| 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 | 44.1 | Very low | 74.1 | Confident | 215 Ų | 215 | 90.5 Ų | 90.5 | 100% | 1.059 | 44% | 0.439 | S | S | * | . | 0 | 149.3 | 0 | -62.8 | 173.9 | -176.5 | 0 | 0 | 109 | |||||
| 2 | N | 60 | Low | 74.9 | Confident | 136 Ų | 136 | 88.9 Ų | 88.9 | 73% | 0.727 | 43% | 0.428 | S | S | * | . | trans | -87.6 | 129.9 | 174.3 | -71.2 | -0.2 | 0 | 0 | 0 | 108.8 | D7 | N2-D7 WeakPolarHBondContact CB-OD2 3.31Š| ||
| 3 | H | 66.1 | Low | 76 | Confident | 65 Ų | 65 | 83.5 Ų | 83.5 | 30% | 0.301 | 40% | 0.404 | S | S | . | . | trans | -128.3 | 126.6 | 179.6 | 178.8 | -87.1 | 0 | 0 | 0 | 107.8 | K5 L6 D7 L57 | H3-K5 PolarHBondContact ND1-N 2.78Å; H3-K5 PolarHBondContact O-N 3.3Å; H3-L6 HydrophobicContact CB-CD1 4.32Å; H3-L6 HydrophobicContact CB-CG 4.48Å; H3-L6 WeakPolarHBondContact O-CA 3.1Å; H3-L6 WeakPolarHBondContact O-CB 3.38Å; H3-L6 PolarHBondContact O-N 3.46Å; H3-D7 VanDerWaalsContact C-OD2 3.26Å; H3-D7 PolarHBondContact N-OD2 3.02Å; H3-D7 PolarHBondContact O-N 3.35Å; H3-D7 VanDerWaalsContact O-OD2 3.13Å; H3-L57 HydrophobicContact CB-CD2 4.46Å | ||
| 4 | P | 74.3 | Confident | 77.1 | Confident | 102 Ų | 102 | 82.7 Ų | 82.7 | 66% | 0.662 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -60.1 | -29.6 | -163.5 | 20.3 | -33.1 | 0 | 0 | 0 | 114.2 | D7 Y8 | P4-D7 PolarHBondContact O-N 3.4Å; P4-Y8 PolarHBondContact O-N 2.88Å |
| 5 | K | 70.5 | Confident | 77.8 | Confident | 90 Ų | 90 | 85 Ų | 85 | 39% | 0.391 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -62.5 | -41.9 | 170.7 | -69.5 | -170 | 179.1 | -173.6 | 0 | 112.8 | H3 L9 L57 I61 | H3-K5 PolarHBondContact ND1-N 2.78Å; H3-K5 PolarHBondContact O-N 3.3Å; K5-L9 PolarHBondContact O-N 3.09Å; K5-L57 PolarHBondContact NZ-O 2.85Å; K5-I61 HydrophobicContact CB-CG1 3.91Å; K5-I61 HydrophobicContact CD-CG1 4.26Å |
| 6 | L | 78 | Confident | 78.5 | Confident | 6 Ų | 6 | 85.4 Ų | 85.4 | 3% | 0.031 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -73 | -35.4 | 178.2 | -63.7 | 177.6 | 0 | 0 | 0 | 110.7 | H3 Y8 L9 R10 I55 L57 L87 N90 | H3-L6 HydrophobicContact CB-CD1 4.32Å; H3-L6 HydrophobicContact CB-CG 4.48Å; H3-L6 WeakPolarHBondContact O-CA 3.1Å; H3-L6 WeakPolarHBondContact O-CB 3.38Å; H3-L6 PolarHBondContact O-N 3.46Å; L6-Y8 VanDerWaalsContact C-N 3.31Å; L6-Y8 PolarHBondContact O-N 3.23Å; L6-L9 CarbonylContact O-C 3.58Å; L6-L9 WeakPolarHBondContact O-CA 3.3Å; L6-L9 WeakPolarHBondContact O-CB 3.45Å; L6-L9 PolarHBondContact O-N 3.2Å; L6-L9 VanDerWaalsContact O-N 3.08Å; L6-R10 WeakPolarHBondContact O-CG 3.28Å; L6-R10 PolarHBondContact O-N 2.9Å; L6-I55 HydrophobicContact CD2-CG2 4.07Å; L6-L57 HydrophobicContact CD1-CD2 4.17Å; L6-L57 HydrophobicContact CG-CD2 4.27Å; L6-L87 HydrophobicContact CB-CD2 4.37Å; L6-L87 HydrophobicContact CD2-CD2 4.46Å; L6-N90 WeakPolarHBondContact CD1-OD1 3.33Å |
