HydrophobicContact CE2-SD 4Å; Y39-L152 HydrophobicContact CD2-CD1 3.9Å; Y39-L152 HydrophobicContact CE2-CD1 3.44Å; Y39-L152 VanDerWaalsContact CE2-CD1 3.44Å; Y39-F155 HydrophobicContact CD1-CB 3.45Å; Y39-F155 VanDerWaalsContact CD1-CB 3.45Å; Y39-F155 HydrophobicContact CD1-CG 4.17Å; Y39-F155 HydrophobicContact CD2-CB 4.4Å; Y39-F155 HydrophobicContact CE1-CB 3.74Å; Y39-F155 HydrophobicContact CG-CB 3.82Å; Y39-F155 HydrophobicContact CG-CD2 4.32Å; Y39-F155 HydrophobicContact CG-CG 4.31Å; Y39-R156 HydrophobicContact CE2-CG 4.25Å; Y39-R156 VanDerWaalsContact OH-CG 3.29Å; Y39-R156 WeakPolarHBondContact OH-CG 3.44Å | ||
| 40 | P | 98.2 | Very high | 95.1 | Very high | 22 Ų | 22 | 30 Ų | 30 | 14% | 0.143 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -50.7 | -44.6 | -177.4 | -32.8 | 38.1 | 0 | 0 | 0 | 114.3 | E42 Y43 D44 Y55 F155 | P40-E42 VanDerWaalsContact C-N 3.3Å; P40-E42 PolarHBondContact O-N 3.07Å; P40-Y43 CarbonylContact O-C 3.5Å; P40-Y43 WeakPolarHBondContact O-CA 3.41Å; P40-Y43 WeakPolarHBondContact O-CB 3.32Å; P40-Y43 PolarHBondContact O-N 3.44Å; P40-D44 WeakPolarHBondContact O-CB 3.29Å; P40-D44 VanDerWaalsContact O-CG 3.23Å; P40-D44 PolarHBondContact O-N 3.41Å; P40-Y55 HydrophobicContact CG-CD1 3.83Å; P40-Y55 HydrophobicContact CG-CE1 3.59Å; P40-F155 HydrophobicContact CB-CE1 4.37Å; P40-F155 HydrophobicContact CB-CE2 4.24Å; P40-F155 HydrophobicContact CB-CZ 3.81Å; P40-F155 HydrophobicContact CG-CD1 4.26Å; P40-F155 HydrophobicContact CG-CE1 3.62Å; P40-F155 HydrophobicContact CG-CE2 4.17Å; P40-F155 HydrophobicContact CG-CZ 3.56Å |
| 41 | Y | 98.1 | Very high | 96.2 | Very high | 6 Ų | 6 | 26.9 Ų | 26.9 | 2% | 0.024 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -64.1 | -31.2 | 178.6 | 67.2 | -93.2 | 0 | 0 | 0 | 114 | Y39 Y43 G45 V141 M143 H148 E151 L152 F155 | Y39-Y41 VanDerWaalsContact C-N 3.31Å; Y39-Y41 VanDerWaalsContact CB-CE1 3.46Å; Y39-Y41 AromaticContact CD2-CE1 3.86Å; Y39-Y41 HydrophobicContact CD2-CE1 3.86Å; Y39-Y41 WeakPolarHBondContact CD2-OH 3.17Å; Y39-Y41 HydrophobicContact CG-CE1 4.03Å; Y39-Y41 PolarHBondContact O-N 3.1Å; Y41-Y43 VanDerWaalsContact C-N 3.35Å; Y41-G45 PolarHBondContact O-N 3.2Å; Y41-G45 VanDerWaalsContact O-N 3.08Å; Y41-V141 HydrophobicContact CD2-CG1 4.02Å; Y41-V141 HydrophobicContact CE2-CG1 4.47Å; Y41-M143 PolarHBondContact OH-O 3.44Å; Y41-H148 HydrophobicContact CD1-CB 4.29Å; Y41-H148 HydrophobicContact CD2-CB 3.55Å; Y41-H148 AromaticContact CD2-CD2 3.56Å; Y41-H148 AromaticContact CD2-CG 3.46Å; Y41-H148 VanDerWaalsContact CD2-CG 3.46Å; Y41-H148 HydrophobicContact CE1-CB 4.42Å; Y41-H148 HydrophobicContact CE2-CB 3.67Å; Y41-H148 HydrophobicContact CG-CB 3.88Å; Y41-H148 AromaticContact CG-CG 3.76Å; Y41-H148 AromaticContact CG-ND1 4Å; Y41-E151 HydrophobicContact CD1-CB 3.88Å; Y41-E151 HydrophobicContact CE1-CB 4.26Å; Y41-L152 HydrophobicContact CE1-CB 4.49Å; Y41-L152 WeakPolarHBondContact OH-CD1 3.43Å; Y41-F155 AromaticContact CD1-CD2 3.8Å; Y41-F155 HydrophobicContact CD1-CD2 3.8Å; Y41-F155 AromaticContact CD1-CE2 3.79Å; Y41-F155 HydrophobicContact CD1-CE2 3.79Å; Y41-F155 AromaticContact CE1-CD2 3.9Å; Y41-F155 HydrophobicContact CE1-CD2 3.9Å; Y41-F155 HydrophobicContact CE1-CE2 4.36Å |
| 42 | E | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -70.7 | -36.3 | 174.6 | -63.8 | 168.7 | 78.8 | 0 | 0 | 110.9 | R38 Y39 P40 G46 R89 M143 | R38-E42 HydrophobicContact CB-CB 3.76Å; R38-E42 HydrophobicContact CB-CG 4.34Å; R38-E42 HydrophobicContact CG-CB 4.48Å; R38-E42 PolarHBondContact NH1-O 3.4Å; R38-E42 PolarHBondContact NH2-O 3.4Å; Y39-E42 WeakPolarHBondContact CB-OE2 3.45Å; Y39-E42 VanDerWaalsContact CD2-OE2 3.31Å; Y39-E42 WeakPolarHBondContact CD2-OE2 3.3Å; Y39-E42 PolarHBondContact N-OE2 3.04Å; Y39-E42 WeakPolarHBondContact O-CB 3.46Å; Y39-E42 PolarHBondContact O-N 3.27Å; P40-E42 VanDerWaalsContact C-N 3.3Å; P40-E42 PolarHBondContact O-N 3.07Å; E42-G46 VanDerWaalsContact O-O 3.13Å; E42-R89 IonicContact OE1-CZ 3.29Å; E42-R89 IonicContact OE1-NH1 2.83Å; E42-R89 PolarHBondContact OE1-NH1 3.02Å; E42-R89 IonicContact OE1-NH2 2.72Å; E42-R89 PolarHBondContact OE1-NH2 2.91Å; E42-R89 IonicContact OE2-CZ 3.15Å; E42-R89 IonicContact OE2-NH1 3.69Å; E42-R89 PolarHBondContact OE2-NH1 3.32Å; E42-R89 IonicContact OE2-NH2 3.11Å; E42-M143 WeakPolarHBondContact OE1-CB 3.47Å |
| 43 | Y | 98.7 | Very high | 97.5 | Very high | 40 Ų | 40 | 22.1 Ų | 22.1 | 16% | 0.157 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -72 | -53.3 | 177.9 | 172.1 | -88.9 | 0 | 0 | 0 | 110.9 | D36 Y39 P40 Y41 G45 G46 H47 A51 N53 | D36-Y43 HydrophobicContact CB-CD2 3.85Å; D36-Y43 HydrophobicContact CB-CE2 4.36Å; Y39-Y43 PolarHBondContact O-N 2.71Å; Y39-Y43 VanDerWaalsContact O-N 3.14Å; P40-Y43 CarbonylContact O-C 3.5Å; P40-Y43 WeakPolarHBondContact O-CA 3.41Å; P40-Y43 WeakPolarHBondContact O-CB 3.32Å; P40-Y43 PolarHBondContact O-N 3.44Å; Y41-Y43 VanDerWaalsContact C-N 3.35Å; Y43-G45 PolarHBondContact O-N 3.06Å; Y43-G46 CarbonylContact O-C 3.58Å; Y43-G46 VanDerWaalsContact O-C 3.25Å; Y43-G46 WeakPolarHBondContact O-CA 3.13Å; Y43-G46 PolarHBondContact O-N 3.24Å; Y43-H47 AromaticContact CD1-ND1 3.78Å; Y43-H47 HydrophobicContact CD2-CB 3.42Å; Y43-H47 VanDerWaalsContact CD2-CB 3.42Å; Y43-H47 AromaticContact CD2-CG 3.47Å; Y43-H47 VanDerWaalsContact CD2-CG 3.47Å; Y43-H47 AromaticContact CD2-ND1 3.75Å; Y43-H47 AromaticContact CE1-CE1 3.51Å; Y43-H47 AromaticContact CE1-ND1 3.64Å; Y43-H47 AromaticContact CE1-NE2 3.89Å; Y43-H47 HydrophobicContact CE2-CB 3.64Å; Y43-H47 AromaticContact CE2-CD2 3.32Å; Y43-H47 WeakPolarHBondContact CE2-CD2 3.43Å; Y43-H47 AromaticContact CE2-CE1 3.95Å; Y43-H47 AromaticContact CE2-CG 3.27Å; Y43-H47 AromaticContact CE2-ND1 3.66Å; Y43-H47 AromaticContact CE2-NE2 3.77Å; Y43-H47 HydrophobicContact CG-CB 4.11Å; Y43-H47 AromaticContact CG-ND1 3.81Å; Y43-H47 AromaticContact CZ-CD2 3.44Å; Y43-H47 VanDerWaalsContact CZ-CD2 3.44Å; Y43-H47 AromaticContact CZ-CE1 3.44Å; Y43-H47 VanDerWaalsContact CZ-CE1 3.44Å; Y43-H47 AromaticContact CZ-CG 3.61Å; Y43-H47 AromaticContact CZ-ND1 3.58Å; Y43-H47 AromaticContact CZ-NE2 3.34Å; Y43-H47 VanDerWaalsContact CZ-NE2 3.34Å; Y43-H47 PolarHBondContact O-ND1 2.98Å; Y43-H47 PolarHBondContact OH-NE2 2.92Å; Y43-H47 VanDerWaalsContact OH-NE2 3.16Å; Y43-A51 HydrophobicContact CE2-CB 4.34Å; Y43-A51 PolarHBondContact OH-O 3.14Å; Y43-N53 HydrophobicContact CD1-CB 3.88Å; Y43-N53 HydrophobicContact CD2-CB 3.67Å; Y43-N53 HydrophobicContact CE1-CB 4.14Å; Y43-N53 HydrophobicContact CE2-CB 3.89Å; Y43-N53 HydrophobicContact CG-CB 3.65Å |
| 44 | D | 98.3 | Very high | 97.7 | Very high | 105 Ų | 105 | 20.9 Ų | 20.9 | 56% | 0.561 | 12% | 0.122 | S | C | * | . | H | α-helix | trans | -59.8 | -33.3 | 178.7 | -63.5 | -28 | 0 | 0 | 0 | 111.2 | P40 G46 P137 | P40-D44 WeakPolarHBondContact O-CB 3.29Å; P40-D44 VanDerWaalsContact O-CG 3.23Å; P40-D44 PolarHBondContact O-N 3.41Å; D44-G46 PolarHBondContact O-N 2.88Å; D44-P137 WeakPolarHBondContact O-CD 3.19Å; D44-P137 WeakPolarHBondContact O-CG 3.34Å |
| 45 | G | 98.2 | Very high | 97.8 | Very high | 15 Ų | 15 | 21.6 Ų | 21.6 | 16% | 0.155 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y41 Y43 N139 | Y41-G45 PolarHBondContact O-N 3.2Å; Y41-G45 VanDerWaalsContact O-N 3.08Å; Y43-G45 PolarHBondContact O-N 3.06Å; G45-N139 CarbonylContact O-C 3.5Å; G45-N139 WeakPolarHBondContact O-CB 3.3Å; G45-N139 PolarHBondContact O-ND2 3.2Å; G45-N139 VanDerWaalsContact O-ND2 3.14Å |
| 46 | G | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 13% | 0.125 | C | C | . | . | trans | 143.6 | 125.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | R38 E42 Y43 D44 Y124 P137 N139 | R38-G46 PolarHBondContact NH1-O 2.63Å; R38-G46 PolarHBondContact NH2-O 3.45Å; E42-G46 VanDerWaalsContact O-O 3.13Å; Y43-G46 CarbonylContact O-C 3.58Å; Y43-G46 VanDerWaalsContact O-C 3.25Å; Y43-G46 WeakPolarHBondContact O-CA 3.13Å; Y43-G46 PolarHBondContact O-N 3.24Å; D44-G46 PolarHBondContact O-N 2.88Å; G46-Y124 VanDerWaalsContact C-OH 3.28Å; G46-Y124 WeakPolarHBondContact O-CE1 3.49Å; G46-Y124 VanDerWaalsContact O-CZ 3.31Å; G46-Y124 PolarHBondContact O-OH 3.03Å; G46-P137 WeakPolarHBondContact CA-O 3.44Å; G46-N139 WeakPolarHBondContact CA-O 3.32Å | ||
| 47 | H | 98.5 | Very high | 97.5 | Very high | 17 Ų | 17 | 22.2 Ų | 22.2 | 8% | 0.079 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 169.1 | -179.1 | 54.3 | -86.8 | 0 | 0 | 0 | 111.5 | Y43 M49 Y124 C135 E136 | Y43-H47 AromaticContact CD1-ND1 3.78Å; Y43-H47 HydrophobicContact CD2-CB 3.42Å; Y43-H47 VanDerWaalsContact CD2-CB 3.42Å; Y43-H47 AromaticContact CD2-CG 3.47Å; Y43-H47 VanDerWaalsContact CD2-CG 3.47Å; Y43-H47 AromaticContact CD2-ND1 3.75Å; Y43-H47 AromaticContact CE1-CE1 3.51Å; Y43-H47 AromaticContact CE1-ND1 3.64Å; Y43-H47 AromaticContact CE1-NE2 3.89Å; Y43-H47 HydrophobicContact CE2-CB 3.64Å; Y43-H47 AromaticContact CE2-CD2 3.32Å; Y43-H47 WeakPolarHBondContact CE2-CD2 3.43Å; Y43-H47 AromaticContact CE2-CE1 3.95Å; Y43-H47 AromaticContact CE2-CG 3.27Å; Y43-H47 AromaticContact CE2-ND1 3.66Å; Y43-H47 AromaticContact CE2-NE2 3.77Å; Y43-H47 HydrophobicContact CG-CB 4.11Å; Y43-H47 AromaticContact CG-ND1 3.81Å; Y43-H47 AromaticContact CZ-CD2 3.44Å; Y43-H47 VanDerWaalsContact CZ-CD2 3.44Å; Y43-H47 AromaticContact CZ-CE1 3.44Å; Y43-H47 VanDerWaalsContact CZ-CE1 3.44Å; Y43-H47 AromaticContact CZ-CG 3.61Å; Y43-H47 AromaticContact CZ-ND1 3.58Å; Y43-H47 AromaticContact CZ-NE2 3.34Å; Y43-H47 VanDerWaalsContact CZ-NE2 3.34Å; Y43-H47 PolarHBondContact O-ND1 2.98Å; Y43-H47 PolarHBondContact OH-NE2 2.92Å; Y43-H47 VanDerWaalsContact OH-NE2 3.16Å; H47-M49 PolarHBondContact O-N 3.33Å; H47-Y124 PolarHBondContact N-OH 2.91Å; H47-C135 CarbonylContact O-C 3.57Å; H47-C135 WeakPolarHBondContact O-CA 3.26Å; H47-C135 WeakPolarHBondContact O-CB 3.49Å; H47-E136 PolarHBondContact CE1-O 2.88Å; H47-E136 PolarHBondContact N-O 2.69Å; H47-E136 PolarHBondContact ND1-O 2.99Å; H47-E136 PolarHBondContact NE2-O 3.49Å; H47-E136 PolarHBondContact O-N 2.77Å |
| 48 | I | 97.5 | Very high | 97.3 | Very high | 4 Ų | 4 | 24.3 Ų | 24.3 | 2% | 0.021 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 131 | 173.7 | -53.1 | -179.1 | 0 | 0 | 0 | 108.2 | V24 I34 G50 A51 Y82 L120 Y124 F127 | V24-I48 HydrophobicContact CG1-CD1 4.26Å; V24-I48 HydrophobicContact CG1-CG2 4.01Å; I34-I48 HydrophobicContact CD1-CG2 3.83Å; I48-G50 PolarHBondContact O-N 2.96Å; I48-A51 HydrophobicContact CB-CB 4.41Å; I48-A51 WeakPolarHBondContact O-CB 3.24Å; I48-A51 PolarHBondContact O-N 3.16Å; I48-Y82 HydrophobicContact CB-CE1 4.36Å; I48-Y82 HydrophobicContact CD1-CD1 4.01Å; I48-Y82 HydrophobicContact CD1-CE1 3.73Å; I48-Y82 HydrophobicContact CG1-CE1 4Å; I48-Y82 PolarHBondContact N-OH 3.07Å; I48-L120 HydrophobicContact CD1-CD2 3.63Å; I48-Y124 HydrophobicContact CG1-CD2 3.86Å; I48-Y124 HydrophobicContact CG1-CE2 3.95Å; I48-F127 HydrophobicContact CB-CE1 4.39Å; I48-F127 HydrophobicContact CD1-CD1 3.99Å; I48-F127 HydrophobicContact CD1-CD2 3.98Å; I48-F127 HydrophobicContact CD1-CE1 4.02Å; I48-F127 HydrophobicContact CD1-CE2 4.03Å; I48-F127 HydrophobicContact CD1-CG 3.98Å; I48-F127 HydrophobicContact CD1-CZ 4.04Å; I48-F127 HydrophobicContact CG1-CD1 3.8Å; I48-F127 HydrophobicContact CG1-CE1 3.68Å; I48-F127 HydrophobicContact CG1-CG 4.3Å; I48-F127 HydrophobicContact CG1-CZ 4.08Å; I48-F127 HydrophobicContact CG2-CE1 4.16Å; I48-F127 HydrophobicContact CG2-CZ 3.97Å |
| 49 | M | 95.6 | Very high | 97.1 | Very high | 53 Ų | 53 | 26.6 Ų | 26.6 | 26% | 0.261 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.2 | 136.1 | -177.3 | -70 | -175.6 | -55.3 | 0 | 0 | 111.4 | R27 H47 A51 Y134 E136 | R27-M49 PolarHBondContact NH2-O 2.66Å; H47-M49 PolarHBondContact O-N 3.33Å; M49-A51 PolarHBondContact O-N 3.46Å; M49-Y134 HydrophobicContact CE-CD1 4.01Å; M49-Y134 WeakPolarHBondContact CG-O 3.46Å; M49-Y134 PolarHBondContact N-O 2.89Å; M49-E136 VanDerWaalsContact CA-OE1 3.24Å; M49-E136 WeakPolarHBondContact CA-OE1 3.44Å; M49-E136 HydrophobicContact CB-CG 4.4Å; M49-E136 HydrophobicContact CG-CB 4.02Å; M49-E136 HydrophobicContact CG-CG 3.9Å |
| 50 | G | 93.8 | Very high | 97 | Very high | 47 Ų | 47 | 25.7 Ų | 25.7 | 49% | 0.485 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65 | 12.6 | -179 | 0 | 0 | 0 | 0 | 0 | 115.9 | I48 E136 | I48-G50 PolarHBondContact O-N 2.96Å; G50-E136 PolarHBondContact N-OE1 2.73Å |
