| 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 | 37.5 | Very low | 66.8 | Low | 251 Ų | 251 | 130.1 Ų | 130.1 | 100% | 1.236 | 68% | 0.678 | S | S | * | * | 0 | 134.9 | 0 | -73.2 | -174.6 | -179.1 | 0 | 0 | 107.9 | |||||
| 2 | G | 45.6 | Very low | 68.9 | Low | 71 Ų | 71 | 121.4 Ų | 121.4 | 73% | 0.732 | 64% | 0.639 | S | S | * | * | trans | 77.2 | 82.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 116 | K4 | G2-K4 PolarHBondContact O-N 2.67Š| ||
| 3 | Q | 44 | Very low | 70.8 | Confident | 198 Ų | 198 | 112.4 Ų | 112.4 | 93% | 0.925 | 59% | 0.592 | S | S | * | * | trans | -60.7 | 89.4 | 143.5 | -84.3 | 178.3 | -26.8 | 0 | 0 | 105.2 | S5 | Q3-S5 PolarHBondContact O-N 2.97Š| ||
| 4 | K | 52.3 | Low | 72.4 | Confident | 164 Ų | 164 | 112.1 Ų | 112.1 | 71% | 0.713 | 59% | 0.586 | S | S | * | * | trans | -53.1 | 115.7 | 164.1 | -85.4 | -176.5 | 175.9 | 180 | 0 | 104.4 | G2 S6 | G2-K4 PolarHBondContact O-N 2.67Å; K4-S6 PolarHBondContact O-N 2.86Å | ||
| 5 | S | 53.4 | Low | 73.9 | Confident | 92 Ų | 92 | 108.7 Ų | 108.7 | 64% | 0.643 | 57% | 0.568 | S | S | * | * | trans | -47.4 | 114.5 | -178.9 | 46.9 | 0 | 0 | 0 | 0 | 108.3 | Q3 K7 | Q3-S5 PolarHBondContact O-N 2.97Å; S5-K7 PolarHBondContact O-N 2.96Å | ||
| 6 | S | 66 | Low | 75.2 | Confident | 77 Ų | 77 | 102.2 Ų | 102.2 | 54% | 0.538 | 53% | 0.534 | S | S | . | . | S | Bend | trans | -66.8 | 13.3 | -179 | -33.6 | 0 | 0 | 0 | 0 | 113.1 | K4 | K4-S6 PolarHBondContact O-N 2.86Š|
| 7 | K | 78.3 | Confident | 76.3 | Confident | 156 Ų | 156 | 104.2 Ų | 104.2 | 68% | 0.678 | 53% | 0.533 | S | S | * | . | S | Bend | trans | -110.9 | 127.1 | -177.3 | -69.7 | -170.9 | 176.7 | -174.4 | 0 | 108.3 | S5 | S5-K7 PolarHBondContact O-N 2.96Š|
| 8 | L | 86.3 | Confident | 77.1 | Confident | 23 Ų | 23 | 106.7 Ų | 106.7 | 12% | 0.12 | 54% | 0.539 | C | S | . | . | trans | -66.2 | 142.4 | 170.3 | -165.4 | 67.3 | 0 | 0 | 0 | 109.3 | A12 I13 I16 I27 Q28 Y31 F82 | L8-A12 HydrophobicContact CD1-CB 3.96Å; L8-A12 HydrophobicContact CD2-CB 4.09Å; L8-A12 HydrophobicContact CG-CB 3.82Å; L8-I13 HydrophobicContact CB-CG1 4.05Å; L8-I13 HydrophobicContact CD2-CG1 3.84Å; L8-I13 HydrophobicContact CG-CG1 4.11Å; L8-I16 HydrophobicContact CD2-CD1 3.69Å; L8-I27 HydrophobicContact CD2-CG2 3.88Å; L8-Q28 PolarHBondContact O-NE2 2.94Å; L8-Y31 HydrophobicContact CB-CD1 3.86Å; L8-Y31 HydrophobicContact CB-CE1 4.1Å; L8-Y31 HydrophobicContact CB-CG 4.06Å; L8-Y31 HydrophobicContact CD1-CD2 3.98Å; L8-Y31 HydrophobicContact CD1-CE1 4.28Å; L8-Y31 HydrophobicContact CD1-CE2 3.7Å; L8-Y31 HydrophobicContact CD1-CG 4.38Å; L8-F82 HydrophobicContact CD1-CD1 4.42Å; L8-F82 HydrophobicContact CD2-CD1 4.04Å; L8-F82 HydrophobicContact CD2-CE1 3.83Å | ||
| 9 | R | 89.5 | Confident | 77.7 | Confident | 181 Ų | 181 | 103.5 Ų | 103.5 | 68% | 0.683 | 53% | 0.527 | S | S | * | . | trans | -66.1 | 145 | 178.4 | -66.6 | -177.9 | -69 | 167.7 | -0.1 | 110.6 | E11 A12 I13 | R9-E11 WeakPolarHBondContact CB-OE2 3.37Å; R9-E11 PolarHBondContact O-N 2.8Å; R9-E11 VanDerWaalsContact O-N 3.16Å; R9-A12 PolarHBondContact O-N 3.01Å; R9-I13 WeakPolarHBondContact O-CG1 3.5Å; R9-I13 PolarHBondContact O-N 3.23Å; R9-I13 VanDerWaalsContact O-N 3.09Å | ||
| 10 | P | 90.3 | Very high | 78.3 | Confident | 91 Ų | 91 | 98.9 Ų | 98.9 | 59% | 0.591 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -52.5 | -38.8 | -179.1 | -27.5 | 35.8 | 0 | 0 | 0 | 114 | A12 I13 E14 | P10-A12 VanDerWaalsContact C-N 3.35Å; P10-A12 PolarHBondContact O-N 3.36Å; P10-I13 WeakPolarHBondContact O-CB 3.26Å; P10-I13 PolarHBondContact O-N 3.27Å; P10-E14 PolarHBondContact O-N 3.43Å |
| 11 | E | 92.1 | Very high | 78.8 | Confident | 127 Ų | 127 | 100.6 Ų | 100.6 | 59% | 0.593 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -66.1 | -38.3 | -179.3 | -56.4 | 80 | -175.6 | 0 | 0 | 111.9 | R9 E14 D15 | R9-E11 WeakPolarHBondContact CB-OE2 3.37Å; R9-E11 PolarHBondContact O-N 2.8Å; R9-E11 VanDerWaalsContact O-N 3.16Å; E11-E14 PolarHBondContact O-N 3.28Å; E11-D15 WeakPolarHBondContact O-CB 3.31Å; E11-D15 PolarHBondContact O-N 3.31Å |
| 12 | A | 91.3 | Very high | 81.4 | Confident | 26 Ų | 26 | 89.1 Ų | 89.1 | 22% | 0.215 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -71.8 | -34.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L8 R9 P10 I16 | L8-A12 HydrophobicContact CD1-CB 3.96Å; L8-A12 HydrophobicContact CD2-CB 4.09Å; L8-A12 HydrophobicContact CG-CB 3.82Å; R9-A12 PolarHBondContact O-N 3.01Å; P10-A12 VanDerWaalsContact C-N 3.35Å; P10-A12 PolarHBondContact O-N 3.36Å; A12-I16 VanDerWaalsContact O-CG1 3.29Å; A12-I16 WeakPolarHBondContact O-CG1 3.47Å; A12-I16 PolarHBondContact O-N 3.13Å |
| 13 | I | 93.5 | Very high | 83.7 | Confident | 4 Ų | 4 | 88.2 Ų | 88.2 | 2% | 0.021 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -62.9 | -47.5 | 171.5 | -59.1 | 165.8 | 0 | 0 | 0 | 109.7 | L8 R9 P10 D15 I16 R17 E24 I27 Q28 | L8-I13 HydrophobicContact CB-CG1 4.05Å; L8-I13 HydrophobicContact CD2-CG1 3.84Å; L8-I13 HydrophobicContact CG-CG1 4.11Å; R9-I13 WeakPolarHBondContact O-CG1 3.5Å; R9-I13 PolarHBondContact O-N 3.23Å; R9-I13 VanDerWaalsContact O-N 3.09Å; P10-I13 WeakPolarHBondContact O-CB 3.26Å; P10-I13 PolarHBondContact O-N 3.27Å; I13-D15 VanDerWaalsContact C-N 3.3Å; I13-D15 PolarHBondContact O-N 3.45Å; I13-I16 PolarHBondContact O-N 3.06Å; I13-R17 HydrophobicContact CG2-CG 4.31Å; I13-R17 WeakPolarHBondContact O-CB 3.36Å; I13-R17 VanDerWaalsContact O-CG 3.26Å; I13-R17 WeakPolarHBondContact O-CG 3.3Å; I13-R17 PolarHBondContact O-N 3.12Å; I13-E24 HydrophobicContact CD1-CG 4.26Å; I13-E24 HydrophobicContact CG2-CB 3.98Å; I13-E24 HydrophobicContact CG2-CG 3.85Å; I13-I27 HydrophobicContact CG2-CD1 4.17Å; I13-Q28 HydrophobicContact CD1-CG 4.38Å |
| 14 | E | 94.2 | Very high | 86 | Confident | 109 Ų | 109 | 83.3 Ų | 83.3 | 51% | 0.509 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -61 | -41.4 | -179.7 | -165.2 | -165.7 | 143.6 | 0 | 0 | 111.6 | P10 E11 R17 K18 | P10-E14 PolarHBondContact O-N 3.43Å; E11-E14 PolarHBondContact O-N 3.28Å; E14-R17 PolarHBondContact O-N 3.4Å; E14-K18 WeakPolarHBondContact O-CG 3.3Å; E14-K18 PolarHBondContact O-N 3.43Å; E14-K18 VanDerWaalsContact O-N 3.17Å; E14-K18 VanDerWaalsContact OE1-CE 3.3Å; E14-K18 WeakPolarHBondContact OE1-CE 3.48Å; E14-K18 IonicContact OE1-NZ 3.32Å; E14-K18 PolarHBondContact OE1-NZ 3.1Å |
| 15 | D | 93.9 | Very high | 87.9 | Confident | 61 Ų | 61 | 82 Ų | 82 | 33% | 0.326 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -63.1 | -46.2 | 175.1 | -179.3 | 63 | 0 | 0 | 0 | 112.8 | E11 I13 R17 K18 R83 | E11-D15 WeakPolarHBondContact O-CB 3.31Å; E11-D15 PolarHBondContact O-N 3.31Å; I13-D15 VanDerWaalsContact C-N 3.3Å; I13-D15 PolarHBondContact O-N 3.45Å; D15-R17 VanDerWaalsContact C-N 3.29Å; D15-R17 PolarHBondContact O-N 2.82Å; D15-K18 WeakPolarHBondContact O-CB 3.38Å; D15-K18 PolarHBondContact O-N 3.43Å; D15-R83 IonicContact OD1-NH2 3.56Å; D15-R83 VanDerWaalsContact OD2-CD 3.31Å; D15-R83 WeakPolarHBondContact OD2-CD 3.27Å; D15-R83 IonicContact OD2-CZ 3Å; D15-R83 IonicContact OD2-NE 2.76Å; D15-R83 PolarHBondContact OD2-NE 2.92Å; D15-R83 IonicContact OD2-NH2 2.74Å |
| 16 | I | 94.6 | Very high | 89.8 | Confident | 4 Ų | 4 | 80.7 Ų | 80.7 | 2% | 0.021 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -62.6 | -37.7 | 175.3 | -68.1 | 169.9 | 0 | 0 | 0 | 111 | L8 A12 I13 K18 C19 T20 I27 F82 R83 M86 | L8-I16 HydrophobicContact CD2-CD1 3.69Å; A12-I16 VanDerWaalsContact O-CG1 3.29Å; A12-I16 WeakPolarHBondContact O-CG1 3.47Å; A12-I16 PolarHBondContact O-N 3.13Å; I13-I16 PolarHBondContact O-N 3.06Å; I16-K18 PolarHBondContact O-N 3.17Å; I16-C19 PolarHBondContact O-N 3.24Å; I16-C19 VanDerWaalsContact O-N 3.12Å; I16-C19 PolarHBondContact O-SG 3.29Å; I16-C19 VanDerWaalsContact O-SG 3.4Å; I16-T20 HydrophobicContact CG2-CG2 3.88Å; I16-T20 WeakPolarHBondContact O-CB 3.42Å; I16-T20 WeakPolarHBondContact O-CG2 3.47Å; I16-T20 PolarHBondContact O-N 3.42Å; I16-T20 PolarHBondContact O-OG1 3.1Å; I16-I27 HydrophobicContact CB-CD1 4.21Å; I16-I27 HydrophobicContact CD1-CG2 4.19Å; I16-I27 HydrophobicContact CG2-CD1 3.71Å; I16-I27 HydrophobicContact CG2-CG1 3.98Å; I16-I27 HydrophobicContact CG2-CG2 4.35Å; I16-F82 HydrophobicContact CD1-CD1 3.64Å; I16-F82 HydrophobicContact CD1-CE1 3.65Å; I16-R83 HydrophobicContact CD1-CB 4.45Å; I16-R83 HydrophobicContact CG1-CB 4.16Å; I16-R83 HydrophobicContact CG1-CG 4.02Å; I16-M86 HydrophobicContact CG2-CB 3.77Å; I16-M86 HydrophobicContact CG2-CG 4.25Å |
| 17 | R | 94.4 | Very high | 91.2 | Very high | 137 Ų | 137 | 77 Ų | 77 | 52% | 0.517 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -65.3 | -21 | 175.3 | -73.7 | -177.3 | 68.3 | -167.1 | -3.7 | 113.2 | I13 E14 D15 I27 | I13-R17 HydrophobicContact CG2-CG 4.31Å; I13-R17 WeakPolarHBondContact O-CB 3.36Å; I13-R17 VanDerWaalsContact O-CG 3.26Å; I13-R17 WeakPolarHBondContact O-CG 3.3Å; I13-R17 PolarHBondContact O-N 3.12Å; E14-R17 PolarHBondContact O-N 3.4Å; D15-R17 VanDerWaalsContact C-N 3.29Å; D15-R17 PolarHBondContact O-N 2.82Å; R17-I27 HydrophobicContact CG-CD1 3.41Å; R17-I27 VanDerWaalsContact CG-CD1 3.41Å |
| 18 | K | 91.4 | Very high | 91.9 | Very high | 148 Ų | 148 | 71 Ų | 71 | 64% | 0.643 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -76.3 | -25.2 | 174 | -69.9 | 166.6 | -174.4 | 163.2 | 0 | 112.4 | E14 D15 I16 | E14-K18 WeakPolarHBondContact O-CG 3.3Å; E14-K18 PolarHBondContact O-N 3.43Å; E14-K18 VanDerWaalsContact O-N 3.17Å; E14-K18 VanDerWaalsContact OE1-CE 3.3Å; E14-K18 WeakPolarHBondContact OE1-CE 3.48Å; E14-K18 IonicContact OE1-NZ 3.32Å; E14-K18 PolarHBondContact OE1-NZ 3.1Å; D15-K18 WeakPolarHBondContact O-CB 3.38Å; D15-K18 PolarHBondContact O-N 3.43Å; I16-K18 PolarHBondContact O-N 3.17Å |
| 19 | C | 87.3 | Confident | 92.2 | Very high | 46 Ų | 46 | 75.2 Ų | 75.2 | 31% | 0.311 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -104.2 | -8.1 | 177.6 | 78.8 | 0 | 0 | 0 | 0 | 114.2 | I16 C87 | I16-C19 PolarHBondContact O-N 3.24Å; I16-C19 VanDerWaalsContact O-N 3.12Å; I16-C19 PolarHBondContact O-SG 3.29Å; I16-C19 VanDerWaalsContact O-SG 3.4Å; C19-C87 HydrophobicContact CB-CB 4.25Å; C19-C87 WeakPolarHBondContact CB-SG 3.37Å; C19-C87 WeakPolarHBondContact SG-CB 3.31Å; C19-C87 CovalentContact SG-SG 2.08Å; C19-C87 PolarHBondContact SG-SG 2.91Å |
| 20 | T | 90.4 | Very high | 92.3 | Very high | 11 Ų | 11 | 71.4 Ų | 71.4 | 7% | 0.067 | 35% | 0.35 | C | S | . | . | trans | -130.1 | 157.6 | -172.2 | 67.7 | 0 | 0 | 0 | 0 | 114.2 | I16 F22 M86 S90 | I16-T20 HydrophobicContact CG2-CG2 3.88Å; I16-T20 WeakPolarHBondContact O-CB 3.42Å; I16-T20 WeakPolarHBondContact O-CG2 3.47Å; I16-T20 PolarHBondContact O-N 3.42Å; I16-T20 PolarHBondContact O-OG1 3.1Å; T20-F22 HydrophobicContact CG2-CD2 4.17Å; T20-F22 PolarHBondContact O-N 3.41Å; T20-M86 HydrophobicContact CG2-CB 4.28Å; T20-M86 WeakPolarHBondContact CG2-O 3.43Å; T20-S90 WeakPolarHBondContact CA-OG 3.31Å | ||
| 21 | E | 88.3 | Confident | 92.4 | Very high | 135 Ų | 135 | 69.1 Ų | 69.1 | 63% | 0.631 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -89.7 | 17.5 | 171.9 | -59.5 | -62.8 | 150.7 | 0 | 0 | 112 | S90 R94 | E21-S90 PolarHBondContact N-OG 2.87Å; E21-R94 HydrophobicContact CB-CB 4.1Å; E21-R94 HydrophobicContact CG-CB 4.37Å; E21-R94 PolarHBondContact O-NH1 3.34Å |
| 22 | F | 92.6 | Very high | 92.4 | Very high | 10 Ų | 10 | 67.7 Ų | 67.7 | 4% | 0.044 | 32% | 0.322 | C | S | . | . | trans | -90.6 | 140.4 | -179.7 | -68.9 | -70.8 | 0 | 0 | 0 | 111.8 | T20 E26 I27 W30 M86 L89 R94 | T20-F22 HydrophobicContact CG2-CD2 4.17Å; T20-F22 PolarHBondContact O-N 3.41Å; F22-E26 HydrophobicContact CB-CB 4.3Å; F22-E26 HydrophobicContact CD1-CB 4.09Å; F22-I27 HydrophobicContact CB-CD1 4.29Å; F22-I27 HydrophobicContact CB-CG1 3.79Å; F22-W30 AromaticContact CE1-NE1 3.97Å; F22-M86 HydrophobicContact CB-CE 4.09Å; F22-M86 HydrophobicContact CD1-CE 4.36Å; F22-M86 HydrophobicContact CD2-CE 3.29Å; F22-M86 HydrophobicContact CE2-CE 3.72Å; F22-M86 HydrophobicContact CG-CE 3.68Å; F22-M86 HydrophobicContact CZ-CE 4.43Å; F22-L89 HydrophobicContact CE2-CB 4.31Å; F22-L89 HydrophobicContact CE2-CD2 4.13Å; F22-L89 HydrophobicContact CE2-CG 4.18Å; F22-L89 HydrophobicContact CZ-CB 4.49Å; F22-L89 HydrophobicContact CZ-CD2 3.77Å; F22-L89 HydrophobicContact CZ-CG 3.87Å; F22-R94 VanDerWaalsContact CD1-NH1 3.3Å; F22-R94 VanDerWaalsContact CE1-NE 3.35Å | ||
| 23 | S | 93.2 | Very high | 92.2 | Very high | 52 Ų | 52 | 67.8 Ų | 67.8 | 36% | 0.364 | 33% | 0.326 | S | S | . | . | trans | -72.3 | 160 | 170.1 | 65.4 | 0 | 0 | 0 | 0 | 111.3 | L25 E26 I27 | S23-L25 PolarHBondContact O-N 3.49Å; S23-E26 WeakPolarHBondContact CB-OE2 3.34Å; S23-E26 PolarHBondContact N-OE2 3.16Å; S23-E26 PolarHBondContact O-N 3.41Å; S23-E26 VanDerWaalsContact O-N 3.13Å; S23-E26 VanDerWaalsContact OG-CD 3.32Å; S23-E26 VanDerWaalsContact OG-CG 3.22Å; S23-E26 WeakPolarHBondContact OG-CG 3.22Å; S23-E26 PolarHBondContact OG-N 3.29Å; S23-E26 PolarHBondContact OG-OE2 3.12Å; S23-I27 WeakPolarHBondContact O-CG1 3.44Å; S23-I27 PolarHBondContact O-N 2.83Å | ||
| 24 | E | 93.5 | Very high | 92.1 | Very high | 96 Ų | 96 | 68.2 Ų | 68.2 | 45% | 0.449 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -56.1 | -38.7 | 176.1 | 168.4 | 167.5 | -173.7 | 0 | 0 | 112.8 | I13 I27 Q28 | I13-E24 HydrophobicContact CD1-CG 4.26Å; I13-E24 HydrophobicContact CG2-CB 3.98Å; I13-E24 HydrophobicContact CG2-CG 3.85Å; E24-I27 PolarHBondContact O-N 2.89Å; E24-Q28 VanDerWaalsContact O-CG 3.31Å; E24-Q28 WeakPolarHBondContact O-CG 3.48Å; E24-Q28 PolarHBondContact O-N 2.66Å |
| 25 | L | 92.5 | Very high | 91.9 | Very high | 137 Ų | 137 | 65 Ų | 65 | 72% | 0.717 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -65 | -44.6 | 176.9 | -67.6 | 176.9 | 0 | 0 | 0 | 111.5 | S23 Q28 E29 | S23-L25 PolarHBondContact O-N 3.49Å; L25-Q28 PolarHBondContact O-N 3.34Å; L25-E29 WeakPolarHBondContact O-CG 3.29Å; L25-E29 PolarHBondContact O-N 2.87Å |
| 26 | E | 93.3 | Very high | 91.7 | Very high | 63 Ų | 63 | 70.2 Ų | 70.2 | 29% | 0.294 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -63 | -43 | 177.3 | -69.9 | 169 | 124.6 | 0 | 0 | 111.4 | F22 S23 Q28 E29 W30 R94 | F22-E26 HydrophobicContact CB-CB 4.3Å; F22-E26 HydrophobicContact CD1-CB 4.09Å; S23-E26 WeakPolarHBondContact CB-OE2 3.34Å; S23-E26 PolarHBondContact N-OE2 3.16Å; S23-E26 PolarHBondContact O-N 3.41Å; S23-E26 VanDerWaalsContact O-N 3.13Å; S23-E26 VanDerWaalsContact OG-CD 3.32Å; S23-E26 VanDerWaalsContact OG-CG 3.22Å; S23-E26 WeakPolarHBondContact OG-CG 3.22Å; S23-E26 PolarHBondContact OG-N 3.29Å; S23-E26 PolarHBondContact OG-OE2 3.12Å; E26-Q28 VanDerWaalsContact C-N 3.31Å; E26-Q28 PolarHBondContact O-N 3.03Å; E26-E29 PolarHBondContact O-N 3.3Å; E26-W30 PolarHBondContact O-N 2.91Å; E26-R94 IonicContact OE1-CZ 2.85Å; E26-R94 IonicContact OE1-NH1 2.69Å; E26-R94 PolarHBondContact OE1-NH1 3.09Å; E26-R94 IonicContact OE1-NH2 3.85Å; E26-R94 PolarHBondContact OE1-NH2 3.04Å; E26-R94 IonicContact OE2-CZ 3.72Å; E26-R94 IonicContact OE2-NH1 2.67Å; E26-R94 PolarHBondContact OE2-NH1 2.8Å; E26-R94 VanDerWaalsContact OE2-NH1 3.12Å; E26-R94 IonicContact OE2-NH2 3.63Å |
| 27 | I | 94.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 75.8 Ų | 75.8 | 0% | 0 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -59.1 | -43.4 | 176.5 | -66.8 | 164.9 | 0 | 0 | 0 | 110.5 | L8 I13 I16 R17 F22 S23 E24 W30 Y31 F82 M86 | L8-I27 HydrophobicContact CD2-CG2 3.88Å; I13-I27 HydrophobicContact CG2-CD1 4.17Å; I16-I27 HydrophobicContact CB-CD1 4.21Å; I16-I27 HydrophobicContact CD1-CG2 4.19Å; I16-I27 HydrophobicContact CG2-CD1 3.71Å; I16-I27 HydrophobicContact CG2-CG1 3.98Å; I16-I27 HydrophobicContact CG2-CG2 4.35Å; R17-I27 HydrophobicContact CG-CD1 3.41Å; R17-I27 VanDerWaalsContact CG-CD1 3.41Å; F22-I27 HydrophobicContact CB-CD1 4.29Å; F22-I27 HydrophobicContact CB-CG1 3.79Å; S23-I27 WeakPolarHBondContact O-CG1 3.44Å; S23-I27 PolarHBondContact O-N 2.83Å; E24-I27 PolarHBondContact O-N 2.89Å; I27-W30 PolarHBondContact O-N 3.28Å; I27-Y31 VanDerWaalsContact O-CB 3.3Å; I27-Y31 WeakPolarHBondContact O-CB 3.3Å; I27-Y31 PolarHBondContact O-N 3.01Å; I27-F82 HydrophobicContact CG2-CE1 3.91Å; I27-F82 HydrophobicContact CG2-CZ 4.32Å; I27-F82 WeakPolarHBondContact O-CZ 3.26Å; I27-M86 HydrophobicContact CG1-CE 4.01Å |
| 28 | Q | 92.7 | Very high | 91 | Very high | 29 Ų | 29 | 69.6 Ų | 69.6 | 14% | 0.136 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -66.2 | -38.9 | 178 | -71.1 | -75.9 | 7.4 | 0 | 0 | 112.6 | L8 I13 E24 L25 E26 Y31 K32 | L8-Q28 PolarHBondContact O-NE2 2.94Å; I13-Q28 HydrophobicContact CD1-CG 4.38Å; E24-Q28 VanDerWaalsContact O-CG 3.31Å; E24-Q28 WeakPolarHBondContact O-CG 3.48Å; E24-Q28 PolarHBondContact O-N 2.66Å; L25-Q28 PolarHBondContact O-N 3.34Å; E26-Q28 VanDerWaalsContact C-N 3.31Å; E26-Q28 PolarHBondContact O-N 3.03Å; Q28-Y31 PolarHBondContact O-N 3.46Å; Q28-K32 WeakPolarHBondContact O-CG 3.4Å; Q28-K32 PolarHBondContact O-N 2.99Å; Q28-K32 VanDerWaalsContact O-N 3.1Å |
| 29 | E | 92.1 | Very high | 90.8 | Very high | 113 Ų | 113 | 67.1 Ų | 67.1 | 53% | 0.528 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -67.9 | -43.6 | 176.4 | -69.4 | -51.5 | 128.2 | 0 | 0 | 111.8 | L25 E26 Y31 K32 G33 | L25-E29 WeakPolarHBondContact O-CG 3.29Å; L25-E29 PolarHBondContact O-N 2.87Å; E26-E29 PolarHBondContact O-N 3.3Å; E29-Y31 VanDerWaalsContact C-N 3.3Å; E29-Y31 PolarHBondContact O-N 3.42Å; E29-K32 PolarHBondContact O-N 3.41Å; E29-K32 IonicContact OE1-NZ 2.67Å; E29-K32 PolarHBondContact OE1-NZ 3.16Å; E29-K32 IonicContact OE2-NZ 3.71Å; E29-G33 PolarHBondContact O-N 3.15Å; E29-G33 VanDerWaalsContact O-N 3.17Å |
| 30 | W | 92.2 | Very high | 91 | Very high | 101 Ų | 101 | 69.4 Ų | 69.4 | 38% | 0.383 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -60.6 | -40.2 | 172.7 | -80.5 | 114 | 0 | 0 | 0 | 112 | F22 E26 I27 K32 G33 F34 F82 F85 M86 L89 | F22-W30 AromaticContact CE1-NE1 3.97Å; E26-W30 PolarHBondContact O-N 2.91Å; I27-W30 PolarHBondContact O-N 3.28Å; W30-K32 VanDerWaalsContact C-N 3.34Å; W30-K32 PolarHBondContact O-N 2.85Å; W30-G33 PolarHBondContact O-N 2.75Å; W30-F34 VanDerWaalsContact O-CB 3.31Å; W30-F34 WeakPolarHBondContact O-CB 3.46Å; W30-F34 PolarHBondContact O-N 3.35Å; W30-F82 HydrophobicContact CB-CE2 4.05Å; W30-F82 HydrophobicContact CB-CZ 4Å; W30-F85 HydrophobicContact CD2-CE1 4.44Å; W30-F85 AromaticContact CE3-CE1 3.85Å; W30-F85 HydrophobicContact CE3-CE1 3.85Å; W30-F85 HydrophobicContact CE3-CZ 4.08Å; W30-F85 HydrophobicContact CZ3-CE1 4.33Å; W30-F85 HydrophobicContact CZ3-CZ 4.1Å; W30-M86 HydrophobicContact CB-CE 4.09Å; W30-M86 HydrophobicContact CB-SD 3.51Å; W30-M86 VanDerWaalsContact CB-SD 3.51Å; W30-M86 HydrophobicContact CG-CE 4.07Å; W30-M86 HydrophobicContact CG-SD 3.78Å; W30-L89 HydrophobicContact CD2-CD2 3.88Å; W30-L89 HydrophobicContact CE3-CD2 4.24Å; W30-L89 HydrophobicContact CG-CD2 4.48Å; W30-L89 HydrophobicContact CH2-CD2 4.01Å; W30-L89 HydrophobicContact CZ2-CD2 3.63Å; W30-L89 HydrophobicContact CZ3-CD2 4.29Å |