| 7 | D | 82.1 | Confident | 79.1 | Confident | 44 Ų | 44 | 82.5 Ų | 82.5 | 24% | 0.235 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -71.1 | -26.9 | 177.2 | -56.4 | -45.4 | 0 | 0 | 0 | 112.4 | N2 H3 P4 R10 Q11 | N2-D7 WeakPolarHBondContact CB-OD2 3.31Å; H3-D7 VanDerWaalsContact C-OD2 3.26Å; H3-D7 PolarHBondContact N-OD2 3.02Å; H3-D7 PolarHBondContact O-N 3.35Å; H3-D7 VanDerWaalsContact O-OD2 3.13Å; P4-D7 PolarHBondContact O-N 3.4Å; D7-R10 IonicContact OD1-NE 2.92Å; D7-R10 PolarHBondContact OD1-NE 2.69Å; D7-Q11 PolarHBondContact O-NE2 2.97Å |
| 8 | Y | 83.3 | Confident | 79.7 | Confident | 92 Ų | 92 | 77.9 Ų | 77.9 | 36% | 0.361 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -65 | -46.4 | 163.3 | -177.7 | -105.8 | 0 | 0 | 0 | 111.5 | P4 L6 R10 Q11 F12 I61 R62 C65 | P4-Y8 PolarHBondContact O-N 2.88Å; L6-Y8 VanDerWaalsContact C-N 3.31Å; L6-Y8 PolarHBondContact O-N 3.23Å; Y8-R10 VanDerWaalsContact C-N 3.27Å; Y8-R10 PolarHBondContact O-N 2.9Å; Y8-Q11 WeakPolarHBondContact O-CB 3.39Å; Y8-Q11 PolarHBondContact O-N 3.47Å; Y8-Q11 VanDerWaalsContact O-N 3.12Å; Y8-F12 HydrophobicContact CD1-CE2 4.34Å; Y8-F12 HydrophobicContact CD2-CE2 4.35Å; Y8-F12 AromaticContact CE1-CE2 3.87Å; Y8-F12 HydrophobicContact CE1-CE2 3.87Å; Y8-F12 HydrophobicContact CE1-CZ 4.48Å; Y8-F12 AromaticContact CE2-CE2 3.89Å; Y8-F12 HydrophobicContact CE2-CE2 3.89Å; Y8-F12 HydrophobicContact CE2-CZ 4.38Å; Y8-F12 AromaticContact CZ-CE2 3.63Å; Y8-F12 AromaticContact CZ-CZ 3.97Å; Y8-F12 WeakPolarHBondContact O-CD2 3.41Å; Y8-I61 HydrophobicContact CD1-CG2 4.1Å; Y8-R62 HydrophobicContact CE1-CG 4.23Å; Y8-C65 HydrophobicContact CE1-CB 4.3Å |
| 9 | L | 84.1 | Confident | 80.3 | Confident | 0 Ų | 0 | 80.2 Ų | 80.2 | 0% | 0 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -60.3 | -35.1 | 175.6 | -174.7 | 56.6 | 0 | 0 | 0 | 112.5 | K5 L6 Q11 F12 I55 I61 I64 I68 L87 | K5-L9 PolarHBondContact O-N 3.09Å; L6-L9 CarbonylContact O-C 3.58Å; L6-L9 WeakPolarHBondContact O-CA 3.3Å; L6-L9 WeakPolarHBondContact O-CB 3.45Å; L6-L9 PolarHBondContact O-N 3.2Å; L6-L9 VanDerWaalsContact O-N 3.08Å; L9-Q11 PolarHBondContact O-N 3.46Å; L9-Q11 VanDerWaalsContact O-N 3.14Å; L9-F12 PolarHBondContact O-N 3.14Å; L9-I55 HydrophobicContact CD2-CG1 4.45Å; L9-I61 HydrophobicContact CB-CG2 3.74Å; L9-I61 HydrophobicContact CD1-CG2 4.31Å; L9-I61 HydrophobicContact CG-CG2 4.41Å; L9-I64 HydrophobicContact CD1-CG2 3.93Å; L9-I64 HydrophobicContact CD2-CG2 4.48Å; L9-I68 HydrophobicContact CD1-CD1 3.77Å; L9-L87 HydrophobicContact CB-CD2 4.19Å; L9-L87 HydrophobicContact CD2-CD1 3.96Å; L9-L87 HydrophobicContact CD2-CD2 3.97Å; L9-L87 HydrophobicContact CG-CD2 4.09Å |