| 51 | A | 96.8 | Very high | 96.7 | Very high | 5 Ų | 5 | 27 Ų | 27 | 4% | 0.041 | 15% | 0.148 | C | C | . | . | trans | -69.3 | 153.3 | 166.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | I34 D36 Y43 I48 M49 Y82 | I34-A51 HydrophobicContact CB-CB 4.06Å; I34-A51 HydrophobicContact CG2-CB 4.03Å; I34-A51 CarbonylContact O-C 3.59Å; I34-A51 WeakPolarHBondContact O-CA 3.34Å; D36-A51 HydrophobicContact CB-CB 4.49Å; Y43-A51 HydrophobicContact CE2-CB 4.34Å; Y43-A51 PolarHBondContact OH-O 3.14Å; I48-A51 HydrophobicContact CB-CB 4.41Å; I48-A51 WeakPolarHBondContact O-CB 3.24Å; I48-A51 PolarHBondContact O-N 3.16Å; M49-A51 PolarHBondContact O-N 3.46Å; A51-Y82 HydrophobicContact CB-CE1 4.02Å | ||
| 52 | I | 97.3 | Very high | 96.4 | Very high | 67 Ų | 67 | 32.9 Ų | 32.9 | 34% | 0.344 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 124.4 | 175.6 | -54.2 | 172.7 | 0 | 0 | 0 | 107.8 | I34 I35 D36 I54 | I34-I52 PolarHBondContact O-N 3.33Å; I35-I52 HydrophobicContact CD1-CB 4.31Å; D36-I52 PolarHBondContact N-O 2.74Å; I52-I54 HydrophobicContact CG2-CD1 4.23Å; I52-I54 HydrophobicContact CG2-CG1 3.95Å; I52-I54 PolarHBondContact O-N 2.73Å |
| 53 | N | 98.5 | Very high | 96 | Very high | 32 Ų | 32 | 34.9 Ų | 34.9 | 17% | 0.171 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 114.6 | 176.2 | -172.6 | -114.3 | 0 | 0 | 0 | 111.5 | D36 R38 Y43 | D36-N53 PolarHBondContact O-ND2 3.27Å; R38-N53 PolarHBondContact O-ND2 3.39Å; Y43-N53 HydrophobicContact CD1-CB 3.88Å; Y43-N53 HydrophobicContact CD2-CB 3.67Å; Y43-N53 HydrophobicContact CE1-CB 4.14Å; Y43-N53 HydrophobicContact CE2-CB 3.89Å; Y43-N53 HydrophobicContact CG-CB 3.65Å |
| 54 | I | 97.9 | Very high | 95.6 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | trans | -137 | 100.9 | 176.5 | -55.5 | -173.8 | 0 | 0 | 0 | 108.5 | I35 D36 C37 I52 Q59 L60 V63 M93 | I35-I54 HydrophobicContact CD1-CD1 3.94Å; I35-I54 HydrophobicContact CG2-CB 3.78Å; I35-I54 HydrophobicContact CG2-CD1 4.13Å; I35-I54 HydrophobicContact CG2-CG1 4.11Å; D36-I54 PolarHBondContact O-N 3.26Å; C37-I54 WeakPolarHBondContact CA-O 3.13Å; I52-I54 HydrophobicContact CG2-CD1 4.23Å; I52-I54 HydrophobicContact CG2-CG1 3.95Å; I52-I54 PolarHBondContact O-N 2.73Å; I54-Q59 HydrophobicContact CG2-CB 3.7Å; I54-L60 HydrophobicContact CD1-CD1 4.29Å; I54-L60 HydrophobicContact CG2-CB 3.69Å; I54-L60 HydrophobicContact CG2-CD1 4.26Å; I54-V63 HydrophobicContact CD1-CB 3.99Å; I54-V63 HydrophobicContact CD1-CG1 4.04Å; I54-V63 HydrophobicContact CD1-CG2 4.37Å; I54-M93 HydrophobicContact CG2-CE 4.01Å | ||
| 55 | Y | 96.7 | Very high | 95 | Very high | 19 Ų | 19 | 28.4 Ų | 28.4 | 8% | 0.075 | 16% | 0.156 | C | C | . | . | trans | -107.3 | -7.1 | -173.5 | 72.5 | -85.1 | 0 | 0 | 0 | 113.8 | R38 Y39 P40 Q59 F155 K158 | R38-Y55 WeakPolarHBondContact O-CB 3.48Å; Y39-Y55 AromaticContact CD1-CD2 3.96Å; Y39-Y55 HydrophobicContact CD1-CD2 3.96Å; Y39-Y55 HydrophobicContact CD1-CG 4.4Å; Y39-Y55 HydrophobicContact CE1-CD2 4.32Å; P40-Y55 HydrophobicContact CG-CD1 3.83Å; P40-Y55 HydrophobicContact CG-CE1 3.59Å; Y55-Q59 VanDerWaalsContact N-OE1 3.08Å; Y55-F155 HydrophobicContact CE2-CB 4.37Å; Y55-F155 AromaticContact CE2-CD1 3.66Å; Y55-F155 HydrophobicContact CE2-CD1 3.66Å; Y55-F155 HydrophobicContact CE2-CE1 4.4Å; Y55-F155 HydrophobicContact CE2-CG 4.38Å; Y55-F155 AromaticContact CZ-CD1 3.71Å; Y55-F155 AromaticContact CZ-CE1 3.99Å; Y55-K158 HydrophobicContact CE2-CD 4.37Å; Y55-K158 WeakPolarHBondContact OH-CD 3.32Å; Y55-K158 WeakPolarHBondContact OH-CE 3.14Å; Y55-K158 PolarHBondContact OH-NZ 2.86Å | ||
| 56 | T | 96.3 | Very high | 94.4 | Very high | 2 Ų | 2 | 32 Ų | 32 | 1% | 0.012 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -123.2 | 155.2 | 175.5 | 90.3 | 0 | 0 | 0 | 0 | 112.8 | E58 Q59 L60 M93 K158 | T56-E58 VanDerWaalsContact C-N 3.25Å; T56-E58 WeakPolarHBondContact CB-OE2 3.45Å; T56-E58 PolarHBondContact O-N 3.22Å; T56-E58 PolarHBondContact OG1-OE2 2.77Å; T56-Q59 PolarHBondContact O-N 3.08Å; T56-Q59 PolarHBondContact OG1-N 2.72Å; T56-L60 PolarHBondContact O-N 2.72Å; T56-L60 VanDerWaalsContact O-N 3.14Å; T56-M93 VanDerWaalsContact C-CE 3.49Å; T56-M93 WeakPolarHBondContact O-CE 3.49Å; T56-K158 HydrophobicContact CG2-CG 4.28Å |
| 57 | K | 95.5 | Very high | 93.1 | Very high | 10 Ų | 10 | 37 Ų | 37 | 4% | 0.043 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.9 | -34.6 | 179.8 | -74.7 | 179.7 | 173.9 | -179.9 | 0 | 111.1 | L60 H61 M93 Y96 D168 | K57-L60 WeakPolarHBondContact O-CB 3.43Å; K57-L60 PolarHBondContact O-N 3.4Å; K57-H61 PolarHBondContact O-N 3.11Å; K57-M93 HydrophobicContact CG-SD 4.1Å; K57-Y96 HydrophobicContact CB-CD1 4.25Å; K57-Y96 HydrophobicContact CB-CE1 3.92Å; K57-Y96 HydrophobicContact CB-CE2 4.25Å; K57-Y96 HydrophobicContact CD-CD2 3.68Å; K57-Y96 HydrophobicContact CD-CE2 3.86Å; K57-Y96 HydrophobicContact CD-CG 4.08Å; K57-Y96 HydrophobicContact CG-CD1 4.1Å; K57-Y96 HydrophobicContact CG-CD2 4.06Å; K57-Y96 HydrophobicContact CG-CE1 4.26Å; K57-Y96 HydrophobicContact CG-CE2 4.23Å; K57-Y96 HydrophobicContact CG-CG 3.97Å; K57-D168 IonicContact NZ-OD1 3.6Å; K57-D168 PolarHBondContact NZ-OD1 3.05Å |
| 58 | E | 93.6 | Very high | 91.1 | Very high | 46 Ų | 46 | 47.8 Ų | 47.8 | 22% | 0.215 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.2 | -49.7 | 178.3 | -56.6 | 87.3 | 161.3 | 0 | 0 | 111.1 | T56 L60 H61 E62 S161 W162 | T56-E58 VanDerWaalsContact C-N 3.25Å; T56-E58 WeakPolarHBondContact CB-OE2 3.45Å; T56-E58 PolarHBondContact O-N 3.22Å; T56-E58 PolarHBondContact OG1-OE2 2.77Å; E58-L60 VanDerWaalsContact C-N 3.27Å; E58-L60 PolarHBondContact O-N 3.02Å; E58-H61 PolarHBondContact O-N 3.15Å; E58-E62 WeakPolarHBondContact O-CB 3.14Å; E58-E62 PolarHBondContact O-N 2.85Å; E58-S161 PolarHBondContact OE1-OG 3.14Å; E58-W162 VanDerWaalsContact CD-CD1 3.44Å; E58-W162 HydrophobicContact CG-CB 4.44Å; E58-W162 HydrophobicContact CG-CD2 4.27Å; E58-W162 HydrophobicContact CG-CG 3.77Å; E58-W162 WeakPolarHBondContact OE1-CB 3.5Å; E58-W162 VanDerWaalsContact OE1-CG 3.24Å |
| 59 | Q | 95.2 | Very high | 89.1 | Confident | 48 Ų | 48 | 56.1 Ų | 56.1 | 22% | 0.224 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.5 | -40.7 | 174.1 | -66.9 | 176.7 | -56.8 | 0 | 0 | 111.2 | I54 Y55 T56 H61 E62 V63 | I54-Q59 HydrophobicContact CG2-CB 3.7Å; Y55-Q59 VanDerWaalsContact N-OE1 3.08Å; T56-Q59 PolarHBondContact O-N 3.08Å; T56-Q59 PolarHBondContact OG1-N 2.72Å; Q59-H61 VanDerWaalsContact C-N 3.34Å; Q59-H61 PolarHBondContact O-N 3.16Å; Q59-E62 PolarHBondContact O-N 2.65Å; Q59-V63 VanDerWaalsContact O-CB 3.31Å; Q59-V63 WeakPolarHBondContact O-CB 3.4Å; Q59-V63 WeakPolarHBondContact O-CG2 3.39Å; Q59-V63 PolarHBondContact O-N 3.23Å |
| 60 | L | 94.7 | Very high | 87.1 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.7 | -40.6 | 178.7 | -175.8 | 61.4 | 0 | 0 | 0 | 111.9 | I54 T56 K57 E58 M64 F81 M93 Y96 L97 | I54-L60 HydrophobicContact CD1-CD1 4.29Å; I54-L60 HydrophobicContact CG2-CB 3.69Å; I54-L60 HydrophobicContact CG2-CD1 4.26Å; T56-L60 PolarHBondContact O-N 2.72Å; T56-L60 VanDerWaalsContact O-N 3.14Å; K57-L60 WeakPolarHBondContact O-CB 3.43Å; K57-L60 PolarHBondContact O-N 3.4Å; E58-L60 VanDerWaalsContact C-N 3.27Å; E58-L60 PolarHBondContact O-N 3.02Å; L60-M64 HydrophobicContact CD1-CB 4.43Å; L60-M64 HydrophobicContact CD1-CG 3.59Å; L60-M64 VanDerWaalsContact O-CB 3.26Å; L60-M64 WeakPolarHBondContact O-CB 3.38Å; L60-M64 PolarHBondContact O-N 2.88Å; L60-F81 HydrophobicContact CD1-CE1 4.06Å; L60-F81 HydrophobicContact CD1-CZ 4.11Å; L60-F81 HydrophobicContact CD2-CE1 4.21Å; L60-F81 HydrophobicContact CD2-CZ 4.32Å; L60-M93 HydrophobicContact CB-CE 3.51Å; L60-M93 HydrophobicContact CD2-CB 4.11Å; L60-M93 HydrophobicContact CD2-CE 3.5Å; L60-M93 VanDerWaalsContact CD2-CE 3.5Å; L60-M93 WeakPolarHBondContact CD2-O 3.41Å; L60-M93 HydrophobicContact CD2-SD 4.31Å; L60-M93 HydrophobicContact CG-CE 4.07Å; L60-Y96 HydrophobicContact CD2-CD1 3.73Å; L60-Y96 HydrophobicContact CD2-CE1 4.41Å; L60-Y96 HydrophobicContact CG-CD1 4.43Å; L60-L97 HydrophobicContact CD2-CB 4.17Å |
| 61 | H | 92.4 | Very high | 85.1 | Confident | 49 Ų | 49 | 58.5 Ų | 58.5 | 23% | 0.227 | 28% | 0.278 | C | S | . | . | I | π-helix | trans | -63.5 | -50.2 | 175.8 | -171.1 | -73.8 | 0 | 0 | 0 | 111.4 | K57 E58 Q59 V63 L65 D66 | K57-H61 PolarHBondContact O-N 3.11Å; E58-H61 PolarHBondContact O-N 3.15Å; Q59-H61 VanDerWaalsContact C-N 3.34Å; Q59-H61 PolarHBondContact O-N 3.16Å; H61-V63 PolarHBondContact O-N 3.32Å; H61-L65 HydrophobicContact CB-CD1 4.34Å; H61-L65 WeakPolarHBondContact O-CA 3.42Å; H61-L65 VanDerWaalsContact O-CB 3.3Å; H61-L65 WeakPolarHBondContact O-CB 3.17Å; H61-L65 PolarHBondContact O-N 2.97Å; H61-D66 IonicContact CE1-OD1 3.08Å; H61-D66 PolarHBondContact CE1-OD1 3.25Å; H61-D66 IonicContact CE1-OD2 3.55Å; H61-D66 IonicContact ND1-OD1 3.3Å; H61-D66 PolarHBondContact ND1-OD1 3.24Å; H61-D66 IonicContact ND1-OD2 2.92Å; H61-D66 PolarHBondContact ND1-OD2 2.85Å; H61-D66 PolarHBondContact O-N 2.97Å |
| 62 | E | 91.8 | Very high | 83 | Confident | 130 Ų | 130 | 63.1 Ų | 63.1 | 61% | 0.607 | 30% | 0.302 | S | S | * | . | I | π-helix | trans | -59.7 | -49.6 | 179.5 | -176.7 | -179.6 | -173.5 | 0 | 0 | 111.7 | E58 Q59 D66 | E58-E62 WeakPolarHBondContact O-CB 3.14Å; E58-E62 PolarHBondContact O-N 2.85Å; Q59-E62 PolarHBondContact O-N 2.65Å; E62-D66 WeakPolarHBondContact CA-OD2 3.32Å |
| 63 | V | 90.7 | Very high | 80.8 | Confident | 42 Ų | 42 | 62.9 Ų | 62.9 | 26% | 0.255 | 31% | 0.305 | S | S | . | . | I | π-helix | trans | -76.4 | -35.1 | -173.3 | -177.9 | 0 | 0 | 0 | 0 | 112 | I54 Q59 H61 R67 | I54-V63 HydrophobicContact CD1-CB 3.99Å; I54-V63 HydrophobicContact CD1-CG1 4.04Å; I54-V63 HydrophobicContact CD1-CG2 4.37Å; Q59-V63 VanDerWaalsContact O-CB 3.31Å; Q59-V63 WeakPolarHBondContact O-CB 3.4Å; Q59-V63 WeakPolarHBondContact O-CG2 3.39Å; Q59-V63 PolarHBondContact O-N 3.23Å; H61-V63 PolarHBondContact O-N 3.32Å; V63-R67 VanDerWaalsContact O-CD 3.27Å; V63-R67 WeakPolarHBondContact O-CD 3.01Å; V63-R67 WeakPolarHBondContact O-CG 3.32Å; V63-R67 PolarHBondContact O-NE 2.71Å |
| 64 | M | 89.6 | Confident | 78.8 | Confident | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 34% | 0.34 | C | S | . | . | I | π-helix | trans | -101.2 | -42 | -175.7 | -60.3 | -76.5 | 105.4 | 0 | 0 | 112.9 | I35 L60 L97 R113 Y114 | I35-M64 HydrophobicContact CD1-CE 4.35Å; L60-M64 HydrophobicContact CD1-CB 4.43Å; L60-M64 HydrophobicContact CD1-CG 3.59Å; L60-M64 VanDerWaalsContact O-CB 3.26Å; L60-M64 WeakPolarHBondContact O-CB 3.38Å; L60-M64 PolarHBondContact O-N 2.88Å; M64-L97 HydrophobicContact CB-CD1 4.04Å; M64-L97 HydrophobicContact CG-CD1 4.48Å; M64-R113 VanDerWaalsContact O-CZ 3.32Å; M64-R113 PolarHBondContact O-NH1 3.11Å; M64-Y114 HydrophobicContact CB-CE2 4.26Å; M64-Y114 PolarHBondContact O-OH 3.39Å; M64-Y114 HydrophobicContact SD-CE1 4.44Å |
| 65 | L | 85.9 | Confident | 76.9 | Confident | 9 Ų | 9 | 74.3 Ų | 74.3 | 5% | 0.047 | 37% | 0.367 | C | S | . | . | I | π-helix | trans | -95.8 | -37.8 | -167.1 | -52.3 | 174.1 | 0 | 0 | 0 | 113 | H61 R67 L97 M100 M104 R113 Y114 | H61-L65 HydrophobicContact CB-CD1 4.34Å; H61-L65 WeakPolarHBondContact O-CA 3.42Å; H61-L65 VanDerWaalsContact O-CB 3.3Å; H61-L65 WeakPolarHBondContact O-CB 3.17Å; H61-L65 PolarHBondContact O-N 2.97Å; L65-R67 PolarHBondContact O-N 3.17Å; L65-L97 HydrophobicContact CD2-CD1 3.73Å; L65-L97 HydrophobicContact CG-CD1 4.35Å; L65-M100 HydrophobicContact CD1-CB 3.41Å; L65-M100 VanDerWaalsContact CD1-CB 3.41Å; L65-M100 HydrophobicContact CD1-CG 3.93Å; L65-M104 HydrophobicContact CB-CE 4.12Å; L65-M104 HydrophobicContact CB-SD 4.09Å; L65-M104 HydrophobicContact CD2-CE 3.31Å; L65-M104 HydrophobicContact CD2-SD 4.33Å; L65-M104 HydrophobicContact CG-CE 4.17Å; L65-R113 PolarHBondContact O-NH1 2.97Å; L65-R113 VanDerWaalsContact O-NH1 3.08Å; L65-Y114 HydrophobicContact CD2-CE2 3.99Å |
| 66 | D | 85.3 | Confident | 75.7 | Confident | 92 Ų | 92 | 82 Ų | 82 | 49% | 0.492 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -74.9 | -7.5 | -178.4 | -67.7 | -36.6 | 0 | 0 | 0 | 113.9 | H61 E62 R68 | H61-D66 IonicContact CE1-OD1 3.08Å; H61-D66 PolarHBondContact CE1-OD1 3.25Å; H61-D66 IonicContact CE1-OD2 3.55Å; H61-D66 IonicContact ND1-OD1 3.3Å; H61-D66 PolarHBondContact ND1-OD1 3.24Å; H61-D66 IonicContact ND1-OD2 2.92Å; H61-D66 PolarHBondContact ND1-OD2 2.85Å; H61-D66 PolarHBondContact O-N 2.97Å; E62-D66 WeakPolarHBondContact CA-OD2 3.32Å; D66-R68 PolarHBondContact O-N 3.21Å |