| 31 | Y | 93.2 | Very high | 90.9 | Very high | 43 Ų | 43 | 69.6 Ų | 69.6 | 17% | 0.169 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -62.7 | -40.3 | 178.3 | -174 | -116.5 | 0 | 0 | 0 | 112.4 | L8 I27 Q28 E29 F34 I35 F82 | L8-Y31 HydrophobicContact CB-CD1 3.86Å; L8-Y31 HydrophobicContact CB-CE1 4.1Å; L8-Y31 HydrophobicContact CB-CG 4.06Å; L8-Y31 HydrophobicContact CD1-CD2 3.98Å; L8-Y31 HydrophobicContact CD1-CE1 4.28Å; L8-Y31 HydrophobicContact CD1-CE2 3.7Å; L8-Y31 HydrophobicContact CD1-CG 4.38Å; I27-Y31 VanDerWaalsContact O-CB 3.3Å; I27-Y31 WeakPolarHBondContact O-CB 3.3Å; I27-Y31 PolarHBondContact O-N 3.01Å; Q28-Y31 PolarHBondContact O-N 3.46Å; E29-Y31 VanDerWaalsContact C-N 3.3Å; E29-Y31 PolarHBondContact O-N 3.42Å; Y31-F34 PolarHBondContact O-N 3.37Å; Y31-I35 HydrophobicContact CD1-CG1 4.36Å; Y31-I35 HydrophobicContact CD2-CG1 3.97Å; Y31-I35 HydrophobicContact CE1-CG1 3.96Å; Y31-I35 HydrophobicContact CE2-CD1 3.76Å; Y31-I35 HydrophobicContact CE2-CG1 3.53Å; Y31-I35 HydrophobicContact CG-CG1 4.38Å; Y31-I35 WeakPolarHBondContact O-CB 3.45Å; Y31-I35 WeakPolarHBondContact O-CG1 3.43Å; Y31-I35 PolarHBondContact O-N 3.4Å; Y31-F82 VanDerWaalsContact CA-CE2 3.42Å; Y31-F82 VanDerWaalsContact CA-CZ 3.4Å; Y31-F82 HydrophobicContact CD2-CB 4.3Å; Y31-F82 AromaticContact CD2-CD1 3.5Å; Y31-F82 HydrophobicContact CD2-CD1 3.5Å; Y31-F82 AromaticContact CD2-CD2 3.95Å; Y31-F82 HydrophobicContact CD2-CD2 3.95Å; Y31-F82 AromaticContact CD2-CE1 3.73Å; Y31-F82 HydrophobicContact CD2-CE1 3.73Å; Y31-F82 HydrophobicContact CD2-CE2 4.16Å; Y31-F82 AromaticContact CD2-CG 3.62Å; Y31-F82 HydrophobicContact CD2-CG 3.62Å; Y31-F82 HydrophobicContact CD2-CZ 4.06Å; Y31-F82 HydrophobicContact CE2-CB 4.43Å; Y31-F82 HydrophobicContact CE2-CD1 4.21Å; Y31-F82 HydrophobicContact CE2-CG 4.22Å; Y31-F82 HydrophobicContact CG-CD1 4.36Å; Y31-F82 HydrophobicContact CG-CE1 4.15Å; Y31-F82 HydrophobicContact CG-CZ 4.29Å; Y31-F82 VanDerWaalsContact N-CZ 3.29Å |
| 32 | K | 90.9 | Very high | 91.2 | Very high | 96 Ų | 96 | 67.1 Ų | 67.1 | 42% | 0.417 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62.2 | -44.1 | 175.2 | -70.7 | 169.7 | -172.6 | 169.8 | 0 | 111.8 | Q28 E29 W30 K36 | Q28-K32 WeakPolarHBondContact O-CG 3.4Å; Q28-K32 PolarHBondContact O-N 2.99Å; Q28-K32 VanDerWaalsContact O-N 3.1Å; E29-K32 PolarHBondContact O-N 3.41Å; E29-K32 IonicContact OE1-NZ 2.67Å; E29-K32 PolarHBondContact OE1-NZ 3.16Å; E29-K32 IonicContact OE2-NZ 3.71Å; W30-K32 VanDerWaalsContact C-N 3.34Å; W30-K32 PolarHBondContact O-N 2.85Å; K32-K36 VanDerWaalsContact O-CB 3.3Å; K32-K36 WeakPolarHBondContact O-CB 3.23Å; K32-K36 PolarHBondContact O-N 2.96Å; K32-K36 VanDerWaalsContact O-N 3.1Å |
| 33 | G | 88.5 | Confident | 91.2 | Very high | 29 Ų | 29 | 67 Ų | 67 | 30% | 0.299 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62.7 | -48.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | E29 W30 I35 K36 D37 | E29-G33 PolarHBondContact O-N 3.15Å; E29-G33 VanDerWaalsContact O-N 3.17Å; W30-G33 PolarHBondContact O-N 2.75Å; G33-I35 PolarHBondContact O-N 2.94Å; G33-K36 WeakPolarHBondContact O-CB 3.42Å; G33-K36 PolarHBondContact O-N 2.99Å; G33-K36 VanDerWaalsContact O-N 3.12Å; G33-D37 PolarHBondContact O-N 2.78Å |
| 34 | F | 89.6 | Confident | 91.1 | Very high | 12 Ų | 12 | 67.3 Ų | 67.3 | 5% | 0.053 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -59.8 | -46.9 | -179.3 | -171.1 | -89.8 | 0 | 0 | 0 | 112.6 | W30 Y31 K36 D37 C38 G41 L43 F82 F85 | W30-F34 VanDerWaalsContact O-CB 3.31Å; W30-F34 WeakPolarHBondContact O-CB 3.46Å; W30-F34 PolarHBondContact O-N 3.35Å; Y31-F34 PolarHBondContact O-N 3.37Å; F34-K36 VanDerWaalsContact C-N 3.3Å; F34-K36 PolarHBondContact O-N 3.12Å; F34-D37 PolarHBondContact O-N 3.26Å; F34-C38 HydrophobicContact CD1-CB 4.48Å; F34-C38 HydrophobicContact CE1-CB 4.2Å; F34-C38 WeakPolarHBondContact O-CA 3.43Å; F34-C38 WeakPolarHBondContact O-CB 3.39Å; F34-C38 PolarHBondContact O-N 2.67Å; F34-G41 WeakPolarHBondContact CE1-O 3.36Å; F34-L43 HydrophobicContact CE2-CB 4.33Å; F34-L43 HydrophobicContact CZ-CB 4.21Å; F34-F82 HydrophobicContact CB-CD2 3.61Å; F34-F82 HydrophobicContact CB-CE2 3.84Å; F34-F82 HydrophobicContact CD1-CB 4.03Å; F34-F82 AromaticContact CD1-CD2 3.8Å; F34-F82 HydrophobicContact CD1-CD2 3.8Å; F34-F82 HydrophobicContact CD1-CG 4.34Å; F34-F82 AromaticContact CD2-CD2 3.99Å; F34-F82 HydrophobicContact CD2-CD2 3.99Å; F34-F82 HydrophobicContact CE1-CB 4.01Å; F34-F82 HydrophobicContact CE1-CD2 4.45Å; F34-F82 AromaticContact CG-CD2 3.53Å; F34-F82 HydrophobicContact CG-CD2 3.53Å; F34-F82 HydrophobicContact CG-CE2 4.23Å; F34-F82 HydrophobicContact CG-CG 4.48Å; F34-F85 HydrophobicContact CD2-CB 4.27Å; F34-F85 AromaticContact CD2-CD1 3.92Å; F34-F85 HydrophobicContact CD2-CD1 3.92Å; F34-F85 HydrophobicContact CD2-CD2 4.36Å; F34-F85 HydrophobicContact CD2-CE1 4.38Å; F34-F85 AromaticContact CD2-CG 3.91Å; F34-F85 HydrophobicContact CD2-CG 3.91Å; F34-F85 HydrophobicContact CE2-CB 3.85Å; F34-F85 HydrophobicContact CE2-CD1 4.35Å; F34-F85 HydrophobicContact CE2-CD2 4.26Å; F34-F85 AromaticContact CE2-CG 3.89Å; F34-F85 HydrophobicContact CE2-CG 3.89Å |
| 35 | I | 91 | Very high | 91 | Very high | 43 Ų | 43 | 64.1 Ų | 64.1 | 22% | 0.221 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -70.8 | -26.2 | 177.7 | -65.1 | -62.3 | 0 | 0 | 0 | 112.5 | Y31 G33 D37 C38 P39 | Y31-I35 HydrophobicContact CD1-CG1 4.36Å; Y31-I35 HydrophobicContact CD2-CG1 3.97Å; Y31-I35 HydrophobicContact CE1-CG1 3.96Å; Y31-I35 HydrophobicContact CE2-CD1 3.76Å; Y31-I35 HydrophobicContact CE2-CG1 3.53Å; Y31-I35 HydrophobicContact CG-CG1 4.38Å; Y31-I35 WeakPolarHBondContact O-CB 3.45Å; Y31-I35 WeakPolarHBondContact O-CG1 3.43Å; Y31-I35 PolarHBondContact O-N 3.4Å; G33-I35 PolarHBondContact O-N 2.94Å; I35-D37 VanDerWaalsContact C-N 3.34Å; I35-C38 CarbonylContact O-C 3.54Å; I35-P39 VanDerWaalsContact O-CA 3.26Å; I35-P39 WeakPolarHBondContact O-CA 3.4Å |
| 36 | K | 88.5 | Confident | 91 | Very high | 169 Ų | 169 | 62.4 Ų | 62.4 | 74% | 0.735 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -66.7 | -40.3 | 173.3 | -179.7 | -171.8 | 172.5 | -165.2 | 0 | 110.9 | K32 G33 F34 | K32-K36 VanDerWaalsContact O-CB 3.3Å; K32-K36 WeakPolarHBondContact O-CB 3.23Å; K32-K36 PolarHBondContact O-N 2.96Å; K32-K36 VanDerWaalsContact O-N 3.1Å; G33-K36 WeakPolarHBondContact O-CB 3.42Å; G33-K36 PolarHBondContact O-N 2.99Å; G33-K36 VanDerWaalsContact O-N 3.12Å; F34-K36 VanDerWaalsContact C-N 3.3Å; F34-K36 PolarHBondContact O-N 3.12Å |
| 37 | D | 85.7 | Confident | 90.9 | Very high | 122 Ų | 122 | 62.5 Ų | 62.5 | 65% | 0.652 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -85.2 | -32.4 | -178.6 | -62 | -23.5 | 0 | 0 | 0 | 112 | G33 F34 I35 | G33-D37 PolarHBondContact O-N 2.78Å; F34-D37 PolarHBondContact O-N 3.26Å; I35-D37 VanDerWaalsContact C-N 3.34Å |
| 38 | C | 88.9 | Confident | 90.7 | Very high | 7 Ų | 7 | 62.7 Ų | 62.7 | 5% | 0.047 | 32% | 0.322 | C | S | . | . | trans | -126.4 | 80.2 | 179.9 | -48.9 | 0 | 0 | 0 | 0 | 110.4 | F34 I35 D40 G41 | F34-C38 HydrophobicContact CD1-CB 4.48Å; F34-C38 HydrophobicContact CE1-CB 4.2Å; F34-C38 WeakPolarHBondContact O-CA 3.43Å; F34-C38 WeakPolarHBondContact O-CB 3.39Å; F34-C38 PolarHBondContact O-N 2.67Å; I35-C38 CarbonylContact O-C 3.54Å; C38-D40 PolarHBondContact O-N 3.02Å; C38-D40 VanDerWaalsContact O-N 3.15Å; C38-G41 PolarHBondContact O-N 3.47Å | ||
| 39 | P | 88.4 | Confident | 90.6 | Very high | 95 Ų | 95 | 63.8 Ų | 63.8 | 62% | 0.617 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -20.7 | -172.1 | -25.6 | 35.8 | 0 | 0 | 0 | 116.1 | I35 | I35-P39 VanDerWaalsContact O-CA 3.26Å; I35-P39 WeakPolarHBondContact O-CA 3.4Å |
| 40 | D | 90.1 | Very high | 90.4 | Very high | 95 Ų | 95 | 65.1 Ų | 65.1 | 51% | 0.508 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | -14.6 | 174.2 | 58.3 | 1.4 | 0 | 0 | 0 | 113.1 | C38 H42 | C38-D40 PolarHBondContact O-N 3.02Å; C38-D40 VanDerWaalsContact O-N 3.15Å; D40-H42 PolarHBondContact OD1-N 2.84Å; D40-H42 VanDerWaalsContact OD1-N 3.16Å; D40-H42 VanDerWaalsContact OD1-O 3.12Å |
| 41 | G | 90.1 | Very high | 90.2 | Very high | 15 Ų | 15 | 63.5 Ų | 63.5 | 16% | 0.155 | 33% | 0.328 | C | S | . | . | S | Bend | trans | 91.6 | 11.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | F34 C38 | F34-G41 WeakPolarHBondContact CE1-O 3.36Å; C38-G41 PolarHBondContact O-N 3.47Å |
| 42 | H | 93.1 | Very high | 89.8 | Confident | 83 Ų | 83 | 61.5 Ų | 61.5 | 38% | 0.384 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 138.4 | -179.3 | -64.1 | -71.6 | 0 | 0 | 0 | 110.2 | D40 S79 | D40-H42 PolarHBondContact OD1-N 2.84Å; D40-H42 VanDerWaalsContact OD1-N 3.16Å; D40-H42 VanDerWaalsContact OD1-O 3.12Å; H42-S79 PolarHBondContact ND1-OG 2.97Å |
| 43 | L | 92.1 | Very high | 89.7 | Confident | 8 Ų | 8 | 59.7 Ų | 59.7 | 4% | 0.042 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 111.4 | 174.8 | 179.8 | 59.5 | 0 | 0 | 0 | 108.5 | F34 E47 F48 I51 F69 I80 | F34-L43 HydrophobicContact CE2-CB 4.33Å; F34-L43 HydrophobicContact CZ-CB 4.21Å; L43-E47 HydrophobicContact CD1-CB 3.43Å; L43-E47 VanDerWaalsContact CD1-CB 3.43Å; L43-F48 HydrophobicContact CD2-CD2 3.61Å; L43-F48 HydrophobicContact CD2-CE2 4.34Å; L43-F48 HydrophobicContact CG-CB 4.31Å; L43-F48 HydrophobicContact CG-CD2 4.18Å; L43-I51 HydrophobicContact CD1-CD1 3.99Å; L43-I51 HydrophobicContact CD2-CD1 3.97Å; L43-F69 WeakPolarHBondContact O-CE2 3.39Å; L43-I80 HydrophobicContact CB-CB 4.33Å; L43-I80 PolarHBondContact N-O 3.04Å; L43-I80 PolarHBondContact O-N 3.17Å |
| 44 | N | 92.9 | Very high | 89.6 | Confident | 57 Ų | 57 | 67.7 Ų | 67.7 | 31% | 0.305 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 166.6 | 179.6 | 64.2 | 58.7 | 0 | 0 | 0 | 112 | D46 E47 F48 F69 | N44-D46 VanDerWaalsContact C-N 3.27Å; N44-D46 PolarHBondContact O-N 3.22Å; N44-D46 PolarHBondContact OD1-N 3.06Å; N44-E47 VanDerWaalsContact CG-OE2 3.31Å; N44-E47 PolarHBondContact N-OE2 3.15Å; N44-E47 VanDerWaalsContact N-OE2 3.15Å; N44-E47 PolarHBondContact ND2-OE1 3Å; N44-E47 PolarHBondContact ND2-OE2 3.05Å; N44-E47 PolarHBondContact O-N 3.35Å; N44-E47 WeakPolarHBondContact OD1-CG 3.4Å; N44-E47 PolarHBondContact OD1-N 2.97Å; N44-F48 WeakPolarHBondContact O-CB 3.39Å; N44-F48 PolarHBondContact O-N 3.22Å; N44-F69 VanDerWaalsContact C-CE2 3.5Å |
| 45 | A | 91.8 | Very high | 89.1 | Confident | 30 Ų | 30 | 70.7 Ų | 70.7 | 25% | 0.248 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -58.4 | -35.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | F48 K49 F69 | A45-F48 PolarHBondContact O-N 3.01Å; A45-K49 WeakPolarHBondContact O-CB 3.48Å; A45-K49 VanDerWaalsContact O-CG 3.23Å; A45-K49 WeakPolarHBondContact O-CG 3.49Å; A45-K49 PolarHBondContact O-N 2.86Å; A45-F69 VanDerWaalsContact CA-CE2 3.46Å; A45-F69 HydrophobicContact CB-CD1 4.15Å; A45-F69 HydrophobicContact CB-CD2 4.17Å; A45-F69 HydrophobicContact CB-CE1 4.04Å; A45-F69 HydrophobicContact CB-CE2 4.03Å; A45-F69 HydrophobicContact CB-CG 4.23Å; A45-F69 HydrophobicContact CB-CZ 3.97Å; A45-F69 VanDerWaalsContact N-CE2 3.3Å |
| 46 | D | 91.7 | Very high | 88.7 | Confident | 101 Ų | 101 | 70.3 Ų | 70.3 | 54% | 0.54 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -73.7 | -39.2 | -179 | -73.9 | -25.5 | 0 | 0 | 0 | 112 | N44 K50 | N44-D46 VanDerWaalsContact C-N 3.27Å; N44-D46 PolarHBondContact O-N 3.22Å; N44-D46 PolarHBondContact OD1-N 3.06Å; D46-K50 VanDerWaalsContact O-CG 3.28Å; D46-K50 WeakPolarHBondContact O-CG 3.44Å; D46-K50 PolarHBondContact O-N 2.92Å; D46-K50 VanDerWaalsContact O-N 3.08Å |
| 47 | E | 90.5 | Very high | 88.4 | Confident | 65 Ų | 65 | 66.5 Ų | 66.5 | 30% | 0.304 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -64.1 | -43.2 | 171.5 | -73.1 | 160 | -178.6 | 0 | 0 | 111.3 | L43 N44 K49 K50 I51 | L43-E47 HydrophobicContact CD1-CB 3.43Å; L43-E47 VanDerWaalsContact CD1-CB 3.43Å; N44-E47 VanDerWaalsContact CG-OE2 3.31Å; N44-E47 PolarHBondContact N-OE2 3.15Å; N44-E47 VanDerWaalsContact N-OE2 3.15Å; N44-E47 PolarHBondContact ND2-OE1 3Å; N44-E47 PolarHBondContact ND2-OE2 3.05Å; N44-E47 PolarHBondContact O-N 3.35Å; N44-E47 WeakPolarHBondContact OD1-CG 3.4Å; N44-E47 PolarHBondContact OD1-N 2.97Å; E47-K49 PolarHBondContact O-N 3.1Å; E47-K50 WeakPolarHBondContact O-CB 3.34Å; E47-K50 PolarHBondContact O-N 3.44Å; E47-K50 VanDerWaalsContact O-N 3.1Å; E47-I51 WeakPolarHBondContact O-CG1 3.47Å; E47-I51 PolarHBondContact O-N 3.32Å |
| 48 | F | 89.9 | Confident | 88.4 | Confident | 3 Ų | 3 | 70 Ų | 70 | 1% | 0.013 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -60 | -44.7 | 176.7 | -165.8 | -98.6 | 0 | 0 | 0 | 112.1 | L43 N44 A45 K50 I51 Y52 A65 V68 F69 F72 I80 F189 | L43-F48 HydrophobicContact CD2-CD2 3.61Å; L43-F48 HydrophobicContact CD2-CE2 4.34Å; L43-F48 HydrophobicContact CG-CB 4.31Å; L43-F48 HydrophobicContact CG-CD2 4.18Å; N44-F48 WeakPolarHBondContact O-CB 3.39Å; N44-F48 PolarHBondContact O-N 3.22Å; A45-F48 PolarHBondContact O-N 3.01Å; F48-K50 VanDerWaalsContact C-N 3.31Å; F48-K50 PolarHBondContact O-N 2.83Å; F48-I51 WeakPolarHBondContact O-CB 3.43Å; F48-I51 PolarHBondContact O-N 2.94Å; F48-Y52 HydrophobicContact CD1-CD2 4.03Å; F48-Y52 HydrophobicContact CD1-CE2 4.14Å; F48-Y52 AromaticContact CE1-CD2 3.7Å; F48-Y52 HydrophobicContact CE1-CD2 3.7Å; F48-Y52 AromaticContact CE1-CE2 3.34Å; F48-Y52 HydrophobicContact CE1-CE2 3.34Å; F48-Y52 HydrophobicContact CE2-CE2 4.4Å; F48-Y52 HydrophobicContact CZ-CD2 4.18Å; F48-Y52 AromaticContact CZ-CE2 3.51Å; F48-Y52 HydrophobicContact CZ-CE2 3.51Å; F48-Y52 PolarHBondContact O-N 3.1Å; F48-A65 HydrophobicContact CD1-CB 4.14Å; F48-A65 HydrophobicContact CE1-CB 4.36Å; F48-A65 WeakPolarHBondContact CE1-O 3.35Å; F48-V68 HydrophobicContact CE1-CB 3.89Å; F48-V68 HydrophobicContact CE1-CG1 3.83Å; F48-V68 HydrophobicContact CZ-CB 4.17Å; F48-V68 HydrophobicContact CZ-CG1 3.57Å; F48-F69 HydrophobicContact CB-CD2 3.71Å; F48-F69 HydrophobicContact CB-CE2 4.27Å; F48-F69 HydrophobicContact CD1-CB 3.89Å; F48-F69 HydrophobicContact CD1-CD2 4.05Å; F48-F69 HydrophobicContact CD1-CG 4.49Å; F48-F69 HydrophobicContact CD2-CD2 4.35Å; F48-F69 HydrophobicContact CE1-CB 4.16Å; F48-F69 HydrophobicContact CG-CB 4.48Å; F48-F69 AromaticContact CG-CD2 3.79Å; F48-F69 HydrophobicContact CG-CD2 3.79Å; F48-F72 HydrophobicContact CE2-CD1 4.1Å; F48-F72 HydrophobicContact CE2-CE1 4.33Å; F48-F72 HydrophobicContact CZ-CD1 4.11Å; F48-F72 HydrophobicContact CZ-CE1 4.21Å; F48-I80 HydrophobicContact CD2-CD1 3.8Å; F48-I80 HydrophobicContact CE2-CD1 3.88Å; F48-I80 HydrophobicContact CG-CD1 4.38Å; F48-I80 HydrophobicContact CZ-CD1 4.5Å; F48-F189 HydrophobicContact CE2-CZ 4.21Å; F48-F189 AromaticContact CZ-CZ 3.92Å; F48-F189 HydrophobicContact CZ-CZ 3.92Å |
| 49 | K | 90.8 | Very high | 88.2 | Confident | 52 Ų | 52 | 70.9 Ų | 70.9 | 23% | 0.226 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -61 | -38 | 173.8 | -73.4 | 173.6 | -154.6 | -171 | 0 | 112.4 | A45 E47 I51 Y52 A53 A65 E66 | A45-K49 WeakPolarHBondContact O-CB 3.48Å; A45-K49 VanDerWaalsContact O-CG 3.23Å; A45-K49 WeakPolarHBondContact O-CG 3.49Å; A45-K49 PolarHBondContact O-N 2.86Å; E47-K49 PolarHBondContact O-N 3.1Å; K49-I51 VanDerWaalsContact C-N 3.34Å; K49-Y52 PolarHBondContact O-N 2.65Å; K49-A53 WeakPolarHBondContact O-CB 3.4Å; K49-A53 PolarHBondContact O-N 3.14Å; K49-A65 HydrophobicContact CG-CB 3.97Å; K49-E66 HydrophobicContact CD-CG 4.41Å; K49-E66 WeakPolarHBondContact CE-OE1 3.45Å; K49-E66 IonicContact NZ-OE1 3.83Å; K49-E66 PolarHBondContact NZ-OE1 3.48Å |
| 50 | K | 89.2 | Confident | 88.3 | Confident | 141 Ų | 141 | 69.7 Ų | 69.7 | 61% | 0.613 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -63.9 | -38.5 | 176.5 | -72.1 | 166.7 | -170.5 | 165.6 | 0 | 111.9 | D46 E47 F48 Y52 A53 Y54 | D46-K50 VanDerWaalsContact O-CG 3.28Å; D46-K50 WeakPolarHBondContact O-CG 3.44Å; D46-K50 PolarHBondContact O-N 2.92Å; D46-K50 VanDerWaalsContact O-N 3.08Å; E47-K50 WeakPolarHBondContact O-CB 3.34Å; E47-K50 PolarHBondContact O-N 3.44Å; E47-K50 VanDerWaalsContact O-N 3.1Å; F48-K50 VanDerWaalsContact C-N 3.31Å; F48-K50 PolarHBondContact O-N 2.83Å; K50-Y52 VanDerWaalsContact C-N 3.34Å; K50-A53 PolarHBondContact O-N 2.76Å; K50-Y54 WeakPolarHBondContact O-CB 3.24Å; K50-Y54 PolarHBondContact O-N 3.35Å |
| 51 | I | 86.3 | Confident | 88.2 | Confident | 68 Ų | 68 | 65.3 Ų | 65.3 | 35% | 0.349 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -58.8 | -49.6 | 174.3 | -64.3 | 167.8 | 0 | 0 | 0 | 109.5 | L43 E47 F48 K49 A53 Y54 L55 F189 | L43-I51 HydrophobicContact CD1-CD1 3.99Å; L43-I51 HydrophobicContact CD2-CD1 3.97Å; E47-I51 WeakPolarHBondContact O-CG1 3.47Å; E47-I51 PolarHBondContact O-N 3.32Å; F48-I51 WeakPolarHBondContact O-CB 3.43Å; F48-I51 PolarHBondContact O-N 2.94Å; K49-I51 VanDerWaalsContact C-N 3.34Å; I51-A53 PolarHBondContact O-N 2.77Å; I51-Y54 WeakPolarHBondContact O-CB 3.31Å; I51-Y54 PolarHBondContact O-N 3.43Å; I51-L55 HydrophobicContact CG2-CD1 3.96Å; I51-L55 WeakPolarHBondContact O-CG 3.2Å; I51-L55 PolarHBondContact O-N 3.48Å; I51-F189 HydrophobicContact CG2-CE1 4.42Å |
| 52 | Y | 85.7 | Confident | 88.3 | Confident | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -62.9 | -41.7 | 177.6 | -94.3 | -88.8 | 0 | 0 | 0 | 113.5 | F48 K49 K50 Y54 L55 F56 A61 F64 A65 M131 G186 F189 | F48-Y52 HydrophobicContact CD1-CD2 4.03Å; F48-Y52 HydrophobicContact CD1-CE2 4.14Å; F48-Y52 AromaticContact CE1-CD2 3.7Å; F48-Y52 HydrophobicContact CE1-CD2 3.7Å; F48-Y52 AromaticContact CE1-CE2 3.34Å; F48-Y52 HydrophobicContact CE1-CE2 3.34Å; F48-Y52 HydrophobicContact CE2-CE2 4.4Å; F48-Y52 HydrophobicContact CZ-CD2 4.18Å; F48-Y52 AromaticContact CZ-CE2 3.51Å; F48-Y52 HydrophobicContact CZ-CE2 3.51Å; F48-Y52 PolarHBondContact O-N 3.1Å; K49-Y52 PolarHBondContact O-N 2.65Å; K50-Y52 VanDerWaalsContact C-N 3.34Å; Y52-Y54 VanDerWaalsContact C-N 3.26Å; Y52-Y54 PolarHBondContact O-N 2.85Å; Y52-L55 PolarHBondContact O-N 2.88Å; Y52-F56 AromaticContact CD1-CD2 3.82Å; Y52-F56 HydrophobicContact CD1-CD2 3.82Å; Y52-F56 AromaticContact CD1-CE2 3.71Å; Y52-F56 HydrophobicContact CD1-CE2 3.71Å; Y52-F56 HydrophobicContact CE1-CD2 4.42Å; Y52-F56 AromaticContact CE1-CE2 3.85Å; Y52-F56 HydrophobicContact CE1-CE2 3.85Å; Y52-F56 WeakPolarHBondContact O-CD2 3.45Å; Y52-F56 PolarHBondContact O-N 3.5Å; Y52-A61 HydrophobicContact CD1-CB 4.04Å; Y52-A61 HydrophobicContact CG-CB 4.42Å; Y52-F64 HydrophobicContact CD1-CD1 4.43Å; Y52-F64 AromaticContact CE1-CD1 3.8Å; Y52-F64 HydrophobicContact CE1-CD1 3.8Å; Y52-F64 HydrophobicContact CE1-CE1 4.09Å; Y52-A65 HydrophobicContact CD1-CB 4.38Å; Y52-A65 HydrophobicContact CD2-CB 3.72Å; Y52-A65 HydrophobicContact CE2-CB 4.42Å; Y52-A65 HydrophobicContact CG-CB 3.69Å; Y52-M131 HydrophobicContact CD1-SD 4.21Å; Y52-M131 HydrophobicContact CE1-SD 4.35Å; Y52-G186 VanDerWaalsContact CE1-O 3.23Å; Y52-G186 WeakPolarHBondContact CE1-O 3.4Å; Y52-G186 PolarHBondContact OH-O 2.78Å; Y52-F189 HydrophobicContact CD2-CE1 4.15Å; Y52-F189 AromaticContact CE2-CE1 3.4Å; Y52-F189 HydrophobicContact CE2-CE1 3.4Å; Y52-F189 AromaticContact CE2-CZ 3.46Å; Y52-F189 HydrophobicContact CE2-CZ 3.46Å; Y52-F189 VanDerWaalsContact CE2-CZ 3.46Å; Y52-F189 AromaticContact CZ-CE1 3.7Å; Y52-F189 AromaticContact CZ-CZ 3.67Å; Y52-F189 VanDerWaalsContact OH-CZ 3.25Å; Y52-F189 WeakPolarHBondContact OH-CZ 3.05Å |