| 10 | R | 86.8 | Confident | 80.9 | Confident | 103 Ų | 103 | 82.8 Ų | 82.8 | 39% | 0.389 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -56.4 | -26.2 | 175.7 | -74 | -175 | -168.5 | -63.7 | -2.5 | 113.5 | L6 D7 Y8 F12 L87 | L6-R10 WeakPolarHBondContact O-CG 3.28Å; L6-R10 PolarHBondContact O-N 2.9Å; D7-R10 IonicContact OD1-NE 2.92Å; D7-R10 PolarHBondContact OD1-NE 2.69Å; Y8-R10 VanDerWaalsContact C-N 3.27Å; Y8-R10 PolarHBondContact O-N 2.9Å; R10-F12 VanDerWaalsContact C-N 3.28Å; R10-F12 PolarHBondContact O-N 3.21Å; R10-L87 HydrophobicContact CG-CD2 3.96Å; R10-L87 PolarHBondContact NH1-O 2.81Å; R10-L87 VanDerWaalsContact NH1-O 3.15Å |
| 11 | Q | 85.3 | Confident | 81.5 | Confident | 143 Ų | 143 | 80.4 Ų | 80.4 | 67% | 0.668 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -17.7 | 179.1 | -59.6 | 168.4 | 26 | 0 | 0 | 113.2 | D7 Y8 L9 | D7-Q11 PolarHBondContact O-NE2 2.97Å; Y8-Q11 WeakPolarHBondContact O-CB 3.39Å; Y8-Q11 PolarHBondContact O-N 3.47Å; Y8-Q11 VanDerWaalsContact O-N 3.12Å; L9-Q11 PolarHBondContact O-N 3.46Å; L9-Q11 VanDerWaalsContact O-N 3.14Å |
| 12 | F | 83.6 | Confident | 83.9 | Confident | 71 Ų | 71 | 70.4 Ų | 70.4 | 31% | 0.311 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.5 | -5.7 | -176.6 | -65.3 | -94.6 | 0 | 0 | 0 | 113.9 | Y8 L9 R10 C65 | Y8-F12 HydrophobicContact CD1-CE2 4.34Å; Y8-F12 HydrophobicContact CD2-CE2 4.35Å; Y8-F12 AromaticContact CE1-CE2 3.87Å; Y8-F12 HydrophobicContact CE1-CE2 3.87Å; Y8-F12 HydrophobicContact CE1-CZ 4.48Å; Y8-F12 AromaticContact CE2-CE2 3.89Å; Y8-F12 HydrophobicContact CE2-CE2 3.89Å; Y8-F12 HydrophobicContact CE2-CZ 4.38Å; Y8-F12 AromaticContact CZ-CE2 3.63Å; Y8-F12 AromaticContact CZ-CZ 3.97Å; Y8-F12 WeakPolarHBondContact O-CD2 3.41Å; L9-F12 PolarHBondContact O-N 3.14Å; R10-F12 VanDerWaalsContact C-N 3.28Å; R10-F12 PolarHBondContact O-N 3.21Å; F12-C65 HydrophobicContact CD1-CB 4.16Å; F12-C65 HydrophobicContact CD2-CB 3.98Å; F12-C65 WeakPolarHBondContact CD2-SG 3.34Å; F12-C65 HydrophobicContact CE1-CB 4.33Å; F12-C65 HydrophobicContact CE2-CB 4.17Å; F12-C65 HydrophobicContact CG-CB 3.99Å; F12-C65 HydrophobicContact CZ-CB 4.34Å |