| 67 | R | 71 | Confident | 75.1 | Confident | 105 Ų | 105 | 83.6 Ų | 83.6 | 40% | 0.396 | 40% | 0.403 | S | S | . | . | trans | -61.8 | 99.5 | 170.8 | -72.8 | -175.3 | -173.9 | -161.5 | 1.8 | 110.2 | V63 L65 E69 R113 | V63-R67 VanDerWaalsContact O-CD 3.27Å; V63-R67 WeakPolarHBondContact O-CD 3.01Å; V63-R67 WeakPolarHBondContact O-CG 3.32Å; V63-R67 PolarHBondContact O-NE 2.71Å; L65-R67 PolarHBondContact O-N 3.17Å; R67-E69 PolarHBondContact O-N 3.19Å; R67-R113 PolarHBondContact O-NH1 3.45Å; R67-R113 PolarHBondContact O-NH2 3.45Å | ||
| 68 | R | 58 | Low | 75 | Confident | 242 Ų | 242 | 83.3 Ų | 83.3 | 91% | 0.913 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -25.2 | 175.9 | -75.5 | -178.2 | 171.7 | 179.8 | -2.5 | 113.9 | D66 | D66-R68 PolarHBondContact O-N 3.21Š|
| 69 | E | 55.4 | Low | 75 | Confident | 179 Ų | 179 | 81.1 Ų | 81.1 | 84% | 0.836 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.5 | -3.6 | -161.4 | -68.9 | 164.3 | -169.9 | 0 | 0 | 115.4 | R67 S71 | R67-E69 PolarHBondContact O-N 3.19Å; E69-S71 PolarHBondContact O-N 2.81Å |
| 70 | L | 53.5 | Low | 75.1 | Confident | 69 Ų | 69 | 78.9 Ų | 78.9 | 36% | 0.361 | 38% | 0.381 | S | S | . | . | trans | -72.3 | 84.7 | 157.6 | -56 | -178.9 | 0 | 0 | 0 | 104.8 | E77 | L70-E77 WeakPolarHBondContact CD1-OE2 3.49Š| ||
| 71 | S | 50.7 | Low | 75.3 | Confident | 82 Ų | 82 | 78.9 Ų | 78.9 | 57% | 0.573 | 38% | 0.381 | S | S | * | . | trans | -40.7 | 152.5 | 153.6 | 76.5 | 0 | 0 | 0 | 0 | 106.3 | E69 S73 | E69-S71 PolarHBondContact O-N 2.81Å; S71-S73 WeakPolarHBondContact O-CA 3.44Å; S71-S73 VanDerWaalsContact O-CB 3.26Å; S71-S73 WeakPolarHBondContact O-CB 3.25Å; S71-S73 PolarHBondContact O-N 3.18Å; S71-S73 PolarHBondContact OG-N 3.36Å | ||
| 72 | L | 53 | Low | 75.6 | Confident | 102 Ų | 102 | 76.6 Ų | 76.6 | 53% | 0.534 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -63.9 | 28.9 | 172.4 | -63.8 | 162.3 | 0 | 0 | 0 | 112.1 | E74 | L72-E74 PolarHBondContact O-N 2.57Š|
| 73 | S | 51.2 | Low | 75.9 | Confident | 61 Ų | 61 | 70.6 Ų | 70.6 | 43% | 0.427 | 34% | 0.343 | S | S | . | . | trans | -13.5 | 114.2 | 150.9 | 178.9 | 0 | 0 | 0 | 0 | 109.1 | S71 S75 | S71-S73 WeakPolarHBondContact O-CA 3.44Å; S71-S73 VanDerWaalsContact O-CB 3.26Å; S71-S73 WeakPolarHBondContact O-CB 3.25Å; S71-S73 PolarHBondContact O-N 3.18Å; S71-S73 PolarHBondContact OG-N 3.36Å; S73-S75 PolarHBondContact O-N 2.9Å; S73-S75 WeakPolarHBondContact OG-CB 3.47Å; S73-S75 PolarHBondContact OG-N 2.81Å; S73-S75 PolarHBondContact OG-OG 3.25Å | ||
| 74 | E | 55.9 | Low | 76.3 | Confident | 193 Ų | 193 | 69 Ų | 69 | 90% | 0.902 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -58.9 | -8 | 179.8 | -57.9 | 179.4 | 148 | 0 | 0 | 112.1 | L72 R76 | L72-E74 PolarHBondContact O-N 2.57Å; E74-R76 PolarHBondContact O-N 3.37Å |
| 75 | S | 57.8 | Low | 76.7 | Confident | 80 Ų | 80 | 73.3 Ų | 73.3 | 56% | 0.559 | 35% | 0.349 | S | S | * | . | trans | -62.1 | 102 | 168.9 | 69.5 | 0 | 0 | 0 | 0 | 110.5 | S73 E77 | S73-S75 PolarHBondContact O-N 2.9Å; S73-S75 WeakPolarHBondContact OG-CB 3.47Å; S73-S75 PolarHBondContact OG-N 2.81Å; S73-S75 PolarHBondContact OG-OG 3.25Å; S75-E77 VanDerWaalsContact C-N 3.33Å; S75-E77 PolarHBondContact O-N 3.25Å | ||
| 76 | R | 71.8 | Confident | 77.3 | Confident | 182 Ų | 182 | 73 Ų | 73 | 69% | 0.687 | 35% | 0.348 | S | S | * | . | trans | -63.8 | 93.4 | 168.7 | -63.6 | -179.6 | -174.2 | 158.1 | 3.6 | 108.9 | E74 I78 P115 E116 | E74-R76 PolarHBondContact O-N 3.37Å; R76-I78 PolarHBondContact O-N 2.93Å; R76-P115 HydrophobicContact CB-CG 4.19Å; R76-P115 HydrophobicContact CG-CG 4.07Å; R76-E116 HydrophobicContact CB-CG 4.42Å | ||
| 77 | E | 84.5 | Confident | 77.9 | Confident | 35 Ų | 35 | 72.9 Ų | 72.9 | 16% | 0.164 | 34% | 0.344 | C | S | . | . | trans | -63.4 | 121.3 | 172.4 | -173.1 | 176.4 | -179 | 0 | 0 | 108.7 | S33 L70 S75 V79 Y114 | S33-E77 PolarHBondContact OG-OE1 3.14Å; L70-E77 WeakPolarHBondContact CD1-OE2 3.49Å; S75-E77 VanDerWaalsContact C-N 3.33Å; S75-E77 PolarHBondContact O-N 3.25Å; E77-V79 HydrophobicContact CG-CG2 4.48Å; E77-Y114 HydrophobicContact CG-CE1 4.48Å; E77-Y114 WeakPolarHBondContact OE2-CE1 3.49Å | ||
| 78 | I | 92.2 | Very high | 79.1 | Confident | 4 Ų | 4 | 75.1 Ų | 75.1 | 2% | 0.021 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 127.6 | 175.3 | -60.8 | -174.6 | 0 | 0 | 0 | 108.2 | A4 L5 I30 Y32 S33 R76 I80 E116 Y118 | A4-I78 HydrophobicContact CB-CD1 3.55Å; A4-I78 HydrophobicContact CB-CG1 4.39Å; L5-I78 HydrophobicContact CD1-CG2 3.96Å; L5-I78 HydrophobicContact CD2-CD1 4.38Å; L5-I78 HydrophobicContact CG-CD1 4.28Å; I30-I78 HydrophobicContact CG2-CD1 3.32Å; I30-I78 HydrophobicContact CG2-CG1 4.41Å; Y32-I78 CarbonylContact C-O 3.6Å; Y32-I78 VanDerWaalsContact CA-O 3.24Å; Y32-I78 WeakPolarHBondContact CA-O 3.41Å; Y32-I78 WeakPolarHBondContact CB-O 3.34Å; S33-I78 PolarHBondContact N-O 3.43Å; R76-I78 PolarHBondContact O-N 2.93Å; I78-I80 HydrophobicContact CG2-CG1 4.18Å; I78-E116 WeakPolarHBondContact CA-O 3.38Å; I78-E116 HydrophobicContact CB-CB 4.26Å; I78-E116 HydrophobicContact CG1-CB 3.79Å; I78-E116 HydrophobicContact CG1-CG 4.21Å; I78-E116 HydrophobicContact CG2-CB 4.47Å; I78-Y118 HydrophobicContact CG2-CD2 3.72Å; I78-Y118 HydrophobicContact CG2-CE2 3.81Å |
| 79 | V | 95.2 | Very high | 81 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 125.1 | 177.5 | -172.1 | 0 | 0 | 0 | 0 | 109.7 | S33 I35 E77 F81 L97 Y114 E116 I117 Y118 | S33-V79 WeakPolarHBondContact O-CA 3.45Å; I35-V79 HydrophobicContact CG1-CG1 3.76Å; E77-V79 HydrophobicContact CG-CG2 4.48Å; V79-F81 HydrophobicContact CB-CE2 4.35Å; V79-F81 HydrophobicContact CG1-CD2 4.05Å; V79-F81 HydrophobicContact CG1-CE2 3.5Å; V79-F81 HydrophobicContact CG1-CZ 3.91Å; V79-L97 HydrophobicContact CB-CD2 4.48Å; V79-L97 HydrophobicContact CG1-CD2 4.21Å; V79-L97 HydrophobicContact CG2-CD2 4.41Å; V79-Y114 HydrophobicContact CG2-CD1 3.54Å; V79-Y114 HydrophobicContact CG2-CE1 3.99Å; V79-Y114 HydrophobicContact CG2-CG 4.35Å; V79-E116 PolarHBondContact N-O 2.84Å; V79-I117 CarbonylContact O-C 3.48Å; V79-I117 WeakPolarHBondContact O-CA 3.46Å; V79-Y118 PolarHBondContact O-N 2.82Å |
| 80 | I | 97.2 | Very high | 83 | Confident | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.005 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 116 | 179.6 | -55.9 | 174.7 | 0 | 0 | 0 | 108.4 | L5 I19 V24 Y32 S33 I34 I35 I78 Y118 L120 | L5-I80 HydrophobicContact CD1-CD1 3.95Å; L5-I80 HydrophobicContact CD1-CG1 4.39Å; I19-I80 HydrophobicContact CD1-CD1 3.74Å; I19-I80 HydrophobicContact CD1-CG1 4.15Å; I19-I80 HydrophobicContact CD1-CG2 3.85Å; V24-I80 HydrophobicContact CG2-CD1 4.1Å; V24-I80 HydrophobicContact CG2-CG2 4.34Å; Y32-I80 HydrophobicContact CD1-CD1 4.48Å; Y32-I80 HydrophobicContact CD2-CD1 3.44Å; Y32-I80 VanDerWaalsContact CD2-CD1 3.44Å; Y32-I80 HydrophobicContact CD2-CG1 4.36Å; Y32-I80 HydrophobicContact CE2-CD1 3.91Å; Y32-I80 HydrophobicContact CG-CD1 3.77Å; S33-I80 PolarHBondContact O-N 3.28Å; I34-I80 CarbonylContact C-O 3.6Å; I34-I80 WeakPolarHBondContact CA-O 3.33Å; I35-I80 PolarHBondContact N-O 3.21Å; I78-I80 HydrophobicContact CG2-CG1 4.18Å; I80-Y118 WeakPolarHBondContact CA-O 3.41Å; I80-L120 HydrophobicContact CG2-CB 4.36Å |
| 81 | F | 98.6 | Very high | 85.2 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 142.9 | 174.7 | -71.9 | -87.6 | 0 | 0 | 0 | 111.3 | I35 L60 V79 M93 L97 I117 Y118 L119 L120 | I35-F81 HydrophobicContact CB-CD1 3.79Å; I35-F81 HydrophobicContact CB-CE1 3.92Å; I35-F81 HydrophobicContact CB-CG 4.46Å; I35-F81 HydrophobicContact CG1-CD1 4.41Å; I35-F81 HydrophobicContact CG1-CE1 4.16Å; I35-F81 HydrophobicContact CG1-CZ 4.48Å; I35-F81 HydrophobicContact CG2-CD1 3.85Å; I35-F81 HydrophobicContact CG2-CE1 3.77Å; L60-F81 HydrophobicContact CD1-CE1 4.06Å; L60-F81 HydrophobicContact CD1-CZ 4.11Å; L60-F81 HydrophobicContact CD2-CE1 4.21Å; L60-F81 HydrophobicContact CD2-CZ 4.32Å; V79-F81 HydrophobicContact CB-CE2 4.35Å; V79-F81 HydrophobicContact CG1-CD2 4.05Å; V79-F81 HydrophobicContact CG1-CE2 3.5Å; V79-F81 HydrophobicContact CG1-CZ 3.91Å; F81-M93 HydrophobicContact CD1-CB 3.94Å; F81-M93 HydrophobicContact CE1-CB 3.82Å; F81-L97 HydrophobicContact CE2-CB 4.41Å; F81-L97 HydrophobicContact CE2-CD2 3.75Å; F81-L97 HydrophobicContact CZ-CB 4.04Å; F81-L97 HydrophobicContact CZ-CD2 3.67Å; F81-L97 HydrophobicContact CZ-CG 4.46Å; F81-I117 HydrophobicContact CD2-CG2 3.79Å; F81-I117 HydrophobicContact CE2-CG2 3.76Å; F81-Y118 PolarHBondContact N-O 2.78Å; F81-L119 HydrophobicContact CB-CD1 4.19Å; F81-L119 CarbonylContact O-C 3.6Å; F81-L119 WeakPolarHBondContact O-CA 3.46Å; F81-L120 PolarHBondContact O-N 3.14Å |
| 82 | Y | 98.6 | Very high | 87.4 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 162.8 | 164.9 | 75.2 | -95 | 0 | 0 | 0 | 112 | I34 I35 D36 C37 I48 A51 S86 L120 Y124 | I34-Y82 HydrophobicContact CG2-CD1 3.6Å; I34-Y82 HydrophobicContact CG2-CE1 3.46Å; I34-Y82 VanDerWaalsContact CG2-CE1 3.46Å; I35-Y82 PolarHBondContact O-N 3.13Å; D36-Y82 HydrophobicContact CB-CE1 3.85Å; D36-Y82 HydrophobicContact CB-CE2 3.88Å; D36-Y82 VanDerWaalsContact CB-CZ 3.43Å; D36-Y82 WeakPolarHBondContact CB-OH 3.47Å; D36-Y82 WeakPolarHBondContact OD1-CE2 3.42Å; D36-Y82 WeakPolarHBondContact OD2-CE2 3.48Å; D36-Y82 PolarHBondContact OD2-OH 2.98Å; C37-Y82 WeakPolarHBondContact CB-O 3.38Å; C37-Y82 PolarHBondContact N-O 3.19Å; I48-Y82 HydrophobicContact CB-CE1 4.36Å; I48-Y82 HydrophobicContact CD1-CD1 4.01Å; I48-Y82 HydrophobicContact CD1-CE1 3.73Å; I48-Y82 HydrophobicContact CG1-CE1 4Å; I48-Y82 PolarHBondContact N-OH 3.07Å; A51-Y82 HydrophobicContact CB-CE1 4.02Å; Y82-S86 WeakPolarHBondContact CA-OG 3.13Å; Y82-L120 HydrophobicContact CD1-CD2 4.42Å; Y82-L120 HydrophobicContact CG-CD2 4.14Å; Y82-Y124 HydrophobicContact CE2-CD2 4.11Å; Y82-Y124 HydrophobicContact CE2-CG 4.2Å |
| 83 | C | 98 | Very high | 89.5 | Confident | 4 Ų | 4 | 49.4 Ų | 49.4 | 3% | 0.027 | 23% | 0.23 | C | C | . | . | trans | -137.4 | -152.5 | 160 | 70.6 | 0 | 0 | 0 | 0 | 110 | C37 R38 S86 R89 G123 Y124 | C37-C83 HydrophobicContact CB-CB 4.2Å; R38-C83 HydrophobicContact CG-CB 4.09Å; C83-S86 PolarHBondContact N-OG 2.94Å; C83-S86 WeakPolarHBondContact SG-CA 3.2Å; C83-S86 PolarHBondContact SG-N 2.84Å; C83-R89 HydrophobicContact CB-CB 3.79Å; C83-G123 CarbonylContact O-C 3.58Å; C83-G123 WeakPolarHBondContact O-CA 3.48Å; C83-Y124 PolarHBondContact O-N 3.27Å | ||
| 84 | E | 98.5 | Very high | 91.7 | Very high | 8 Ų | 8 | 46.8 Ų | 46.8 | 4% | 0.037 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -62.1 | -46.4 | 177.9 | -171.4 | -179.5 | 167.1 | 0 | 0 | 111.7 | R38 R89 G123 Y124 K125 Y140 M143 | R38-E84 HydrophobicContact CG-CB 4.49Å; E84-R89 IonicContact OE2-NH2 3.34Å; E84-G123 CarbonylContact O-C 3.58Å; E84-Y124 PolarHBondContact O-N 3.01Å; E84-K125 HydrophobicContact CG-CB 4.47Å; E84-K125 VanDerWaalsContact O-CB 3.29Å; E84-K125 WeakPolarHBondContact O-CB 3.32Å; E84-K125 PolarHBondContact O-N 3.37Å; E84-Y140 VanDerWaalsContact CD-OH 3.26Å; E84-Y140 HydrophobicContact CG-CE2 4.34Å; E84-Y140 WeakPolarHBondContact CG-OH 3.26Å; E84-Y140 PolarHBondContact OE1-OH 2.89Å; E84-M143 VanDerWaalsContact OE2-CB 3.25Å; E84-M143 WeakPolarHBondContact OE2-CB 3.49Å; E84-M143 PolarHBondContact OE2-N 3.08Å |
| 85 | Y | 98.3 | Very high | 93.7 | Very high | 91 Ų | 91 | 42.3 Ų | 42.3 | 36% | 0.357 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -117.4 | -8.5 | -178.3 | -61.1 | -82.9 | 0 | 0 | 0 | 113.8 | Q87 G122 K125 | Y85-Q87 PolarHBondContact O-N 2.86Å; Y85-G122 CarbonylContact O-C 3.49Å; Y85-K125 HydrophobicContact CD1-CD 3.93Å; Y85-K125 HydrophobicContact CE1-CD 3.17Å; Y85-K125 HydrophobicContact CE1-CG 4.46Å; Y85-K125 PolarHBondContact OH-NZ 3.26Å; Y85-K125 VanDerWaalsContact OH-NZ 3.1Å |
| 86 | S | 98.3 | Very high | 95.6 | Very high | 2 Ų | 2 | 38.7 Ų | 38.7 | 1% | 0.014 | 16% | 0.161 | C | C | . | . | S | Bend | trans | 53.8 | 29.9 | -171.5 | -65.6 | 0 | 0 | 0 | 0 | 115.5 | Y82 C83 P91 L119 L120 G123 | Y82-S86 WeakPolarHBondContact CA-OG 3.13Å; C83-S86 PolarHBondContact N-OG 2.94Å; C83-S86 WeakPolarHBondContact SG-CA 3.2Å; C83-S86 PolarHBondContact SG-N 2.84Å; S86-P91 WeakPolarHBondContact O-CD 3.47Å; S86-P91 WeakPolarHBondContact O-CG 3.35Å; S86-L119 WeakPolarHBondContact O-CD2 3.41Å; S86-L120 WeakPolarHBondContact CB-O 3.27Å; S86-L120 PolarHBondContact OG-O 3.36Å; S86-G123 WeakPolarHBondContact OG-CA 3.45Å; S86-G123 PolarHBondContact OG-N 3.42Å |