| 53 | A | 88.4 | Confident | 88.3 | Confident | 59 Ų | 59 | 66.8 Ų | 66.8 | 49% | 0.488 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -62 | -35.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | K49 K50 I51 F56 | K49-A53 WeakPolarHBondContact O-CB 3.4Å; K49-A53 PolarHBondContact O-N 3.14Å; K50-A53 PolarHBondContact O-N 2.76Å; I51-A53 PolarHBondContact O-N 2.77Å; A53-F56 CarbonylContact O-C 3.45Å |
| 54 | Y | 86 | Confident | 88.2 | Confident | 197 Ų | 197 | 66.4 Ų | 66.4 | 77% | 0.773 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -69.7 | -39.7 | 174.8 | 178.8 | -97.1 | 0 | 0 | 0 | 112.5 | K50 I51 Y52 | K50-Y54 WeakPolarHBondContact O-CB 3.24Å; K50-Y54 PolarHBondContact O-N 3.35Å; I51-Y54 WeakPolarHBondContact O-CB 3.31Å; I51-Y54 PolarHBondContact O-N 3.43Å; Y52-Y54 VanDerWaalsContact C-N 3.26Å; Y52-Y54 PolarHBondContact O-N 2.85Å |
| 55 | L | 80.2 | Confident | 88.1 | Confident | 74 Ų | 74 | 63.7 Ų | 63.7 | 39% | 0.387 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -73.9 | -31.1 | 179.9 | -67.8 | 174.3 | 0 | 0 | 0 | 113.2 | I51 Y52 P57 F189 | I51-L55 HydrophobicContact CG2-CD1 3.96Å; I51-L55 WeakPolarHBondContact O-CG 3.2Å; I51-L55 PolarHBondContact O-N 3.48Å; Y52-L55 PolarHBondContact O-N 2.88Å; L55-P57 VanDerWaalsContact O-CD 3.25Å; L55-P57 WeakPolarHBondContact O-CD 3.22Å; L55-F189 HydrophobicContact CD1-CD1 3.72Å; L55-F189 HydrophobicContact CD1-CE1 4.34Å |
| 56 | F | 83.2 | Confident | 88.2 | Confident | 35 Ų | 35 | 65.5 Ų | 65.5 | 15% | 0.154 | 33% | 0.327 | C | S | . | . | trans | -119.8 | 62.8 | -178.5 | -61.5 | -84.8 | 0 | 0 | 0 | 111.3 | Y52 A53 Y58 G59 A61 M131 I132 | Y52-F56 AromaticContact CD1-CD2 3.82Å; Y52-F56 HydrophobicContact CD1-CD2 3.82Å; Y52-F56 AromaticContact CD1-CE2 3.71Å; Y52-F56 HydrophobicContact CD1-CE2 3.71Å; Y52-F56 HydrophobicContact CE1-CD2 4.42Å; Y52-F56 AromaticContact CE1-CE2 3.85Å; Y52-F56 HydrophobicContact CE1-CE2 3.85Å; Y52-F56 WeakPolarHBondContact O-CD2 3.45Å; Y52-F56 PolarHBondContact O-N 3.5Å; A53-F56 CarbonylContact O-C 3.45Å; F56-Y58 PolarHBondContact O-N 3.23Å; F56-Y58 VanDerWaalsContact O-N 3.08Å; F56-G59 PolarHBondContact O-N 3.34Å; F56-G59 VanDerWaalsContact O-N 3.14Å; F56-A61 HydrophobicContact CB-CB 4.08Å; F56-A61 HydrophobicContact CD2-CB 4.18Å; F56-A61 HydrophobicContact CG-CB 4.41Å; F56-M131 HydrophobicContact CB-CG 4.21Å; F56-M131 HydrophobicContact CD1-CG 3.97Å; F56-M131 HydrophobicContact CD1-SD 4.38Å; F56-M131 HydrophobicContact CD2-CG 4.28Å; F56-M131 HydrophobicContact CD2-SD 3.97Å; F56-M131 HydrophobicContact CE1-CG 4.43Å; F56-M131 HydrophobicContact CE1-SD 4.38Å; F56-M131 HydrophobicContact CE2-SD 3.99Å; F56-M131 HydrophobicContact CG-CG 3.89Å; F56-M131 HydrophobicContact CG-SD 4.18Å; F56-M131 HydrophobicContact CZ-CE 4.4Å; F56-M131 HydrophobicContact CZ-SD 4.2Å; F56-I132 HydrophobicContact CD1-CG2 3.92Å; F56-I132 HydrophobicContact CE1-CG2 3.79Å | ||
| 57 | P | 81.8 | Confident | 88.2 | Confident | 89 Ų | 89 | 61 Ų | 61 | 58% | 0.578 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -14.8 | -170.9 | 28.4 | -36.4 | 0 | 0 | 0 | 114.2 | L55 | L55-P57 VanDerWaalsContact O-CD 3.25Å; L55-P57 WeakPolarHBondContact O-CD 3.22Å |
| 58 | Y | 85.1 | Confident | 88.2 | Confident | 195 Ų | 195 | 57.9 Ų | 57.9 | 77% | 0.765 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.7 | -1.4 | -179.4 | -56.1 | -70.1 | 0 | 0 | 0 | 113.6 | F56 | F56-Y58 PolarHBondContact O-N 3.23Å; F56-Y58 VanDerWaalsContact O-N 3.08Å |
| 59 | G | 84.9 | Confident | 88.3 | Confident | 27 Ų | 27 | 58.6 Ų | 58.6 | 28% | 0.278 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -127.3 | 173.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | F56 M131 | F56-G59 PolarHBondContact O-N 3.34Å; F56-G59 VanDerWaalsContact O-N 3.14Å; G59-M131 WeakPolarHBondContact CA-O 3.43Å |
| 60 | D | 90 | Very high | 88.4 | Confident | 70 Ų | 70 | 59.6 Ų | 59.6 | 37% | 0.374 | 29% | 0.293 | S | S | . | . | trans | -102.2 | 95.6 | 169 | 175 | 15.7 | 0 | 0 | 0 | 109.3 | S62 K130 M131 | D60-S62 VanDerWaalsContact C-N 3.32Å; D60-S62 WeakPolarHBondContact OD1-CB 3.4Å; D60-S62 PolarHBondContact OD1-N 3.29Å; D60-S62 PolarHBondContact OD1-OG 3.14Å; D60-K130 HydrophobicContact CB-CB 4.22Å; D60-K130 PolarHBondContact N-O 3.33Å; D60-K130 CarbonylContact O-C 3.33Å; D60-M131 WeakPolarHBondContact O-CA 3.29Å; D60-M131 PolarHBondContact O-N 3.35Å | ||
| 61 | A | 89.5 | Confident | 88.5 | Confident | 3 Ų | 3 | 53.6 Ų | 53.6 | 3% | 0.025 | 27% | 0.268 | C | S | . | . | trans | -85.4 | -1.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y52 F56 K63 F64 A65 M131 | Y52-A61 HydrophobicContact CD1-CB 4.04Å; Y52-A61 HydrophobicContact CG-CB 4.42Å; F56-A61 HydrophobicContact CB-CB 4.08Å; F56-A61 HydrophobicContact CD2-CB 4.18Å; F56-A61 HydrophobicContact CG-CB 4.41Å; A61-K63 PolarHBondContact O-N 2.86Å; A61-F64 PolarHBondContact O-N 2.96Å; A61-A65 VanDerWaalsContact O-CB 3.3Å; A61-A65 WeakPolarHBondContact O-CB 3.31Å; A61-A65 PolarHBondContact O-N 2.63Å; A61-M131 HydrophobicContact CB-CB 4.48Å; A61-M131 HydrophobicContact CB-CG 3.68Å; A61-M131 HydrophobicContact CB-SD 3.72Å | ||
| 62 | S | 91.7 | Very high | 88.7 | Confident | 44 Ų | 44 | 50.5 Ų | 50.5 | 31% | 0.308 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -59.6 | -48.2 | -169 | 62.6 | 0 | 0 | 0 | 0 | 112.5 | D60 A65 E66 | D60-S62 VanDerWaalsContact C-N 3.32Å; D60-S62 WeakPolarHBondContact OD1-CB 3.4Å; D60-S62 PolarHBondContact OD1-N 3.29Å; D60-S62 PolarHBondContact OD1-OG 3.14Å; S62-A65 PolarHBondContact O-N 3.48Å; S62-E66 WeakPolarHBondContact O-CG 3.36Å; S62-E66 PolarHBondContact O-N 3.29Å |
| 63 | K | 92.3 | Very high | 89 | Confident | 84 Ų | 84 | 51 Ų | 51 | 37% | 0.365 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -66.5 | -40.9 | 177.1 | -73.9 | -60.4 | -175.2 | -175.8 | 0 | 112.6 | A61 A65 E66 H67 A127 | A61-K63 PolarHBondContact O-N 2.86Å; K63-A65 VanDerWaalsContact C-N 3.32Å; K63-A65 PolarHBondContact O-N 2.97Å; K63-E66 VanDerWaalsContact CD-OE2 3.25Å; K63-E66 WeakPolarHBondContact CD-OE2 3.41Å; K63-E66 IonicContact NZ-OE2 3.94Å; K63-E66 PolarHBondContact NZ-OE2 3.07Å; K63-E66 WeakPolarHBondContact O-CB 3.37Å; K63-E66 PolarHBondContact O-N 2.89Å; K63-H67 PolarHBondContact O-CD2 3.36Å; K63-H67 PolarHBondContact O-N 2.87Å; K63-H67 VanDerWaalsContact O-N 3.15Å; K63-A127 HydrophobicContact CB-CB 3.71Å |
| 64 | F | 90.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.5 | -42 | 178.1 | -171.5 | -99.5 | 0 | 0 | 0 | 111 | Y52 A61 E66 H67 V68 M107 A127 I128 M131 L183 V187 | Y52-F64 HydrophobicContact CD1-CD1 4.43Å; Y52-F64 AromaticContact CE1-CD1 3.8Å; Y52-F64 HydrophobicContact CE1-CD1 3.8Å; Y52-F64 HydrophobicContact CE1-CE1 4.09Å; A61-F64 PolarHBondContact O-N 2.96Å; F64-E66 VanDerWaalsContact C-N 3.3Å; F64-E66 PolarHBondContact O-N 3.46Å; F64-H67 PolarHBondContact O-N 2.08Å; F64-H67 VanDerWaalsContact O-N 3.13Å; F64-V68 HydrophobicContact CD1-CG2 3.77Å; F64-V68 HydrophobicContact CE1-CG2 3.41Å; F64-V68 VanDerWaalsContact CE1-CG2 3.41Å; F64-V68 HydrophobicContact CZ-CG2 3.92Å; F64-V68 WeakPolarHBondContact O-CG2 3.41Å; F64-V68 PolarHBondContact O-N 3.37Å; F64-M107 HydrophobicContact CE2-CE 4.4Å; F64-M107 HydrophobicContact CE2-SD 3.73Å; F64-M107 HydrophobicContact CZ-CE 4.14Å; F64-M107 HydrophobicContact CZ-SD 4.01Å; F64-A127 HydrophobicContact CB-CB 4.2Å; F64-I128 HydrophobicContact CD2-CG1 3.69Å; F64-I128 HydrophobicContact CE2-CD1 4.26Å; F64-I128 HydrophobicContact CE2-CG1 3.65Å; F64-M131 HydrophobicContact CB-CE 4.25Å; F64-M131 HydrophobicContact CB-SD 3.8Å; F64-M131 HydrophobicContact CD1-CE 3.48Å; F64-M131 VanDerWaalsContact CD1-CE 3.48Å; F64-M131 HydrophobicContact CD1-SD 3.51Å; F64-M131 VanDerWaalsContact CD1-SD 3.51Å; F64-M131 HydrophobicContact CD2-CE 4.21Å; F64-M131 HydrophobicContact CE1-CE 3.79Å; F64-M131 HydrophobicContact CE1-SD 4.32Å; F64-M131 HydrophobicContact CE2-CE 4.48Å; F64-M131 HydrophobicContact CG-CE 3.69Å; F64-M131 HydrophobicContact CG-SD 3.79Å; F64-M131 HydrophobicContact CZ-CE 4.28Å; F64-L183 HydrophobicContact CE2-CD2 3.85Å; F64-L183 HydrophobicContact CZ-CD2 4.21Å; F64-V187 HydrophobicContact CE1-CG2 3.98Å; F64-V187 HydrophobicContact CZ-CG2 3.86Å |
| 65 | A | 90.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.6 | -36.8 | 174 | 0 | 0 | 0 | 0 | 0 | 112.3 | F48 K49 Y52 A61 S62 K63 V68 F69 | F48-A65 HydrophobicContact CD1-CB 4.14Å; F48-A65 HydrophobicContact CE1-CB 4.36Å; F48-A65 WeakPolarHBondContact CE1-O 3.35Å; K49-A65 HydrophobicContact CG-CB 3.97Å; Y52-A65 HydrophobicContact CD1-CB 4.38Å; Y52-A65 HydrophobicContact CD2-CB 3.72Å; Y52-A65 HydrophobicContact CE2-CB 4.42Å; Y52-A65 HydrophobicContact CG-CB 3.69Å; A61-A65 VanDerWaalsContact O-CB 3.3Å; A61-A65 WeakPolarHBondContact O-CB 3.31Å; A61-A65 PolarHBondContact O-N 2.63Å; S62-A65 PolarHBondContact O-N 3.48Å; K63-A65 VanDerWaalsContact C-N 3.32Å; K63-A65 PolarHBondContact O-N 2.97Å; A65-V68 PolarHBondContact O-N 2.86Å; A65-F69 WeakPolarHBondContact O-CB 3.45Å; A65-F69 PolarHBondContact O-N 3.42Å |
| 66 | E | 93.3 | Very high | 89.9 | Confident | 68 Ų | 68 | 48.2 Ų | 48.2 | 32% | 0.318 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -60.7 | -44.1 | 172.2 | -71.9 | 173 | -175.4 | 0 | 0 | 112.1 | K49 S62 K63 F64 R70 | K49-E66 HydrophobicContact CD-CG 4.41Å; K49-E66 WeakPolarHBondContact CE-OE1 3.45Å; K49-E66 IonicContact NZ-OE1 3.83Å; K49-E66 PolarHBondContact NZ-OE1 3.48Å; S62-E66 WeakPolarHBondContact O-CG 3.36Å; S62-E66 PolarHBondContact O-N 3.29Å; K63-E66 VanDerWaalsContact CD-OE2 3.25Å; K63-E66 WeakPolarHBondContact CD-OE2 3.41Å; K63-E66 IonicContact NZ-OE2 3.94Å; K63-E66 PolarHBondContact NZ-OE2 3.07Å; K63-E66 WeakPolarHBondContact O-CB 3.37Å; K63-E66 PolarHBondContact O-N 2.89Å; F64-E66 VanDerWaalsContact C-N 3.3Å; F64-E66 PolarHBondContact O-N 3.46Å; E66-R70 PolarHBondContact O-N 3.3Å |
| 67 | H | 92.3 | Very high | 90.5 | Very high | 6 Ų | 6 | 50.7 Ų | 50.7 | 3% | 0.028 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.2 | -46.4 | 176.5 | -66.8 | -78.2 | 0 | 0 | 0 | 111.7 | K63 F64 F69 R70 I71 M107 D123 | K63-H67 PolarHBondContact O-CD2 3.36Å; K63-H67 PolarHBondContact O-N 2.87Å; K63-H67 VanDerWaalsContact O-N 3.15Å; F64-H67 PolarHBondContact O-N 2.08Å; F64-H67 VanDerWaalsContact O-N 3.13Å; H67-F69 VanDerWaalsContact C-N 3.33Å; H67-F69 PolarHBondContact O-N 2.84Å; H67-R70 PolarHBondContact ND1-NH1 3.08Å; H67-R70 PolarHBondContact O-N 3.08Å; H67-I71 WeakPolarHBondContact O-CG1 3.23Å; H67-I71 PolarHBondContact O-N 3.5Å; H67-M107 HydrophobicContact CB-CG 4.03Å; H67-M107 HydrophobicContact CB-SD 4.44Å; H67-D123 IonicContact CE1-OD2 2.66Å; H67-D123 PolarHBondContact CE1-OD2 3.14Å; H67-D123 IonicContact NE2-OD2 3.12Å |
| 68 | V | 90 | Very high | 91 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.6 | -44.6 | 178.5 | 179.4 | 0 | 0 | 0 | 0 | 110.6 | F48 F64 A65 R70 I71 F72 M107 V187 | F48-V68 HydrophobicContact CE1-CB 3.89Å; F48-V68 HydrophobicContact CE1-CG1 3.83Å; F48-V68 HydrophobicContact CZ-CB 4.17Å; F48-V68 HydrophobicContact CZ-CG1 3.57Å; F64-V68 HydrophobicContact CD1-CG2 3.77Å; F64-V68 HydrophobicContact CE1-CG2 3.41Å; F64-V68 VanDerWaalsContact CE1-CG2 3.41Å; F64-V68 HydrophobicContact CZ-CG2 3.92Å; F64-V68 WeakPolarHBondContact O-CG2 3.41Å; F64-V68 PolarHBondContact O-N 3.37Å; A65-V68 PolarHBondContact O-N 2.86Å; V68-R70 VanDerWaalsContact C-N 3.35Å; V68-R70 PolarHBondContact O-N 3.4Å; V68-I71 PolarHBondContact O-N 2.91Å; V68-I71 VanDerWaalsContact O-N 3.13Å; V68-F72 HydrophobicContact CG1-CD1 4.31Å; V68-F72 HydrophobicContact CG1-CD2 3.93Å; V68-F72 HydrophobicContact CG1-CE1 4.04Å; V68-F72 HydrophobicContact CG1-CE2 3.65Å; V68-F72 HydrophobicContact CG1-CG 4.27Å; V68-F72 HydrophobicContact CG1-CZ 3.7Å; V68-F72 WeakPolarHBondContact O-CD2 3.32Å; V68-F72 PolarHBondContact O-N 3.22Å; V68-M107 HydrophobicContact CB-CE 4.21Å; V68-M107 HydrophobicContact CG2-CE 3.43Å; V68-M107 VanDerWaalsContact CG2-CE 3.43Å; V68-V187 HydrophobicContact CG2-CG2 4.21Å |
| 69 | F | 92.5 | Very high | 91.5 | Very high | 18 Ų | 18 | 40 Ų | 40 | 8% | 0.079 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -56.6 | -48.3 | 178.2 | -174.8 | -85.1 | 0 | 0 | 0 | 111.4 | L43 N44 A45 F48 A65 H67 I71 F72 D73 G78 I80 | L43-F69 WeakPolarHBondContact O-CE2 3.39Å; N44-F69 VanDerWaalsContact C-CE2 3.5Å; A45-F69 VanDerWaalsContact CA-CE2 3.46Å; A45-F69 HydrophobicContact CB-CD1 4.15Å; A45-F69 HydrophobicContact CB-CD2 4.17Å; A45-F69 HydrophobicContact CB-CE1 4.04Å; A45-F69 HydrophobicContact CB-CE2 4.03Å; A45-F69 HydrophobicContact CB-CG 4.23Å; A45-F69 HydrophobicContact CB-CZ 3.97Å; A45-F69 VanDerWaalsContact N-CE2 3.3Å; F48-F69 HydrophobicContact CB-CD2 3.71Å; F48-F69 HydrophobicContact CB-CE2 4.27Å; F48-F69 HydrophobicContact CD1-CB 3.89Å; F48-F69 HydrophobicContact CD1-CD2 4.05Å; F48-F69 HydrophobicContact CD1-CG 4.49Å; F48-F69 HydrophobicContact CD2-CD2 4.35Å; F48-F69 HydrophobicContact CE1-CB 4.16Å; F48-F69 HydrophobicContact CG-CB 4.48Å; F48-F69 AromaticContact CG-CD2 3.79Å; F48-F69 HydrophobicContact CG-CD2 3.79Å; A65-F69 WeakPolarHBondContact O-CB 3.45Å; A65-F69 PolarHBondContact O-N 3.42Å; H67-F69 VanDerWaalsContact C-N 3.33Å; H67-F69 PolarHBondContact O-N 2.84Å; F69-I71 PolarHBondContact O-N 2.95Å; F69-F72 PolarHBondContact O-N 3.48Å; F69-D73 HydrophobicContact CD1-CB 4.31Å; F69-D73 HydrophobicContact CE1-CB 3.94Å; F69-D73 HydrophobicContact CZ-CB 4.46Å; F69-D73 WeakPolarHBondContact O-CB 3.5Å; F69-D73 PolarHBondContact O-N 3.26Å; F69-G78 WeakPolarHBondContact CZ-O 3.28Å; F69-I80 HydrophobicContact CD2-CD1 3.34Å; F69-I80 HydrophobicContact CD2-CG1 3.93Å; F69-I80 HydrophobicContact CE2-CD1 3.55Å; F69-I80 HydrophobicContact CE2-CG1 3.65Å; F69-I80 HydrophobicContact CG-CD1 4.12Å; F69-I80 HydrophobicContact CZ-CD1 4.44Å; F69-I80 HydrophobicContact CZ-CG1 4.12Å |
| 70 | R | 93.2 | Very high | 92 | Very high | 73 Ų | 73 | 38.8 Ų | 38.8 | 28% | 0.275 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -55.3 | -36.3 | 178.2 | -174.7 | -177 | 70 | -105.8 | -1 | 112.8 | E66 H67 V68 M107 | E66-R70 PolarHBondContact O-N 3.3Å; H67-R70 PolarHBondContact ND1-NH1 3.08Å; H67-R70 PolarHBondContact O-N 3.08Å; V68-R70 VanDerWaalsContact C-N 3.35Å; V68-R70 PolarHBondContact O-N 3.4Å; R70-M107 PolarHBondContact NH2-O 2.96Å |
| 71 | I | 90.1 | Very high | 92.2 | Very high | 16 Ų | 16 | 37.4 Ų | 37.4 | 8% | 0.082 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -83.6 | -23.5 | -178.6 | -53 | -44.9 | 0 | 0 | 0 | 112 | H67 V68 F69 W103 R106 M107 | H67-I71 WeakPolarHBondContact O-CG1 3.23Å; H67-I71 PolarHBondContact O-N 3.5Å; V68-I71 PolarHBondContact O-N 2.91Å; V68-I71 VanDerWaalsContact O-N 3.13Å; F69-I71 PolarHBondContact O-N 2.95Å; I71-W103 HydrophobicContact CG2-CG 4.49Å; I71-R106 HydrophobicContact CD1-CB 4.13Å; I71-R106 WeakPolarHBondContact CD1-O 3.49Å; I71-R106 HydrophobicContact CG2-CB 4.22Å; I71-M107 HydrophobicContact CG1-CB 4.28Å |
| 72 | F | 90.8 | Very high | 92.4 | Very high | 2 Ų | 2 | 37.9 Ų | 37.9 | 1% | 0.009 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -81.2 | -39.9 | 177 | -78.4 | -154 | 0 | 0 | 0 | 111.2 | F48 V68 F69 T74 I80 E84 A88 W103 V187 F189 | F48-F72 HydrophobicContact CE2-CD1 4.1Å; F48-F72 HydrophobicContact CE2-CE1 4.33Å; F48-F72 HydrophobicContact CZ-CD1 4.11Å; F48-F72 HydrophobicContact CZ-CE1 4.21Å; V68-F72 HydrophobicContact CG1-CD1 4.31Å; V68-F72 HydrophobicContact CG1-CD2 3.93Å; V68-F72 HydrophobicContact CG1-CE1 4.04Å; V68-F72 HydrophobicContact CG1-CE2 3.65Å; V68-F72 HydrophobicContact CG1-CG 4.27Å; V68-F72 HydrophobicContact CG1-CZ 3.7Å; V68-F72 WeakPolarHBondContact O-CD2 3.32Å; V68-F72 PolarHBondContact O-N 3.22Å; F69-F72 PolarHBondContact O-N 3.48Å; F72-T74 VanDerWaalsContact C-N 3.25Å; F72-T74 PolarHBondContact O-N 2.88Å; F72-I80 HydrophobicContact CB-CD1 3.52Å; F72-I80 HydrophobicContact CB-CG1 3.85Å; F72-I80 HydrophobicContact CB-CG2 4.46Å; F72-I80 HydrophobicContact CD1-CD1 4.1Å; F72-I80 HydrophobicContact CG-CD1 4.29Å; F72-E84 WeakPolarHBondContact O-CB 3.23Å; F72-A88 HydrophobicContact CB-CB 4.43Å; F72-A88 HydrophobicContact CD1-CB 3.77Å; F72-A88 HydrophobicContact CD2-CB 3.52Å; F72-A88 HydrophobicContact CE1-CB 3.8Å; F72-A88 HydrophobicContact CE2-CB 3.53Å; F72-A88 HydrophobicContact CG-CB 3.64Å; F72-A88 HydrophobicContact CZ-CB 3.68Å; F72-W103 HydrophobicContact CD2-CZ2 4.33Å; F72-W103 AromaticContact CE2-CZ2 3.63Å; F72-W103 HydrophobicContact CE2-CZ2 3.63Å; F72-W103 AromaticContact CE2-NE1 3.86Å; F72-V187 HydrophobicContact CZ-CG1 4.49Å; F72-F189 HydrophobicContact CE1-CE2 4.08Å; F72-F189 HydrophobicContact CE1-CZ 4.4Å; F72-F189 HydrophobicContact CZ-CE2 4.18Å |
| 73 | D | 93.5 | Very high | 92.5 | Very high | 11 Ų | 11 | 40.2 Ų | 40.2 | 6% | 0.059 | 22% | 0.217 | C | C | . | . | trans | -73.7 | 76.4 | 172.1 | 179.5 | 4.1 | 0 | 0 | 0 | 109.9 | F69 N75 S76 D77 G78 I80 | F69-D73 HydrophobicContact CD1-CB 4.31Å; F69-D73 HydrophobicContact CE1-CB 3.94Å; F69-D73 HydrophobicContact CZ-CB 4.46Å; F69-D73 WeakPolarHBondContact O-CB 3.5Å; F69-D73 PolarHBondContact O-N 3.26Å; D73-N75 VanDerWaalsContact C-N 3.3Å; D73-N75 PolarHBondContact O-N 3.18Å; D73-N75 PolarHBondContact OD1-OD1 2.9Å; D73-S76 PolarHBondContact O-N 3.23Å; D73-S76 WeakPolarHBondContact OD1-CA 3.23Å; D73-S76 PolarHBondContact OD1-N 3.2Å; D73-D77 PolarHBondContact OD1-N 2.86Å; D73-G78 VanDerWaalsContact OD2-CA 3.27Å; D73-G78 WeakPolarHBondContact OD2-CA 3.25Å; D73-G78 PolarHBondContact OD2-N 3.03Å; D73-I80 HydrophobicContact CB-CG1 4.33Å | ||
| 74 | T | 89.6 | Confident | 92.6 | Very high | 88 Ų | 88 | 36.4 Ų | 36.4 | 54% | 0.54 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -24.7 | -173 | 57.2 | 0 | 0 | 0 | 0 | 113.3 | F72 E84 | F72-T74 VanDerWaalsContact C-N 3.25Å; F72-T74 PolarHBondContact O-N 2.88Å; T74-E84 PolarHBondContact N-OE1 3.12Å; T74-E84 PolarHBondContact OG1-OE1 2.85Å |