| 13 | V | 89.8 | Confident | 85.6 | Confident | 19 Ų | 19 | 70.1 Ų | 70.1 | 12% | 0.115 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -114.8 | 165.3 | -178.9 | -59.9 | 0 | 0 | 0 | 0 | 111 | I68 S85 L87 L92 | V13-I68 HydrophobicContact CG1-CD1 4.04Å; V13-S85 WeakPolarHBondContact CB-O 3.24Å; V13-L87 HydrophobicContact CG2-CB 3.93Å; V13-L92 HydrophobicContact CG1-CD1 3.92Å |
| 14 | K | 91.7 | Very high | 86.9 | Confident | 72 Ų | 72 | 70 Ų | 70 | 31% | 0.313 | 34% | 0.339 | S | S | . | . | B | Isolated β-bridge | trans | -71 | 145.5 | 168 | -75.7 | 173.8 | 164.7 | -163.8 | 0 | 110.7 | E21 S85 Y86 | K14-E21 IonicContact NZ-OE1 3.56Å; K14-E21 PolarHBondContact NZ-OE1 3.11Å; K14-E21 IonicContact NZ-OE2 3.97Å; K14-E21 PolarHBondContact NZ-OE2 3.24Å; K14-S85 PolarHBondContact N-O 2.81Å; K14-Y86 HydrophobicContact CB-CD1 3.68Å; K14-Y86 HydrophobicContact CB-CE1 3.62Å; K14-Y86 HydrophobicContact CB-CG 4.47Å; K14-Y86 HydrophobicContact CD-CD1 4.25Å; K14-Y86 HydrophobicContact CD-CE1 3.36Å; K14-Y86 HydrophobicContact CD-CE2 4.42Å; K14-Y86 VanDerWaalsContact CD-CZ 3.43Å; K14-Y86 WeakPolarHBondContact CD-OH 3.42Å; K14-Y86 HydrophobicContact CG-CE1 4.17Å; K14-Y86 PolarHBondContact NZ-OH 2.85Å |
| 15 | P | 87.8 | Confident | 87.7 | Confident | 117 Ų | 117 | 69.4 Ų | 69.4 | 76% | 0.76 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -82 | -21.1 | -178.6 | 32.3 | -35.6 | 0 | 0 | 0 | 114.2 | ||
| 16 | N | 88.2 | Confident | 88.7 | Confident | 91 Ų | 91 | 67.1 Ų | 67.1 | 49% | 0.487 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -65.6 | 158.8 | -176.6 | -60.6 | 4.4 | 0 | 0 | 0 | 111.8 | Y86 | N16-Y86 WeakPolarHBondContact O-CD1 3.22Š|
| 17 | D | 88.3 | Confident | 89.2 | Confident | 36 Ų | 36 | 71.4 Ų | 71.4 | 19% | 0.193 | 36% | 0.356 | C | S | . | . | trans | -72.1 | 127.2 | 168.3 | -162.9 | -59.9 | 0 | 0 | 0 | 109.6 | K19 E20 R88 | D17-K19 PolarHBondContact O-N 2.9Å; D17-K19 VanDerWaalsContact O-N 3.1Å; D17-K19 VanDerWaalsContact OD1-CB 3.28Å; D17-K19 WeakPolarHBondContact OD1-CB 3.49Å; D17-K19 WeakPolarHBondContact OD1-CG 3.44Å; D17-K19 PolarHBondContact OD1-N 3.47Å; D17-E20 HydrophobicContact CB-CG 4.4Å; D17-E20 PolarHBondContact O-N 2.68Å; D17-R88 WeakPolarHBondContact OD2-CD 3.37Å; D17-R88 IonicContact OD2-CZ 3.09Å; D17-R88 IonicContact OD2-NE 3.47Å; D17-R88 PolarHBondContact OD2-NE 3.28Å; D17-R88 IonicContact OD2-NH2 3.45Å | ||
| 18 | P | 91.3 | Very high | 89.5 | Confident | 1 Ų | 1 | 72.5 Ų | 72.5 | 1% | 0.006 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -60.5 | -21.6 | -179.8 | 23.2 | -33.3 | 0 | 0 | 0 | 113.1 | E20 E21 Y22 Y86 W93 | P18-E20 PolarHBondContact O-N 3.46Å; P18-E21 PolarHBondContact O-N 3.26Å; P18-Y22 WeakPolarHBondContact O-CD2 3.37Å; P18-Y22 PolarHBondContact O-N 3.15Å; P18-Y86 HydrophobicContact