| 87 | Q | 98 | Very high | 96.7 | Very high | 90 Ų | 90 | 30 Ų | 30 | 42% | 0.421 | 13% | 0.129 | S | C | . | . | S | Bend | trans | -103.9 | -27.5 | -179.9 | -72.2 | 171.9 | 47.6 | 0 | 0 | 113.9 | Y85 P91 | Y85-Q87 PolarHBondContact O-N 2.86Å; Q87-P91 WeakPolarHBondContact O-CG 3.4Å |
| 88 | E | 96.9 | Very high | 97.3 | Very high | 152 Ų | 152 | 30.4 Ų | 30.4 | 71% | 0.71 | 13% | 0.129 | S | C | * | . | S | Bend | trans | -122.3 | -70.6 | -174.3 | -66.8 | -62.2 | 157.5 | 0 | 0 | 111.8 | P91 R92 | E88-P91 WeakPolarHBondContact O-CD 3.48Å; E88-R92 VanDerWaalsContact O-CB 3.29Å; E88-R92 WeakPolarHBondContact O-CB 3.49Å; E88-R92 PolarHBondContact O-N 3.08Å |
| 89 | R | 97.4 | Very high | 97.5 | Very high | 42 Ų | 42 | 31.2 Ų | 31.2 | 16% | 0.158 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.9 | -50.7 | -174.1 | -61.9 | 178.1 | -80.1 | 171.3 | -0.2 | 112.6 | C37 E42 C83 E84 R92 M93 | C37-R89 HydrophobicContact CB-CB 4.2Å; E42-R89 IonicContact OE1-CZ 3.29Å; E42-R89 IonicContact OE1-NH1 2.83Å; E42-R89 PolarHBondContact OE1-NH1 3.02Å; E42-R89 IonicContact OE1-NH2 2.72Å; E42-R89 PolarHBondContact OE1-NH2 2.91Å; E42-R89 IonicContact OE2-CZ 3.15Å; E42-R89 IonicContact OE2-NH1 3.69Å; E42-R89 PolarHBondContact OE2-NH1 3.32Å; E42-R89 IonicContact OE2-NH2 3.11Å; C83-R89 HydrophobicContact CB-CB 3.79Å; E84-R89 IonicContact OE2-NH2 3.34Å; R89-R92 PolarHBondContact O-N 3.35Å; R89-M93 VanDerWaalsContact O-CG 3.3Å; R89-M93 WeakPolarHBondContact O-CG 3.29Å; R89-M93 PolarHBondContact O-N 3.46Å; R89-M93 VanDerWaalsContact O-N 3.14Å |
| 90 | G | 98 | Very high | 97.4 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -59.1 | -53.4 | 177 | 0 | 0 | 0 | 0 | 0 | 113 | R92 M93 S94 | G90-R92 VanDerWaalsContact C-N 3.32Å; G90-R92 PolarHBondContact O-N 2.88Å; G90-M93 PolarHBondContact O-N 2.82Å; G90-M93 VanDerWaalsContact O-N 3.17Å; G90-S94 WeakPolarHBondContact O-CB 3.11Å; G90-S94 PolarHBondContact O-N 3.28Å |
| 91 | P | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -56.8 | -40.8 | 175.8 | -32.8 | 40.9 | 0 | 0 | 0 | 114.1 | V13 L16 S86 Q87 E88 M93 S94 R95 L119 | V13-P91 HydrophobicContact CG1-CB 4.39Å; V13-P91 HydrophobicContact CG1-CG 4.3Å; V13-P91 HydrophobicContact CG2-CG 3.85Å; L16-P91 HydrophobicContact CD1-CB 3.61Å; L16-P91 HydrophobicContact CD1-CG 4.15Å; S86-P91 WeakPolarHBondContact O-CD 3.47Å; S86-P91 WeakPolarHBondContact O-CG 3.35Å; Q87-P91 WeakPolarHBondContact O-CG 3.4Å; E88-P91 WeakPolarHBondContact O-CD 3.48Å; P91-M93 VanDerWaalsContact C-N 3.34Å; P91-M93 PolarHBondContact O-N 3.09Å; P91-S94 PolarHBondContact O-N 2.85Å; P91-R95 WeakPolarHBondContact O-CB 3.34Å; P91-R95 WeakPolarHBondContact O-CG 3.07Å; P91-R95 PolarHBondContact O-N 3.34Å; P91-L119 HydrophobicContact CG-CD1 4.09Å; P91-L119 HydrophobicContact CG-CD2 3.83Å |
| 92 | R | 97.5 | Very high | 97 | Very high | 88 Ų | 88 | 37.9 Ų | 37.9 | 33% | 0.332 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -59.4 | -45.2 | 176.7 | -171.3 | 179 | 99.1 | 149.9 | 1.5 | 111.7 | E88 R89 G90 Y96 S159 | E88-R92 VanDerWaalsContact O-CB 3.29Å; E88-R92 WeakPolarHBondContact O-CB 3.49Å; E88-R92 PolarHBondContact O-N 3.08Å; R89-R92 PolarHBondContact O-N 3.35Å; G90-R92 VanDerWaalsContact C-N 3.32Å; G90-R92 PolarHBondContact O-N 2.88Å; R92-Y96 WeakPolarHBondContact O-CB 3.41Å; R92-Y96 PolarHBondContact O-N 2.84Å; R92-Y96 VanDerWaalsContact O-N 3.08Å; R92-S159 PolarHBondContact NH2-O 2.91Å |
| 93 | M | 97.8 | Very high | 96.7 | Very high | 4 Ų | 4 | 45.9 Ų | 45.9 | 2% | 0.02 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -71.9 | -41.1 | -178.7 | -65.4 | -59.1 | -78.8 | 0 | 0 | 111.9 | C37 I54 T56 K57 L60 F81 R89 G90 P91 Y96 L97 | C37-M93 HydrophobicContact CB-CG 4.18Å; I54-M93 HydrophobicContact CG2-CE 4.01Å; T56-M93 VanDerWaalsContact C-CE 3.49Å; T56-M93 WeakPolarHBondContact O-CE 3.49Å; K57-M93 HydrophobicContact CG-SD 4.1Å; L60-M93 HydrophobicContact CB-CE 3.51Å; L60-M93 HydrophobicContact CD2-CB 4.11Å; L60-M93 HydrophobicContact CD2-CE 3.5Å; L60-M93 VanDerWaalsContact CD2-CE 3.5Å; L60-M93 WeakPolarHBondContact CD2-O 3.41Å; L60-M93 HydrophobicContact CD2-SD 4.31Å; L60-M93 HydrophobicContact CG-CE 4.07Å; F81-M93 HydrophobicContact CD1-CB 3.94Å; F81-M93 HydrophobicContact CE1-CB 3.82Å; R89-M93 VanDerWaalsContact O-CG 3.3Å; R89-M93 WeakPolarHBondContact O-CG 3.29Å; R89-M93 PolarHBondContact O-N 3.46Å; R89-M93 VanDerWaalsContact O-N 3.14Å; G90-M93 PolarHBondContact O-N 2.82Å; G90-M93 VanDerWaalsContact O-N 3.17Å; P91-M93 VanDerWaalsContact C-N 3.34Å; P91-M93 PolarHBondContact O-N 3.09Å; M93-Y96 PolarHBondContact O-N 3.28Å; M93-L97 PolarHBondContact O-N 2.67Å |
| 94 | S | 97.9 | Very high | 96.2 | Very high | 7 Ų | 7 | 50 Ų | 50 | 5% | 0.049 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.7 | -47.3 | 175.1 | 176.9 | 0 | 0 | 0 | 0 | 112.1 | G90 P91 Y96 L97 R98 I117 | G90-S94 WeakPolarHBondContact O-CB 3.11Å; G90-S94 PolarHBondContact O-N 3.28Å; P91-S94 PolarHBondContact O-N 2.85Å; S94-Y96 PolarHBondContact O-N 3.15Å; S94-L97 PolarHBondContact O-N 3.14Å; S94-R98 PolarHBondContact O-N 3.26Å; S94-I117 VanDerWaalsContact OG-CG2 3.27Å; S94-I117 WeakPolarHBondContact OG-CG2 3.49Å |
| 95 | R | 97.7 | Very high | 95.8 | Very high | 99 Ų | 99 | 50.4 Ų | 50.4 | 37% | 0.374 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -63.5 | -40.5 | 175.9 | -69.1 | -176 | -166 | 106 | -2.5 | 112 | D15 L16 P91 R98 A99 | D15-R95 IonicContact OD1-CZ 3.03Å; D15-R95 IonicContact OD1-NH2 2.9Å; D15-R95 PolarHBondContact OD1-NH2 3.32Å; D15-R95 IonicContact OD2-CZ 2.91Å; D15-R95 VanDerWaalsContact OD2-CZ 3.29Å; D15-R95 IonicContact OD2-NE 2.82Å; D15-R95 PolarHBondContact OD2-NE 3.2Å; D15-R95 IonicContact OD2-NH2 3.94Å; D15-R95 PolarHBondContact OD2-NH2 3.19Å; L16-R95 HydrophobicContact CD1-CG 4.5Å; L16-R95 HydrophobicContact CD2-CG 4.02Å; P91-R95 WeakPolarHBondContact O-CB 3.34Å; P91-R95 WeakPolarHBondContact O-CG 3.07Å; P91-R95 PolarHBondContact O-N 3.34Å; R95-R98 PolarHBondContact O-N 3.13Å; R95-A99 WeakPolarHBondContact O-CB 3.44Å; R95-A99 PolarHBondContact O-N 2.95Å |
| 96 | Y | 96.7 | Very high | 95.5 | Very high | 4 Ų | 4 | 49.5 Ų | 49.5 | 2% | 0.016 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.5 | -47.4 | 176.9 | 176.1 | -98.8 | 0 | 0 | 0 | 111.8 | K57 L60 R92 M93 S94 R98 A99 M100 W162 L171 | K57-Y96 HydrophobicContact CB-CD1 4.25Å; K57-Y96 HydrophobicContact CB-CE1 3.92Å; K57-Y96 HydrophobicContact CB-CE2 4.25Å; K57-Y96 HydrophobicContact CD-CD2 3.68Å; K57-Y96 HydrophobicContact CD-CE2 3.86Å; K57-Y96 HydrophobicContact CD-CG 4.08Å; K57-Y96 HydrophobicContact CG-CD1 4.1Å; K57-Y96 HydrophobicContact CG-CD2 4.06Å; K57-Y96 HydrophobicContact CG-CE1 4.26Å; K57-Y96 HydrophobicContact CG-CE2 4.23Å; K57-Y96 HydrophobicContact CG-CG 3.97Å; L60-Y96 HydrophobicContact CD2-CD1 3.73Å; L60-Y96 HydrophobicContact CD2-CE1 4.41Å; L60-Y96 HydrophobicContact CG-CD1 4.43Å; R92-Y96 WeakPolarHBondContact O-CB 3.41Å; R92-Y96 PolarHBondContact O-N 2.84Å; R92-Y96 VanDerWaalsContact O-N 3.08Å; M93-Y96 PolarHBondContact O-N 3.28Å; S94-Y96 PolarHBondContact O-N 3.15Å; Y96-R98 PolarHBondContact O-N 3.19Å; Y96-A99 PolarHBondContact O-N 2.76Å; Y96-M100 HydrophobicContact CD1-CG 4.49Å; Y96-M100 HydrophobicContact CD2-CG 4.32Å; Y96-M100 HydrophobicContact CE1-CG 4.08Å; Y96-M100 HydrophobicContact CE2-CG 3.88Å; Y96-M100 HydrophobicContact CE2-SD 4.35Å; Y96-M100 PolarHBondContact O-N 2.84Å; Y96-W162 WeakPolarHBondContact OH-CZ3 3.34Å; Y96-L171 HydrophobicContact CD2-CD2 4.48Å |
| 97 | L | 95.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -56.7 | -51.6 | 176.6 | -178.5 | 61.8 | 0 | 0 | 0 | 110.8 | L60 M64 L65 V79 F81 M93 S94 A99 M100 D101 Y114 I117 | L60-L97 HydrophobicContact CD2-CB 4.17Å; M64-L97 HydrophobicContact CB-CD1 4.04Å; M64-L97 HydrophobicContact CG-CD1 4.48Å; L65-L97 HydrophobicContact CD2-CD1 3.73Å; L65-L97 HydrophobicContact CG-CD1 4.35Å; V79-L97 HydrophobicContact CB-CD2 4.48Å; V79-L97 HydrophobicContact CG1-CD2 4.21Å; V79-L97 HydrophobicContact CG2-CD2 4.41Å; F81-L97 HydrophobicContact CE2-CB 4.41Å; F81-L97 HydrophobicContact CE2-CD2 3.75Å; F81-L97 HydrophobicContact CZ-CB 4.04Å; F81-L97 HydrophobicContact CZ-CD2 3.67Å; F81-L97 HydrophobicContact CZ-CG 4.46Å; M93-L97 PolarHBondContact O-N 2.67Å; S94-L97 PolarHBondContact O-N 3.14Å; L97-A99 VanDerWaalsContact C-N 3.3Å; L97-A99 PolarHBondContact O-N 3.46Å; L97-M100 PolarHBondContact O-N 2.94Å; L97-D101 VanDerWaalsContact O-CB 3.28Å; L97-D101 WeakPolarHBondContact O-CB 3.3Å; L97-D101 PolarHBondContact O-N 2.9Å; L97-Y114 HydrophobicContact CD1-CD2 3.89Å; L97-Y114 HydrophobicContact CD1-CE2 3.96Å; L97-Y114 HydrophobicContact CD2-CD2 4.2Å; L97-Y114 HydrophobicContact CD2-CG 4.2Å; L97-Y114 HydrophobicContact CG-CD2 4.19Å; L97-I117 HydrophobicContact CB-CD1 4.47Å; L97-I117 HydrophobicContact CD2-CD1 3.83Å; L97-I117 HydrophobicContact CD2-CG1 4.36Å; L97-I117 HydrophobicContact CG-CD1 4.05Å |
| 98 | R | 96 | Very high | 94.9 | Very high | 43 Ų | 43 | 54.6 Ų | 54.6 | 16% | 0.162 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -58.8 | -41.3 | -179.3 | 175.8 | 56.9 | 70.6 | -151.4 | 5.7 | 112.4 | S94 R95 Y96 D101 R102 Y114 P115 I117 | S94-R98 PolarHBondContact O-N 3.26Å; R95-R98 PolarHBondContact O-N 3.13Å; Y96-R98 PolarHBondContact O-N 3.19Å; R98-D101 IonicContact NH1-OD2 2.81Å; R98-D101 PolarHBondContact NH1-OD2 3.16Å; R98-R102 WeakPolarHBondContact O-CB 3.31Å; R98-R102 WeakPolarHBondContact O-CG 3.42Å; R98-R102 PolarHBondContact O-N 3.05Å; R98-Y114 PolarHBondContact NH1-O 3.34Å; R98-Y114 PolarHBondContact NH2-O 3.14Å; R98-P115 PolarHBondContact NH2-O 2.94Å; R98-I117 HydrophobicContact CB-CD1 4.22Å |
| 99 | A | 95.9 | Very high | 94.4 | Very high | 21 Ų | 21 | 54 Ų | 54 | 17% | 0.174 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -69 | -40.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | R95 Y96 L97 R103 L171 | R95-A99 WeakPolarHBondContact O-CB 3.44Å; R95-A99 PolarHBondContact O-N 2.95Å; Y96-A99 PolarHBondContact O-N 2.76Å; L97-A99 VanDerWaalsContact C-N 3.3Å; L97-A99 PolarHBondContact O-N 3.46Å; A99-R103 WeakPolarHBondContact O-CB 3.29Å; A99-R103 PolarHBondContact O-N 2.49Å; A99-L171 HydrophobicContact CB-CD1 3.43Å; A99-L171 VanDerWaalsContact CB-CD1 3.43Å; A99-L171 HydrophobicContact CB-CD2 3.69Å; A99-L171 HydrophobicContact CB-CG 3.37Å |
| 100 | M | 93.7 | Very high | 94.1 | Very high | 14 Ų | 14 | 56.8 Ų | 56.8 | 7% | 0.069 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -68.7 | -41.1 | 175.6 | -69.1 | -58.8 | 96.4 | 0 | 0 | 112 | L65 Y96 L97 R102 R103 M104 L166 L171 | L65-M100 HydrophobicContact CD1-CB 3.41Å; L65-M100 VanDerWaalsContact CD1-CB 3.41Å; L65-M100 HydrophobicContact CD1-CG 3.93Å; Y96-M100 HydrophobicContact CD1-CG 4.49Å; Y96-M100 HydrophobicContact CD2-CG 4.32Å; Y96-M100 HydrophobicContact CE1-CG 4.08Å; Y96-M100 HydrophobicContact CE2-CG 3.88Å; Y96-M100 HydrophobicContact CE2-SD 4.35Å; Y96-M100 PolarHBondContact O-N 2.84Å; L97-M100 PolarHBondContact O-N 2.94Å; M100-R102 VanDerWaalsContact C-N 3.34Å; M100-R102 PolarHBondContact O-N 3.33Å; M100-R103 WeakPolarHBondContact O-CB 3.24Å; M100-R103 PolarHBondContact O-N 2.93Å; M100-R103 VanDerWaalsContact O-N 3.1Å; M100-M104 WeakPolarHBondContact O-CG 3.32Å; M100-M104 PolarHBondContact O-N 3.04Å; M100-L166 HydrophobicContact CE-CD2 3.31Å; M100-L166 HydrophobicContact SD-CD2 4.04Å; M100-L171 HydrophobicContact CE-CD1 3.38Å |
| 101 | D | 92.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -57 | -45.7 | 174.4 | -175.7 | 24.5 | 0 | 0 | 0 | 111.7 | L97 R98 R103 M104 N105 L112 R113 Y114 | L97-D101 VanDerWaalsContact O-CB 3.28Å; L97-D101 WeakPolarHBondContact O-CB 3.3Å; L97-D101 PolarHBondContact O-N 2.9Å; R98-D101 IonicContact NH1-OD2 2.81Å; R98-D101 PolarHBondContact NH1-OD2 3.16Å; D101-R103 PolarHBondContact O-N 3.22Å; D101-M104 PolarHBondContact O-N 3.02Å; D101-N105 WeakPolarHBondContact O-CB 3.45Å; D101-N105 PolarHBondContact O-N 2.84Å; D101-N105 PolarHBondContact O-ND2 2.75Å; D101-N105 PolarHBondContact OD1-ND2 2.87Å; D101-L112 WeakPolarHBondContact OD2-CB 3.45Å; D101-L112 WeakPolarHBondContact OD2-CD2 3.44Å; D101-R113 VanDerWaalsContact OD1-CB 3.26Å; D101-R113 WeakPolarHBondContact OD1-CB 3.24Å; D101-R113 PolarHBondContact OD1-N 3.35Å; D101-R113 PolarHBondContact OD2-N 3.24Å; D101-Y114 HydrophobicContact CB-CD2 4.42Å; D101-Y114 PolarHBondContact OD2-N 3.17Å; D101-Y114 VanDerWaalsContact OD2-N 3.08Å |