| 75 | N | 92.2 | Very high | 92.6 | Very high | 84 Ų | 84 | 37.9 Ų | 37.9 | 45% | 0.449 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | -8.3 | 176.7 | 74.5 | 10.1 | 0 | 0 | 0 | 112.8 | D73 D77 E84 | D73-N75 VanDerWaalsContact C-N 3.3Å; D73-N75 PolarHBondContact O-N 3.18Å; D73-N75 PolarHBondContact OD1-OD1 2.9Å; N75-D77 VanDerWaalsContact C-N 3.32Å; N75-D77 PolarHBondContact ND2-OD2 2.81Å; N75-D77 PolarHBondContact O-N 2.74Å; N75-D77 VanDerWaalsContact OD1-CB 3.23Å; N75-D77 WeakPolarHBondContact OD1-CB 3.41Å; N75-D77 PolarHBondContact OD1-N 3.18Å; N75-D77 PolarHBondContact OD1-OD2 3.11Å; N75-E84 PolarHBondContact N-OE1 3Å; N75-E84 VanDerWaalsContact N-OE1 3.11Å |
| 76 | S | 91 | Very high | 92.7 | Very high | 100 Ų | 100 | 37.9 Ų | 37.9 | 70% | 0.699 | 21% | 0.207 | S | C | * | . | trans | 58.9 | 37.3 | -178.5 | -57.2 | 0 | 0 | 0 | 0 | 113.9 | D73 G78 | D73-S76 PolarHBondContact O-N 3.23Å; D73-S76 WeakPolarHBondContact OD1-CA 3.23Å; D73-S76 PolarHBondContact OD1-N 3.2Å; S76-G78 VanDerWaalsContact C-N 3.3Å | ||
| 77 | D | 95 | Very high | 92.6 | Very high | 86 Ų | 86 | 35.8 Ų | 35.8 | 46% | 0.46 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -85.5 | -3.9 | 177.5 | 76.6 | 22 | 0 | 0 | 0 | 113.6 | D73 N75 S79 | D73-D77 PolarHBondContact OD1-N 2.86Å; N75-D77 VanDerWaalsContact C-N 3.32Å; N75-D77 PolarHBondContact ND2-OD2 2.81Å; N75-D77 PolarHBondContact O-N 2.74Å; N75-D77 VanDerWaalsContact OD1-CB 3.23Å; N75-D77 WeakPolarHBondContact OD1-CB 3.41Å; N75-D77 PolarHBondContact OD1-N 3.18Å; N75-D77 PolarHBondContact OD1-OD2 3.11Å; D77-S79 WeakPolarHBondContact OD1-CA 3.43Å; D77-S79 WeakPolarHBondContact OD1-CB 3.46Å; D77-S79 PolarHBondContact OD1-N 2.81Å; D77-S79 VanDerWaalsContact OD1-O 3.13Å; D77-S79 PolarHBondContact OD1-OG 2.85Å |
| 78 | G | 93.7 | Very high | 92.3 | Very high | 43 Ų | 43 | 35.9 Ų | 35.9 | 44% | 0.443 | 20% | 0.202 | S | C | . | . | S | Bend | trans | 87.4 | 8.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | F69 D73 S76 | F69-G78 WeakPolarHBondContact CZ-O 3.28Å; D73-G78 VanDerWaalsContact OD2-CA 3.27Å; D73-G78 WeakPolarHBondContact OD2-CA 3.25Å; D73-G78 PolarHBondContact OD2-N 3.03Å; S76-G78 VanDerWaalsContact C-N 3.3Å |
| 79 | S | 95.2 | Very high | 92.2 | Very high | 18 Ų | 18 | 36.3 Ų | 36.3 | 13% | 0.126 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 155.8 | 175.8 | 75 | 0 | 0 | 0 | 0 | 111 | H42 D77 | H42-S79 PolarHBondContact ND1-OG 2.97Å; D77-S79 WeakPolarHBondContact OD1-CA 3.43Å; D77-S79 WeakPolarHBondContact OD1-CB 3.46Å; D77-S79 PolarHBondContact OD1-N 2.81Å; D77-S79 VanDerWaalsContact OD1-O 3.13Å; D77-S79 PolarHBondContact OD1-OG 2.85Å |
| 80 | I | 94.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 114.8 | 168.6 | -62.7 | 162.7 | 0 | 0 | 0 | 106.9 | L43 F48 F69 F72 D73 E84 F85 | L43-I80 HydrophobicContact CB-CB 4.33Å; L43-I80 PolarHBondContact N-O 3.04Å; L43-I80 PolarHBondContact O-N 3.17Å; F48-I80 HydrophobicContact CD2-CD1 3.8Å; F48-I80 HydrophobicContact CE2-CD1 3.88Å; F48-I80 HydrophobicContact CG-CD1 4.38Å; F48-I80 HydrophobicContact CZ-CD1 4.5Å; F69-I80 HydrophobicContact CD2-CD1 3.34Å; F69-I80 HydrophobicContact CD2-CG1 3.93Å; F69-I80 HydrophobicContact CE2-CD1 3.55Å; F69-I80 HydrophobicContact CE2-CG1 3.65Å; F69-I80 HydrophobicContact CG-CD1 4.12Å; F69-I80 HydrophobicContact CZ-CD1 4.44Å; F69-I80 HydrophobicContact CZ-CG1 4.12Å; F72-I80 HydrophobicContact CB-CD1 3.52Å; F72-I80 HydrophobicContact CB-CG1 3.85Å; F72-I80 HydrophobicContact CB-CG2 4.46Å; F72-I80 HydrophobicContact CD1-CD1 4.1Å; F72-I80 HydrophobicContact CG-CD1 4.29Å; D73-I80 HydrophobicContact CB-CG1 4.33Å; I80-E84 HydrophobicContact CG2-CB 3.96Å; I80-F85 HydrophobicContact CG2-CB 3.92Å |
| 81 | D | 94.6 | Very high | 91.7 | Very high | 41 Ų | 41 | 33.7 Ų | 33.7 | 22% | 0.219 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 171.4 | 171.9 | 80.1 | 29 | 0 | 0 | 0 | 111.9 | R83 E84 F85 | D81-R83 VanDerWaalsContact C-N 3.28Å; D81-R83 PolarHBondContact O-N 2.9Å; D81-R83 VanDerWaalsContact OD1-CA 3.31Å; D81-R83 WeakPolarHBondContact OD1-CA 3.41Å; D81-R83 VanDerWaalsContact OD1-CB 3.24Å; D81-R83 WeakPolarHBondContact OD1-CB 3.42Å; D81-R83 PolarHBondContact OD1-N 3.43Å; D81-E84 PolarHBondContact N-OE2 3.29Å; D81-E84 VanDerWaalsContact N-OE2 3.1Å; D81-E84 PolarHBondContact O-N 2.9Å; D81-E84 PolarHBondContact OD1-N 2.89Å; D81-F85 WeakPolarHBondContact O-CB 3.25Å; D81-F85 PolarHBondContact O-N 2.62Å |
| 82 | F | 93.6 | Very high | 91.3 | Very high | 13 Ų | 13 | 34 Ų | 34 | 6% | 0.057 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.2 | -34.5 | -179 | -177.8 | -112.7 | 0 | 0 | 0 | 113.5 | L8 I16 I27 W30 Y31 F34 F85 M86 | L8-F82 HydrophobicContact CD1-CD1 4.42Å; L8-F82 HydrophobicContact CD2-CD1 4.04Å; L8-F82 HydrophobicContact CD2-CE1 3.83Å; I16-F82 HydrophobicContact CD1-CD1 3.64Å; I16-F82 HydrophobicContact CD1-CE1 3.65Å; I27-F82 HydrophobicContact CG2-CE1 3.91Å; I27-F82 HydrophobicContact CG2-CZ 4.32Å; I27-F82 WeakPolarHBondContact O-CZ 3.26Å; W30-F82 HydrophobicContact CB-CE2 4.05Å; W30-F82 HydrophobicContact CB-CZ 4Å; Y31-F82 VanDerWaalsContact CA-CE2 3.42Å; Y31-F82 VanDerWaalsContact CA-CZ 3.4Å; Y31-F82 HydrophobicContact CD2-CB 4.3Å; Y31-F82 AromaticContact CD2-CD1 3.5Å; Y31-F82 HydrophobicContact CD2-CD1 3.5Å; Y31-F82 AromaticContact CD2-CD2 3.95Å; Y31-F82 HydrophobicContact CD2-CD2 3.95Å; Y31-F82 AromaticContact CD2-CE1 3.73Å; Y31-F82 HydrophobicContact CD2-CE1 3.73Å; Y31-F82 HydrophobicContact CD2-CE2 4.16Å; Y31-F82 AromaticContact CD2-CG 3.62Å; Y31-F82 HydrophobicContact CD2-CG 3.62Å; Y31-F82 HydrophobicContact CD2-CZ 4.06Å; Y31-F82 HydrophobicContact CE2-CB 4.43Å; Y31-F82 HydrophobicContact CE2-CD1 4.21Å; Y31-F82 HydrophobicContact CE2-CG 4.22Å; Y31-F82 HydrophobicContact CG-CD1 4.36Å; Y31-F82 HydrophobicContact CG-CE1 4.15Å; Y31-F82 HydrophobicContact CG-CZ 4.29Å; Y31-F82 VanDerWaalsContact N-CZ 3.29Å; F34-F82 HydrophobicContact CB-CD2 3.61Å; F34-F82 HydrophobicContact CB-CE2 3.84Å; F34-F82 HydrophobicContact CD1-CB 4.03Å; F34-F82 AromaticContact CD1-CD2 3.8Å; F34-F82 HydrophobicContact CD1-CD2 3.8Å; F34-F82 HydrophobicContact CD1-CG 4.34Å; F34-F82 AromaticContact CD2-CD2 3.99Å; F34-F82 HydrophobicContact CD2-CD2 3.99Å; F34-F82 HydrophobicContact CE1-CB 4.01Å; F34-F82 HydrophobicContact CE1-CD2 4.45Å; F34-F82 AromaticContact CG-CD2 3.53Å; F34-F82 HydrophobicContact CG-CD2 3.53Å; F34-F82 HydrophobicContact CG-CE2 4.23Å; F34-F82 HydrophobicContact CG-CG 4.48Å; F82-F85 HydrophobicContact CD2-CD1 4.31Å; F82-F85 HydrophobicContact CE2-CD1 4.26Å; F82-M86 HydrophobicContact CD1-CG 4.22Å; F82-M86 HydrophobicContact CD2-CG 4.17Å; F82-M86 HydrophobicContact CE1-CG 3.69Å; F82-M86 HydrophobicContact CE2-CG 3.64Å; F82-M86 HydrophobicContact CE2-SD 3.83Å; F82-M86 HydrophobicContact CG-CG 4.44Å; F82-M86 HydrophobicContact CZ-CG 3.37Å; F82-M86 HydrophobicContact CZ-SD 3.68Å; F82-M86 WeakPolarHBondContact O-CB 3.09Å; F82-M86 VanDerWaalsContact O-CG 3.23Å; F82-M86 WeakPolarHBondContact O-CG 3.44Å; F82-M86 PolarHBondContact O-N 3.25Å |
| 83 | R | 93.9 | Very high | 90.9 | Very high | 93 Ų | 93 | 37.2 Ų | 37.2 | 35% | 0.351 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -67.6 | -46.4 | 179.3 | 176.4 | -169.1 | -172.1 | -79.1 | -4.3 | 109.9 | D15 I16 D81 M86 C87 | D15-R83 IonicContact OD1-NH2 3.56Å; D15-R83 VanDerWaalsContact OD2-CD 3.31Å; D15-R83 WeakPolarHBondContact OD2-CD 3.27Å; D15-R83 IonicContact OD2-CZ 3Å; D15-R83 IonicContact OD2-NE 2.76Å; D15-R83 PolarHBondContact OD2-NE 2.92Å; D15-R83 IonicContact OD2-NH2 2.74Å; I16-R83 HydrophobicContact CD1-CB 4.45Å; I16-R83 HydrophobicContact CG1-CB 4.16Å; I16-R83 HydrophobicContact CG1-CG 4.02Å; D81-R83 VanDerWaalsContact C-N 3.28Å; D81-R83 PolarHBondContact O-N 2.9Å; D81-R83 VanDerWaalsContact OD1-CA 3.31Å; D81-R83 WeakPolarHBondContact OD1-CA 3.41Å; D81-R83 VanDerWaalsContact OD1-CB 3.24Å; D81-R83 WeakPolarHBondContact OD1-CB 3.42Å; D81-R83 PolarHBondContact OD1-N 3.43Å; R83-M86 PolarHBondContact O-N 3.06Å; R83-C87 PolarHBondContact O-N 2.99Å; R83-C87 PolarHBondContact O-SG 2.94Å |
| 84 | E | 94.1 | Very high | 90.5 | Very high | 5 Ų | 5 | 41.4 Ų | 41.4 | 2% | 0.023 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.2 | -47.7 | 176.6 | -71.8 | -176.5 | 134.2 | 0 | 0 | 111.8 | F72 T74 N75 I80 D81 M86 C87 A88 | F72-E84 WeakPolarHBondContact O-CB 3.23Å; T74-E84 PolarHBondContact N-OE1 3.12Å; T74-E84 PolarHBondContact OG1-OE1 2.85Å; N75-E84 PolarHBondContact N-OE1 3Å; N75-E84 VanDerWaalsContact N-OE1 3.11Å; I80-E84 HydrophobicContact CG2-CB 3.96Å; D81-E84 PolarHBondContact N-OE2 3.29Å; D81-E84 VanDerWaalsContact N-OE2 3.1Å; D81-E84 PolarHBondContact O-N 2.9Å; D81-E84 PolarHBondContact OD1-N 2.89Å; E84-M86 VanDerWaalsContact C-N 3.3Å; E84-M86 PolarHBondContact O-N 3.19Å; E84-C87 PolarHBondContact O-N 3.07Å; E84-A88 WeakPolarHBondContact O-CB 3.23Å; E84-A88 PolarHBondContact O-N 2.69Å |
| 85 | F | 91.9 | Very high | 90.2 | Very high | 30 Ų | 30 | 37.8 Ų | 37.8 | 13% | 0.132 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -53 | -48.2 | 172.8 | 174.2 | -99.1 | 0 | 0 | 0 | 111.5 | W30 F34 I80 D81 F82 A88 L89 | W30-F85 HydrophobicContact CD2-CE1 4.44Å; W30-F85 AromaticContact CE3-CE1 3.85Å; W30-F85 HydrophobicContact CE3-CE1 3.85Å; W30-F85 HydrophobicContact CE3-CZ 4.08Å; W30-F85 HydrophobicContact CZ3-CE1 4.33Å; W30-F85 HydrophobicContact CZ3-CZ 4.1Å; F34-F85 HydrophobicContact CD2-CB 4.27Å; F34-F85 AromaticContact CD2-CD1 3.92Å; F34-F85 HydrophobicContact CD2-CD1 3.92Å; F34-F85 HydrophobicContact CD2-CD2 4.36Å; F34-F85 HydrophobicContact CD2-CE1 4.38Å; F34-F85 AromaticContact CD2-CG 3.91Å; F34-F85 HydrophobicContact CD2-CG 3.91Å; F34-F85 HydrophobicContact CE2-CB 3.85Å; F34-F85 HydrophobicContact CE2-CD1 4.35Å; F34-F85 HydrophobicContact CE2-CD2 4.26Å; F34-F85 AromaticContact CE2-CG 3.89Å; F34-F85 HydrophobicContact CE2-CG 3.89Å; I80-F85 HydrophobicContact CG2-CB 3.92Å; D81-F85 WeakPolarHBondContact O-CB 3.25Å; D81-F85 PolarHBondContact O-N 2.62Å; F82-F85 HydrophobicContact CD2-CD1 4.31Å; F82-F85 HydrophobicContact CE2-CD1 4.26Å; F85-A88 PolarHBondContact O-N 3.21Å; F85-L89 HydrophobicContact CE1-CD2 4.13Å; F85-L89 HydrophobicContact CZ-CD2 4.3Å; F85-L89 WeakPolarHBondContact O-CB 3.24Å; F85-L89 PolarHBondContact O-N 2.82Å |
| 86 | M | 92.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -68.3 | -43.8 | -179.3 | -72.8 | -56.2 | -65.1 | 0 | 0 | 113.2 | I16 T20 F22 I27 W30 F82 R83 E84 A88 L89 S90 | I16-M86 HydrophobicContact CG2-CB 3.77Å; I16-M86 HydrophobicContact CG2-CG 4.25Å; T20-M86 HydrophobicContact CG2-CB 4.28Å; T20-M86 WeakPolarHBondContact CG2-O 3.43Å; F22-M86 HydrophobicContact CB-CE 4.09Å; F22-M86 HydrophobicContact CD1-CE 4.36Å; F22-M86 HydrophobicContact CD2-CE 3.29Å; F22-M86 HydrophobicContact CE2-CE 3.72Å; F22-M86 HydrophobicContact CG-CE 3.68Å; F22-M86 HydrophobicContact CZ-CE 4.43Å; I27-M86 HydrophobicContact CG1-CE 4.01Å; W30-M86 HydrophobicContact CB-CE 4.09Å; W30-M86 HydrophobicContact CB-SD 3.51Å; W30-M86 VanDerWaalsContact CB-SD 3.51Å; W30-M86 HydrophobicContact CG-CE 4.07Å; W30-M86 HydrophobicContact CG-SD 3.78Å; F82-M86 HydrophobicContact CD1-CG 4.22Å; F82-M86 HydrophobicContact CD2-CG 4.17Å; F82-M86 HydrophobicContact CE1-CG 3.69Å; F82-M86 HydrophobicContact CE2-CG 3.64Å; F82-M86 HydrophobicContact CE2-SD 3.83Å; F82-M86 HydrophobicContact CG-CG 4.44Å; F82-M86 HydrophobicContact CZ-CG 3.37Å; F82-M86 HydrophobicContact CZ-SD 3.68Å; F82-M86 WeakPolarHBondContact O-CB 3.09Å; F82-M86 VanDerWaalsContact O-CG 3.23Å; F82-M86 WeakPolarHBondContact O-CG 3.44Å; F82-M86 PolarHBondContact O-N 3.25Å; R83-M86 PolarHBondContact O-N 3.06Å; E84-M86 VanDerWaalsContact C-N 3.3Å; E84-M86 PolarHBondContact O-N 3.19Å; M86-A88 VanDerWaalsContact C-N 3.33Å; M86-A88 PolarHBondContact O-N 3.39Å; M86-L89 PolarHBondContact O-N 3.05Å; M86-L89 HydrophobicContact SD-CD2 4.41Å; M86-S90 WeakPolarHBondContact O-CB 3.39Å; M86-S90 PolarHBondContact O-N 3.39Å |
| 87 | C | 90.8 | Very high | 89.5 | Confident | 24 Ų | 24 | 40.4 Ų | 40.4 | 16% | 0.162 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63 | -43.1 | 176.9 | -54.9 | 0 | 0 | 0 | 0 | 110.1 | C19 R83 E84 S90 V91 | C19-C87 HydrophobicContact CB-CB 4.25Å; C19-C87 WeakPolarHBondContact CB-SG 3.37Å; C19-C87 WeakPolarHBondContact SG-CB 3.31Å; C19-C87 CovalentContact SG-SG 2.08Å; C19-C87 PolarHBondContact SG-SG 2.91Å; R83-C87 PolarHBondContact O-N 2.99Å; R83-C87 PolarHBondContact O-SG 2.94Å; E84-C87 PolarHBondContact O-N 3.07Å; C87-S90 PolarHBondContact O-N 3.44Å; C87-V91 WeakPolarHBondContact O-CG2 3.36Å; C87-V91 PolarHBondContact O-N 3.21Å |
| 88 | A | 87.1 | Confident | 89.1 | Confident | 9 Ų | 9 | 40.8 Ų | 40.8 | 7% | 0.074 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64 | -44.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112.9 | F72 E84 F85 M86 S90 V91 T92 | F72-A88 HydrophobicContact CB-CB 4.43Å; F72-A88 HydrophobicContact CD1-CB 3.77Å; F72-A88 HydrophobicContact CD2-CB 3.52Å; F72-A88 HydrophobicContact CE1-CB 3.8Å; F72-A88 HydrophobicContact CE2-CB 3.53Å; F72-A88 HydrophobicContact CG-CB 3.64Å; F72-A88 HydrophobicContact CZ-CB 3.68Å; E84-A88 WeakPolarHBondContact O-CB 3.23Å; E84-A88 PolarHBondContact O-N 2.69Å; F85-A88 PolarHBondContact O-N 3.21Å; M86-A88 VanDerWaalsContact C-N 3.33Å; M86-A88 PolarHBondContact O-N 3.39Å; A88-S90 VanDerWaalsContact C-N 3.3Å; A88-S90 PolarHBondContact O-N 2.83Å; A88-V91 PolarHBondContact O-N 3.4Å; A88-T92 VanDerWaalsContact O-CG2 3.32Å; A88-T92 WeakPolarHBondContact O-CG2 3.48Å; A88-T92 PolarHBondContact O-N 2.88Å; A88-T92 PolarHBondContact O-OG1 2.93Å |
| 89 | L | 87.5 | Confident | 88.7 | Confident | 8 Ų | 8 | 42.6 Ų | 42.6 | 4% | 0.042 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.3 | -39.9 | 174.9 | -174.2 | 68.6 | 0 | 0 | 0 | 111.3 | F22 W30 F85 M86 T92 T93 | F22-L89 HydrophobicContact CE2-CB 4.31Å; F22-L89 HydrophobicContact CE2-CD2 4.13Å; F22-L89 HydrophobicContact CE2-CG 4.18Å; F22-L89 HydrophobicContact CZ-CB 4.49Å; F22-L89 HydrophobicContact CZ-CD2 3.77Å; F22-L89 HydrophobicContact CZ-CG 3.87Å; W30-L89 HydrophobicContact CD2-CD2 3.88Å; W30-L89 HydrophobicContact CE3-CD2 4.24Å; W30-L89 HydrophobicContact CG-CD2 4.48Å; W30-L89 HydrophobicContact CH2-CD2 4.01Å; W30-L89 HydrophobicContact CZ2-CD2 3.63Å; W30-L89 HydrophobicContact CZ3-CD2 4.29Å; F85-L89 HydrophobicContact CE1-CD2 4.13Å; F85-L89 HydrophobicContact CZ-CD2 4.3Å; F85-L89 WeakPolarHBondContact O-CB 3.24Å; F85-L89 PolarHBondContact O-N 2.82Å; M86-L89 PolarHBondContact O-N 3.05Å; M86-L89 HydrophobicContact SD-CD2 4.41Å; L89-T92 WeakPolarHBondContact CA-OG1 3.32Å; L89-T92 PolarHBondContact O-N 3.18Å; L89-T92 PolarHBondContact O-OG1 3.13Å; L89-T92 VanDerWaalsContact O-OG1 3.14Å; L89-T93 HydrophobicContact CD1-CG2 3.76Å; L89-T93 HydrophobicContact CG-CG2 4.29Å; L89-T93 WeakPolarHBondContact O-CB 3.46Å; L89-T93 WeakPolarHBondContact O-CG2 3.3Å; L89-T93 PolarHBondContact O-N 3.18Å; L89-T93 PolarHBondContact O-OG1 3.13Å |
| 90 | S | 89.3 | Confident | 88.2 | Confident | 6 Ų | 6 | 44.1 Ų | 44.1 | 4% | 0.042 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.7 | -45.9 | 178.4 | -172.4 | 0 | 0 | 0 | 0 | 111.4 | T20 E21 M86 C87 A88 T92 R94 G95 | T20-S90 WeakPolarHBondContact CA-OG 3.31Å; E21-S90 PolarHBondContact N-OG 2.87Å; M86-S90 WeakPolarHBondContact O-CB 3.39Å; M86-S90 PolarHBondContact O-N 3.39Å; C87-S90 PolarHBondContact O-N 3.44Å; A88-S90 VanDerWaalsContact C-N 3.3Å; A88-S90 PolarHBondContact O-N 2.83Å; S90-T92 PolarHBondContact O-N 3.43Å; S90-R94 CarbonylContact O-C 3.46Å; S90-R94 WeakPolarHBondContact O-CA 3.47Å; S90-R94 WeakPolarHBondContact O-CB 3.45Å; S90-R94 PolarHBondContact O-N 3.46Å; S90-G95 PolarHBondContact O-N 3.39Å |
| 91 | V | 85.4 | Confident | 88 | Confident | 30 Ų | 30 | 44.3 Ų | 44.3 | 18% | 0.182 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.9 | -45 | 178.5 | 171.9 | 0 | 0 | 0 | 0 | 111.1 | C87 A88 G95 Q99 W103 | C87-V91 WeakPolarHBondContact O-CG2 3.36Å; C87-V91 PolarHBondContact O-N 3.21Å; A88-V91 PolarHBondContact O-N 3.4Å; V91-G95 VanDerWaalsContact O-CA 3.24Å; V91-G95 WeakPolarHBondContact O-CA 3.21Å; V91-G95 PolarHBondContact O-N 2.88Å; V91-G95 VanDerWaalsContact O-N 3.12Å; V91-Q99 HydrophobicContact CG1-CB 4.46Å; V91-W103 HydrophobicContact CG1-CB 3.79Å; V91-W103 HydrophobicContact CG1-CG 4Å |
| 92 | T | 80.6 | Confident | 87.7 | Confident | 24 Ų | 24 | 47.1 Ų | 47.1 | 15% | 0.147 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -75.4 | -33.4 | -173.9 | 53.2 | 0 | 0 | 0 | 0 | 112.8 | A88 L89 S90 K100 W103 V187 | A88-T92 VanDerWaalsContact O-CG2 3.32Å; A88-T92 WeakPolarHBondContact O-CG2 3.48Å; A88-T92 PolarHBondContact O-N 2.88Å; A88-T92 PolarHBondContact O-OG1 2.93Å; L89-T92 WeakPolarHBondContact CA-OG1 3.32Å; L89-T92 PolarHBondContact O-N 3.18Å; L89-T92 PolarHBondContact O-OG1 3.13Å; L89-T92 VanDerWaalsContact O-OG1 3.14Å; S90-T92 PolarHBondContact O-N 3.43Å; T92-K100 WeakPolarHBondContact O-CE 3.49Å; T92-W103 HydrophobicContact CG2-CD2 4.29Å; T92-W103 HydrophobicContact CG2-CH2 4.45Å; T92-W103 HydrophobicContact CG2-CZ2 4.2Å; T92-V187 HydrophobicContact CG2-CG1 3.44Å; T92-V187 VanDerWaalsContact CG2-CG1 3.44Å |
| 93 | T | 82.7 | Confident | 87.5 | Confident | 68 Ų | 68 | 47.1 Ų | 47.1 | 42% | 0.417 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -99.1 | -32.7 | -176.4 | 63.9 | 0 | 0 | 0 | 0 | 114.6 | L89 | L89-T93 HydrophobicContact CD1-CG2 3.76Å; L89-T93 HydrophobicContact CG-CG2 4.29Å; L89-T93 WeakPolarHBondContact O-CB 3.46Å; L89-T93 WeakPolarHBondContact O-CG2 3.3Å; L89-T93 PolarHBondContact O-N 3.18Å; L89-T93 PolarHBondContact O-OG1 3.13Å |
| 94 | R | 85.2 | Confident | 87.3 | Confident | 100 Ų | 100 | 42.8 Ų | 42.8 | 38% | 0.377 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -123.7 | -9 | -173.9 | -61.4 | -179.6 | -176.4 | -164.1 | -2.7 | 113.7 | E21 F22 E26 S90 | E21-R94 HydrophobicContact CB-CB 4.1Å; E21-R94 HydrophobicContact CG-CB 4.37Å; E21-R94 PolarHBondContact O-NH1 3.34Å; F22-R94 VanDerWaalsContact CD1-NH1 3.3Å; F22-R94 VanDerWaalsContact CE1-NE 3.35Å; E26-R94 IonicContact OE1-CZ 2.85Å; E26-R94 IonicContact OE1-NH1 2.69Å; E26-R94 PolarHBondContact OE1-NH1 3.09Å; E26-R94 IonicContact OE1-NH2 3.85Å; E26-R94 PolarHBondContact OE1-NH2 3.04Å; E26-R94 IonicContact OE2-CZ 3.72Å; E26-R94 IonicContact OE2-NH1 2.67Å; E26-R94 PolarHBondContact OE2-NH1 2.8Å; E26-R94 VanDerWaalsContact OE2-NH1 3.12Å; E26-R94 IonicContact OE2-NH2 3.63Å; S90-R94 CarbonylContact O-C 3.46Å; S90-R94 WeakPolarHBondContact O-CA 3.47Å; S90-R94 WeakPolarHBondContact O-CB 3.45Å; S90-R94 PolarHBondContact O-N 3.46Å |