CB-CD1 4.11Å; P18-Y86 HydrophobicContact CB-CD2 3.88Å; P18-Y86 HydrophobicContact CB-CE2 4.44Å; P18-Y86 HydrophobicContact CB-CG 3.75Å; P18-Y86 HydrophobicContact CG-CG 4.26Å; P18-W93 HydrophobicContact CB-CD2 3.95Å; P18-W93 HydrophobicContact CB-CE3 3.52Å; P18-W93 HydrophobicContact CB-CG 4.38Å; P18-W93 HydrophobicContact CB-CZ3 4.05Å; P18-W93 HydrophobicContact CG-CB 4.43Å; P18-W93 HydrophobicContact CG-CD2 3.48Å; P18-W93 VanDerWaalsContact CG-CD2 3.48Å; P18-W93 HydrophobicContact CG-CE3 3.53Å; P18-W93 HydrophobicContact CG-CG 3.88Å; P18-W93 HydrophobicContact CG-CH2 4.45Å; P18-W93 HydrophobicContact CG-CZ2 4.39Å; P18-W93 HydrophobicContact CG-CZ3 4.03Å |
| 19 | K | 90.9 | Very high | 89 | Confident | 121 Ų | 121 | 69.9 Ų | 69.9 | 53% | 0.526 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -66.8 | -17.5 | 175.5 | -64.1 | 174.3 | -178.9 | 175.4 | 0 | 113.2 | D17 Y22 R42 | D17-K19 PolarHBondContact O-N 2.9Å; D17-K19 VanDerWaalsContact O-N 3.1Å; D17-K19 VanDerWaalsContact OD1-CB 3.28Å; D17-K19 WeakPolarHBondContact OD1-CB 3.49Å; D17-K19 WeakPolarHBondContact OD1-CG 3.44Å; D17-K19 PolarHBondContact OD1-N 3.47Å; K19-Y22 CarbonylContact C-O 3.59Å; K19-R42 PolarHBondContact O-NE 3.11Å; K19-R42 PolarHBondContact O-NH2 3.26Å |
| 20 | E | 91.6 | Very high | 88.3 | Confident | 132 Ų | 132 | 73.7 Ų | 73.7 | 62% | 0.617 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -82.9 | -31.3 | 176 | -61.6 | -50.1 | 137 | 0 | 0 | 113 | D17 P18 R42 | D17-E20 HydrophobicContact CB-CG 4.4Å; D17-E20 PolarHBondContact O-N 2.68Å; P18-E20 PolarHBondContact O-N 3.46Å; E20-R42 WeakPolarHBondContact O-CD 3.17Å |
| 21 | E | 92.9 | Very high | 87.2 | Confident | 32 Ų | 32 | 71 Ų | 71 | 15% | 0.15 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -87.7 | -30.9 | 173.9 | -73.9 | -172.7 | -129.8 | 0 | 0 | 112.3 | K14 P18 H41 R42 Y86 | K14-E21 IonicContact NZ-OE1 3.56Å; K14-E21 PolarHBondContact NZ-OE1 3.11Å; K14-E21 IonicContact NZ-OE2 3.97Å; K14-E21 PolarHBondContact NZ-OE2 3.24Å; P18-E21 PolarHBondContact O-N 3.26Å; E21-H41 CarbonylContact O-C 3.56Å; E21-H41 IonicContact OE2-NE2 2.62Å; E21-R42 PolarHBondContact O-N 3.33Å; E21-Y86 PolarHBondContact OE1-OH 2.82Å; E21-Y86 PolarHBondContact OE2-OH 2.87Å |