| 102 | R | 94.3 | Very high | 93.3 | Very high | 127 Ų | 127 | 63.4 Ų | 63.4 | 48% | 0.479 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.1 | -40.5 | 173.6 | -76.4 | 175.3 | 179.5 | 174.8 | 3.4 | 112.8 | R98 M100 N105 A106 Y109 L112 | R98-R102 WeakPolarHBondContact O-CB 3.31Å; R98-R102 WeakPolarHBondContact O-CG 3.42Å; R98-R102 PolarHBondContact O-N 3.05Å; M100-R102 VanDerWaalsContact C-N 3.34Å; M100-R102 PolarHBondContact O-N 3.33Å; R102-N105 CarbonylContact O-C 3.5Å; R102-N105 PolarHBondContact O-N 3.47Å; R102-A106 PolarHBondContact O-N 3.46Å; R102-A106 VanDerWaalsContact O-N 3.08Å; R102-Y109 HydrophobicContact CG-CE2 4.35Å; R102-L112 HydrophobicContact CG-CD2 3.72Å |
| 103 | R | 92.5 | Very high | 92.8 | Very high | 167 Ų | 167 | 61.3 Ų | 61.3 | 63% | 0.63 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -64.8 | -44.9 | 179.4 | -177.1 | 178.6 | 178.9 | 170.9 | 0.4 | 111.6 | A99 M100 D101 N105 A106 | A99-R103 WeakPolarHBondContact O-CB 3.29Å; A99-R103 PolarHBondContact O-N 2.49Å; M100-R103 WeakPolarHBondContact O-CB 3.24Å; M100-R103 PolarHBondContact O-N 2.93Å; M100-R103 VanDerWaalsContact O-N 3.1Å; D101-R103 PolarHBondContact O-N 3.22Å; R103-N105 VanDerWaalsContact C-N 3.3Å; R103-N105 PolarHBondContact O-N 2.91Å; R103-A106 WeakPolarHBondContact O-CB 3.17Å; R103-A106 PolarHBondContact O-N 3.48Å |
| 104 | M | 88.3 | Confident | 92.5 | Very high | 91 Ų | 91 | 61.1 Ų | 61.1 | 45% | 0.448 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -67 | -33.1 | 178.1 | -67.3 | -173.8 | -51.3 | 0 | 0 | 112.2 | L65 M100 D101 | L65-M104 HydrophobicContact CB-CE 4.12Å; L65-M104 HydrophobicContact CB-SD 4.09Å; L65-M104 HydrophobicContact CD2-CE 3.31Å; L65-M104 HydrophobicContact CD2-SD 4.33Å; L65-M104 HydrophobicContact CG-CE 4.17Å; M100-M104 WeakPolarHBondContact O-CG 3.32Å; M100-M104 PolarHBondContact O-N 3.04Å; D101-M104 PolarHBondContact O-N 3.02Å |
| 105 | N | 90 | Very high | 92.2 | Very high | 16 Ų | 16 | 63 Ų | 63 | 9% | 0.086 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | 18.5 | 178.8 | -68 | -76.9 | 0 | 0 | 0 | 113.7 | D101 R102 R103 A107 N108 Y109 K111 | D101-N105 WeakPolarHBondContact O-CB 3.45Å; D101-N105 PolarHBondContact O-N 2.84Å; D101-N105 PolarHBondContact O-ND2 2.75Å; D101-N105 PolarHBondContact OD1-ND2 2.87Å; R102-N105 CarbonylContact O-C 3.5Å; R102-N105 PolarHBondContact O-N 3.47Å; R103-N105 VanDerWaalsContact C-N 3.3Å; R103-N105 PolarHBondContact O-N 2.91Å; N105-A107 PolarHBondContact O-N 2.95Å; N105-A107 VanDerWaalsContact O-N 3.15Å; N105-N108 CarbonylContact O-C 3.46Å; N105-N108 PolarHBondContact O-N 3.34Å; N105-Y109 PolarHBondContact O-N 3.13Å; N105-K111 WeakPolarHBondContact CB-O 3.28Å |
| 106 | A | 92.6 | Very high | 92 | Very high | 73 Ų | 73 | 59.4 Ų | 59.4 | 60% | 0.603 | 31% | 0.306 | S | S | * | . | G | 310 helix | trans | -55.5 | -37.2 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | R102 R103 N108 | R102-A106 PolarHBondContact O-N 3.46Å; R102-A106 VanDerWaalsContact O-N 3.08Å; R103-A106 WeakPolarHBondContact O-CB 3.17Å; R103-A106 PolarHBondContact O-N 3.48Å; A106-N108 VanDerWaalsContact C-N 3.35Å |
| 107 | A | 93.2 | Very high | 92 | Very high | 98 Ų | 98 | 59.9 Ų | 59.9 | 81% | 0.81 | 31% | 0.309 | S | S | * | . | G | 310 helix | trans | -74 | -22.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | N105 | N105-A107 PolarHBondContact O-N 2.95Å; N105-A107 VanDerWaalsContact O-N 3.15Å |
| 108 | N | 89.3 | Confident | 92.1 | Very high | 100 Ų | 100 | 60 Ų | 60 | 54% | 0.535 | 31% | 0.309 | S | S | . | . | G | 310 helix | trans | -114.7 | 10.2 | -174.9 | -64.2 | -43.4 | 0 | 0 | 0 | 112.6 | N105 A106 K111 | N105-N108 CarbonylContact O-C 3.46Å; N105-N108 PolarHBondContact O-N 3.34Å; A106-N108 VanDerWaalsContact C-N 3.35Å; N108-K111 HydrophobicContact CB-CB 4.19Å; N108-K111 WeakPolarHBondContact O-CB 3.43Å; N108-K111 PolarHBondContact O-N 3.45Å |
| 109 | Y | 87.2 | Confident | 92.2 | Very high | 140 Ų | 140 | 58 Ų | 58 | 55% | 0.549 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | 135.2 | -178.3 | -171.5 | -92.1 | 0 | 0 | 0 | 110.3 | R102 N105 | R102-Y109 HydrophobicContact CG-CE2 4.35Å; N105-Y109 PolarHBondContact O-N 3.13Å |
| 110 | P | 90.6 | Very high | 92.3 | Very high | 101 Ų | 101 | 57 Ų | 57 | 66% | 0.656 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -88.8 | 13 | 16.8 | 36.5 | -37.8 | 0 | 0 | 0 | 116.4 | L112 | P110-L112 PolarHBondContact O-N 3.34Š|
| 111 | K | 88.8 | Confident | 92.5 | Very high | 101 Ų | 101 | 57.3 Ų | 57.3 | 44% | 0.439 | 30% | 0.296 | S | S | . | . | trans | -62.1 | 136.2 | 176.6 | -167.4 | 170.6 | -178.6 | 169.8 | 0 | 110.7 | N105 N108 | N105-K111 WeakPolarHBondContact CB-O 3.28Å; N108-K111 HydrophobicContact CB-CB 4.19Å; N108-K111 WeakPolarHBondContact O-CB 3.43Å; N108-K111 PolarHBondContact O-N 3.45Å | ||
| 112 | L | 90.2 | Very high | 92.8 | Very high | 38 Ų | 38 | 57.5 Ų | 57.5 | 20% | 0.199 | 30% | 0.297 | C | S | . | . | trans | -133.7 | 144.4 | -177.7 | -69.7 | 162.4 | 0 | 0 | 0 | 108.6 | D101 R102 P110 | D101-L112 WeakPolarHBondContact OD2-CB 3.45Å; D101-L112 WeakPolarHBondContact OD2-CD2 3.44Å; R102-L112 HydrophobicContact CG-CD2 3.72Å; P110-L112 PolarHBondContact O-N 3.34Å | ||
| 113 | R | 87.9 | Confident | 92.9 | Very high | 44 Ų | 44 | 51.4 Ų | 51.4 | 17% | 0.166 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -72.6 | -36.9 | 172.5 | -177.4 | 178 | -180 | 166.4 | 6.7 | 111 | M64 L65 R67 D101 P115 | M64-R113 VanDerWaalsContact O-CZ 3.32Å; M64-R113 PolarHBondContact O-NH1 3.11Å; L65-R113 PolarHBondContact O-NH1 2.97Å; L65-R113 VanDerWaalsContact O-NH1 3.08Å; R67-R113 PolarHBondContact O-NH1 3.45Å; R67-R113 PolarHBondContact O-NH2 3.45Å; D101-R113 VanDerWaalsContact OD1-CB 3.26Å; D101-R113 WeakPolarHBondContact OD1-CB 3.24Å; D101-R113 PolarHBondContact OD1-N 3.35Å; D101-R113 PolarHBondContact OD2-N 3.24Å; R113-P115 WeakPolarHBondContact O-CD 3.18Å |
| 114 | Y | 91.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 24% | 0.244 | C | C | . | . | trans | -115.7 | 68.5 | -179.3 | -61.3 | -69.9 | 0 | 0 | 0 | 110.2 | M64 L65 E77 V79 L97 R98 D101 E116 | M64-Y114 HydrophobicContact CB-CE2 4.26Å; M64-Y114 PolarHBondContact O-OH 3.39Å; M64-Y114 HydrophobicContact SD-CE1 4.44Å; L65-Y114 HydrophobicContact CD2-CE2 3.99Å; E77-Y114 HydrophobicContact CG-CE1 4.48Å; E77-Y114 WeakPolarHBondContact OE2-CE1 3.49Å; V79-Y114 HydrophobicContact CG2-CD1 3.54Å; V79-Y114 HydrophobicContact CG2-CE1 3.99Å; V79-Y114 HydrophobicContact CG2-CG 4.35Å; L97-Y114 HydrophobicContact CD1-CD2 3.89Å; L97-Y114 HydrophobicContact CD1-CE2 3.96Å; L97-Y114 HydrophobicContact CD2-CD2 4.2Å; L97-Y114 HydrophobicContact CD2-CG 4.2Å; L97-Y114 HydrophobicContact CG-CD2 4.19Å; R98-Y114 PolarHBondContact NH1-O 3.34Å; R98-Y114 PolarHBondContact NH2-O 3.14Å; D101-Y114 HydrophobicContact CB-CD2 4.42Å; D101-Y114 PolarHBondContact OD2-N 3.17Å; D101-Y114 VanDerWaalsContact OD2-N 3.08Å; Y114-E116 PolarHBondContact O-N 2.83Å | ||
| 115 | P | 91.6 | Very high | 93.7 | Very high | 47 Ų | 47 | 44 Ų | 44 | 31% | 0.305 | 24% | 0.244 | S | C | . | . | trans | -60.9 | -33.1 | -178.9 | 24.9 | -32.7 | 0 | 0 | 0 | 112 | R76 R98 R113 | R76-P115 HydrophobicContact CB-CG 4.19Å; R76-P115 HydrophobicContact CG-CG 4.07Å; R98-P115 PolarHBondContact NH2-O 2.94Å; R113-P115 WeakPolarHBondContact O-CD 3.18Å | ||
| 116 | E | 93.2 | Very high | 94.1 | Very high | 23 Ų | 23 | 46.1 Ų | 46.1 | 11% | 0.107 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 93 | -173.6 | -64 | -63 | 120.5 | 0 | 0 | 111 | A4 R76 I78 V79 Y114 Y118 | A4-E116 HydrophobicContact CB-CG 4.22Å; A4-E116 WeakPolarHBondContact CB-OE2 3.48Å; A4-E116 PolarHBondContact N-OE2 2.91Å; R76-E116 HydrophobicContact CB-CG 4.42Å; I78-E116 WeakPolarHBondContact CA-O 3.38Å; I78-E116 HydrophobicContact CB-CB 4.26Å; I78-E116 HydrophobicContact CG1-CB 3.79Å; I78-E116 HydrophobicContact CG1-CG 4.21Å; I78-E116 HydrophobicContact CG2-CB 4.47Å; V79-E116 PolarHBondContact N-O 2.84Å; Y114-E116 PolarHBondContact O-N 2.83Å; E116-Y118 HydrophobicContact CB-CE2 3.95Å; E116-Y118 PolarHBondContact OE2-OH 2.7Å |
| 117 | I | 96 | Very high | 94.3 | Very high | 13 Ų | 13 | 42.7 Ų | 42.7 | 7% | 0.067 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 126.2 | 175.7 | -59.9 | 174.5 | 0 | 0 | 0 | 109 | V79 F81 S94 L97 R98 | V79-I117 CarbonylContact O-C 3.48Å; V79-I117 WeakPolarHBondContact O-CA 3.46Å; F81-I117 HydrophobicContact CD2-CG2 3.79Å; F81-I117 HydrophobicContact CE2-CG2 3.76Å; S94-I117 VanDerWaalsContact OG-CG2 3.27Å; S94-I117 WeakPolarHBondContact OG-CG2 3.49Å; L97-I117 HydrophobicContact CB-CD1 4.47Å; L97-I117 HydrophobicContact CD2-CD1 3.83Å; L97-I117 HydrophobicContact CD2-CG1 4.36Å; L97-I117 HydrophobicContact CG-CD1 4.05Å; R98-I117 HydrophobicContact CB-CD1 4.22Å |
| 118 | Y | 97.5 | Very high | 94.5 | Very high | 2 Ų | 2 | 40.2 Ų | 40.2 | 1% | 0.008 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 155.8 | -178.1 | -62 | -83.4 | 0 | 0 | 0 | 111.9 | Y3 A4 L5 T7 I17 I19 I78 V79 I80 F81 E116 | Y3-Y118 WeakPolarHBondContact CB-OH 3.43Å; A4-Y118 PolarHBondContact N-OH 3.01Å; L5-Y118 HydrophobicContact CB-CE1 4.14Å; L5-Y118 HydrophobicContact CB-CE2 4.24Å; L5-Y118 HydrophobicContact CD1-CD2 3.86Å; L5-Y118 HydrophobicContact CD1-CE2 3.95Å; L5-Y118 HydrophobicContact CD1-CG 4.28Å; L5-Y118 HydrophobicContact CG-CD2 4.43Å; L5-Y118 HydrophobicContact CG-CE2 4.01Å; L5-Y118 PolarHBondContact N-OH 3.02Å; T7-Y118 HydrophobicContact CG2-CD1 4.39Å; T7-Y118 HydrophobicContact CG2-CE1 3.8Å; I17-Y118 HydrophobicContact CB-CD1 4.38Å; I17-Y118 HydrophobicContact CG2-CD1 3.61Å; I17-Y118 HydrophobicContact CG2-CE1 3.62Å; I17-Y118 CarbonylContact O-C 3.53Å; I17-Y118 WeakPolarHBondContact O-CA 3.42Å; I19-Y118 HydrophobicContact CG2-CD1 3.5Å; I19-Y118 HydrophobicContact CG2-CE1 4.15Å; I19-Y118 HydrophobicContact CG2-CG 3.94Å; I78-Y118 HydrophobicContact CG2-CD2 3.72Å; I78-Y118 HydrophobicContact CG2-CE2 3.81Å; V79-Y118 PolarHBondContact O-N 2.82Å; I80-Y118 WeakPolarHBondContact CA-O 3.41Å; F81-Y118 PolarHBondContact N-O 2.78Å; E116-Y118 HydrophobicContact CB-CE2 3.95Å; E116-Y118 PolarHBondContact OE2-OH 2.7Å |
| 119 | L | 98.3 | Very high | 94.9 | Very high | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 130.7 | 170.5 | -173.6 | 73.9 | 0 | 0 | 0 | 109.7 | V13 L16 I17 S18 I19 F81 S86 P91 D121 | V13-L119 HydrophobicContact CB-CD2 4Å; V13-L119 HydrophobicContact CG2-CD2 3.96Å; L16-L119 HydrophobicContact CB-CD2 4.47Å; L16-L119 HydrophobicContact CD1-CD2 4.23Å; I17-L119 PolarHBondContact O-N 2.87Å; S18-L119 CarbonylContact C-O 3.47Å; S18-L119 WeakPolarHBondContact CA-O 3.34Å; S18-L119 VanDerWaalsContact CB-O 3.29Å; S18-L119 WeakPolarHBondContact CB-O 3.4Å; I19-L119 PolarHBondContact N-O 3.1Å; F81-L119 HydrophobicContact CB-CD1 4.19Å; F81-L119 CarbonylContact O-C 3.6Å; F81-L119 WeakPolarHBondContact O-CA 3.46Å; S86-L119 WeakPolarHBondContact O-CD2 3.41Å; P91-L119 HydrophobicContact CG-CD1 4.09Å; P91-L119 HydrophobicContact CG-CD2 3.83Å; L119-D121 PolarHBondContact O-N 3.46Å |
| 120 | L | 98.2 | Very high | 95.3 | Very high | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 107.7 | 172.7 | -176.5 | 63.5 | 0 | 0 | 0 | 109.6 | I19 V24 I48 I80 F81 Y82 S86 G123 F127 | I19-L120 HydrophobicContact CG1-CD1 4.35Å; V24-L120 HydrophobicContact CG2-CD1 3.8Å; I48-L120 HydrophobicContact CD1-CD2 3.63Å; I80-L120 HydrophobicContact CG2-CB 4.36Å; F81-L120 PolarHBondContact O-N 3.14Å; Y82-L120 HydrophobicContact CD1-CD2 4.42Å; Y82-L120 HydrophobicContact CG-CD2 4.14Å; S86-L120 WeakPolarHBondContact CB-O 3.27Å; S86-L120 PolarHBondContact OG-O 3.36Å; L120-G123 PolarHBondContact O-N 3.33Å; L120-F127 HydrophobicContact CD2-CB 4.27Å; L120-F127 HydrophobicContact CD2-CD2 4.11Å; L120-F127 HydrophobicContact CD2-CG 4.41Å |
| 121 | D | 98.2 | Very high | 95.5 | Very high | 21 Ų | 21 | 36 Ų | 36 | 11% | 0.112 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | 138.2 | -175.6 | -168.6 | 84.5 | 0 | 0 | 0 | 112.1 | L8 K12 I19 L119 G123 | L8-D121 HydrophobicContact CD1-CB 3.31Å; K12-D121 WeakPolarHBondContact CB-OD1 3.3Å; K12-D121 WeakPolarHBondContact CE-OD2 3.2Å; K12-D121 WeakPolarHBondContact CG-OD1 3.44Å; K12-D121 PolarHBondContact N-OD1 3.41Å; I19-D121 PolarHBondContact O-N 3.27Å; L119-D121 PolarHBondContact O-N 3.46Å; D121-G123 PolarHBondContact O-N 3.49Å; D121-G123 VanDerWaalsContact O-N 3.11Å |