| 95 | G | 83.2 | Confident | 87.2 | Confident | 11 Ų | 11 | 43.1 Ų | 43.1 | 11% | 0.113 | 22% | 0.216 | C | C | . | . | trans | -63 | 146 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | S90 V91 K100 | S90-G95 PolarHBondContact O-N 3.39Å; V91-G95 VanDerWaalsContact O-CA 3.24Å; V91-G95 WeakPolarHBondContact O-CA 3.21Å; V91-G95 PolarHBondContact O-N 2.88Å; V91-G95 VanDerWaalsContact O-N 3.12Å; G95-K100 WeakPolarHBondContact O-CE 3.4Å | ||
| 96 | K | 86.1 | Confident | 87.2 | Confident | 148 Ų | 148 | 47.1 Ų | 47.1 | 64% | 0.643 | 23% | 0.23 | S | C | * | . | trans | -61.8 | 160.7 | 169.8 | -64.5 | 178.5 | -176.6 | 172.8 | 0 | 110.1 | E98 Q99 K100 | K96-E98 PolarHBondContact O-N 3.42Å; K96-Q99 PolarHBondContact O-N 3.35Å; K96-K100 PolarHBondContact O-N 3.07Å | ||
| 97 | V | 83.5 | Confident | 87.2 | Confident | 91 Ų | 91 | 47.1 Ų | 47.1 | 55% | 0.552 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -53.6 | -41.2 | 179.5 | 175.5 | 0 | 0 | 0 | 0 | 111.1 | K100 L101 | V97-K100 PolarHBondContact O-N 3.04Å; V97-L101 HydrophobicContact CG1-CD1 3.88Å; V97-L101 HydrophobicContact CG1-CG 4.31Å; V97-L101 WeakPolarHBondContact O-CB 3.44Å; V97-L101 VanDerWaalsContact O-CG 3.24Å; V97-L101 WeakPolarHBondContact O-CG 3.49Å; V97-L101 PolarHBondContact O-N 3.02Å |
| 98 | E | 85.7 | Confident | 87.3 | Confident | 95 Ų | 95 | 46.1 Ų | 46.1 | 44% | 0.444 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -61.8 | -46.5 | 178.1 | -66.9 | 68.2 | -149.8 | 0 | 0 | 112.1 | K96 K100 L101 E102 | K96-E98 PolarHBondContact O-N 3.42Å; E98-K100 VanDerWaalsContact C-N 3.31Å; E98-K100 PolarHBondContact O-N 3.46Å; E98-L101 WeakPolarHBondContact O-CB 3.17Å; E98-L101 PolarHBondContact O-N 3.45Å; E98-L101 VanDerWaalsContact O-N 3.16Å; E98-E102 WeakPolarHBondContact O-CG 3.45Å; E98-E102 PolarHBondContact O-N 3.32Å |
| 99 | Q | 86.4 | Confident | 87.7 | Confident | 80 Ų | 80 | 46.4 Ų | 46.4 | 37% | 0.374 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -64.3 | -38.2 | 178.5 | -65.2 | 173 | -62.5 | 0 | 0 | 111.6 | V91 K96 L101 W103 | V91-Q99 HydrophobicContact CG1-CB 4.46Å; K96-Q99 PolarHBondContact O-N 3.35Å; Q99-L101 VanDerWaalsContact C-N 3.35Å; Q99-W103 VanDerWaalsContact O-CB 3.28Å; Q99-W103 WeakPolarHBondContact O-CB 3.35Å; Q99-W103 PolarHBondContact O-N 3.48Å |
| 100 | K | 84.7 | Confident | 88 | Confident | 50 Ų | 50 | 48 Ų | 48 | 22% | 0.217 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -66.4 | -37.4 | 174.7 | -68.9 | -177.6 | 168.3 | -161.7 | 0 | 112.2 | T92 G95 K96 V97 E98 W103 A104 E184 | T92-K100 WeakPolarHBondContact O-CE 3.49Å; G95-K100 WeakPolarHBondContact O-CE 3.4Å; K96-K100 PolarHBondContact O-N 3.07Å; V97-K100 PolarHBondContact O-N 3.04Å; E98-K100 VanDerWaalsContact C-N 3.31Å; E98-K100 PolarHBondContact O-N 3.46Å; K100-W103 PolarHBondContact O-N 3Å; K100-A104 VanDerWaalsContact O-CB 3.27Å; K100-A104 WeakPolarHBondContact O-CB 3.39Å; K100-A104 PolarHBondContact O-N 3.18Å; K100-E184 WeakPolarHBondContact CD-OE1 3.39Å; K100-E184 IonicContact NZ-OE1 3.19Å; K100-E184 PolarHBondContact NZ-OE1 2.92Å |
| 101 | L | 88.5 | Confident | 88.2 | Confident | 4 Ų | 4 | 53 Ų | 53 | 2% | 0.021 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -69.2 | -42.2 | 176.8 | -74.2 | 172.1 | 0 | 0 | 0 | 112 | V97 E98 Q99 W103 A104 F105 F169 V170 A173 V180 | V97-L101 HydrophobicContact CG1-CD1 3.88Å; V97-L101 HydrophobicContact CG1-CG 4.31Å; V97-L101 WeakPolarHBondContact O-CB 3.44Å; V97-L101 VanDerWaalsContact O-CG 3.24Å; V97-L101 WeakPolarHBondContact O-CG 3.49Å; V97-L101 PolarHBondContact O-N 3.02Å; E98-L101 WeakPolarHBondContact O-CB 3.17Å; E98-L101 PolarHBondContact O-N 3.45Å; E98-L101 VanDerWaalsContact O-N 3.16Å; Q99-L101 VanDerWaalsContact C-N 3.35Å; L101-W103 VanDerWaalsContact C-N 3.31Å; L101-A104 PolarHBondContact O-N 2.84Å; L101-F105 WeakPolarHBondContact O-CB 3.33Å; L101-F105 PolarHBondContact O-N 3.43Å; L101-F169 HydrophobicContact CD2-CE1 4.48Å; L101-V170 HydrophobicContact CB-CG2 4.13Å; L101-V170 HydrophobicContact CD1-CG1 4.1Å; L101-V170 HydrophobicContact CD1-CG2 4.46Å; L101-A173 HydrophobicContact CD2-CB 3.41Å; L101-A173 VanDerWaalsContact CD2-CB 3.41Å; L101-V180 HydrophobicContact CD2-CG2 3.39Å |
| 102 | E | 89.8 | Confident | 88.6 | Confident | 101 Ų | 101 | 54.3 Ų | 54.3 | 47% | 0.472 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -63.2 | -39.7 | 173.2 | -72.8 | 171.5 | -167.8 | 0 | 0 | 111.6 | E98 F105 R106 L166 | E98-E102 WeakPolarHBondContact O-CG 3.45Å; E98-E102 PolarHBondContact O-N 3.32Å; E102-F105 WeakPolarHBondContact O-CB 3.42Å; E102-F105 PolarHBondContact O-N 3.43Å; E102-R106 WeakPolarHBondContact O-CG 3.28Å; E102-R106 PolarHBondContact O-N 3.2Å; E102-L166 HydrophobicContact CG-CD1 4.31Å; E102-L166 HydrophobicContact CG-CD2 4.34Å |
| 103 | W | 89 | Confident | 89.3 | Confident | 13 Ų | 13 | 57.3 Ų | 57.3 | 5% | 0.049 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65.3 | -43.8 | 174.4 | -177.4 | 89.8 | 0 | 0 | 0 | 112.1 | I71 F72 V91 T92 Q99 K100 L101 F105 R106 M107 V187 | I71-W103 HydrophobicContact CG2-CG 4.49Å; F72-W103 HydrophobicContact CD2-CZ2 4.33Å; F72-W103 AromaticContact CE2-CZ2 3.63Å; F72-W103 HydrophobicContact CE2-CZ2 3.63Å; F72-W103 AromaticContact CE2-NE1 3.86Å; V91-W103 HydrophobicContact CG1-CB 3.79Å; V91-W103 HydrophobicContact CG1-CG 4Å; T92-W103 HydrophobicContact CG2-CD2 4.29Å; T92-W103 HydrophobicContact CG2-CH2 4.45Å; T92-W103 HydrophobicContact CG2-CZ2 4.2Å; Q99-W103 VanDerWaalsContact O-CB 3.28Å; Q99-W103 WeakPolarHBondContact O-CB 3.35Å; Q99-W103 PolarHBondContact O-N 3.48Å; K100-W103 PolarHBondContact O-N 3Å; L101-W103 VanDerWaalsContact C-N 3.31Å; W103-F105 VanDerWaalsContact C-N 3.32Å; W103-F105 PolarHBondContact O-N 2.74Å; W103-R106 PolarHBondContact O-N 3.03Å; W103-M107 HydrophobicContact CH2-CE 3.08Å; W103-M107 HydrophobicContact CH2-SD 4.41Å; W103-M107 HydrophobicContact CZ2-CE 3.67Å; W103-M107 HydrophobicContact CZ3-CE 3.76Å; W103-M107 PolarHBondContact O-N 3.4Å; W103-V187 HydrophobicContact CH2-CB 4.15Å; W103-V187 HydrophobicContact CH2-CG1 3.84Å; W103-V187 HydrophobicContact CH2-CG2 3.3Å; W103-V187 HydrophobicContact CZ2-CG1 4.26Å; W103-V187 HydrophobicContact CZ2-CG2 4.32Å; W103-V187 HydrophobicContact CZ3-CG1 4.48Å; W103-V187 HydrophobicContact CZ3-CG2 3.83Å |
| 104 | A | 89.1 | Confident | 89.9 | Confident | 2 Ų | 2 | 55.7 Ų | 55.7 | 2% | 0.017 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.6 | -40.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | K100 L101 M107 Y108 F169 L183 | K100-A104 VanDerWaalsContact O-CB 3.27Å; K100-A104 WeakPolarHBondContact O-CB 3.39Å; K100-A104 PolarHBondContact O-N 3.18Å; L101-A104 PolarHBondContact O-N 2.84Å; A104-M107 WeakPolarHBondContact O-CB 3.35Å; A104-M107 PolarHBondContact O-N 3.25Å; A104-M107 VanDerWaalsContact O-N 3.15Å; A104-Y108 VanDerWaalsContact O-CD2 3.27Å; A104-Y108 WeakPolarHBondContact O-CD2 3.01Å; A104-Y108 PolarHBondContact O-N 3.48Å; A104-F169 HydrophobicContact CB-CE1 4Å; A104-F169 HydrophobicContact CB-CZ 4.02Å; A104-L183 HydrophobicContact CB-CD1 3.41Å; A104-L183 VanDerWaalsContact CB-CD1 3.41Å |
| 105 | F | 92.8 | Very high | 90.5 | Very high | 12 Ų | 12 | 54.9 Ų | 54.9 | 5% | 0.053 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -57.1 | -51.4 | 174.3 | -179.9 | -89.6 | 0 | 0 | 0 | 110.7 | L101 E102 W103 M107 Y108 D109 G114 I116 L166 F169 | L101-F105 WeakPolarHBondContact O-CB 3.33Å; L101-F105 PolarHBondContact O-N 3.43Å; E102-F105 WeakPolarHBondContact O-CB 3.42Å; E102-F105 PolarHBondContact O-N 3.43Å; W103-F105 VanDerWaalsContact C-N 3.32Å; W103-F105 PolarHBondContact O-N 2.74Å; F105-M107 PolarHBondContact O-N 3.34Å; F105-Y108 PolarHBondContact O-N 2.95Å; F105-D109 HydrophobicContact CD1-CB 4.37Å; F105-D109 HydrophobicContact CE1-CB 3.99Å; F105-D109 HydrophobicContact CZ-CB 4.47Å; F105-D109 PolarHBondContact O-N 2.84Å; F105-G114 VanDerWaalsContact CZ-O 3.31Å; F105-G114 WeakPolarHBondContact CZ-O 3.28Å; F105-I116 HydrophobicContact CD2-CD1 3.39Å; F105-I116 HydrophobicContact CD2-CG1 4.04Å; F105-I116 HydrophobicContact CE2-CD1 3.46Å; F105-I116 VanDerWaalsContact CE2-CD1 3.46Å; F105-I116 HydrophobicContact CE2-CG1 3.66Å; F105-I116 HydrophobicContact CG-CD1 4.2Å; F105-I116 HydrophobicContact CZ-CD1 4.3Å; F105-I116 HydrophobicContact CZ-CG1 4.05Å; F105-L166 HydrophobicContact CB-CD1 3.63Å; F105-L166 HydrophobicContact CD1-CD1 4.11Å; F105-L166 HydrophobicContact CD2-CB 4.18Å; F105-L166 HydrophobicContact CD2-CD1 3.83Å; F105-L166 HydrophobicContact CE1-CB 4.48Å; F105-L166 VanDerWaalsContact CE2-CA 3.48Å; F105-L166 HydrophobicContact CE2-CB 4.09Å; F105-L166 HydrophobicContact CG-CB 4.41Å; F105-L166 HydrophobicContact CG-CD1 3.56Å; F105-L166 HydrophobicContact CZ-CB 4.26Å; F105-F169 HydrophobicContact CB-CD1 3.88Å; F105-F169 HydrophobicContact CB-CE1 4.07Å; F105-F169 HydrophobicContact CB-CG 4.47Å; F105-F169 HydrophobicContact CD2-CB 3.65Å; F105-F169 AromaticContact CD2-CD1 3.97Å; F105-F169 HydrophobicContact CD2-CD1 3.97Å; F105-F169 HydrophobicContact CD2-CD2 4.41Å; F105-F169 AromaticContact CD2-CG 3.76Å; F105-F169 HydrophobicContact CD2-CG 3.76Å; F105-F169 HydrophobicContact CE2-CB 4.14Å; F105-F169 HydrophobicContact CG-CD1 4.45Å |
| 106 | R | 92.2 | Very high | 91.2 | Very high | 114 Ų | 114 | 54.3 Ų | 54.3 | 43% | 0.43 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -59.4 | -30.7 | 176.9 | -72.3 | -168.9 | -68.4 | 152 | -3.3 | 113.1 | I71 E102 W103 Y108 | I71-R106 HydrophobicContact CD1-CB 4.13Å; I71-R106 WeakPolarHBondContact CD1-O 3.49Å; I71-R106 HydrophobicContact CG2-CB 4.22Å; E102-R106 WeakPolarHBondContact O-CG 3.28Å; E102-R106 PolarHBondContact O-N 3.2Å; W103-R106 PolarHBondContact O-N 3.03Å; R106-Y108 VanDerWaalsContact C-N 3.35Å |
| 107 | M | 90.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66 | -40.3 | 174.2 | -175.4 | 175.8 | -75.1 | 0 | 0 | 112.5 | F64 H67 V68 R70 I71 W103 A104 F105 V124 L183 V187 | F64-M107 HydrophobicContact CE2-CE 4.4Å; F64-M107 HydrophobicContact CE2-SD 3.73Å; F64-M107 HydrophobicContact CZ-CE 4.14Å; F64-M107 HydrophobicContact CZ-SD 4.01Å; H67-M107 HydrophobicContact CB-CG 4.03Å; H67-M107 HydrophobicContact CB-SD 4.44Å; V68-M107 HydrophobicContact CB-CE 4.21Å; V68-M107 HydrophobicContact CG2-CE 3.43Å; V68-M107 VanDerWaalsContact CG2-CE 3.43Å; R70-M107 PolarHBondContact NH2-O 2.96Å; I71-M107 HydrophobicContact CG1-CB 4.28Å; W103-M107 HydrophobicContact CH2-CE 3.08Å; W103-M107 HydrophobicContact CH2-SD 4.41Å; W103-M107 HydrophobicContact CZ2-CE 3.67Å; W103-M107 HydrophobicContact CZ3-CE 3.76Å; W103-M107 PolarHBondContact O-N 3.4Å; A104-M107 WeakPolarHBondContact O-CB 3.35Å; A104-M107 PolarHBondContact O-N 3.25Å; A104-M107 VanDerWaalsContact O-N 3.15Å; F105-M107 PolarHBondContact O-N 3.34Å; M107-V124 HydrophobicContact CG-CG1 4.24Å; M107-V124 WeakPolarHBondContact O-CG2 3.4Å; M107-V124 HydrophobicContact SD-CG1 4.22Å; M107-L183 HydrophobicContact CG-CD2 4.48Å; M107-L183 HydrophobicContact SD-CD2 3.25Å; M107-L183 WeakPolarHBondContact SD-CD2 3.48Å; M107-L183 HydrophobicContact SD-CG 4.47Å; M107-V187 HydrophobicContact CE-CG2 4.33Å |
| 108 | Y | 93 | Very high | 92.3 | Very high | 3 Ų | 3 | 49 Ų | 49 | 1% | 0.012 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -76.9 | -33.4 | 179.2 | -79.3 | -66.8 | 0 | 0 | 0 | 113.7 | A104 F105 R106 V110 I116 E120 M121 V124 V125 F169 I179 L183 | A104-Y108 VanDerWaalsContact O-CD2 3.27Å; A104-Y108 WeakPolarHBondContact O-CD2 3.01Å; A104-Y108 PolarHBondContact O-N 3.48Å; F105-Y108 PolarHBondContact O-N 2.95Å; R106-Y108 VanDerWaalsContact C-N 3.35Å; Y108-V110 PolarHBondContact O-N 2.8Å; Y108-I116 VanDerWaalsContact CB-CD1 3.45Å; Y108-I116 HydrophobicContact CG-CD1 4.31Å; Y108-E120 VanDerWaalsContact O-CB 3.23Å; Y108-E120 WeakPolarHBondContact O-CB 3.45Å; Y108-M121 HydrophobicContact CD1-CG 4.36Å; Y108-M121 HydrophobicContact CE1-CG 4.24Å; Y108-V124 HydrophobicContact CD1-CB 3.58Å; Y108-V124 HydrophobicContact CD1-CG1 3.75Å; Y108-V124 HydrophobicContact CD1-CG2 3.95Å; Y108-V124 HydrophobicContact CE1-CB 3.59Å; Y108-V124 HydrophobicContact CE1-CG1 3.48Å; Y108-V124 VanDerWaalsContact CE1-CG1 3.48Å; Y108-V124 HydrophobicContact CE1-CG2 4.45Å; Y108-V125 HydrophobicContact CE1-CG2 4.14Å; Y108-F169 AromaticContact CD2-CE2 3.46Å; Y108-F169 HydrophobicContact CD2-CE2 3.46Å; Y108-F169 VanDerWaalsContact CD2-CE2 3.46Å; Y108-F169 AromaticContact CD2-CZ 3.62Å; Y108-F169 HydrophobicContact CD2-CZ 3.62Å; Y108-F169 AromaticContact CE2-CE2 3.78Å; Y108-F169 HydrophobicContact CE2-CE2 3.78Å; Y108-F169 AromaticContact CE2-CZ 3.86Å; Y108-F169 HydrophobicContact CE2-CZ 3.86Å; Y108-F169 HydrophobicContact CG-CE2 4.34Å; Y108-I179 HydrophobicContact CE2-CG2 3.99Å; Y108-L183 HydrophobicContact CD2-CD1 4.13Å; Y108-L183 HydrophobicContact CE2-CD1 3.51Å; Y108-L183 HydrophobicContact CE2-CG 4.26Å |
| 109 | D | 95.5 | Very high | 92.9 | Very high | 14 Ų | 14 | 52.7 Ų | 52.7 | 8% | 0.075 | 27% | 0.272 | C | S | . | . | trans | -76.2 | 95.2 | 172.5 | 178.9 | 2.7 | 0 | 0 | 0 | 108.3 | F105 G112 D113 G114 I116 | F105-D109 HydrophobicContact CD1-CB 4.37Å; F105-D109 HydrophobicContact CE1-CB 3.99Å; F105-D109 HydrophobicContact CZ-CB 4.47Å; F105-D109 PolarHBondContact O-N 2.84Å; D109-G112 WeakPolarHBondContact OD1-CA 3.44Å; D109-G112 PolarHBondContact OD1-N 3.33Å; D109-D113 PolarHBondContact OD1-N 3.47Å; D109-G114 WeakPolarHBondContact OD2-CA 3.46Å; D109-G114 PolarHBondContact OD2-N 3.29Å; D109-I116 HydrophobicContact CB-CG1 4.2Å | ||
| 110 | V | 94.1 | Very high | 93.4 | Very high | 42 Ų | 42 | 49.6 Ų | 49.6 | 26% | 0.255 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -83.9 | -36.8 | -169.3 | 174.1 | 0 | 0 | 0 | 0 | 111 | Y108 E120 V124 | Y108-V110 PolarHBondContact O-N 2.8Å; V110-E120 WeakPolarHBondContact CA-OE1 3.23Å; V110-E120 HydrophobicContact CB-CB 4.27Å; V110-E120 HydrophobicContact CB-CG 3.97Å; V110-E120 HydrophobicContact CG2-CB 3.98Å; V110-E120 HydrophobicContact CG2-CG 4.22Å; V110-E120 PolarHBondContact N-OE1 2.57Å; V110-V124 HydrophobicContact CG2-CG2 4.34Å |
| 111 | D | 94.5 | Very high | 93.8 | Very high | 111 Ų | 111 | 47.2 Ų | 47.2 | 59% | 0.594 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -90.1 | -11.9 | 178 | 67.9 | 22 | 0 | 0 | 0 | 114.2 | D113 E120 | D111-D113 WeakPolarHBondContact OD1-CB 3.41Å; D111-D113 PolarHBondContact OD1-N 2.96Å; D111-D113 VanDerWaalsContact OD1-N 3.09Å; D111-E120 PolarHBondContact N-OE1 3.02Å |
| 112 | G | 92.3 | Very high | 94.2 | Very high | 57 Ų | 57 | 49.6 Ų | 49.6 | 59% | 0.588 | 26% | 0.26 | S | S | * | . | trans | 79.3 | 21.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | D109 G114 | D109-G112 WeakPolarHBondContact OD1-CA 3.44Å; D109-G112 PolarHBondContact OD1-N 3.33Å; G112-G114 PolarHBondContact O-N 3.47Å | ||
| 113 | D | 96.2 | Very high | 94.5 | Very high | 88 Ų | 88 | 48.1 Ų | 48.1 | 47% | 0.471 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -76.6 | -5.9 | -179.3 | 82.3 | -1.6 | 0 | 0 | 0 | 113.8 | D109 D111 F115 | D109-D113 PolarHBondContact OD1-N 3.47Å; D111-D113 WeakPolarHBondContact OD1-CB 3.41Å; D111-D113 PolarHBondContact OD1-N 2.96Å; D111-D113 VanDerWaalsContact OD1-N 3.09Å; D113-F115 WeakPolarHBondContact OD1-CA 3.27Å; D113-F115 WeakPolarHBondContact OD1-CB 3.5Å; D113-F115 PolarHBondContact OD1-N 2.91Å |
| 114 | G | 95.9 | Very high | 94.6 | Very high | 34 Ų | 34 | 47.5 Ų | 47.5 | 35% | 0.351 | 25% | 0.253 | S | S | . | . | S | Bend | trans | 90.4 | 7.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114 | F105 D109 G112 | F105-G114 VanDerWaalsContact CZ-O 3.31Å; F105-G114 WeakPolarHBondContact CZ-O 3.28Å; D109-G114 WeakPolarHBondContact OD2-CA 3.46Å; D109-G114 PolarHBondContact OD2-N 3.29Å; G112-G114 PolarHBondContact O-N 3.47Å |
| 115 | F | 97.8 | Very high | 94.7 | Very high | 82 Ų | 82 | 47.6 Ų | 47.6 | 36% | 0.36 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 156.1 | 175.1 | -60.6 | -89.6 | 0 | 0 | 0 | 110.5 | D113 L163 L164 | D113-F115 WeakPolarHBondContact OD1-CA 3.27Å; D113-F115 WeakPolarHBondContact OD1-CB 3.5Å; D113-F115 PolarHBondContact OD1-N 2.91Å; F115-L163 HydrophobicContact CB-CB 4.11Å; F115-L163 HydrophobicContact CB-CD1 4.36Å; F115-L163 HydrophobicContact CB-CD2 4.39Å; F115-L163 HydrophobicContact CD1-CB 4.16Å; F115-L163 HydrophobicContact CD1-CD1 4.49Å; F115-L163 HydrophobicContact CG-CB 4.39Å; F115-L163 HydrophobicContact CG-CD1 4.3Å; F115-L164 CarbonylContact C-O 3.42Å; F115-L164 WeakPolarHBondContact CA-O 3.28Å |
| 116 | I | 97.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 112.4 | 171.2 | -57.2 | 159.6 | 0 | 0 | 0 | 108 | F105 Y108 D109 M121 F153 L164 F169 | F105-I116 HydrophobicContact CD2-CD1 3.39Å; F105-I116 HydrophobicContact CD2-CG1 4.04Å; F105-I116 HydrophobicContact CE2-CD1 3.46Å; F105-I116 VanDerWaalsContact CE2-CD1 3.46Å; F105-I116 HydrophobicContact CE2-CG1 3.66Å; F105-I116 HydrophobicContact CG-CD1 4.2Å; F105-I116 HydrophobicContact CZ-CD1 4.3Å; F105-I116 HydrophobicContact CZ-CG1 4.05Å; Y108-I116 VanDerWaalsContact CB-CD1 3.45Å; Y108-I116 HydrophobicContact CG-CD1 4.31Å; D109-I116 HydrophobicContact CB-CG1 4.2Å; I116-M121 HydrophobicContact CG2-CB 4Å; I116-M121 HydrophobicContact CG2-CE 4.42Å; I116-F153 WeakPolarHBondContact O-CE2 3.19Å; I116-F153 WeakPolarHBondContact O-CZ 3.33Å; I116-L164 HydrophobicContact CB-CB 4.14Å; I116-L164 PolarHBondContact N-O 2.89Å; I116-L164 PolarHBondContact O-N 3.22Å; I116-F169 HydrophobicContact CD1-CB 4.38Å; I116-F169 HydrophobicContact CD1-CD2 3.5Å; I116-F169 HydrophobicContact CD1-CE2 3.97Å; I116-F169 HydrophobicContact CD1-CG 4.03Å |
| 117 | S | 97.5 | Very high | 94.7 | Very high | 28 Ų | 28 | 43 Ų | 43 | 20% | 0.196 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 158.6 | 168.8 | 73.8 | 0 | 0 | 0 | 0 | 111.3 | K119 E120 M121 | S117-K119 PolarHBondContact O-N 3.16Å; S117-E120 VanDerWaalsContact CB-OE2 3.25Å; S117-E120 WeakPolarHBondContact CB-OE2 3.24Å; S117-E120 PolarHBondContact N-OE2 2.76Å; S117-E120 PolarHBondContact O-N 2.92Å; S117-E120 VanDerWaalsContact O-N 3.15Å; S117-E120 VanDerWaalsContact OG-CG 3.24Å; S117-E120 WeakPolarHBondContact OG-CG 3.46Å; S117-E120 PolarHBondContact OG-N 3.41Å; S117-E120 PolarHBondContact OG-OE2 3.21Å; S117-M121 PolarHBondContact O-N 2.88Å |
| 118 | K | 96.1 | Very high | 94.6 | Very high | 98 Ų | 98 | 43 Ų | 43 | 43% | 0.426 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -57.9 | -32.8 | 175.8 | -170.1 | 178.1 | -175.9 | 176.8 | 0 | 113 | L122 T149 E150 F153 | K118-L122 WeakPolarHBondContact O-CB 3.41Å; K118-L122 PolarHBondContact O-N 3.09Å; K118-T149 HydrophobicContact CG-CG2 3.9Å; K118-E150 VanDerWaalsContact CE-OE2 3.23Å; K118-E150 WeakPolarHBondContact CE-OE2 3.31Å; K118-E150 IonicContact NZ-OE2 2.57Å; K118-E150 PolarHBondContact NZ-OE2 3.28Å; K118-F153 VanDerWaalsContact CA-CE2 3.5Å; K118-F153 HydrophobicContact CB-CD2 4.07Å; K118-F153 HydrophobicContact CB-CE2 3.96Å; K118-F153 HydrophobicContact CB-CG 4.46Å; K118-F153 HydrophobicContact CB-CZ 4.25Å; K118-F153 HydrophobicContact CG-CD2 4.29Å; K118-F153 HydrophobicContact CG-CG 4.47Å; K118-F153 VanDerWaalsContact N-CE2 3.31Å |