| 122 | G | 98 | Very high | 95.9 | Very high | 3 Ų | 3 | 35 Ų | 35 | 3% | 0.031 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73 | -7.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y85 | Y85-G122 CarbonylContact O-C 3.49Š|
| 123 | G | 98.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | 63.8 | -166.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | C83 E84 S86 L120 D121 K125 N126 F127 | C83-G123 CarbonylContact O-C 3.58Å; C83-G123 WeakPolarHBondContact O-CA 3.48Å; E84-G123 CarbonylContact O-C 3.58Å; S86-G123 WeakPolarHBondContact OG-CA 3.45Å; S86-G123 PolarHBondContact OG-N 3.42Å; L120-G123 PolarHBondContact O-N 3.33Å; D121-G123 PolarHBondContact O-N 3.49Å; D121-G123 VanDerWaalsContact O-N 3.11Å; G123-K125 PolarHBondContact O-N 2.76Å; G123-N126 PolarHBondContact O-N 3.47Å; G123-N126 VanDerWaalsContact O-N 3.1Å; G123-F127 PolarHBondContact O-N 3.36Å |
| 124 | Y | 98.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.4 | -31 | -175.7 | -168.3 | -113.2 | 0 | 0 | 0 | 112.7 | R38 G46 H47 I48 Y82 C83 E84 N126 F127 Y128 C135 N139 Y140 | R38-Y124 VanDerWaalsContact CZ-CD1 3.49Å; G46-Y124 VanDerWaalsContact C-OH 3.28Å; G46-Y124 WeakPolarHBondContact O-CE1 3.49Å; G46-Y124 VanDerWaalsContact O-CZ 3.31Å; G46-Y124 PolarHBondContact O-OH 3.03Å; H47-Y124 PolarHBondContact N-OH 2.91Å; I48-Y124 HydrophobicContact CG1-CD2 3.86Å; I48-Y124 HydrophobicContact CG1-CE2 3.95Å; Y82-Y124 HydrophobicContact CE2-CD2 4.11Å; Y82-Y124 HydrophobicContact CE2-CG 4.2Å; C83-Y124 PolarHBondContact O-N 3.27Å; E84-Y124 PolarHBondContact O-N 3.01Å; Y124-N126 VanDerWaalsContact C-N 3.28Å; Y124-N126 PolarHBondContact O-N 2.77Å; Y124-F127 HydrophobicContact CD2-CD1 4.28Å; Y124-F127 HydrophobicContact CE2-CD1 4.23Å; Y124-F127 PolarHBondContact O-N 2.7Å; Y124-Y128 HydrophobicContact CE1-CD2 4.37Å; Y124-Y128 HydrophobicContact CE1-CG 4.43Å; Y124-Y128 VanDerWaalsContact O-CB 3.3Å; Y124-Y128 WeakPolarHBondContact O-CB 3.46Å; Y124-Y128 PolarHBondContact O-N 2.92Å; Y124-Y128 WeakPolarHBondContact OH-CD2 3.44Å; Y124-C135 WeakPolarHBondContact OH-CB 3.27Å; Y124-C135 PolarHBondContact OH-SG 3.17Å; Y124-N139 PolarHBondContact OH-O 2.92Å; Y124-Y140 AromaticContact CD1-CD2 3.55Å; Y124-Y140 HydrophobicContact CD1-CD2 3.55Å; Y124-Y140 HydrophobicContact CD1-CE2 4.01Å; Y124-Y140 AromaticContact CE1-CD2 3.81Å; Y124-Y140 HydrophobicContact CE1-CD2 3.81Å |
| 125 | K | 98.3 | Very high | 96.7 | Very high | 101 Ų | 101 | 41.2 Ų | 41.2 | 44% | 0.439 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -59.5 | -38.5 | 175.1 | -174.4 | -179.8 | -175 | 172.9 | 0 | 112.4 | E84 Y85 G123 P129 Y140 | E84-K125 HydrophobicContact CG-CB 4.47Å; E84-K125 VanDerWaalsContact O-CB 3.29Å; E84-K125 WeakPolarHBondContact O-CB 3.32Å; E84-K125 PolarHBondContact O-N 3.37Å; Y85-K125 HydrophobicContact CD1-CD 3.93Å; Y85-K125 HydrophobicContact CE1-CD 3.17Å; Y85-K125 HydrophobicContact CE1-CG 4.46Å; Y85-K125 PolarHBondContact OH-NZ 3.26Å; Y85-K125 VanDerWaalsContact OH-NZ 3.1Å; G123-K125 PolarHBondContact O-N 2.76Å; K125-P129 WeakPolarHBondContact O-CD 3.2Å; K125-Y140 HydrophobicContact CB-CE2 3.93Å; K125-Y140 HydrophobicContact CG-CE2 4.37Å |
| 126 | N | 97.4 | Very high | 97 | Very high | 62 Ų | 62 | 43.2 Ų | 43.2 | 33% | 0.332 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -80 | -36.5 | 177.3 | -171.9 | 56.7 | 0 | 0 | 0 | 112 | G123 Y124 Q130 | G123-N126 PolarHBondContact O-N 3.47Å; G123-N126 VanDerWaalsContact O-N 3.1Å; Y124-N126 VanDerWaalsContact C-N 3.28Å; Y124-N126 PolarHBondContact O-N 2.77Å; N126-Q130 PolarHBondContact O-NE2 3.46Å; N126-Q130 PolarHBondContact OD1-NE2 3.44Å |
| 127 | F | 97.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -67.1 | -52.2 | -178.8 | -176.8 | -87.1 | 0 | 0 | 0 | 112.7 | A21 V24 I48 L120 G123 Y124 Q130 H131 | A21-F127 HydrophobicContact CB-CB 4.39Å; A21-F127 HydrophobicContact CB-CD2 3.71Å; A21-F127 HydrophobicContact CB-CE2 4.49Å; A21-F127 HydrophobicContact CB-CG 4.46Å; A21-F127 WeakPolarHBondContact O-CE2 3.29Å; V24-F127 HydrophobicContact CB-CE2 4.06Å; V24-F127 HydrophobicContact CG1-CE2 4.38Å; I48-F127 HydrophobicContact CB-CE1 4.39Å; I48-F127 HydrophobicContact CD1-CD1 3.99Å; I48-F127 HydrophobicContact CD1-CD2 3.98Å; I48-F127 HydrophobicContact CD1-CE1 4.02Å; I48-F127 HydrophobicContact CD1-CE2 4.03Å; I48-F127 HydrophobicContact CD1-CG 3.98Å; I48-F127 HydrophobicContact CD1-CZ 4.04Å; I48-F127 HydrophobicContact CG1-CD1 3.8Å; I48-F127 HydrophobicContact CG1-CE1 3.68Å; I48-F127 HydrophobicContact CG1-CG 4.3Å; I48-F127 HydrophobicContact CG1-CZ 4.08Å; I48-F127 HydrophobicContact CG2-CE1 4.16Å; I48-F127 HydrophobicContact CG2-CZ 3.97Å; L120-F127 HydrophobicContact CD2-CB 4.27Å; L120-F127 HydrophobicContact CD2-CD2 4.11Å; L120-F127 HydrophobicContact CD2-CG 4.41Å; G123-F127 PolarHBondContact O-N 3.36Å; Y124-F127 HydrophobicContact CD2-CD1 4.28Å; Y124-F127 HydrophobicContact CE2-CD1 4.23Å; Y124-F127 PolarHBondContact O-N 2.7Å; F127-Q130 PolarHBondContact O-N 3.19Å; F127-H131 HydrophobicContact CD1-CB 3.93Å; F127-H131 HydrophobicContact CD2-CB 4.25Å; F127-H131 AromaticContact CD2-CD2 3.94Å; F127-H131 HydrophobicContact CE1-CB 3.53Å; F127-H131 HydrophobicContact CE2-CB 3.87Å; F127-H131 HydrophobicContact CG-CB 4.27Å; F127-H131 HydrophobicContact CZ-CB 3.5Å; F127-H131 WeakPolarHBondContact O-CB 3.31Å; F127-H131 PolarHBondContact O-N 3.06Å |
| 128 | Y | 97.9 | Very high | 97.3 | Very high | 47 Ų | 47 | 50 Ų | 50 | 18% | 0.184 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -51.4 | -52.7 | -170.5 | 174.9 | -107.4 | 0 | 0 | 0 | 115.1 | Y124 Q130 H131 M132 C135 K138 N139 Y140 | Y124-Y128 HydrophobicContact CE1-CD2 4.37Å; Y124-Y128 HydrophobicContact CE1-CG 4.43Å; Y124-Y128 VanDerWaalsContact O-CB 3.3Å; Y124-Y128 WeakPolarHBondContact O-CB 3.46Å; Y124-Y128 PolarHBondContact O-N 2.92Å; Y124-Y128 WeakPolarHBondContact OH-CD2 3.44Å; Y128-Q130 PolarHBondContact O-N 3.29Å; Y128-H131 CarbonylContact O-C 3.25Å; Y128-H131 PolarHBondContact O-N 3.46Å; Y128-M132 HydrophobicContact CD2-CG 4.46Å; Y128-M132 HydrophobicContact CE2-CB 4.27Å; Y128-M132 HydrophobicContact CE2-CG 3.73Å; Y128-M132 WeakPolarHBondContact O-CA 3.49Å; Y128-M132 WeakPolarHBondContact O-CB 3.11Å; Y128-M132 PolarHBondContact O-N 3.08Å; Y128-C135 HydrophobicContact CD2-CB 4.36Å; Y128-K138 PolarHBondContact OH-O 2.79Å; Y128-K138 VanDerWaalsContact OH-O 3.09Å; Y128-N139 WeakPolarHBondContact CE2-O 3.39Å; Y128-N139 WeakPolarHBondContact OH-CA 3.42Å; Y128-Y140 HydrophobicContact CD1-CG 4.44Å |
| 129 | P | 97 | Very high | 97.3 | Very high | 92 Ų | 92 | 53.6 Ų | 53.6 | 60% | 0.597 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -64.8 | -27.3 | -175.2 | 25.1 | -34.6 | 0 | 0 | 0 | 113.3 | K125 | K125-P129 WeakPolarHBondContact O-CD 3.2Å |
| 130 | Q | 95.6 | Very high | 97.3 | Very high | 125 Ų | 125 | 56 Ų | 56 | 58% | 0.584 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -93.6 | -23.6 | -177.1 | -62.4 | 177.2 | 62.8 | 0 | 0 | 112.4 | N126 F127 Y128 | N126-Q130 PolarHBondContact O-NE2 3.46Å; N126-Q130 PolarHBondContact OD1-NE2 3.44Å; F127-Q130 PolarHBondContact O-N 3.19Å; Y128-Q130 PolarHBondContact O-N 3.29Å |
| 131 | H | 95.8 | Very high | 97.3 | Very high | 35 Ų | 35 | 56.6 Ų | 56.6 | 16% | 0.162 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -133.4 | 29.5 | -170 | -59.2 | -66.8 | 0 | 0 | 0 | 112.7 | F127 Y128 N133 Y134 | F127-H131 HydrophobicContact CD1-CB 3.93Å; F127-H131 HydrophobicContact CD2-CB 4.25Å; F127-H131 AromaticContact CD2-CD2 3.94Å; F127-H131 HydrophobicContact CE1-CB 3.53Å; F127-H131 HydrophobicContact CE2-CB 3.87Å; F127-H131 HydrophobicContact CG-CB 4.27Å; F127-H131 HydrophobicContact CZ-CB 3.5Å; F127-H131 WeakPolarHBondContact O-CB 3.31Å; F127-H131 PolarHBondContact O-N 3.06Å; Y128-H131 CarbonylContact O-C 3.25Å; Y128-H131 PolarHBondContact O-N 3.46Å; H131-N133 PolarHBondContact O-N 3.01Å; H131-Y134 HydrophobicContact CB-CD2 3.98Å; H131-Y134 WeakPolarHBondContact O-CA 3.44Å; H131-Y134 WeakPolarHBondContact O-CB 3.38Å; H131-Y134 PolarHBondContact O-N 3.49Å |
| 132 | M | 95.7 | Very high | 97.3 | Very high | 80 Ų | 80 | 57.4 Ų | 57.4 | 39% | 0.394 | 29% | 0.285 | S | S | . | . | G | 310 helix | trans | -51.6 | -31.9 | -178.4 | -177.5 | -174.7 | 70 | 0 | 0 | 113.6 | Y128 Y134 C135 K138 | Y128-M132 HydrophobicContact CD2-CG 4.46Å; Y128-M132 HydrophobicContact CE2-CB 4.27Å; Y128-M132 HydrophobicContact CE2-CG 3.73Å; Y128-M132 WeakPolarHBondContact O-CA 3.49Å; Y128-M132 WeakPolarHBondContact O-CB 3.11Å; Y128-M132 PolarHBondContact O-N 3.08Å; M132-Y134 PolarHBondContact O-N 2.99Å; M132-C135 WeakPolarHBondContact O-CB 3.05Å; M132-C135 PolarHBondContact O-N 2.9Å; M132-C135 VanDerWaalsContact O-N 3.14Å; M132-K138 HydrophobicContact CE-CD 4.49Å; M132-K138 HydrophobicContact CG-CB 3.92Å; M132-K138 HydrophobicContact CG-CD 4.23Å; M132-K138 HydrophobicContact CG-CG 4.26Å; M132-K138 HydrophobicContact SD-CB 4.4Å |
| 133 | N | 95.5 | Very high | 97.3 | Very high | 107 Ų | 107 | 59.5 Ų | 59.5 | 57% | 0.572 | 30% | 0.295 | S | S | * | . | G | 310 helix | trans | -68.3 | -11.9 | 176.9 | -72.5 | -32.9 | 0 | 0 | 0 | 114.1 | H131 K138 | H131-N133 PolarHBondContact O-N 3.01Å; N133-K138 PolarHBondContact OD1-NZ 3.33Å |
| 134 | Y | 95.9 | Very high | 97.2 | Very high | 102 Ų | 102 | 65.5 Ų | 65.5 | 40% | 0.4 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -102.7 | 18.3 | 174.9 | -58.3 | -79.8 | 0 | 0 | 0 | 112.6 | G25 M49 H131 M132 | G25-Y134 VanDerWaalsContact O-CE1 3.25Å; G25-Y134 WeakPolarHBondContact O-CE1 3.4Å; M49-Y134 HydrophobicContact CE-CD1 4.01Å; M49-Y134 WeakPolarHBondContact CG-O 3.46Å; M49-Y134 PolarHBondContact N-O 2.89Å; H131-Y134 HydrophobicContact CB-CD2 3.98Å; H131-Y134 WeakPolarHBondContact O-CA 3.44Å; H131-Y134 WeakPolarHBondContact O-CB 3.38Å; H131-Y134 PolarHBondContact O-N 3.49Å; M132-Y134 PolarHBondContact O-N 2.99Å |
| 135 | C | 97.1 | Very high | 97.1 | Very high | 4 Ų | 4 | 68.1 Ų | 68.1 | 3% | 0.027 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 144.9 | -179.8 | -59.3 | 0 | 0 | 0 | 0 | 112.5 | H47 Y124 Y128 M132 K138 | H47-C135 CarbonylContact O-C 3.57Å; H47-C135 WeakPolarHBondContact O-CA 3.26Å; H47-C135 WeakPolarHBondContact O-CB 3.49Å; Y124-C135 WeakPolarHBondContact OH-CB 3.27Å; Y124-C135 PolarHBondContact OH-SG 3.17Å; Y128-C135 HydrophobicContact CD2-CB 4.36Å; M132-C135 WeakPolarHBondContact O-CB 3.05Å; M132-C135 PolarHBondContact O-N 2.9Å; M132-C135 VanDerWaalsContact O-N 3.14Å; C135-K138 WeakPolarHBondContact O-CG 3.26Å |
| 136 | E | 96.7 | Very high | 97.1 | Very high | 88 Ų | 88 | 71 Ų | 71 | 41% | 0.411 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 128.9 | 173.1 | 66.7 | -165.1 | 159.3 | 0 | 0 | 110.9 | H47 M49 G50 | H47-E136 PolarHBondContact CE1-O 2.88Å; H47-E136 PolarHBondContact N-O 2.69Å; H47-E136 PolarHBondContact ND1-O 2.99Å; H47-E136 PolarHBondContact NE2-O 3.49Å; H47-E136 PolarHBondContact O-N 2.77Å; M49-E136 VanDerWaalsContact CA-OE1 3.24Å; M49-E136 WeakPolarHBondContact CA-OE1 3.44Å; M49-E136 HydrophobicContact CB-CG 4.4Å; M49-E136 HydrophobicContact CG-CB 4.02Å; M49-E136 HydrophobicContact CG-CG 3.9Å; G50-E136 PolarHBondContact N-OE1 2.73Å |
| 137 | P | 97.8 | Very high | 97.1 | Very high | 66 Ų | 66 | 73.4 Ų | 73.4 | 43% | 0.429 | 36% | 0.364 | S | S | . | . | S | Bend | cis | -53.3 | 161.5 | -27.4 | 29.1 | -36.7 | 0 | 0 | 0 | 111.7 | D44 G46 N139 | D44-P137 WeakPolarHBondContact O-CD 3.19Å; D44-P137 WeakPolarHBondContact O-CG 3.34Å; G46-P137 WeakPolarHBondContact CA-O 3.44Å; P137-N139 PolarHBondContact O-N 3.03Å |
| 138 | K | 97.7 | Very high | 97 | Very high | 114 Ų | 114 | 75.5 Ų | 75.5 | 50% | 0.496 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -74.1 | 67.1 | 176.2 | -63.1 | -172 | -177.1 | -173.8 | 0 | 111 | Y128 M132 N133 C135 | Y128-K138 PolarHBondContact OH-O 2.79Å; Y128-K138 VanDerWaalsContact OH-O 3.09Å; M132-K138 HydrophobicContact CE-CD 4.49Å; M132-K138 HydrophobicContact CG-CB 3.92Å; M132-K138 HydrophobicContact CG-CD 4.23Å; M132-K138 HydrophobicContact CG-CG 4.26Å; M132-K138 HydrophobicContact SD-CB 4.4Å; N133-K138 PolarHBondContact OD1-NZ 3.33Å; C135-K138 WeakPolarHBondContact O-CG 3.26Å |