| 119 | K | 97.4 | Very high | 94.4 | Very high | 174 Ų | 174 | 44.1 Ų | 44.1 | 76% | 0.757 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -66.5 | -43.7 | 178.7 | -178 | -175.1 | 172.5 | -166.7 | 0 | 110.9 | S117 L122 D123 | S117-K119 PolarHBondContact O-N 3.16Å; K119-L122 PolarHBondContact O-N 3.34Å; K119-D123 PolarHBondContact O-N 3.11Å |
| 120 | E | 97.2 | Very high | 94.1 | Very high | 14 Ų | 14 | 48.9 Ų | 48.9 | 7% | 0.065 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -72 | -39.6 | -179.2 | -61.6 | 166.4 | 108.8 | 0 | 0 | 111.6 | Y108 V110 D111 S117 L122 D123 V124 | Y108-E120 VanDerWaalsContact O-CB 3.23Å; Y108-E120 WeakPolarHBondContact O-CB 3.45Å; V110-E120 WeakPolarHBondContact CA-OE1 3.23Å; V110-E120 HydrophobicContact CB-CB 4.27Å; V110-E120 HydrophobicContact CB-CG 3.97Å; V110-E120 HydrophobicContact CG2-CB 3.98Å; V110-E120 HydrophobicContact CG2-CG 4.22Å; V110-E120 PolarHBondContact N-OE1 2.57Å; D111-E120 PolarHBondContact N-OE1 3.02Å; S117-E120 VanDerWaalsContact CB-OE2 3.25Å; S117-E120 WeakPolarHBondContact CB-OE2 3.24Å; S117-E120 PolarHBondContact N-OE2 2.76Å; S117-E120 PolarHBondContact O-N 2.92Å; S117-E120 VanDerWaalsContact O-N 3.15Å; S117-E120 VanDerWaalsContact OG-CG 3.24Å; S117-E120 WeakPolarHBondContact OG-CG 3.46Å; S117-E120 PolarHBondContact OG-N 3.41Å; S117-E120 PolarHBondContact OG-OE2 3.21Å; E120-L122 VanDerWaalsContact C-N 3.29Å; E120-L122 PolarHBondContact O-N 3.34Å; E120-D123 WeakPolarHBondContact O-CB 3.25Å; E120-D123 PolarHBondContact O-N 3.4Å; E120-D123 VanDerWaalsContact O-N 3.14Å; E120-V124 PolarHBondContact O-N 3.4Å; E120-V124 VanDerWaalsContact O-N 3.15Å |
| 121 | M | 94.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -57.5 | -44.8 | 170.8 | -176.9 | 175.7 | -73.1 | 0 | 0 | 111.3 | Y108 I116 S117 D123 V125 T149 L152 F153 M156 L164 | Y108-M121 HydrophobicContact CD1-CG 4.36Å; Y108-M121 HydrophobicContact CE1-CG 4.24Å; I116-M121 HydrophobicContact CG2-CB 4Å; I116-M121 HydrophobicContact CG2-CE 4.42Å; S117-M121 PolarHBondContact O-N 2.88Å; M121-D123 VanDerWaalsContact C-N 3.32Å; M121-D123 PolarHBondContact O-N 3.05Å; M121-V125 HydrophobicContact CG-CG2 4.09Å; M121-V125 WeakPolarHBondContact O-CB 3.32Å; M121-V125 WeakPolarHBondContact O-CG2 3.44Å; M121-V125 PolarHBondContact O-N 3.23Å; M121-T149 HydrophobicContact CB-CG2 4.02Å; M121-T149 HydrophobicContact CG-CG2 3.86Å; M121-T149 HydrophobicContact SD-CG2 4Å; M121-L152 HydrophobicContact CE-CB 4.29Å; M121-L152 HydrophobicContact SD-CB 3.62Å; M121-L152 HydrophobicContact SD-CD1 4.14Å; M121-F153 HydrophobicContact CE-CD2 4.12Å; M121-F153 HydrophobicContact SD-CD2 3.97Å; M121-M156 HydrophobicContact CE-SD 4.15Å; M121-L164 HydrophobicContact CE-CD1 3.37Å |
| 122 | L | 95.5 | Very high | 93.1 | Very high | 55 Ų | 55 | 42.1 Ų | 42.1 | 29% | 0.288 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -61.2 | -39.2 | 176.6 | -178.1 | 60.4 | 0 | 0 | 0 | 112.5 | K118 K119 E120 S126 P145 E146 T149 | K118-L122 WeakPolarHBondContact O-CB 3.41Å; K118-L122 PolarHBondContact O-N 3.09Å; K119-L122 PolarHBondContact O-N 3.34Å; E120-L122 VanDerWaalsContact C-N 3.29Å; E120-L122 PolarHBondContact O-N 3.34Å; L122-S126 WeakPolarHBondContact O-CB 3.25Å; L122-S126 PolarHBondContact O-N 3.31Å; L122-S126 PolarHBondContact O-OG 3.39Å; L122-P145 HydrophobicContact CD1-CB 3.79Å; L122-E146 HydrophobicContact CD1-CB 4.5Å; L122-E146 HydrophobicContact CD1-CG 4.03Å; L122-T149 WeakPolarHBondContact CA-OG1 3.14Å; L122-T149 HydrophobicContact CB-CG2 4.17Å |
| 123 | D | 95.7 | Very high | 92.2 | Very high | 70 Ų | 70 | 40 Ų | 40 | 37% | 0.374 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -60.4 | -52.5 | 179.6 | -165.3 | 28.3 | 0 | 0 | 0 | 111.1 | H67 K119 E120 M121 S126 A127 | H67-D123 IonicContact CE1-OD2 2.66Å; H67-D123 PolarHBondContact CE1-OD2 3.14Å; H67-D123 IonicContact NE2-OD2 3.12Å; K119-D123 PolarHBondContact O-N 3.11Å; E120-D123 WeakPolarHBondContact O-CB 3.25Å; E120-D123 PolarHBondContact O-N 3.4Å; E120-D123 VanDerWaalsContact O-N 3.14Å; M121-D123 VanDerWaalsContact C-N 3.32Å; M121-D123 PolarHBondContact O-N 3.05Å; D123-S126 PolarHBondContact O-N 3Å; D123-A127 PolarHBondContact O-N 3.19Å |
| 124 | V | 92.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -66.4 | -44.3 | 179.3 | 178.4 | 0 | 0 | 0 | 0 | 111.8 | M107 Y108 V110 E120 S126 A127 I128 L183 | M107-V124 HydrophobicContact CG-CG1 4.24Å; M107-V124 WeakPolarHBondContact O-CG2 3.4Å; M107-V124 HydrophobicContact SD-CG1 4.22Å; Y108-V124 HydrophobicContact CD1-CB 3.58Å; Y108-V124 HydrophobicContact CD1-CG1 3.75Å; Y108-V124 HydrophobicContact CD1-CG2 3.95Å; Y108-V124 HydrophobicContact CE1-CB 3.59Å; Y108-V124 HydrophobicContact CE1-CG1 3.48Å; Y108-V124 VanDerWaalsContact CE1-CG1 3.48Å; Y108-V124 HydrophobicContact CE1-CG2 4.45Å; V110-V124 HydrophobicContact CG2-CG2 4.34Å; E120-V124 PolarHBondContact O-N 3.4Å; E120-V124 VanDerWaalsContact O-N 3.15Å; V124-S126 VanDerWaalsContact C-N 3.29Å; V124-S126 PolarHBondContact O-N 3.03Å; V124-A127 WeakPolarHBondContact O-CB 3.04Å; V124-A127 PolarHBondContact O-N 3.15Å; V124-I128 HydrophobicContact CG1-CD1 4.07Å; V124-I128 WeakPolarHBondContact O-CG1 3.18Å; V124-I128 PolarHBondContact O-N 3.07Å; V124-L183 HydrophobicContact CG1-CD2 4.25Å |
| 125 | V | 91.2 | Very high | 90.1 | Very high | 3 Ų | 3 | 46.6 Ų | 46.6 | 2% | 0.018 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.7 | -40.2 | 177.3 | 174.3 | 0 | 0 | 0 | 0 | 110.7 | Y108 M121 A127 I128 Y129 P145 K148 | Y108-V125 HydrophobicContact CE1-CG2 4.14Å; M121-V125 HydrophobicContact CG-CG2 4.09Å; M121-V125 WeakPolarHBondContact O-CB 3.32Å; M121-V125 WeakPolarHBondContact O-CG2 3.44Å; M121-V125 PolarHBondContact O-N 3.23Å; V125-A127 VanDerWaalsContact C-N 3.35Å; V125-A127 PolarHBondContact O-N 2.99Å; V125-I128 PolarHBondContact O-N 2.87Å; V125-Y129 HydrophobicContact CG1-CD2 3.91Å; V125-Y129 HydrophobicContact CG1-CE2 3.72Å; V125-Y129 WeakPolarHBondContact O-CD2 3.4Å; V125-Y129 PolarHBondContact O-N 3.18Å; V125-P145 HydrophobicContact CG1-CB 3.92Å; V125-K148 HydrophobicContact CG1-CB 4.09Å; V125-K148 HydrophobicContact CG1-CG 4.19Å |
| 126 | S | 93 | Very high | 89 | Confident | 26 Ų | 26 | 45.2 Ų | 45.2 | 18% | 0.182 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64 | -40.8 | 176.4 | -62 | 0 | 0 | 0 | 0 | 111.9 | L122 D123 V124 I128 Y129 K130 P145 | L122-S126 WeakPolarHBondContact O-CB 3.25Å; L122-S126 PolarHBondContact O-N 3.31Å; L122-S126 PolarHBondContact O-OG 3.39Å; D123-S126 PolarHBondContact O-N 3Å; V124-S126 VanDerWaalsContact C-N 3.29Å; V124-S126 PolarHBondContact O-N 3.03Å; S126-I128 VanDerWaalsContact C-N 3.35Å; S126-Y129 PolarHBondContact O-N 3.21Å; S126-K130 WeakPolarHBondContact O-CG 3.21Å; S126-K130 PolarHBondContact O-N 3.15Å; S126-P145 WeakPolarHBondContact OG-CB 3.4Å |
| 127 | A | 92.2 | Very high | 88.1 | Confident | 3 Ų | 3 | 55.5 Ų | 55.5 | 3% | 0.025 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.9 | -43.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | K63 F64 D123 V124 V125 K130 M131 | K63-A127 HydrophobicContact CB-CB 3.71Å; F64-A127 HydrophobicContact CB-CB 4.2Å; D123-A127 PolarHBondContact O-N 3.19Å; V124-A127 WeakPolarHBondContact O-CB 3.04Å; V124-A127 PolarHBondContact O-N 3.15Å; V125-A127 VanDerWaalsContact C-N 3.35Å; V125-A127 PolarHBondContact O-N 2.99Å; A127-K130 PolarHBondContact O-N 3.05Å; A127-M131 WeakPolarHBondContact O-CB 3.16Å; A127-M131 PolarHBondContact O-N 3.2Å; A127-M131 VanDerWaalsContact O-N 3.09Å |
| 128 | I | 87.6 | Confident | 87.1 | Confident | 2 Ų | 2 | 56.3 Ų | 56.3 | 1% | 0.01 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.8 | -45.1 | 175.6 | -67.3 | 165.9 | 0 | 0 | 0 | 111.2 | F64 V124 V125 S126 K130 M131 I132 L182 L183 | F64-I128 HydrophobicContact CD2-CG1 3.69Å; F64-I128 HydrophobicContact CE2-CD1 4.26Å; F64-I128 HydrophobicContact CE2-CG1 3.65Å; V124-I128 HydrophobicContact CG1-CD1 4.07Å; V124-I128 WeakPolarHBondContact O-CG1 3.18Å; V124-I128 PolarHBondContact O-N 3.07Å; V125-I128 PolarHBondContact O-N 2.87Å; S126-I128 VanDerWaalsContact C-N 3.35Å; I128-K130 VanDerWaalsContact C-N 3.3Å; I128-K130 PolarHBondContact O-N 3.2Å; I128-M131 PolarHBondContact O-N 3.5Å; I128-M131 VanDerWaalsContact O-N 3.11Å; I128-I132 HydrophobicContact CG2-CD1 4.04Å; I128-I132 HydrophobicContact CG2-CG1 3.94Å; I128-I132 WeakPolarHBondContact O-CG1 3.42Å; I128-I132 PolarHBondContact O-N 3.18Å; I128-L182 HydrophobicContact CD1-CB 4.15Å; I128-L182 HydrophobicContact CG2-CB 3.8Å; I128-L182 HydrophobicContact CG2-CD1 4.05Å; I128-L182 HydrophobicContact CG2-CD2 4.14Å; I128-L182 HydrophobicContact CG2-CG 4.21Å; I128-L183 HydrophobicContact CD1-CD2 3.82Å |
| 129 | Y | 88.4 | Confident | 86.5 | Confident | 26 Ų | 26 | 54.9 Ų | 54.9 | 10% | 0.102 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65 | -36.2 | -178.4 | -86.3 | -128.6 | 0 | 0 | 0 | 111.8 | V125 S126 M131 G133 I138 E142 P145 K148 | V125-Y129 HydrophobicContact CG1-CD2 3.91Å; V125-Y129 HydrophobicContact CG1-CE2 3.72Å; V125-Y129 WeakPolarHBondContact O-CD2 3.4Å; V125-Y129 PolarHBondContact O-N 3.18Å; S126-Y129 PolarHBondContact O-N 3.21Å; Y129-M131 VanDerWaalsContact C-N 3.33Å; Y129-G133 WeakPolarHBondContact O-CA 3.27Å; Y129-G133 PolarHBondContact O-N 2.98Å; Y129-I138 HydrophobicContact CD1-CD1 3.89Å; Y129-I138 HydrophobicContact CE1-CD1 3.47Å; Y129-I138 VanDerWaalsContact CE1-CD1 3.47Å; Y129-I138 HydrophobicContact CE1-CG2 4.3Å; Y129-I138 HydrophobicContact CE2-CD1 4.3Å; Y129-I138 HydrophobicContact CG-CD1 4.47Å; Y129-E142 WeakPolarHBondContact CE1-O 3.47Å; Y129-E142 PolarHBondContact OH-O 3.15Å; Y129-P145 HydrophobicContact CD1-CG 3.8Å; Y129-P145 HydrophobicContact CD2-CG 4.49Å; Y129-P145 HydrophobicContact CE1-CG 4.48Å; Y129-P145 HydrophobicContact CG-CG 3.8Å; Y129-K148 WeakPolarHBondContact OH-CB 3.49Å |
| 130 | K | 89.6 | Confident | 85.8 | Confident | 114 Ų | 114 | 53.1 Ų | 53.1 | 50% | 0.496 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -66.1 | -35.6 | 172.8 | -74.3 | 179.5 | 179.8 | -178.7 | 0 | 112.7 | D60 S126 A127 I128 | D60-K130 HydrophobicContact CB-CB 4.22Å; D60-K130 PolarHBondContact N-O 3.33Å; D60-K130 CarbonylContact O-C 3.33Å; S126-K130 WeakPolarHBondContact O-CG 3.21Å; S126-K130 PolarHBondContact O-N 3.15Å; A127-K130 PolarHBondContact O-N 3.05Å; I128-K130 VanDerWaalsContact C-N 3.3Å; I128-K130 PolarHBondContact O-N 3.2Å |
| 131 | M | 86.1 | Confident | 85.2 | Confident | 2 Ų | 2 | 56.7 Ų | 56.7 | 1% | 0.01 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -77.7 | -49.9 | -177.5 | -173 | 176.1 | 67.2 | 0 | 0 | 112.9 | Y52 F56 G59 D60 A61 F64 A127 I128 Y129 G186 | Y52-M131 HydrophobicContact CD1-SD 4.21Å; Y52-M131 HydrophobicContact CE1-SD 4.35Å; F56-M131 HydrophobicContact CB-CG 4.21Å; F56-M131 HydrophobicContact CD1-CG 3.97Å; F56-M131 HydrophobicContact CD1-SD 4.38Å; F56-M131 HydrophobicContact CD2-CG 4.28Å; F56-M131 HydrophobicContact CD2-SD 3.97Å; F56-M131 HydrophobicContact CE1-CG 4.43Å; F56-M131 HydrophobicContact CE1-SD 4.38Å; F56-M131 HydrophobicContact CE2-SD 3.99Å; F56-M131 HydrophobicContact CG-CG 3.89Å; F56-M131 HydrophobicContact CG-SD 4.18Å; F56-M131 HydrophobicContact CZ-CE 4.4Å; F56-M131 HydrophobicContact CZ-SD 4.2Å; G59-M131 WeakPolarHBondContact CA-O 3.43Å; D60-M131 WeakPolarHBondContact O-CA 3.29Å; D60-M131 PolarHBondContact O-N 3.35Å; A61-M131 HydrophobicContact CB-CB 4.48Å; A61-M131 HydrophobicContact CB-CG 3.68Å; A61-M131 HydrophobicContact CB-SD 3.72Å; F64-M131 HydrophobicContact CB-CE 4.25Å; F64-M131 HydrophobicContact CB-SD 3.8Å; F64-M131 HydrophobicContact CD1-CE 3.48Å; F64-M131 VanDerWaalsContact CD1-CE 3.48Å; F64-M131 HydrophobicContact CD1-SD 3.51Å; F64-M131 VanDerWaalsContact CD1-SD 3.51Å; F64-M131 HydrophobicContact CD2-CE 4.21Å; F64-M131 HydrophobicContact CE1-CE 3.79Å; F64-M131 HydrophobicContact CE1-SD 4.32Å; F64-M131 HydrophobicContact CE2-CE 4.48Å; F64-M131 HydrophobicContact CG-CE 3.69Å; F64-M131 HydrophobicContact CG-SD 3.79Å; F64-M131 HydrophobicContact CZ-CE 4.28Å; A127-M131 WeakPolarHBondContact O-CB 3.16Å; A127-M131 PolarHBondContact O-N 3.2Å; A127-M131 VanDerWaalsContact O-N 3.09Å; I128-M131 PolarHBondContact O-N 3.5Å; I128-M131 VanDerWaalsContact O-N 3.11Å; Y129-M131 VanDerWaalsContact C-N 3.33Å; M131-G186 VanDerWaalsContact CE-CA 3.46Å |
| 132 | I | 81.8 | Confident | 84.9 | Confident | 9 Ų | 9 | 57.8 Ų | 57.8 | 5% | 0.046 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -128.6 | 0.2 | -171.3 | 62.4 | 176.7 | 0 | 0 | 0 | 113.9 | F56 I128 N134 L135 L136 L182 E185 | F56-I132 HydrophobicContact CD1-CG2 3.92Å; F56-I132 HydrophobicContact CE1-CG2 3.79Å; I128-I132 HydrophobicContact CG2-CD1 4.04Å; I128-I132 HydrophobicContact CG2-CG1 3.94Å; I128-I132 WeakPolarHBondContact O-CG1 3.42Å; I128-I132 PolarHBondContact O-N 3.18Å; I132-N134 PolarHBondContact O-N 2.9Å; I132-L135 HydrophobicContact CG2-CD1 4.37Å; I132-L135 WeakPolarHBondContact O-CA 3.16Å; I132-L135 WeakPolarHBondContact O-CB 3.35Å; I132-L135 PolarHBondContact O-N 2.82Å; I132-L136 HydrophobicContact CD1-CD1 3.75Å; I132-L136 HydrophobicContact CG1-CD1 3.93Å; I132-L136 PolarHBondContact O-N 3.05Å; I132-L182 HydrophobicContact CD1-CD2 3.88Å; I132-E185 HydrophobicContact CD1-CB 4.41Å |
| 133 | G | 73.8 | Confident | 84.4 | Confident | 13 Ų | 13 | 57.5 Ų | 57.5 | 13% | 0.134 | 30% | 0.301 | C | S | . | . | G | 310 helix | trans | -58.5 | -36 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y129 L135 L136 | Y129-G133 WeakPolarHBondContact O-CA 3.27Å; Y129-G133 PolarHBondContact O-N 2.98Å; G133-L135 VanDerWaalsContact C-N 3.27Å; G133-L135 PolarHBondContact O-N 3.42Å; G133-L136 PolarHBondContact O-N 3.08Å; G133-L136 VanDerWaalsContact O-O 3.11Å |
| 134 | N | 74.6 | Confident | 84.2 | Confident | 148 Ų | 148 | 56.5 Ų | 56.5 | 79% | 0.791 | 30% | 0.297 | S | S | * | . | G | 310 helix | trans | -72.8 | -18.3 | 175.8 | -63.8 | -22.6 | 0 | 0 | 0 | 113.6 | I132 | I132-N134 PolarHBondContact O-N 2.9Š|
| 135 | L | 73.7 | Confident | 84.2 | Confident | 112 Ų | 112 | 57.5 Ų | 57.5 | 59% | 0.586 | 30% | 0.304 | S | S | * | . | G | 310 helix | trans | -90.4 | -14.2 | 178.9 | -59.3 | 177.6 | 0 | 0 | 0 | 112.1 | I132 G133 | I132-L135 HydrophobicContact CG2-CD1 4.37Å; I132-L135 WeakPolarHBondContact O-CA 3.16Å; I132-L135 WeakPolarHBondContact O-CB 3.35Å; I132-L135 PolarHBondContact O-N 2.82Å; G133-L135 VanDerWaalsContact C-N 3.27Å; G133-L135 PolarHBondContact O-N 3.42Å |
| 136 | L | 74.7 | Confident | 84.4 | Confident | 52 Ų | 52 | 62.5 Ų | 62.5 | 27% | 0.272 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -110.6 | 140.6 | -175.7 | -63.9 | 179.9 | 0 | 0 | 0 | 111.1 | I132 G133 I138 L182 | I132-L136 HydrophobicContact CD1-CD1 3.75Å; I132-L136 HydrophobicContact CG1-CD1 3.93Å; I132-L136 PolarHBondContact O-N 3.05Å; G133-L136 PolarHBondContact O-N 3.08Å; G133-L136 VanDerWaalsContact O-O 3.11Å; L136-I138 HydrophobicContact CB-CG1 4.14Å; L136-I138 PolarHBondContact O-N 3.32Å; L136-L182 HydrophobicContact CD1-CD2 3.28Å |
| 137 | K | 77 | Confident | 84.4 | Confident | 216 Ų | 216 | 65.8 Ų | 65.8 | 94% | 0.939 | 34% | 0.338 | S | S | * | . | trans | -80.9 | 99.6 | 166.9 | -70.7 | -171.8 | 179.7 | -177 | 0 | 108.6 | ||||
| 138 | I | 77.8 | Confident | 84.3 | Confident | 46 Ų | 46 | 65.8 Ų | 65.8 | 24% | 0.236 | 34% | 0.338 | C | S | . | . | trans | -92.4 | 127.7 | -179.9 | -53.3 | -177.9 | 0 | 0 | 0 | 109 | Y129 L136 E142 | Y129-I138 HydrophobicContact CD1-CD1 3.89Å; Y129-I138 HydrophobicContact CE1-CD1 3.47Å; Y129-I138 VanDerWaalsContact CE1-CD1 3.47Å; Y129-I138 HydrophobicContact CE1-CG2 4.3Å; Y129-I138 HydrophobicContact CE2-CD1 4.3Å; Y129-I138 HydrophobicContact CG-CD1 4.47Å; L136-I138 HydrophobicContact CB-CG1 4.14Å; L136-I138 PolarHBondContact O-N 3.32Å; I138-E142 VanDerWaalsContact CG2-C 3.44Å; I138-E142 HydrophobicContact CG2-CB 3.77Å; I138-E142 WeakPolarHBondContact CG2-O 3.5Å | ||
| 139 | P | 82.1 | Confident | 84.5 | Confident | 67 Ų | 67 | 65.8 Ų | 65.8 | 44% | 0.435 | 34% | 0.338 | S | S | . | . | trans | -56.5 | 151.7 | 174 | -26.3 | 35.9 | 0 | 0 | 0 | 112.9 | D141 E142 S143 | P139-D141 WeakPolarHBondContact CB-OD1 3.4Å; P139-D141 PolarHBondContact O-N 2.67Å; P139-E142 CarbonylContact O-C 3.48Å; P139-E142 WeakPolarHBondContact O-CA 3.44Å; P139-E142 PolarHBondContact O-N 2.85Å; P139-S143 WeakPolarHBondContact O-CA 3.21Å; P139-S143 PolarHBondContact O-N 3.49Å | ||
| 140 | D | 83.9 | Confident | 84.8 | Confident | 137 Ų | 137 | 68.3 Ų | 68.3 | 73% | 0.733 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -31.4 | -178.5 | -72 | -23.6 | 0 | 0 | 0 | 113.7 | E142 S143 K147 | D140-E142 PolarHBondContact O-N 2.94Å; D140-S143 PolarHBondContact O-N 2.97Å; D140-S143 PolarHBondContact O-OG 3.03Å; D140-K147 PolarHBondContact O-NZ 3.24Å |
| 141 | D | 85 | Confident | 84.8 | Confident | 89 Ų | 89 | 65.8 Ų | 65.8 | 48% | 0.476 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -8 | 175.9 | 71.4 | -54.3 | 0 | 0 | 0 | 113.4 | P139 K147 K151 | P139-D141 WeakPolarHBondContact CB-OD1 3.4Å; P139-D141 PolarHBondContact O-N 2.67Å; D141-K147 WeakPolarHBondContact O-CB 3.23Å; D141-K151 IonicContact OD2-NZ 2.77Å; D141-K151 PolarHBondContact OD2-NZ 3.31Å |
| 142 | E | 85.9 | Confident | 85 | Confident | 24 Ų | 24 | 65.8 Ų | 65.8 | 11% | 0.112 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -123.9 | 4.4 | 175.3 | -62.2 | -173.1 | 170 | 0 | 0 | 112.1 | Y129 I138 P139 D140 T144 K148 K151 | Y129-E142 WeakPolarHBondContact CE1-O 3.47Å; Y129-E142 PolarHBondContact OH-O 3.15Å; I138-E142 VanDerWaalsContact CG2-C 3.44Å; I138-E142 HydrophobicContact CG2-CB 3.77Å; I138-E142 WeakPolarHBondContact CG2-O 3.5Å; P139-E142 CarbonylContact O-C 3.48Å; P139-E142 WeakPolarHBondContact O-CA 3.44Å; P139-E142 PolarHBondContact O-N 2.85Å; D140-E142 PolarHBondContact O-N 2.94Å; E142-T144 PolarHBondContact O-N 3.38Å; E142-K148 HydrophobicContact CB-CD 4.07Å; E142-K148 VanDerWaalsContact CD-CD 3.48Å; E142-K148 HydrophobicContact CG-CD 3.85Å; E142-K148 IonicContact OE1-NZ 3.34Å; E142-K148 PolarHBondContact OE1-NZ 2.84Å; E142-K148 WeakPolarHBondContact OE2-CD 3.32Å; E142-K148 IonicContact OE2-NZ 3.45Å; E142-K148 PolarHBondContact OE2-NZ 2.7Å; E142-K151 HydrophobicContact CG-CD 4Å; E142-K151 VanDerWaalsContact OE1-CD 3.32Å; E142-K151 WeakPolarHBondContact OE1-CD 3.16Å; E142-K151 VanDerWaalsContact OE1-CE 3.27Å; E142-K151 WeakPolarHBondContact OE1-CE 3.45Å; E142-K151 IonicContact OE1-NZ 2.7Å; E142-K151 PolarHBondContact OE1-NZ 3.44Å |