| 139 | N | 98.3 | Very high | 96.9 | Very high | 77 Ų | 77 | 77.9 Ų | 77.9 | 41% | 0.412 | 39% | 0.393 | S | S | . | . | trans | -149.4 | 169.2 | -177.7 | -175 | 35.6 | 0 | 0 | 0 | 111.1 | G45 G46 Y124 Y128 P137 | G45-N139 CarbonylContact O-C 3.5Å; G45-N139 WeakPolarHBondContact O-CB 3.3Å; G45-N139 PolarHBondContact O-ND2 3.2Å; G45-N139 VanDerWaalsContact O-ND2 3.14Å; G46-N139 WeakPolarHBondContact CA-O 3.32Å; Y124-N139 PolarHBondContact OH-O 2.92Å; Y128-N139 WeakPolarHBondContact CE2-O 3.39Å; Y128-N139 WeakPolarHBondContact OH-CA 3.42Å; P137-N139 PolarHBondContact O-N 3.03Å | ||
| 140 | Y | 98.4 | Very high | 96.9 | Very high | 52 Ų | 52 | 77.3 Ų | 77.3 | 20% | 0.204 | 40% | 0.396 | C | S | . | . | trans | -135.4 | 116.3 | 178.3 | 173.5 | -93.3 | 0 | 0 | 0 | 110.1 | E84 Y124 K125 Y128 P142 | E84-Y140 VanDerWaalsContact CD-OH 3.26Å; E84-Y140 HydrophobicContact CG-CE2 4.34Å; E84-Y140 WeakPolarHBondContact CG-OH 3.26Å; E84-Y140 PolarHBondContact OE1-OH 2.89Å; Y124-Y140 AromaticContact CD1-CD2 3.55Å; Y124-Y140 HydrophobicContact CD1-CD2 3.55Å; Y124-Y140 HydrophobicContact CD1-CE2 4.01Å; Y124-Y140 AromaticContact CE1-CD2 3.81Å; Y124-Y140 HydrophobicContact CE1-CD2 3.81Å; K125-Y140 HydrophobicContact CB-CE2 3.93Å; K125-Y140 HydrophobicContact CG-CE2 4.37Å; Y128-Y140 HydrophobicContact CD1-CG 4.44Å; Y140-P142 HydrophobicContact CE1-CB 3.9Å; Y140-P142 HydrophobicContact CE1-CG 4.38Å | ||
| 141 | V | 98.3 | Very high | 96.9 | Very high | 12 Ų | 12 | 74.7 Ų | 74.7 | 7% | 0.073 | 38% | 0.384 | C | S | . | . | trans | -110 | 117 | 172.8 | 177.4 | 0 | 0 | 0 | 0 | 109.2 | Y41 H145 | Y41-V141 HydrophobicContact CD2-CG1 4.02Å; Y41-V141 HydrophobicContact CE2-CG1 4.47Å; V141-H145 HydrophobicContact CG1-CB 3.95Å | ||
| 142 | P | 98.2 | Very high | 96.9 | Very high | 38 Ų | 38 | 74 Ų | 74 | 25% | 0.247 | 38% | 0.381 | C | S | . | . | trans | -74.2 | 156.3 | 178.2 | 29.9 | -34.2 | 0 | 0 | 0 | 111.6 | Y140 L144 H145 | Y140-P142 HydrophobicContact CE1-CB 3.9Å; Y140-P142 HydrophobicContact CE1-CG 4.38Å; P142-L144 PolarHBondContact O-N 2.89Å; P142-H145 HydrophobicContact CG-CB 4.2Å; P142-H145 WeakPolarHBondContact O-CB 3.28Å; P142-H145 PolarHBondContact O-N 2.9Å; P142-H145 VanDerWaalsContact O-N 3.14Å | ||
| 143 | M | 97.6 | Very high | 96.9 | Very high | 48 Ų | 48 | 79.8 Ų | 79.8 | 24% | 0.236 | 40% | 0.399 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -36.7 | 177.9 | -175.1 | -176.6 | 62.5 | 0 | 0 | 112.9 | Y39 Y41 E42 E84 H145 L152 | Y39-M143 HydrophobicContact CD2-CG 4.05Å; Y39-M143 HydrophobicContact CE2-CG 3.97Å; Y39-M143 HydrophobicContact CE2-SD 4Å; Y41-M143 PolarHBondContact OH-O 3.44Å; E42-M143 WeakPolarHBondContact OE1-CB 3.47Å; E84-M143 VanDerWaalsContact OE2-CB 3.25Å; E84-M143 WeakPolarHBondContact OE2-CB 3.49Å; E84-M143 PolarHBondContact OE2-N 3.08Å; M143-H145 VanDerWaalsContact C-N 3.33Å; M143-H145 PolarHBondContact O-N 2.87Å; M143-L152 HydrophobicContact CG-CD1 3.9Å; M143-L152 HydrophobicContact SD-CD1 4.48Å |
| 144 | L | 96.9 | Very high | 96.9 | Very high | 125 Ų | 125 | 81.9 Ų | 81.9 | 65% | 0.654 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.9 | 28.3 | -177.7 | -58.6 | -178.9 | 0 | 0 | 0 | 113.2 | P142 K146 L152 | P142-L144 PolarHBondContact O-N 2.89Å; L144-K146 PolarHBondContact O-N 3.47Å; L144-L152 HydrophobicContact CD2-CD2 3.63Å |
| 145 | H | 96.5 | Very high | 96.9 | Very high | 56 Ų | 56 | 78 Ų | 78 | 26% | 0.259 | 39% | 0.388 | S | S | . | . | trans | -61.1 | 131.6 | 177.3 | -164.4 | -95.4 | 0 | 0 | 0 | 111.6 | V141 P142 M143 D147 H148 | V141-H145 HydrophobicContact CG1-CB 3.95Å; P142-H145 HydrophobicContact CG-CB 4.2Å; P142-H145 WeakPolarHBondContact O-CB 3.28Å; P142-H145 PolarHBondContact O-N 2.9Å; P142-H145 VanDerWaalsContact O-N 3.14Å; M143-H145 VanDerWaalsContact C-N 3.33Å; M143-H145 PolarHBondContact O-N 2.87Å; H145-D147 IonicContact CE1-OD2 3.56Å; H145-D147 PolarHBondContact CE1-OD2 3.29Å; H145-D147 PolarHBondContact ND1-N 3.27Å; H145-D147 IonicContact ND1-OD2 3.36Å; H145-D147 PolarHBondContact O-N 3.03Å; H145-H148 AromaticContact CG-CD2 3.94Å; H145-H148 AromaticContact ND1-CD2 3.58Å; H145-H148 PolarHBondContact O-N 3.33Å | ||
| 146 | K | 96.6 | Very high | 96.7 | Very high | 162 Ų | 162 | 84.4 Ų | 84.4 | 70% | 0.704 | 41% | 0.411 | S | S | * | . | G | 310 helix | trans | -57.1 | -34.1 | -174.4 | 57.8 | 173.5 | -171.3 | 179.2 | 0 | 113.6 | L144 H148 V149 | L144-K146 PolarHBondContact O-N 3.47Å; K146-H148 VanDerWaalsContact C-N 3.26Å; K146-H148 PolarHBondContact O-N 3.01Å; K146-V149 WeakPolarHBondContact O-CG2 3.43Å |
| 147 | D | 97 | Very high | 96.4 | Very high | 112 Ų | 112 | 84.9 Ų | 84.9 | 60% | 0.599 | 42% | 0.421 | S | S | * | . | G | 310 helix | trans | -79.8 | -11.5 | -176.7 | -56.6 | -28.2 | 0 | 0 | 0 | 112.4 | H145 | H145-D147 IonicContact CE1-OD2 3.56Å; H145-D147 PolarHBondContact CE1-OD2 3.29Å; H145-D147 PolarHBondContact ND1-N 3.27Å; H145-D147 IonicContact ND1-OD2 3.36Å; H145-D147 PolarHBondContact O-N 3.03Å |
| 148 | H | 96.2 | Very high | 96.1 | Very high | 44 Ų | 44 | 86.7 Ų | 86.7 | 20% | 0.204 | 42% | 0.422 | C | S | . | . | G | 310 helix | trans | -112.6 | 18.9 | -175.1 | -63.3 | -61.6 | 0 | 0 | 0 | 113.5 | Y41 H145 K146 A150 E151 L152 | Y41-H148 HydrophobicContact CD1-CB 4.29Å; Y41-H148 HydrophobicContact CD2-CB 3.55Å; Y41-H148 AromaticContact CD2-CD2 3.56Å; Y41-H148 AromaticContact CD2-CG 3.46Å; Y41-H148 VanDerWaalsContact CD2-CG 3.46Å; Y41-H148 HydrophobicContact CE1-CB 4.42Å; Y41-H148 HydrophobicContact CE2-CB 3.67Å; Y41-H148 HydrophobicContact CG-CB 3.88Å; Y41-H148 AromaticContact CG-CG 3.76Å; Y41-H148 AromaticContact CG-ND1 4Å; H145-H148 AromaticContact CG-CD2 3.94Å; H145-H148 AromaticContact ND1-CD2 3.58Å; H145-H148 PolarHBondContact O-N 3.33Å; K146-H148 VanDerWaalsContact C-N 3.26Å; K146-H148 PolarHBondContact O-N 3.01Å; H148-A150 VanDerWaalsContact C-N 3.31Å; H148-A150 PolarHBondContact O-N 3.02Å; H148-E151 IonicContact CE1-OE2 3.13Å; H148-E151 IonicContact CG-OE2 2.67Å; H148-E151 IonicContact ND1-OE1 3.73Å; H148-E151 IonicContact ND1-OE2 3.6Å; H148-E151 PolarHBondContact ND1-OE2 3.31Å; H148-E151 PolarHBondContact O-N 3.15Å; H148-L152 WeakPolarHBondContact O-CB 3.19Å; H148-L152 PolarHBondContact O-N 3.06Å |
| 149 | V | 96.3 | Very high | 95.6 | Very high | 96 Ų | 96 | 82.1 Ų | 82.1 | 58% | 0.582 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -58.7 | -41.1 | -178.1 | 171.7 | 0 | 0 | 0 | 0 | 112.2 | K146 R153 | K146-V149 WeakPolarHBondContact O-CG2 3.43Å; V149-R153 PolarHBondContact O-N 2.79Å; V149-R153 VanDerWaalsContact O-N 3.14Å |
| 150 | A | 96.2 | Very high | 94.8 | Very high | 81 Ų | 81 | 85.2 Ų | 85.2 | 67% | 0.669 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -66.2 | -42.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112 | H148 R153 K154 | H148-A150 VanDerWaalsContact C-N 3.31Å; H148-A150 PolarHBondContact O-N 3.02Å; A150-R153 PolarHBondContact O-N 3.08Å; A150-K154 PolarHBondContact O-N 3.04Å; A150-K154 VanDerWaalsContact O-N 3.08Å |
| 151 | E | 96.6 | Very high | 93 | Very high | 70 Ų | 70 | 86.3 Ų | 86.3 | 33% | 0.327 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -67.4 | -42.7 | 177.6 | -72.8 | 160.9 | 94 | 0 | 0 | 111.9 | Y41 H148 R153 K154 F155 | Y41-E151 HydrophobicContact CD1-CB 3.88Å; Y41-E151 HydrophobicContact CE1-CB 4.26Å; H148-E151 IonicContact CE1-OE2 3.13Å; H148-E151 IonicContact CG-OE2 2.67Å; H148-E151 IonicContact ND1-OE1 3.73Å; H148-E151 IonicContact ND1-OE2 3.6Å; H148-E151 PolarHBondContact ND1-OE2 3.31Å; H148-E151 PolarHBondContact O-N 3.15Å; E151-R153 VanDerWaalsContact C-N 3.28Å; E151-R153 PolarHBondContact O-N 3.09Å; E151-K154 WeakPolarHBondContact O-CB 3.34Å; E151-K154 PolarHBondContact O-N 3.38Å; E151-K154 VanDerWaalsContact O-N 3.09Å; E151-F155 HydrophobicContact CB-CD2 4.08Å; E151-F155 HydrophobicContact CB-CE2 3.86Å; E151-F155 HydrophobicContact CG-CE2 4.4Å; E151-F155 WeakPolarHBondContact O-CD2 3.08Å; E151-F155 WeakPolarHBondContact O-CG 3.49Å; E151-F155 PolarHBondContact O-N 3.35Å |
| 152 | L | 96.4 | Very high | 90.9 | Very high | 19 Ų | 19 | 90.5 Ų | 90.5 | 10% | 0.099 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -53.9 | -46.9 | 172.9 | 174.9 | 62.1 | 0 | 0 | 0 | 110.9 | Y39 Y41 M143 L144 H148 K154 F155 R156 | Y39-L152 HydrophobicContact CD2-CD1 3.9Å; Y39-L152 HydrophobicContact CE2-CD1 3.44Å; Y39-L152 VanDerWaalsContact CE2-CD1 3.44Å; Y41-L152 HydrophobicContact CE1-CB 4.49Å; Y41-L152 WeakPolarHBondContact OH-CD1 3.43Å; M143-L152 HydrophobicContact CG-CD1 3.9Å; M143-L152 HydrophobicContact SD-CD1 4.48Å; L144-L152 HydrophobicContact CD2-CD2 3.63Å; H148-L152 WeakPolarHBondContact O-CB 3.19Å; H148-L152 PolarHBondContact O-N 3.06Å; L152-K154 VanDerWaalsContact C-N 3.34Å; L152-K154 PolarHBondContact O-N 2.83Å; L152-F155 PolarHBondContact O-N 2.99Å; L152-R156 HydrophobicContact CD1-CG 3.87Å; L152-R156 HydrophobicContact CG-CG 4.42Å; L152-R156 VanDerWaalsContact O-CB 3.3Å; L152-R156 WeakPolarHBondContact O-CB 3.48Å; L152-R156 VanDerWaalsContact O-CG 3.24Å; L152-R156 WeakPolarHBondContact O-CG 3.42Å; L152-R156 PolarHBondContact O-N 2.92Å |
| 153 | R | 95 | Very high | 88.6 | Confident | 203 Ų | 203 | 92 Ų | 92 | 77% | 0.766 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -60.6 | -44.1 | 177.1 | -173.7 | 177.4 | -179.8 | 173.9 | -0.1 | 111.5 | V149 A150 E151 T157 | V149-R153 PolarHBondContact O-N 2.79Å; V149-R153 VanDerWaalsContact O-N 3.14Å; A150-R153 PolarHBondContact O-N 3.08Å; E151-R153 VanDerWaalsContact C-N 3.28Å; E151-R153 PolarHBondContact O-N 3.09Å; R153-T157 PolarHBondContact O-N 3.08Å; R153-T157 PolarHBondContact O-OG1 3.28Å; R153-T157 VanDerWaalsContact O-OG1 3.13Å |
| 154 | K | 94.9 | Very high | 86.2 | Confident | 150 Ų | 150 | 95.3 Ų | 95.3 | 65% | 0.652 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -61.3 | -51.7 | 177.4 | -179.6 | -177.3 | 177.1 | -177.6 | 0 | 111.8 | A150 E151 L152 T157 K158 | A150-K154 PolarHBondContact O-N 3.04Å; A150-K154 VanDerWaalsContact O-N 3.08Å; E151-K154 WeakPolarHBondContact O-CB 3.34Å; E151-K154 PolarHBondContact O-N 3.38Å; E151-K154 VanDerWaalsContact O-N 3.09Å; L152-K154 VanDerWaalsContact C-N 3.34Å; L152-K154 PolarHBondContact O-N 2.83Å; K154-T157 PolarHBondContact O-N 3.39Å; K154-K158 PolarHBondContact O-N 3.35Å |
| 155 | F | 95.4 | Very high | 83.7 | Confident | 22 Ų | 22 | 92.5 Ų | 92.5 | 10% | 0.096 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -70.9 | -34 | -175.6 | -66 | -54.4 | 0 | 0 | 0 | 113.2 | Y39 P40 Y41 Y55 E151 L152 T157 K158 S159 | Y39-F155 HydrophobicContact CD1-CB 3.45Å; Y39-F155 VanDerWaalsContact CD1-CB 3.45Å; Y39-F155 HydrophobicContact CD1-CG 4.17Å; Y39-F155 HydrophobicContact CD2-CB 4.4Å; Y39-F155 HydrophobicContact CE1-CB 3.74Å; Y39-F155 HydrophobicContact CG-CB 3.82Å; Y39-F155 HydrophobicContact CG-CD2 4.32Å; Y39-F155 HydrophobicContact CG-CG 4.31Å; P40-F155 HydrophobicContact CB-CE1 4.37Å; P40-F155 HydrophobicContact CB-CE2 4.24Å; P40-F155 HydrophobicContact CB-CZ 3.81Å; P40-F155 HydrophobicContact CG-CD1 4.26Å; P40-F155 HydrophobicContact CG-CE1 3.62Å; P40-F155 HydrophobicContact CG-CE2 4.17Å; P40-F155 HydrophobicContact CG-CZ 3.56Å; Y41-F155 AromaticContact CD1-CD2 3.8Å; Y41-F155 HydrophobicContact CD1-CD2 3.8Å; Y41-F155 AromaticContact CD1-CE2 3.79Å; Y41-F155 HydrophobicContact CD1-CE2 3.79Å; Y41-F155 AromaticContact CE1-CD2 3.9Å; Y41-F155 HydrophobicContact CE1-CD2 3.9Å; Y41-F155 HydrophobicContact CE1-CE2 4.36Å; Y55-F155 HydrophobicContact CE2-CB 4.37Å; Y55-F155 AromaticContact CE2-CD1 3.66Å; Y55-F155 HydrophobicContact CE2-CD1 3.66Å; Y55-F155 HydrophobicContact CE2-CE1 4.4Å; Y55-F155 HydrophobicContact CE2-CG 4.38Å; Y55-F155 AromaticContact CZ-CD1 3.71Å; Y55-F155 AromaticContact CZ-CE1 3.99Å; E151-F155 HydrophobicContact CB-CD2 4.08Å; E151-F155 HydrophobicContact CB-CE2 3.86Å; E151-F155 HydrophobicContact CG-CE2 4.4Å; E151-F155 WeakPolarHBondContact O-CD2 3.08Å; E151-F155 WeakPolarHBondContact O-CG 3.49Å; E151-F155 PolarHBondContact O-N 3.35Å; L152-F155 PolarHBondContact O-N 2.99Å; F155-T157 VanDerWaalsContact C-N 3.33Å; F155-T157 PolarHBondContact O-N 3.34Å; F155-K158 PolarHBondContact O-N 3.28Å; F155-S159 WeakPolarHBondContact O-CB 3.47Å; F155-S159 PolarHBondContact O-N 3.02Å; F155-S159 PolarHBondContact O-OG 3.19Å |
| 156 | R | 92.8 | Very high | 81.5 | Confident | 138 Ų | 138 | 91.6 Ų | 91.6 | 52% | 0.521 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -60.7 | -40.7 | 172.9 | -78 | -177.8 | 81.6 | 163.2 | 5.5 | 112.4 | Y39 L152 S159 K160 | Y39-R156 HydrophobicContact CE2-CG 4.25Å; Y39-R156 VanDerWaalsContact OH-CG 3.29Å; Y39-R156 WeakPolarHBondContact OH-CG 3.44Å; L152-R156 HydrophobicContact CD1-CG 3.87Å; L152-R156 HydrophobicContact CG-CG 4.42Å; L152-R156 VanDerWaalsContact O-CB 3.3Å; L152-R156 WeakPolarHBondContact O-CB 3.48Å; L152-R156 VanDerWaalsContact O-CG 3.24Å; L152-R156 WeakPolarHBondContact O-CG 3.42Å; L152-R156 PolarHBondContact O-N 2.92Å; R156-S159 PolarHBondContact O-N 3.27Å; R156-K160 WeakPolarHBondContact O-CG 3.16Å |
| 157 | T | 91.5 | Very high | 79 | Confident | 98 Ų | 98 | 86.7 Ų | 86.7 | 60% | 0.601 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -65 | -46.3 | 177.1 | -58.8 | 0 | 0 | 0 | 0 | 111 | R153 K154 F155 S159 K160 | R153-T157 PolarHBondContact O-N 3.08Å; R153-T157 PolarHBondContact O-OG1 3.28Å; R153-T157 VanDerWaalsContact O-OG1 3.13Å; K154-T157 PolarHBondContact O-N 3.39Å; F155-T157 VanDerWaalsContact C-N 3.33Å; F155-T157 PolarHBondContact O-N 3.34Å; T157-S159 VanDerWaalsContact C-N 3.3Å; T157-S159 PolarHBondContact O-N 2.6Å; T157-K160 PolarHBondContact O-N 3.32Å |
| 158 | K | 90.5 | Very high | 76.8 | Confident | 104 Ų | 104 | 85.2 Ų | 85.2 | 45% | 0.452 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -64.8 | -31.7 | 178.6 | -171.8 | 171.1 | 168.4 | -168.3 | 0 | 113.2 | Y55 T56 K154 F155 K160 S161 | Y55-K158 HydrophobicContact CE2-CD 4.37Å; Y55-K158 WeakPolarHBondContact OH-CD 3.32Å; Y55-K158 WeakPolarHBondContact OH-CE 3.14Å; Y55-K158 PolarHBondContact OH-NZ 2.86Å; T56-K158 HydrophobicContact CG2-CG 4.28Å; K154-K158 PolarHBondContact O-N 3.35Å; F155-K158 PolarHBondContact O-N 3.28Å; K158-K160 PolarHBondContact O-N 2.75Å; K158-S161 PolarHBondContact O-N 3.25Å; K158-S161 PolarHBondContact O-OG 3.39Å |
| 159 | S | 88.4 | Confident | 74.5 | Confident | 17 Ų | 17 | 93.7 Ų | 93.7 | 12% | 0.119 | 49% | 0.486 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -7.4 | -179 | -55.6 | 0 | 0 | 0 | 0 | 114.5 | R92 F155 R156 T157 | R92-S159 PolarHBondContact NH2-O 2.91Å; F155-S159 WeakPolarHBondContact O-CB 3.47Å; F155-S159 PolarHBondContact O-N 3.02Å; F155-S159 PolarHBondContact O-OG 3.19Å; R156-S159 PolarHBondContact O-N 3.27Å; T157-S159 VanDerWaalsContact C-N 3.3Å; T157-S159 PolarHBondContact O-N 2.6Å |
| 160 | K | 80.1 | Confident | 72.4 | Confident | 143 Ų | 143 | 92.8 Ų | 92.8 | 62% | 0.622 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.7 | -14.6 | 179.9 | -68.8 | 177.4 | -179.5 | -176.1 | 0 | 113.8 | R156 T157 K158 W162 T163 | R156-K160 WeakPolarHBondContact O-CG 3.16Å; T157-K160 PolarHBondContact O-N 3.32Å; K158-K160 PolarHBondContact O-N 2.75Å; K160-W162 VanDerWaalsContact C-N 3.26Å; K160-W162 PolarHBondContact O-N 3.08Å; K160-W162 VanDerWaalsContact O-N 3.08Å; K160-T163 PolarHBondContact O-OG1 3.08Å; K160-T163 VanDerWaalsContact O-OG1 3.06Å |
| 161 | S | 61.2 | Low | 70.2 | Confident | 74 Ų | 74 | 91.2 Ų | 91.2 | 52% | 0.517 | 47% | 0.469 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -13.1 | -163.8 | 46 | 0 | 0 | 0 | 0 | 116.5 | E58 K158 | E58-S161 PolarHBondContact OE1-OG 3.14Å; K158-S161 PolarHBondContact O-N 3.25Å; K158-S161 PolarHBondContact O-OG 3.39Å |
| 162 | W | 54.4 | Low | 68 | Low | 101 Ų | 101 | 91.3 Ų | 91.3 | 38% | 0.383 | 48% | 0.482 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.6 | 3.6 | -174.1 | -118.4 | 63.5 | 0 | 0 | 0 | 117.2 | E58 Y96 K160 S164 L166 | E58-W162 VanDerWaalsContact CD-CD1 3.44Å; E58-W162 HydrophobicContact CG-CB 4.44Å; E58-W162 HydrophobicContact CG-CD2 4.27Å; E58-W162 HydrophobicContact CG-CG 3.77Å; E58-W162 WeakPolarHBondContact OE1-CB 3.5Å; E58-W162 VanDerWaalsContact OE1-CG 3.24Å; Y96-W162 WeakPolarHBondContact OH-CZ3 3.34Å; K160-W162 VanDerWaalsContact C-N 3.26Å; K160-W162 PolarHBondContact O-N 3.08Å; K160-W162 VanDerWaalsContact O-N 3.08Å; W162-S164 PolarHBondContact O-N 2.92Å; W162-S164 VanDerWaalsContact O-N 3.15Å; W162-L166 HydrophobicContact CZ3-CD1 4.09Å |
| 163 | T | 49.8 | Very low | 65.3 | Low | 68 Ų | 68 | 93 Ų | 93 | 42% | 0.417 | 51% | 0.505 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -3.5 | 176.9 | 27.1 | 0 | 0 | 0 | 0 | 114.5 | K160 | K160-T163 PolarHBondContact O-OG1 3.08Å; K160-T163 VanDerWaalsContact O-OG1 3.06Å |
| 164 | S | 46.6 | Very low | 62.7 | Low | 118 Ų | 118 | 88.3 Ų | 88.3 | 83% | 0.825 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -41.1 | -176.6 | 179.1 | 0 | 0 | 0 | 0 | 113.9 | W162 | W162-S164 PolarHBondContact O-N 2.92Å; W162-S164 VanDerWaalsContact O-N 3.15Å |
| 165 | G | 45 | Very low | 59.9 | Low | 67 Ų | 67 | 87.5 Ų | 87.5 | 69% | 0.691 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | -28.4 | -172.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 166 | L | 50.4 | Low | 57.1 | Low | 37 Ų | 37 | 93 Ų | 93 | 19% | 0.194 | 55% | 0.552 | C | S | . | * | S | Bend | trans | -130.8 | 94.4 | 175.4 | -75.9 | 82.4 | 0 | 0 | 0 | 107.1 | M100 W162 D168 L171 | M100-L166 HydrophobicContact CE-CD2 3.31Å; M100-L166 HydrophobicContact SD-CD2 4.04Å; W162-L166 HydrophobicContact CZ3-CD1 4.09Å; L166-D168 PolarHBondContact O-N 2.92Å; L166-L171 HydrophobicContact CD2-CD1 4.13Å |
| 167 | S | 45.1 | Very low | 54.4 | Low | 59 Ų | 59 | 98.1 Ų | 98.1 | 41% | 0.413 | 57% | 0.572 | S | S | . | * | trans | -54 | 135.5 | 170.2 | 70.5 | 0 | 0 | 0 | 0 | 108.5 | R169 A170 L171 | S167-R169 PolarHBondContact O-N 3.3Å; S167-A170 PolarHBondContact O-N 2.9Å; S167-A170 PolarHBondContact OG-N 3.05Å; S167-L171 PolarHBondContact O-N 3.48Å | ||
| 168 | D | 49.4 | Very low | 51.7 | Low | 81 Ų | 81 | 104.8 Ų | 104.8 | 43% | 0.433 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -55.6 | -18.9 | 176.1 | -68.6 | -44.2 | 0 | 0 | 0 | 111.3 | K57 L166 L171 A172 | K57-D168 IonicContact NZ-OD1 3.6Å; K57-D168 PolarHBondContact NZ-OD1 3.05Å; L166-D168 PolarHBondContact O-N 2.92Å; D168-L171 WeakPolarHBondContact O-CB 3.39Å; D168-L171 PolarHBondContact O-N 3.41Å; D168-A172 PolarHBondContact O-N 2.91Å |
| 169 | R | 49.5 | Very low | 49 | Very low | 221 Ų | 221 | 109.8 Ų | 109.8 | 83% | 0.834 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -71.5 | -30.8 | 171.6 | -65.5 | 179.6 | 74.4 | 155 | 2.6 | 114.7 | S167 L171 A172 | S167-R169 PolarHBondContact O-N 3.3Å; R169-L171 VanDerWaalsContact C-N 3.32Å; R169-A172 VanDerWaalsContact O-O 3.1Å |
| 170 | A | 51.8 | Low | 46.5 | Very low | 78 Ų | 78 | 114.4 Ų | 114.4 | 65% | 0.645 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -77.7 | -24.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | S167 | S167-A170 PolarHBondContact O-N 2.9Å; S167-A170 PolarHBondContact OG-N 3.05Å |
| 171 | L | 50 | Low | 44.6 | Very low | 47 Ų | 47 | 113.1 Ų | 113.1 | 25% | 0.246 | 64% | 0.641 | C | S | . | * | H | α-helix | trans | -78 | -39.8 | 179.2 | -152.2 | 77.6 | 0 | 0 | 0 | 112.3 | Y96 A99 M100 L166 S167 D168 R169 G173 | Y96-L171 HydrophobicContact CD2-CD2 4.48Å; A99-L171 HydrophobicContact CB-CD1 3.43Å; A99-L171 VanDerWaalsContact CB-CD1 3.43Å; A99-L171 HydrophobicContact CB-CD2 3.69Å; A99-L171 HydrophobicContact CB-CG 3.37Å; M100-L171 HydrophobicContact CE-CD1 3.38Å; L166-L171 HydrophobicContact CD2-CD1 4.13Å; S167-L171 PolarHBondContact O-N 3.48Å; D168-L171 WeakPolarHBondContact O-CB 3.39Å; D168-L171 PolarHBondContact O-N 3.41Å; R169-L171 VanDerWaalsContact C-N 3.32Å; L171-G173 VanDerWaalsContact C-N 3.35Å; L171-G173 PolarHBondContact O-N 3.46Å; L171-G173 VanDerWaalsContact O-N 3.09Å |
| 172 | A | 49.4 | Very low | 43.6 | Very low | 72 Ų | 72 | 119.7 Ų | 119.7 | 60% | 0.595 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -77.4 | 87.6 | 167.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | D168 R169 A174 | D168-A172 PolarHBondContact O-N 2.91Å; R169-A172 VanDerWaalsContact O-O 3.1Å; A172-A174 PolarHBondContact O-N 3.47Å |
| 173 | G | 40.8 | Very low | 42.9 | Very low | 56 Ų | 56 | 125.5 Ų | 125.5 | 58% | 0.577 | 68% | 0.676 | S | S | * | * | trans | -35 | 131 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | L171 T175 | L171-G173 VanDerWaalsContact C-N 3.35Å; L171-G173 PolarHBondContact O-N 3.46Å; L171-G173 VanDerWaalsContact O-N 3.09Å; G173-T175 PolarHBondContact O-N 3.1Å | ||
| 174 | A | 40.1 | Very low | 42.5 | Very low | 104 Ų | 104 | 128.4 Ų | 128.4 | 86% | 0.86 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -53.2 | 90.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113 | A172 | A172-A174 PolarHBondContact O-N 3.47Š|
| 175 | T | 36.8 | Very low | 42.1 | Very low | 133 Ų | 133 | 130 Ų | 130 | 82% | 0.816 | 69% | 0.688 | S | S | * | * | trans | -136.1 | 58.3 | 158.2 | 47.9 | 0 | 0 | 0 | 0 | 109.7 | G173 | G173-T175 PolarHBondContact O-N 3.1Š| ||
| 176 | T | 35.9 | Very low | 42.1 | Very low | 136 Ų | 136 | 135 Ų | 135 | 83% | 0.834 | 70% | 0.698 | S | S | * | * | trans | -109.9 | 81.5 | 152.1 | -34.5 | 0 | 0 | 0 | 0 | 106.6 | R178 | T176-R178 PolarHBondContact O-N 2.96Š| ||
| 177 | R | 36.1 | Very low | 41.8 | Very low | 246 Ų | 246 | 140.8 Ų | 140.8 | 93% | 0.928 | 72% | 0.724 | S | S | * | * | trans | -55.1 | 105.3 | 164.7 | -133.3 | 174.8 | 168.1 | 177.3 | -4.7 | 105.5 | R179 | R177-R179 PolarHBondContact O-N 3.42Š| ||
| 178 | R | 34.9 | Very low | 42.1 | Very low | 238 Ų | 238 | 151.2 Ų | 151.2 | 90% | 0.898 | 76% | 0.762 | S | S | * | * | trans | -51.7 | 114.6 | 173.4 | -87.3 | 175.9 | 117.1 | -174.7 | 1.3 | 106.9 | T176 | T176-R178 PolarHBondContact O-N 2.96Š| ||
| 179 | R | 33.9 | Very low | 41.7 | Very low | 209 Ų | 209 | 154.7 Ų | 154.7 | 79% | 0.789 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 122 | 168.4 | -176.9 | 172.7 | 153.2 | 177.7 | -7 | 106.7 | R177 S181 | R177-R179 PolarHBondContact O-N 3.42Å; R179-S181 PolarHBondContact O-N 3.04Å |
| 180 | P | 35.9 | Very low | 41.3 | Very low | 114 Ų | 114 | 151.2 Ų | 151.2 | 74% | 0.74 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 132.9 | -179.6 | 15.2 | -18.4 | 0 | 0 | 0 | 109.4 | R182 | P180-R182 PolarHBondContact O-N 3.08Š|
| 181 | S | 39.3 | Very low | 40.7 | Very low | 117 Ų | 117 | 155.3 Ų | 155.3 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 123.1 | 174.3 | -171.2 | 0 | 0 | 0 | 0 | 108.3 | R179 R183 | R179-S181 PolarHBondContact O-N 3.04Å; S181-R183 PolarHBondContact O-N 2.91Å |
| 182 | R | 39.8 | Very low | 40.1 | Very low | 212 Ų | 212 | 161.6 Ų | 161.6 | 80% | 0.8 | 82% | 0.815 | S | S | * | * | trans | -60.7 | 111 | 169.6 | -74.9 | -176.3 | -171 | -161 | 2.1 | 106.9 | P180 T184 | P180-R182 PolarHBondContact O-N 3.08Å; R182-T184 PolarHBondContact O-N 3.25Å | ||
| 183 | R | 41.1 | Very low | 39.6 | Very low | 222 Ų | 222 | 167.3 Ų | 167.3 | 84% | 0.838 | 83% | 0.829 | S | S | * | * | trans | -72.2 | 107.3 | 164.3 | -162.2 | 177.8 | -167.5 | 175.6 | 1.5 | 105.1 | S181 E185 | S181-R183 PolarHBondContact O-N 2.91Å; R183-E185 PolarHBondContact O-N 3.15Å; R183-E185 VanDerWaalsContact O-N 3.08Å | ||
| 184 | T | 41 | Very low | 39.5 | Very low | 129 Ų | 129 | 174.7 Ų | 174.7 | 79% | 0.791 | 85% | 0.845 | S | S | * | * | trans | -67.4 | 102 | 169.4 | -5.3 | 0 | 0 | 0 | 0 | 106.6 | R182 L186 | R182-T184 PolarHBondContact O-N 3.25Å; T184-L186 PolarHBondContact O-N 2.93Å | ||
| 185 | E | 38.6 | Very low | 39.5 | Very low | 153 Ų | 153 | 179.7 Ų | 179.7 | 72% | 0.715 | 84% | 0.844 | S | S | * | * | trans | -75.9 | 107.9 | 162.3 | -75 | 178.1 | 173.9 | 0 | 0 | 106.8 | R183 Q187 | R183-E185 PolarHBondContact O-N 3.15Å; R183-E185 VanDerWaalsContact O-N 3.08Å; E185-Q187 PolarHBondContact O-N 3.38Å | ||
| 186 | L | 44.2 | Very low | 39.7 | Very low | 171 Ų | 171 | 183.3 Ų | 183.3 | 90% | 0.895 | 85% | 0.847 | S | S | * | * | trans | -70.8 | 110.2 | 162.7 | -76.5 | 158.1 | 0 | 0 | 0 | 106.2 | T184 | T184-L186 PolarHBondContact O-N 2.93Š| ||
| 187 | Q | 44.3 | Very low | 40 | Very low | 159 Ų | 159 | 187.3 Ų | 187.3 | 74% | 0.743 | 85% | 0.848 | S | S | * | * | trans | -83.2 | 120.5 | 172.4 | -75.7 | -176.7 | -19.3 | 0 | 0 | 109.1 | E185 | E185-Q187 PolarHBondContact O-N 3.38Š| ||
| 188 | F | 50.7 | Low | 40.3 | Very low | 277 Ų | 277 | 181.9 Ų | 181.9 | 100% | 1.215 | 84% | 0.84 | S | S | * | * | trans | 46.7 | 0 | 161.3 | -57.7 | -78.2 | 0 | 0 | 0 | 118.8 |
Retrieved 188 of 188 residues in 35.6 ms
(Link to these results)