| 143 | S | 86.6 | Confident | 85.5 | Confident | 49 Ų | 49 | 65.9 Ų | 65.9 | 34% | 0.343 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -56.4 | -17.5 | -169.9 | 47.9 | 0 | 0 | 0 | 0 | 116.1 | P139 D140 K147 | P139-S143 WeakPolarHBondContact O-CA 3.21Å; P139-S143 PolarHBondContact O-N 3.49Å; D140-S143 PolarHBondContact O-N 2.97Å; D140-S143 PolarHBondContact O-OG 3.03Å; S143-K147 PolarHBondContact OG-NZ 3.14Å |
| 144 | T | 91.3 | Very high | 86.3 | Confident | 48 Ų | 48 | 73.5 Ų | 73.5 | 29% | 0.294 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -125.2 | 154.5 | 174.8 | 81.5 | 0 | 0 | 0 | 0 | 110.8 | E142 E146 K147 K148 | E142-T144 PolarHBondContact O-N 3.38Å; T144-E146 WeakPolarHBondContact CB-OE2 3.47Å; T144-E146 PolarHBondContact O-N 2.77Å; T144-E146 PolarHBondContact OG1-OE2 2.82Å; T144-K147 PolarHBondContact O-N 3.2Å; T144-K147 VanDerWaalsContact O-N 3.16Å; T144-K147 PolarHBondContact OG1-N 3.25Å; T144-K148 PolarHBondContact O-N 3.07Å |
| 145 | P | 91.8 | Very high | 87 | Confident | 22 Ų | 22 | 69.3 Ų | 69.3 | 14% | 0.143 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -52 | -41.1 | 174.7 | -27.6 | 36.2 | 0 | 0 | 0 | 112.8 | L122 V125 S126 Y129 K147 K148 T149 | L122-P145 HydrophobicContact CD1-CB 3.79Å; V125-P145 HydrophobicContact CG1-CB 3.92Å; S126-P145 WeakPolarHBondContact OG-CB 3.4Å; Y129-P145 HydrophobicContact CD1-CG 3.8Å; Y129-P145 HydrophobicContact CD2-CG 4.49Å; Y129-P145 HydrophobicContact CE1-CG 4.48Å; Y129-P145 HydrophobicContact CG-CG 3.8Å; P145-K147 PolarHBondContact O-N 2.8Å; P145-K148 PolarHBondContact O-N 2.87Å; P145-T149 WeakPolarHBondContact O-CB 3.18Å; P145-T149 PolarHBondContact O-N 3.09Å; P145-T149 PolarHBondContact O-OG1 3.37Å |
| 146 | E | 95.3 | Very high | 87.9 | Confident | 107 Ų | 107 | 64.1 Ų | 64.1 | 50% | 0.5 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -64.4 | -42.9 | -178.4 | -56.5 | 74.1 | -163.5 | 0 | 0 | 111.7 | L122 T144 E150 | L122-E146 HydrophobicContact CD1-CB 4.5Å; L122-E146 HydrophobicContact CD1-CG 4.03Å; T144-E146 WeakPolarHBondContact CB-OE2 3.47Å; T144-E146 PolarHBondContact O-N 2.77Å; T144-E146 PolarHBondContact OG1-OE2 2.82Å; E146-E150 VanDerWaalsContact O-CB 3.3Å; E146-E150 WeakPolarHBondContact O-CB 3.34Å; E146-E150 PolarHBondContact O-N 2.9Å |
| 147 | K | 93.2 | Very high | 88.9 | Confident | 96 Ų | 96 | 62.9 Ų | 62.9 | 42% | 0.417 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -63.7 | -44.2 | 176.5 | -75.7 | 178.3 | 175.3 | 176.3 | 0 | 111.2 | D140 D141 S143 T144 P145 K151 | D140-K147 PolarHBondContact O-NZ 3.24Å; D141-K147 WeakPolarHBondContact O-CB 3.23Å; S143-K147 PolarHBondContact OG-NZ 3.14Å; T144-K147 PolarHBondContact O-N 3.2Å; T144-K147 VanDerWaalsContact O-N 3.16Å; T144-K147 PolarHBondContact OG1-N 3.25Å; P145-K147 PolarHBondContact O-N 2.8Å; K147-K151 WeakPolarHBondContact O-CB 3.1Å; K147-K151 PolarHBondContact O-N 2.82Å |
| 148 | K | 90.2 | Very high | 89.6 | Confident | 3 Ų | 3 | 58.6 Ų | 58.6 | 1% | 0.013 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.9 | -49.3 | 177.5 | -174.6 | 65.2 | 178 | -177.1 | 0 | 110.7 | V125 Y129 E142 T144 P145 E150 K151 L152 D176 S178 | V125-K148 HydrophobicContact CG1-CB 4.09Å; V125-K148 HydrophobicContact CG1-CG 4.19Å; Y129-K148 WeakPolarHBondContact OH-CB 3.49Å; E142-K148 HydrophobicContact CB-CD 4.07Å; E142-K148 VanDerWaalsContact CD-CD 3.48Å; E142-K148 HydrophobicContact CG-CD 3.85Å; E142-K148 IonicContact OE1-NZ 3.34Å; E142-K148 PolarHBondContact OE1-NZ 2.84Å; E142-K148 WeakPolarHBondContact OE2-CD 3.32Å; E142-K148 IonicContact OE2-NZ 3.45Å; E142-K148 PolarHBondContact OE2-NZ 2.7Å; T144-K148 PolarHBondContact O-N 3.07Å; P145-K148 PolarHBondContact O-N 2.87Å; K148-E150 PolarHBondContact O-N 3.34Å; K148-K151 PolarHBondContact O-N 2.56Å; K148-L152 HydrophobicContact CD-CG 4.34Å; K148-L152 HydrophobicContact CG-CD1 4.16Å; K148-L152 HydrophobicContact CG-CG 4.34Å; K148-L152 WeakPolarHBondContact O-CB 3.32Å; K148-L152 VanDerWaalsContact O-CG 3.28Å; K148-L152 WeakPolarHBondContact O-CG 3.27Å; K148-L152 PolarHBondContact O-N 2.76Å; K148-D176 IonicContact NZ-OD2 2.85Å; K148-S178 PolarHBondContact NZ-OG 2.77Å |
| 149 | T | 92.8 | Very high | 90.3 | Very high | 2 Ų | 2 | 60.9 Ų | 60.9 | 1% | 0.012 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -57.1 | -48.2 | 177.2 | -66.1 | 0 | 0 | 0 | 0 | 111.6 | K118 M121 L122 P145 K151 L152 F153 | K118-T149 HydrophobicContact CG-CG2 3.9Å; M121-T149 HydrophobicContact CB-CG2 4.02Å; M121-T149 HydrophobicContact CG-CG2 3.86Å; M121-T149 HydrophobicContact SD-CG2 4Å; L122-T149 WeakPolarHBondContact CA-OG1 3.14Å; L122-T149 HydrophobicContact CB-CG2 4.17Å; P145-T149 WeakPolarHBondContact O-CB 3.18Å; P145-T149 PolarHBondContact O-N 3.09Å; P145-T149 PolarHBondContact O-OG1 3.37Å; T149-K151 VanDerWaalsContact C-N 3.33Å; T149-K151 PolarHBondContact O-N 2.8Å; T149-L152 PolarHBondContact O-N 3.06Å; T149-F153 WeakPolarHBondContact O-CB 3.43Å; T149-F153 PolarHBondContact O-N 2.83Å |
| 150 | E | 93.1 | Very high | 90.8 | Very high | 78 Ų | 78 | 61.7 Ų | 61.7 | 36% | 0.364 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -57.4 | -46.3 | 177 | 178.9 | 60.6 | -149.7 | 0 | 0 | 112 | K118 E146 K148 F153 R154 | K118-E150 VanDerWaalsContact CE-OE2 3.23Å; K118-E150 WeakPolarHBondContact CE-OE2 3.31Å; K118-E150 IonicContact NZ-OE2 2.57Å; K118-E150 PolarHBondContact NZ-OE2 3.28Å; E146-E150 VanDerWaalsContact O-CB 3.3Å; E146-E150 WeakPolarHBondContact O-CB 3.34Å; E146-E150 PolarHBondContact O-N 2.9Å; K148-E150 PolarHBondContact O-N 3.34Å; E150-F153 PolarHBondContact O-N 3.48Å; E150-R154 VanDerWaalsContact O-CB 3.32Å; E150-R154 WeakPolarHBondContact O-CB 3.5Å; E150-R154 PolarHBondContact O-N 2.81Å |
| 151 | K | 91 | Very high | 91.4 | Very high | 61 Ų | 61 | 59.1 Ų | 59.1 | 27% | 0.265 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -63.1 | -44.1 | 179.7 | -176.5 | 177.7 | 178.6 | 178.4 | 0 | 111.7 | D141 E142 K147 K148 T149 L155 | D141-K151 IonicContact OD2-NZ 2.77Å; D141-K151 PolarHBondContact OD2-NZ 3.31Å; E142-K151 HydrophobicContact CG-CD 4Å; E142-K151 VanDerWaalsContact OE1-CD 3.32Å; E142-K151 WeakPolarHBondContact OE1-CD 3.16Å; E142-K151 VanDerWaalsContact OE1-CE 3.27Å; E142-K151 WeakPolarHBondContact OE1-CE 3.45Å; E142-K151 IonicContact OE1-NZ 2.7Å; E142-K151 PolarHBondContact OE1-NZ 3.44Å; K147-K151 WeakPolarHBondContact O-CB 3.1Å; K147-K151 PolarHBondContact O-N 2.82Å; K148-K151 PolarHBondContact O-N 2.56Å; T149-K151 VanDerWaalsContact C-N 3.33Å; T149-K151 PolarHBondContact O-N 2.8Å; K151-L155 WeakPolarHBondContact O-CB 3.36Å; K151-L155 PolarHBondContact O-N 3.38Å; K151-L155 VanDerWaalsContact O-N 3.11Å |
| 152 | L | 90.3 | Very high | 91.8 | Very high | 2 Ų | 2 | 56.5 Ų | 56.5 | 1% | 0.01 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65.1 | -48 | 178.1 | -68.9 | -174.5 | 0 | 0 | 0 | 111.3 | M121 K148 T149 R154 L155 M156 I179 | M121-L152 HydrophobicContact CE-CB 4.29Å; M121-L152 HydrophobicContact SD-CB 3.62Å; M121-L152 HydrophobicContact SD-CD1 4.14Å; K148-L152 HydrophobicContact CD-CG 4.34Å; K148-L152 HydrophobicContact CG-CD1 4.16Å; K148-L152 HydrophobicContact CG-CG 4.34Å; K148-L152 WeakPolarHBondContact O-CB 3.32Å; K148-L152 VanDerWaalsContact O-CG 3.28Å; K148-L152 WeakPolarHBondContact O-CG 3.27Å; K148-L152 PolarHBondContact O-N 2.76Å; T149-L152 PolarHBondContact O-N 3.06Å; L152-R154 PolarHBondContact O-N 2.85Å; L152-L155 WeakPolarHBondContact O-CB 3.39Å; L152-L155 PolarHBondContact O-N 3.38Å; L152-L155 VanDerWaalsContact O-N 3.08Å; L152-M156 WeakPolarHBondContact O-CB 3.4Å; L152-M156 VanDerWaalsContact O-CG 3.23Å; L152-M156 WeakPolarHBondContact O-CG 3.29Å; L152-M156 PolarHBondContact O-N 2.89Å; L152-I179 HydrophobicContact CD1-CD1 4.41Å; L152-I179 HydrophobicContact CD1-CG1 3.96Å; L152-I179 HydrophobicContact CD2-CD1 3.51Å; L152-I179 HydrophobicContact CD2-CG1 3.43Å; L152-I179 VanDerWaalsContact CD2-CG1 3.43Å; L152-I179 HydrophobicContact CG-CD1 4.43Å; L152-I179 HydrophobicContact CG-CG1 4.3Å |
| 153 | F | 91.6 | Very high | 92.4 | Very high | 12 Ų | 12 | 58.1 Ų | 58.1 | 5% | 0.053 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61 | -47.8 | -179.4 | -136.6 | -88.3 | 0 | 0 | 0 | 111.3 | I116 K118 M121 T149 E150 L155 M156 D157 G162 L164 | I116-F153 WeakPolarHBondContact O-CE2 3.19Å; I116-F153 WeakPolarHBondContact O-CZ 3.33Å; K118-F153 VanDerWaalsContact CA-CE2 3.5Å; K118-F153 HydrophobicContact CB-CD2 4.07Å; K118-F153 HydrophobicContact CB-CE2 3.96Å; K118-F153 HydrophobicContact CB-CG 4.46Å; K118-F153 HydrophobicContact CB-CZ 4.25Å; K118-F153 HydrophobicContact CG-CD2 4.29Å; K118-F153 HydrophobicContact CG-CG 4.47Å; K118-F153 VanDerWaalsContact N-CE2 3.31Å; M121-F153 HydrophobicContact CE-CD2 4.12Å; M121-F153 HydrophobicContact SD-CD2 3.97Å; T149-F153 WeakPolarHBondContact O-CB 3.43Å; T149-F153 PolarHBondContact O-N 2.83Å; E150-F153 PolarHBondContact O-N 3.48Å; F153-L155 PolarHBondContact O-N 3.48Å; F153-M156 PolarHBondContact O-N 3.18Å; F153-D157 HydrophobicContact CD1-CB 3.8Å; F153-D157 HydrophobicContact CE1-CB 3.91Å; F153-D157 VanDerWaalsContact O-CB 3.25Å; F153-D157 WeakPolarHBondContact O-CB 3.47Å; F153-D157 PolarHBondContact O-N 3.01Å; F153-G162 VanDerWaalsContact CE1-C 3.44Å; F153-G162 WeakPolarHBondContact CE1-O 3.44Å; F153-G162 WeakPolarHBondContact CZ-O 3.25Å; F153-L164 HydrophobicContact CD1-CD2 4.46Å; F153-L164 HydrophobicContact CD2-CD1 4.03Å; F153-L164 HydrophobicContact CD2-CG 4.21Å; F153-L164 HydrophobicContact CE1-CD2 4.18Å; F153-L164 HydrophobicContact CE1-CG 4.3Å; F153-L164 HydrophobicContact CE2-CD1 3.89Å; F153-L164 HydrophobicContact CE2-CD2 4.37Å; F153-L164 HydrophobicContact CE2-CG 3.7Å; F153-L164 HydrophobicContact CZ-CD1 4.44Å; F153-L164 HydrophobicContact CZ-CD2 4.14Å; F153-L164 HydrophobicContact CZ-CG 3.75Å |
| 154 | R | 90.9 | Very high | 92.9 | Very high | 172 Ų | 172 | 55.8 Ų | 55.8 | 65% | 0.649 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -60.9 | -30.5 | 175.6 | -173.4 | 178.9 | 66.1 | -148.6 | -1.7 | 113.2 | E150 L152 | E150-R154 VanDerWaalsContact O-CB 3.32Å; E150-R154 WeakPolarHBondContact O-CB 3.5Å; E150-R154 PolarHBondContact O-N 2.81Å; L152-R154 PolarHBondContact O-N 2.85Å |
| 155 | L | 89.9 | Confident | 93.1 | Very high | 61 Ų | 61 | 54.9 Ų | 54.9 | 32% | 0.319 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -73.4 | -36.7 | 176.5 | -179.7 | 67.3 | 0 | 0 | 0 | 111.4 | K151 L152 F153 K158 D176 | K151-L155 WeakPolarHBondContact O-CB 3.36Å; K151-L155 PolarHBondContact O-N 3.38Å; K151-L155 VanDerWaalsContact O-N 3.11Å; L152-L155 WeakPolarHBondContact O-CB 3.39Å; L152-L155 PolarHBondContact O-N 3.38Å; L152-L155 VanDerWaalsContact O-N 3.08Å; F153-L155 PolarHBondContact O-N 3.48Å; L155-K158 WeakPolarHBondContact O-CE 3.14Å; L155-K158 PolarHBondContact O-NZ 2.92Å; L155-D176 HydrophobicContact CD2-CB 3.7Å |
| 156 | M | 92.3 | Very high | 93.3 | Very high | 2 Ų | 2 | 57.1 Ų | 57.1 | 1% | 0.01 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -96.2 | -44.6 | -166.8 | -70.1 | 178.4 | 137.4 | 0 | 0 | 114.1 | M121 L152 F153 K158 L164 F169 G172 A173 I179 | M121-M156 HydrophobicContact CE-SD 4.15Å; L152-M156 WeakPolarHBondContact O-CB 3.4Å; L152-M156 VanDerWaalsContact O-CG 3.23Å; L152-M156 WeakPolarHBondContact O-CG 3.29Å; L152-M156 PolarHBondContact O-N 2.89Å; F153-M156 PolarHBondContact O-N 3.18Å; M156-K158 WeakPolarHBondContact O-CG 3.33Å; M156-K158 PolarHBondContact O-N 3.22Å; M156-L164 HydrophobicContact CB-CD1 3.78Å; M156-L164 HydrophobicContact CB-CD2 3.5Å; M156-L164 HydrophobicContact CB-CG 4.29Å; M156-L164 HydrophobicContact CG-CD1 4.4Å; M156-L164 HydrophobicContact SD-CD1 3.77Å; M156-F169 HydrophobicContact CE-CD2 3.96Å; M156-F169 HydrophobicContact CE-CE2 4.35Å; M156-F169 HydrophobicContact CE-CG 4.44Å; M156-F169 VanDerWaalsContact CE-O 3.29Å; M156-F169 WeakPolarHBondContact CE-O 3.24Å; M156-F169 HydrophobicContact SD-CD2 4.29Å; M156-G172 VanDerWaalsContact CE-C 3.5Å; M156-A173 HydrophobicContact CE-CB 4.29Å; M156-A173 VanDerWaalsContact CE-N 3.31Å; M156-I179 HydrophobicContact CE-CD1 3.06Å; M156-I179 HydrophobicContact CE-CG1 4.44Å; M156-I179 HydrophobicContact CE-CG2 4.46Å; M156-I179 HydrophobicContact SD-CD1 3.84Å |
| 157 | D | 94.8 | Very high | 93.2 | Very high | 27 Ų | 27 | 58.2 Ų | 58.2 | 14% | 0.144 | 30% | 0.299 | C | S | . | . | trans | -70.6 | 93.1 | -178 | -178 | -2.6 | 0 | 0 | 0 | 108.7 | F153 N159 A160 D161 G162 L164 | F153-D157 HydrophobicContact CD1-CB 3.8Å; F153-D157 HydrophobicContact CE1-CB 3.91Å; F153-D157 VanDerWaalsContact O-CB 3.25Å; F153-D157 WeakPolarHBondContact O-CB 3.47Å; F153-D157 PolarHBondContact O-N 3.01Å; D157-N159 PolarHBondContact OD1-OD1 3.36Å; D157-A160 WeakPolarHBondContact OD1-CA 3.4Å; D157-A160 PolarHBondContact OD1-N 3.01Å; D157-D161 PolarHBondContact OD1-N 2.68Å; D157-G162 WeakPolarHBondContact OD2-CA 3.45Å; D157-G162 PolarHBondContact OD2-N 3.06Å; D157-L164 VanDerWaalsContact CA-CD2 3.5Å; D157-L164 HydrophobicContact CB-CD2 3.6Å; D157-L164 VanDerWaalsContact N-CD2 3.28Å | ||
| 158 | K | 91.2 | Very high | 93.3 | Very high | 125 Ų | 125 | 54.3 Ų | 54.3 | 54% | 0.543 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -88.5 | -29.3 | -172.8 | -69.6 | -47.9 | -173.4 | -167.3 | 0 | 112.1 | L155 M156 E168 | L155-K158 WeakPolarHBondContact O-CE 3.14Å; L155-K158 PolarHBondContact O-NZ 2.92Å; M156-K158 WeakPolarHBondContact O-CG 3.33Å; M156-K158 PolarHBondContact O-N 3.22Å; K158-E168 PolarHBondContact N-OE1 3.15Å; K158-E168 VanDerWaalsContact N-OE1 3.07Å |
| 159 | N | 93.8 | Very high | 93.5 | Very high | 95 Ų | 95 | 54.1 Ų | 54.1 | 51% | 0.508 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -87.8 | -9.2 | 177.5 | 67.7 | 2.9 | 0 | 0 | 0 | 112.4 | D157 D161 | D157-N159 PolarHBondContact OD1-OD1 3.36Å; N159-D161 VanDerWaalsContact C-N 3.31Å; N159-D161 VanDerWaalsContact ND2-CG 3.33Å; N159-D161 PolarHBondContact ND2-OD2 2.75Å; N159-D161 PolarHBondContact OD1-N 3.34Å; N159-D161 VanDerWaalsContact OD1-N 3.1Å; N159-D161 PolarHBondContact OD1-OD1 2.95Å; N159-D161 PolarHBondContact OD1-OD2 2.66Å |
| 160 | A | 92.3 | Very high | 93.4 | Very high | 84 Ų | 84 | 55.5 Ų | 55.5 | 69% | 0.694 | 29% | 0.29 | S | S | * | . | trans | 60.8 | 36.1 | -180 | 0 | 0 | 0 | 0 | 0 | 113.1 | D157 | D157-A160 WeakPolarHBondContact OD1-CA 3.4Å; D157-A160 PolarHBondContact OD1-N 3.01Å | ||
| 161 | D | 95.7 | Very high | 93.2 | Very high | 82 Ų | 82 | 57.6 Ų | 57.6 | 44% | 0.439 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -87.4 | -7.9 | 177.7 | 72.3 | 12.1 | 0 | 0 | 0 | 113.4 | D157 N159 L163 | D157-D161 PolarHBondContact OD1-N 2.68Å; N159-D161 VanDerWaalsContact C-N 3.31Å; N159-D161 VanDerWaalsContact ND2-CG 3.33Å; N159-D161 PolarHBondContact ND2-OD2 2.75Å; N159-D161 PolarHBondContact OD1-N 3.34Å; N159-D161 VanDerWaalsContact OD1-N 3.1Å; N159-D161 PolarHBondContact OD1-OD1 2.95Å; N159-D161 PolarHBondContact OD1-OD2 2.66Å; D161-L163 WeakPolarHBondContact OD1-CA 3.46Å; D161-L163 WeakPolarHBondContact OD1-CB 3.5Å; D161-L163 PolarHBondContact OD1-N 3.16Å |
| 162 | G | 94.9 | Very high | 93.1 | Very high | 35 Ų | 35 | 54.9 Ų | 54.9 | 36% | 0.361 | 28% | 0.284 | S | S | . | . | S | Bend | trans | 84.6 | 7.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | F153 D157 | F153-G162 VanDerWaalsContact CE1-C 3.44Å; F153-G162 WeakPolarHBondContact CE1-O 3.44Å; F153-G162 WeakPolarHBondContact CZ-O 3.25Å; D157-G162 WeakPolarHBondContact OD2-CA 3.45Å; D157-G162 PolarHBondContact OD2-N 3.06Å |
| 163 | L | 97.2 | Very high | 93 | Very high | 57 Ų | 57 | 55 Ų | 55 | 30% | 0.298 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 152.2 | 177.3 | -63.3 | 177 | 0 | 0 | 0 | 109.5 | F115 D161 | F115-L163 HydrophobicContact CB-CB 4.11Å; F115-L163 HydrophobicContact CB-CD1 4.36Å; F115-L163 HydrophobicContact CB-CD2 4.39Å; F115-L163 HydrophobicContact CD1-CB 4.16Å; F115-L163 HydrophobicContact CD1-CD1 4.49Å; F115-L163 HydrophobicContact CG-CB 4.39Å; F115-L163 HydrophobicContact CG-CD1 4.3Å; D161-L163 WeakPolarHBondContact OD1-CA 3.46Å; D161-L163 WeakPolarHBondContact OD1-CB 3.5Å; D161-L163 PolarHBondContact OD1-N 3.16Å |
| 164 | L | 96.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 118.2 | 171.1 | -54.3 | 178.1 | 0 | 0 | 0 | 110 | F115 I116 M121 F153 M156 D157 | F115-L164 CarbonylContact C-O 3.42Å; F115-L164 WeakPolarHBondContact CA-O 3.28Å; I116-L164 HydrophobicContact CB-CB 4.14Å; I116-L164 PolarHBondContact N-O 2.89Å; I116-L164 PolarHBondContact O-N 3.22Å; M121-L164 HydrophobicContact CE-CD1 3.37Å; F153-L164 HydrophobicContact CD1-CD2 4.46Å; F153-L164 HydrophobicContact CD2-CD1 4.03Å; F153-L164 HydrophobicContact CD2-CG 4.21Å; F153-L164 HydrophobicContact CE1-CD2 4.18Å; F153-L164 HydrophobicContact CE1-CG 4.3Å; F153-L164 HydrophobicContact CE2-CD1 3.89Å; F153-L164 HydrophobicContact CE2-CD2 4.37Å; F153-L164 HydrophobicContact CE2-CG 3.7Å; F153-L164 HydrophobicContact CZ-CD1 4.44Å; F153-L164 HydrophobicContact CZ-CD2 4.14Å; F153-L164 HydrophobicContact CZ-CG 3.75Å; M156-L164 HydrophobicContact CB-CD1 3.78Å; M156-L164 HydrophobicContact CB-CD2 3.5Å; M156-L164 HydrophobicContact CB-CG 4.29Å; M156-L164 HydrophobicContact CG-CD1 4.4Å; M156-L164 HydrophobicContact SD-CD1 3.77Å; D157-L164 VanDerWaalsContact CA-CD2 3.5Å; D157-L164 HydrophobicContact CB-CD2 3.6Å; D157-L164 VanDerWaalsContact N-CD2 3.28Å |
| 165 | S | 96.8 | Very high | 92.2 | Very high | 30 Ų | 30 | 56.5 Ų | 56.5 | 21% | 0.21 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 160.7 | 165.5 | 62.6 | 0 | 0 | 0 | 0 | 111.6 | E167 E168 F169 | S165-E167 PolarHBondContact O-N 2.8Å; S165-E168 PolarHBondContact N-OE2 3.36Å; S165-E168 PolarHBondContact O-N 3.28Å; S165-E168 WeakPolarHBondContact OG-CG 3.37Å; S165-E168 PolarHBondContact OG-N 3.47Å; S165-E168 PolarHBondContact OG-OE2 3.38Å; S165-F169 WeakPolarHBondContact O-CB 3.25Å; S165-F169 PolarHBondContact O-N 2.89Å |
| 166 | L | 95 | Very high | 91.7 | Very high | 68 Ų | 68 | 55.2 Ų | 55.2 | 36% | 0.356 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -54 | -37.9 | 172.3 | 175.9 | 62.4 | 0 | 0 | 0 | 112.1 | E102 F105 F169 V170 | E102-L166 HydrophobicContact CG-CD1 4.31Å; E102-L166 HydrophobicContact CG-CD2 4.34Å; F105-L166 HydrophobicContact CB-CD1 3.63Å; F105-L166 HydrophobicContact CD1-CD1 4.11Å; F105-L166 HydrophobicContact CD2-CB 4.18Å; F105-L166 HydrophobicContact CD2-CD1 3.83Å; F105-L166 HydrophobicContact CE1-CB 4.48Å; F105-L166 VanDerWaalsContact CE2-CA 3.48Å; F105-L166 HydrophobicContact CE2-CB 4.09Å; F105-L166 HydrophobicContact CG-CB 4.41Å; F105-L166 HydrophobicContact CG-CD1 3.56Å; F105-L166 HydrophobicContact CZ-CB 4.26Å; L166-F169 PolarHBondContact O-N 3.19Å; L166-V170 HydrophobicContact CD1-CG2 3.86Å; L166-V170 HydrophobicContact CG-CG2 4.29Å; L166-V170 WeakPolarHBondContact O-CB 3.3Å; L166-V170 WeakPolarHBondContact O-CG2 3.37Å; L166-V170 PolarHBondContact O-N 3.45Å |
| 167 | E | 94.6 | Very high | 90.9 | Very high | 130 Ų | 130 | 63 Ų | 63 | 61% | 0.607 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -64.8 | -46.1 | 179.1 | -168.2 | -172 | 156.6 | 0 | 0 | 111.9 | S165 V170 R171 | S165-E167 PolarHBondContact O-N 2.8Å; E167-V170 PolarHBondContact O-N 2.88Å; E167-R171 VanDerWaalsContact O-CB 3.25Å; E167-R171 WeakPolarHBondContact O-CB 3.37Å; E167-R171 PolarHBondContact O-N 2.91Å; E167-R171 IonicContact OE1-CZ 3.84Å; E167-R171 IonicContact OE1-NH2 2.66Å; E167-R171 PolarHBondContact OE1-NH2 3.03Å |
| 168 | E | 95.1 | Very high | 89.9 | Confident | 14 Ų | 14 | 63 Ų | 63 | 7% | 0.065 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -64.7 | -42.5 | 176.9 | -75.3 | 168.4 | 129.5 | 0 | 0 | 111.8 | K158 S165 R171 G172 | K158-E168 PolarHBondContact N-OE1 3.15Å; K158-E168 VanDerWaalsContact N-OE1 3.07Å; S165-E168 PolarHBondContact N-OE2 3.36Å; S165-E168 PolarHBondContact O-N 3.28Å; S165-E168 WeakPolarHBondContact OG-CG 3.37Å; S165-E168 PolarHBondContact OG-N 3.47Å; S165-E168 PolarHBondContact OG-OE2 3.38Å; E168-R171 PolarHBondContact O-N 3.02Å; E168-G172 PolarHBondContact O-N 3.34Å |
| 169 | F | 93 | Very high | 89.1 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60.2 | -50.9 | 175.3 | -178.1 | -94.7 | 0 | 0 | 0 | 111.5 | L101 A104 F105 Y108 I116 M156 S165 L166 R171 G172 A173 I179 | L101-F169 HydrophobicContact CD2-CE1 4.48Å; A104-F169 HydrophobicContact CB-CE1 4Å; A104-F169 HydrophobicContact CB-CZ 4.02Å; F105-F169 HydrophobicContact CB-CD1 3.88Å; F105-F169 HydrophobicContact CB-CE1 4.07Å; F105-F169 HydrophobicContact CB-CG 4.47Å; F105-F169 HydrophobicContact CD2-CB 3.65Å; F105-F169 AromaticContact CD2-CD1 3.97Å; F105-F169 HydrophobicContact CD2-CD1 3.97Å; F105-F169 HydrophobicContact CD2-CD2 4.41Å; F105-F169 AromaticContact CD2-CG 3.76Å; F105-F169 HydrophobicContact CD2-CG 3.76Å; F105-F169 HydrophobicContact CE2-CB 4.14Å; F105-F169 HydrophobicContact CG-CD1 4.45Å; Y108-F169 AromaticContact CD2-CE2 3.46Å; Y108-F169 HydrophobicContact CD2-CE2 3.46Å; Y108-F169 VanDerWaalsContact CD2-CE2 3.46Å; Y108-F169 AromaticContact CD2-CZ 3.62Å; Y108-F169 HydrophobicContact CD2-CZ 3.62Å; Y108-F169 AromaticContact CE2-CE2 3.78Å; Y108-F169 HydrophobicContact CE2-CE2 3.78Å; Y108-F169 AromaticContact CE2-CZ 3.86Å; Y108-F169 HydrophobicContact CE2-CZ 3.86Å; Y108-F169 HydrophobicContact CG-CE2 4.34Å; I116-F169 HydrophobicContact CD1-CB 4.38Å; I116-F169 HydrophobicContact CD1-CD2 3.5Å; I116-F169 HydrophobicContact CD1-CE2 3.97Å; I116-F169 HydrophobicContact CD1-CG 4.03Å; M156-F169 HydrophobicContact CE-CD2 3.96Å; M156-F169 HydrophobicContact CE-CE2 4.35Å; M156-F169 HydrophobicContact CE-CG 4.44Å; M156-F169 VanDerWaalsContact CE-O 3.29Å; M156-F169 WeakPolarHBondContact CE-O 3.24Å; M156-F169 HydrophobicContact SD-CD2 4.29Å; S165-F169 WeakPolarHBondContact O-CB 3.25Å; S165-F169 PolarHBondContact O-N 2.89Å; L166-F169 PolarHBondContact O-N 3.19Å; F169-R171 VanDerWaalsContact C-N 3.32Å; F169-R171 PolarHBondContact O-N 3.45Å; F169-G172 PolarHBondContact O-N 2.84Å; F169-A173 WeakPolarHBondContact O-CB 3.39Å; F169-A173 PolarHBondContact O-N 2.86Å; F169-I179 HydrophobicContact CE2-CG2 3.89Å; F169-I179 HydrophobicContact CZ-CG2 3.93Å |
| 170 | V | 91.3 | Very high | 88.1 | Confident | 31 Ų | 31 | 53.7 Ų | 53.7 | 19% | 0.188 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -59.7 | -43.4 | 178.4 | 165.4 | 0 | 0 | 0 | 0 | 111 | L101 L166 E167 K174 | L101-V170 HydrophobicContact CB-CG2 4.13Å; L101-V170 HydrophobicContact CD1-CG1 4.1Å; L101-V170 HydrophobicContact CD1-CG2 4.46Å; L166-V170 HydrophobicContact CD1-CG2 3.86Å; L166-V170 HydrophobicContact CG-CG2 4.29Å; L166-V170 WeakPolarHBondContact O-CB 3.3Å; L166-V170 WeakPolarHBondContact O-CG2 3.37Å; L166-V170 PolarHBondContact O-N 3.45Å; E167-V170 PolarHBondContact O-N 2.88Å; V170-K174 HydrophobicContact CG1-CD 4.28Å; V170-K174 VanDerWaalsContact O-CG 3.29Å; V170-K174 WeakPolarHBondContact O-CG 3.42Å; V170-K174 PolarHBondContact O-N 3.3Å; V170-K174 VanDerWaalsContact O-N 3.08Å |
| 171 | R | 89.9 | Confident | 87.3 | Confident | 121 Ų | 121 | 56.4 Ų | 56.4 | 46% | 0.457 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -65 | -43.1 | 179 | -170.1 | -172 | -54.5 | -175.9 | 3.1 | 111.9 | E167 E168 F169 S175 | E167-R171 VanDerWaalsContact O-CB 3.25Å; E167-R171 WeakPolarHBondContact O-CB 3.37Å; E167-R171 PolarHBondContact O-N 2.91Å; E167-R171 IonicContact OE1-CZ 3.84Å; E167-R171 IonicContact OE1-NH2 2.66Å; E167-R171 PolarHBondContact OE1-NH2 3.03Å; E168-R171 PolarHBondContact O-N 3.02Å; F169-R171 VanDerWaalsContact C-N 3.32Å; F169-R171 PolarHBondContact O-N 3.45Å; R171-S175 PolarHBondContact O-N 3.39Å; R171-S175 PolarHBondContact O-OG 3.03Å |
| 172 | G | 88.7 | Confident | 86.1 | Confident | 5 Ų | 5 | 53.7 Ų | 53.7 | 5% | 0.052 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -69.4 | -42.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | M156 E168 F169 K174 S175 D176 | M156-G172 VanDerWaalsContact CE-C 3.5Å; E168-G172 PolarHBondContact O-N 3.34Å; F169-G172 PolarHBondContact O-N 2.84Å; G172-K174 VanDerWaalsContact C-N 3.26Å; G172-K174 PolarHBondContact O-N 3.21Å; G172-S175 CarbonylContact O-C 3.58Å; G172-S175 WeakPolarHBondContact O-CA 3.23Å; G172-S175 WeakPolarHBondContact O-CB 3.38Å; G172-S175 PolarHBondContact O-N 3.05Å; G172-D176 PolarHBondContact O-N 3.18Å |
| 173 | A | 87.5 | Confident | 84.9 | Confident | 5 Ų | 5 | 52.1 Ų | 52.1 | 4% | 0.041 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.7 | -30.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L101 M156 F169 S175 D176 V180 | L101-A173 HydrophobicContact CD2-CB 3.41Å; L101-A173 VanDerWaalsContact CD2-CB 3.41Å; M156-A173 HydrophobicContact CE-CB 4.29Å; M156-A173 VanDerWaalsContact CE-N 3.31Å; F169-A173 WeakPolarHBondContact O-CB 3.39Å; F169-A173 PolarHBondContact O-N 2.86Å; A173-S175 VanDerWaalsContact C-N 3.3Å; A173-D176 CarbonylContact O-C 3.58Å; A173-V180 HydrophobicContact CB-CG2 3.98Å |
| 174 | K | 83.5 | Confident | 83.7 | Confident | 120 Ų | 120 | 52.9 Ų | 52.9 | 52% | 0.522 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -67.7 | -29.6 | 169.2 | -75.9 | 174.6 | 179.1 | -179.5 | 0 | 112.9 | V170 G172 | V170-K174 HydrophobicContact CG1-CD 4.28Å; V170-K174 VanDerWaalsContact O-CG 3.29Å; V170-K174 WeakPolarHBondContact O-CG 3.42Å; V170-K174 PolarHBondContact O-N 3.3Å; V170-K174 VanDerWaalsContact O-N 3.08Å; G172-K174 VanDerWaalsContact C-N 3.26Å; G172-K174 PolarHBondContact O-N 3.21Å |
| 175 | S | 81.7 | Confident | 82.5 | Confident | 94 Ų | 94 | 56 Ų | 56 | 66% | 0.657 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -86.7 | -34 | -179.2 | -54.3 | 0 | 0 | 0 | 0 | 112.6 | R171 G172 A173 | R171-S175 PolarHBondContact O-N 3.39Å; R171-S175 PolarHBondContact O-OG 3.03Å; G172-S175 CarbonylContact O-C 3.58Å; G172-S175 WeakPolarHBondContact O-CA 3.23Å; G172-S175 WeakPolarHBondContact O-CB 3.38Å; G172-S175 PolarHBondContact O-N 3.05Å; A173-S175 VanDerWaalsContact C-N 3.3Å |
| 176 | D | 79.1 | Confident | 80.9 | Confident | 34 Ų | 34 | 54.6 Ų | 54.6 | 18% | 0.182 | 26% | 0.263 | C | S | . | . | trans | -127.5 | 99.8 | 175.8 | -172.7 | -13.6 | 0 | 0 | 0 | 110.2 | K148 L155 G172 A173 S178 I179 | K148-D176 IonicContact NZ-OD2 2.85Å; L155-D176 HydrophobicContact CD2-CB 3.7Å; G172-D176 PolarHBondContact O-N 3.18Å; A173-D176 CarbonylContact O-C 3.58Å; D176-S178 PolarHBondContact O-N 2.67Å; D176-S178 WeakPolarHBondContact OD1-CB 3.21Å; D176-S178 PolarHBondContact OD1-N 2.76Å; D176-S178 PolarHBondContact OD1-OG 3.11Å; D176-S178 PolarHBondContact OD2-OG 3.49Å; D176-I179 HydrophobicContact CB-CD1 4.28Å; D176-I179 HydrophobicContact CB-CG1 4.49Å; D176-I179 WeakPolarHBondContact O-CG1 3.45Å; D176-I179 PolarHBondContact O-N 3.46Å | ||
| 177 | K | 75.7 | Confident | 79.4 | Confident | 166 Ų | 166 | 51.6 Ų | 51.6 | 72% | 0.722 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -14.4 | -179.6 | -64.8 | -174.6 | -179.9 | -178.7 | 0 | 113.4 | I179 V180 R181 | K177-I179 PolarHBondContact O-N 2.96Å; K177-V180 PolarHBondContact O-N 3.08Å; K177-R181 VanDerWaalsContact O-CB 3.23Å; K177-R181 WeakPolarHBondContact O-CB 3.4Å; K177-R181 PolarHBondContact O-N 2.91Å |
| 178 | S | 75.3 | Confident | 77.8 | Confident | 28 Ų | 28 | 49 Ų | 49 | 20% | 0.196 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.7 | -26.7 | -178.9 | 67.2 | 0 | 0 | 0 | 0 | 112.8 | K148 D176 R181 L182 | K148-S178 PolarHBondContact NZ-OG 2.77Å; D176-S178 PolarHBondContact O-N 2.67Å; D176-S178 WeakPolarHBondContact OD1-CB 3.21Å; D176-S178 PolarHBondContact OD1-N 2.76Å; D176-S178 PolarHBondContact OD1-OG 3.11Å; D176-S178 PolarHBondContact OD2-OG 3.49Å; S178-R181 PolarHBondContact O-N 3.22Å; S178-L182 PolarHBondContact O-N 2.98Å |
| 179 | I | 73.4 | Confident | 75.9 | Confident | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.005 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -64.4 | -50.2 | -179.6 | -55.8 | 176.9 | 0 | 0 | 0 | 110.7 | Y108 L152 M156 F169 D176 K177 | Y108-I179 HydrophobicContact CE2-CG2 3.99Å; L152-I179 HydrophobicContact CD1-CD1 4.41Å; L152-I179 HydrophobicContact CD1-CG1 3.96Å; L152-I179 HydrophobicContact CD2-CD1 3.51Å; L152-I179 HydrophobicContact CD2-CG1 3.43Å; L152-I179 VanDerWaalsContact CD2-CG1 3.43Å; L152-I179 HydrophobicContact CG-CD1 4.43Å; L152-I179 HydrophobicContact CG-CG1 4.3Å; M156-I179 HydrophobicContact CE-CD1 3.06Å; M156-I179 HydrophobicContact CE-CG1 4.44Å; M156-I179 HydrophobicContact CE-CG2 4.46Å; M156-I179 HydrophobicContact SD-CD1 3.84Å; F169-I179 HydrophobicContact CE2-CG2 3.89Å; F169-I179 HydrophobicContact CZ-CG2 3.93Å; D176-I179 HydrophobicContact CB-CD1 4.28Å; D176-I179 HydrophobicContact CB-CG1 4.49Å; D176-I179 WeakPolarHBondContact O-CG1 3.45Å; D176-I179 PolarHBondContact O-N 3.46Å; K177-I179 PolarHBondContact O-N 2.96Å |
| 180 | V | 72.7 | Confident | 73.2 | Confident | 22 Ų | 22 | 54 Ų | 54 | 13% | 0.133 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -77.1 | -34.9 | 178.7 | -177.4 | 0 | 0 | 0 | 0 | 110.4 | L101 A173 K177 L182 L183 E184 | L101-V180 HydrophobicContact CD2-CG2 3.39Å; A173-V180 HydrophobicContact CB-CG2 3.98Å; K177-V180 PolarHBondContact O-N 3.08Å; V180-L182 PolarHBondContact O-N 3.06Å; V180-L183 WeakPolarHBondContact O-CB 3.41Å; V180-L183 PolarHBondContact O-N 2.71Å; V180-E184 HydrophobicContact CG1-CG 3.76Å; V180-E184 WeakPolarHBondContact O-CB 3.15Å; V180-E184 WeakPolarHBondContact O-CG 3.35Å; V180-E184 PolarHBondContact O-N 2.9Å |
| 181 | R | 76.1 | Confident | 70.6 | Confident | 142 Ų | 142 | 65.6 Ų | 65.6 | 54% | 0.536 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -58.7 | -47.8 | -175.9 | -178.9 | 179.6 | 173.5 | -167.5 | -7.3 | 112.5 | K177 S178 L183 E184 E185 | K177-R181 VanDerWaalsContact O-CB 3.23Å; K177-R181 WeakPolarHBondContact O-CB 3.4Å; K177-R181 PolarHBondContact O-N 2.91Å; S178-R181 PolarHBondContact O-N 3.22Å; R181-L183 VanDerWaalsContact C-N 3.28Å; R181-L183 PolarHBondContact O-N 2.76Å; R181-E184 PolarHBondContact O-N 2.84Å; R181-E185 HydrophobicContact CG-CG 4.35Å; R181-E185 WeakPolarHBondContact CG-OE1 3.4Å; R181-E185 IonicContact CZ-OE1 2.76Å; R181-E185 VanDerWaalsContact CZ-OE1 3.32Å; R181-E185 IonicContact NE-OE1 3.93Å; R181-E185 PolarHBondContact NE-OE1 2.8Å; R181-E185 IonicContact NH2-OE1 2.84Å; R181-E185 PolarHBondContact NH2-OE1 3.01Å; R181-E185 WeakPolarHBondContact O-CB 3.23Å; R181-E185 VanDerWaalsContact O-CG 3.28Å; R181-E185 WeakPolarHBondContact O-CG 3.32Å; R181-E185 PolarHBondContact O-N 2.57Å |
| 182 | L | 70.7 | Confident | 69.6 | Low | 25 Ų | 25 | 62.9 Ų | 62.9 | 13% | 0.131 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -65.8 | -35.4 | -179 | -68.7 | 172.2 | 0 | 0 | 0 | 111.9 | I128 I132 L136 S178 V180 G186 | I128-L182 HydrophobicContact CD1-CB 4.15Å; I128-L182 HydrophobicContact CG2-CB 3.8Å; I128-L182 HydrophobicContact CG2-CD1 4.05Å; I128-L182 HydrophobicContact CG2-CD2 4.14Å; I128-L182 HydrophobicContact CG2-CG 4.21Å; I132-L182 HydrophobicContact CD1-CD2 3.88Å; L136-L182 HydrophobicContact CD1-CD2 3.28Å; S178-L182 PolarHBondContact O-N 2.98Å; V180-L182 PolarHBondContact O-N 3.06Å; L182-G186 PolarHBondContact O-N 3.1Å |
| 183 | L | 68.9 | Low | 68.6 | Low | 2 Ų | 2 | 65.9 Ų | 65.9 | 1% | 0.01 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -66.3 | -48.9 | 173.6 | -68.5 | -176.5 | 0 | 0 | 0 | 111.7 | F64 A104 M107 Y108 V124 I128 V180 R181 E185 G186 V187 | F64-L183 HydrophobicContact CE2-CD2 3.85Å; F64-L183 HydrophobicContact CZ-CD2 4.21Å; A104-L183 HydrophobicContact CB-CD1 3.41Å; A104-L183 VanDerWaalsContact CB-CD1 3.41Å; M107-L183 HydrophobicContact CG-CD2 4.48Å; M107-L183 HydrophobicContact SD-CD2 3.25Å; M107-L183 WeakPolarHBondContact SD-CD2 3.48Å; M107-L183 HydrophobicContact SD-CG 4.47Å; Y108-L183 HydrophobicContact CD2-CD1 4.13Å; Y108-L183 HydrophobicContact CE2-CD1 3.51Å; Y108-L183 HydrophobicContact CE2-CG 4.26Å; V124-L183 HydrophobicContact CG1-CD2 4.25Å; I128-L183 HydrophobicContact CD1-CD2 3.82Å; V180-L183 WeakPolarHBondContact O-CB 3.41Å; V180-L183 PolarHBondContact O-N 2.71Å; R181-L183 VanDerWaalsContact C-N 3.28Å; R181-L183 PolarHBondContact O-N 2.76Å; L183-E185 VanDerWaalsContact C-N 3.32Å; L183-E185 PolarHBondContact O-N 2.99Å; L183-G186 PolarHBondContact O-N 3.23Å; L183-V187 WeakPolarHBondContact O-CB 3.42Å; L183-V187 WeakPolarHBondContact O-CG2 3.41Å; L183-V187 PolarHBondContact O-N 2.96Å |
| 184 | E | 72.1 | Confident | 67.6 | Low | 73 Ų | 73 | 69.3 Ų | 69.3 | 34% | 0.341 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -59.9 | -43.1 | 176.6 | -74.5 | -174.2 | 137.2 | 0 | 0 | 111.2 | K100 V180 R181 G186 V187 T188 | K100-E184 WeakPolarHBondContact CD-OE1 3.39Å; K100-E184 IonicContact NZ-OE1 3.19Å; K100-E184 PolarHBondContact NZ-OE1 2.92Å; V180-E184 HydrophobicContact CG1-CG 3.76Å; V180-E184 WeakPolarHBondContact O-CB 3.15Å; V180-E184 WeakPolarHBondContact O-CG 3.35Å; V180-E184 PolarHBondContact O-N 2.9Å; R181-E184 PolarHBondContact O-N 2.84Å; E184-G186 VanDerWaalsContact C-N 3.32Å; E184-G186 PolarHBondContact O-N 3.04Å; E184-V187 PolarHBondContact O-N 3.07Å; E184-T188 VanDerWaalsContact O-CB 3.31Å; E184-T188 WeakPolarHBondContact O-CB 3.25Å; E184-T188 PolarHBondContact O-N 3.29Å; E184-T188 PolarHBondContact O-OG1 3.39Å |
| 185 | E | 71.5 | Confident | 66.6 | Low | 65 Ų | 65 | 66.3 Ų | 66.3 | 30% | 0.304 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -63.3 | -35.7 | 176.6 | -74.9 | 175.8 | -179.6 | 0 | 0 | 112.2 | I132 R181 L183 | I132-E185 HydrophobicContact CD1-CB 4.41Å; R181-E185 HydrophobicContact CG-CG 4.35Å; R181-E185 WeakPolarHBondContact CG-OE1 3.4Å; R181-E185 IonicContact CZ-OE1 2.76Å; R181-E185 VanDerWaalsContact CZ-OE1 3.32Å; R181-E185 IonicContact NE-OE1 3.93Å; R181-E185 PolarHBondContact NE-OE1 2.8Å; R181-E185 IonicContact NH2-OE1 2.84Å; R181-E185 PolarHBondContact NH2-OE1 3.01Å; R181-E185 WeakPolarHBondContact O-CB 3.23Å; R181-E185 VanDerWaalsContact O-CG 3.28Å; R181-E185 WeakPolarHBondContact O-CG 3.32Å; R181-E185 PolarHBondContact O-N 2.57Å; L183-E185 VanDerWaalsContact C-N 3.32Å; L183-E185 PolarHBondContact O-N 2.99Å |
| 186 | G | 63 | Low | 65.7 | Low | 1 Ų | 1 | 64.6 Ų | 64.6 | 1% | 0.01 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -75.5 | -24.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y52 M131 L182 L183 E184 | Y52-G186 VanDerWaalsContact CE1-O 3.23Å; Y52-G186 WeakPolarHBondContact CE1-O 3.4Å; Y52-G186 PolarHBondContact OH-O 2.78Å; M131-G186 VanDerWaalsContact CE-CA 3.46Å; L182-G186 PolarHBondContact O-N 3.1Å; L183-G186 PolarHBondContact O-N 3.23Å; E184-G186 VanDerWaalsContact C-N 3.32Å; E184-G186 PolarHBondContact O-N 3.04Å |
| 187 | V | 63 | Low | 64.8 | Low | 4 Ų | 4 | 66.6 Ų | 66.6 | 2% | 0.024 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -106 | -16.7 | -170.8 | -178.1 | 0 | 0 | 0 | 0 | 112 | F64 V68 F72 T92 W103 M107 L183 E184 F189 | F64-V187 HydrophobicContact CE1-CG2 3.98Å; F64-V187 HydrophobicContact CZ-CG2 3.86Å; V68-V187 HydrophobicContact CG2-CG2 4.21Å; F72-V187 HydrophobicContact CZ-CG1 4.49Å; T92-V187 HydrophobicContact CG2-CG1 3.44Å; T92-V187 VanDerWaalsContact CG2-CG1 3.44Å; W103-V187 HydrophobicContact CH2-CB 4.15Å; W103-V187 HydrophobicContact CH2-CG1 3.84Å; W103-V187 HydrophobicContact CH2-CG2 3.3Å; W103-V187 HydrophobicContact CZ2-CG1 4.26Å; W103-V187 HydrophobicContact CZ2-CG2 4.32Å; W103-V187 HydrophobicContact CZ3-CG1 4.48Å; W103-V187 HydrophobicContact CZ3-CG2 3.83Å; M107-V187 HydrophobicContact CE-CG2 4.33Å; L183-V187 WeakPolarHBondContact O-CB 3.42Å; L183-V187 WeakPolarHBondContact O-CG2 3.41Å; L183-V187 PolarHBondContact O-N 2.96Å; E184-V187 PolarHBondContact O-N 3.07Å; V187-F189 WeakPolarHBondContact O-CD2 3.08Å; V187-F189 PolarHBondContact O-N 3.31Å |
| 188 | T | 61.5 | Low | 64 | Low | 77 Ų | 77 | 59.5 Ų | 59.5 | 47% | 0.472 | 29% | 0.292 | S | S | . | . | trans | -69.1 | 86.6 | 173.6 | -56.1 | 0 | 0 | 0 | 0 | 109 | E184 A190 | E184-T188 VanDerWaalsContact O-CB 3.31Å; E184-T188 WeakPolarHBondContact O-CB 3.25Å; E184-T188 PolarHBondContact O-N 3.29Å; E184-T188 PolarHBondContact O-OG1 3.39Å; T188-A190 PolarHBondContact O-N 2.76Å; T188-A190 VanDerWaalsContact O-N 3.14Å | ||
| 189 | F | 54.9 | Low | 63.1 | Low | 63 Ų | 63 | 61.9 Ų | 61.9 | 28% | 0.276 | 30% | 0.3 | S | S | . | . | trans | -60.8 | -14.1 | 168.6 | -64 | -81.6 | 0 | 0 | 0 | 112.6 | F48 I51 Y52 L55 F72 V187 | F48-F189 HydrophobicContact CE2-CZ 4.21Å; F48-F189 AromaticContact CZ-CZ 3.92Å; F48-F189 HydrophobicContact CZ-CZ 3.92Å; I51-F189 HydrophobicContact CG2-CE1 4.42Å; Y52-F189 HydrophobicContact CD2-CE1 4.15Å; Y52-F189 AromaticContact CE2-CE1 3.4Å; Y52-F189 HydrophobicContact CE2-CE1 3.4Å; Y52-F189 AromaticContact CE2-CZ 3.46Å; Y52-F189 HydrophobicContact CE2-CZ 3.46Å; Y52-F189 VanDerWaalsContact CE2-CZ 3.46Å; Y52-F189 AromaticContact CZ-CE1 3.7Å; Y52-F189 AromaticContact CZ-CZ 3.67Å; Y52-F189 VanDerWaalsContact OH-CZ 3.25Å; Y52-F189 WeakPolarHBondContact OH-CZ 3.05Å; L55-F189 HydrophobicContact CD1-CD1 3.72Å; L55-F189 HydrophobicContact CD1-CE1 4.34Å; F72-F189 HydrophobicContact CE1-CE2 4.08Å; F72-F189 HydrophobicContact CE1-CZ 4.4Å; F72-F189 HydrophobicContact CZ-CE2 4.18Å; V187-F189 WeakPolarHBondContact O-CD2 3.08Å; V187-F189 PolarHBondContact O-N 3.31Å | ||
| 190 | A | 37.6 | Very low | 62.3 | Low | 56 Ų | 56 | 67 Ų | 67 | 46% | 0.463 | 32% | 0.324 | S | S | . | . | trans | -126.7 | 77.7 | -154.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | T188 | T188-A190 PolarHBondContact O-N 2.76Å; T188-A190 VanDerWaalsContact O-N 3.14Å | ||
| 191 | K | 35.4 | Very low | 61.3 | Low | 274 Ų | 274 | 71.1 Ų | 71.1 | 100% | 1.191 | 34% | 0.342 | S | S | * | . | trans | -142.7 | 0 | 141.6 | -77.1 | -160.2 | 179 | 176.3 | 0 | 110.8 |
Retrieved 191 of 191 residues in 69.5 ms
(Link to these results)