| 22 | Y | 95 | Very high | 85.8 | Confident | 5 Ų | 5 | 70 Ų | 70 | 2% | 0.02 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 148 | -171.8 | -55.6 | -82.8 | 0 | 0 | 0 | 113.7 | P18 K19 V40 H41 R42 V48 Y86 C95 | P18-Y22 WeakPolarHBondContact O-CD2 3.37Å; P18-Y22 PolarHBondContact O-N 3.15Å; K19-Y22 CarbonylContact C-O 3.59Å; Y22-V40 CarbonylContact C-O 3.58Å; Y22-V40 WeakPolarHBondContact CA-O 3.24Å; Y22-H41 HydrophobicContact CD1-CB 4.09Å; Y22-H41 HydrophobicContact CE1-CB 3.89Å; Y22-H41 AromaticContact CE1-CD2 3.46Å; Y22-H41 VanDerWaalsContact CE1-CD2 3.46Å; Y22-H41 WeakPolarHBondContact CE1-CD2 3.23Å; Y22-H41 AromaticContact CE1-CG 3.93Å; Y22-H41 AromaticContact CZ-CD2 3.67Å; Y22-H41 PolarHBondContact OH-CD2 2.82Å; Y22-R42 PolarHBondContact O-NE 2.88Å; Y22-V48 HydrophobicContact CD1-CG1 4.48Å; Y22-V48 HydrophobicContact CD1-CG2 3.5Å; Y22-V48 HydrophobicContact CE1-CB 4.42Å; Y22-V48 HydrophobicContact CE1-CG1 4.07Å; Y22-V48 HydrophobicContact CE1-CG2 3.74Å; Y22-Y86 AromaticContact CE2-CE2 3.89Å; Y22-Y86 HydrophobicContact CE2-CE2 3.89Å; Y22-Y86 AromaticContact CE2-CZ 3.83Å; Y22-Y86 WeakPolarHBondContact CE2-OH 3.49Å; Y22-C95 HydrophobicContact CE1-CB 4.29Å; Y22-C95 HydrophobicContact CE2-CB 4.13Å; Y22-C95 VanDerWaalsContact CE2-SG 3.59Å |
| 23 | K | 95 | Very high | 84.8 | Confident | 130 Ų | 130 | 70.4 Ų | 70.4 | 57% | 0.565 | 40% | 0.397 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 111.2 | 166.3 | -179.9 | 177.6 | 178 | 179.2 | 0 | 109.2 | L25 A39 V40 R42 | K23-L25 HydrophobicContact CG-CD2 4.46Å; K23-A39 CarbonylContact O-C 3.6Å; K23-A39 WeakPolarHBondContact O-CA 3.21Å; K23-A39 VanDerWaalsContact O-CB 3.31Å; K23-A39 WeakPolarHBondContact O-CB 3.43Å; K23-V40 PolarHBondContact N-O 3.35Å; K23-V40 PolarHBondContact O-N 3.48Å; K23-R42 HydrophobicContact CB-CG 4.41Å |
| 24 | I | 93.9 | Very high | 84 | Confident | 62 Ų | 62 | 70.4 Ų | 70.4 | 32% | 0.318 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.7 | 138.8 | 169.9 | -59.3 | -68.3 | 0 | 0 | 0 | 109.3 | F37 A39 V50 W93 | I24-F37 HydrophobicContact CD1-CB 3.79Å; I24-F37 HydrophobicContact CD1-CG 4.18Å; I24-F37 HydrophobicContact CG2-CB 4.14Å; I24-F37 HydrophobicContact CG2-CD1 3.93Å; I24-F37 HydrophobicContact CG2-CG 4.23Å; I24-A39 HydrophobicContact CD1-CB 4.23Å; I24-V50 HydrophobicContact CD1-CB 4.28Å; I24-V50 HydrophobicContact CD1-CG1 4.39Å; I24-V50 HydrophobicContact CD1-CG2 4.44Å; I24-W93 HydrophobicContact CD1-CH2 4.29Å; I24-W93 HydrophobicContact CD1-CZ3 3.9Å; I24-W93 HydrophobicContact CG1-CH2 4.28Å; I24-W93 HydrophobicContact CG1-CZ3 4.23Å |
| 25 | L | 92.4 | Very high | 83.6 | Confident | 90 Ų | 90 | 70.9 Ų | 70.9 | 47% | 0.471 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | -50.2 | 177.1 | -61.7 | -173.6 | 0 | 0 | 0 | 112.7 | K23 K38 V40 L47 | K23-L25 HydrophobicContact CG-CD2 4.46Å; L25-K38 WeakPolarHBondContact CB-O 3.33Å; L25-K38 PolarHBondContact N-O 3.47Å; L25-V40 HydrophobicContact CD1-CG2 3.8Å; L25-V40 HydrophobicContact CG-CG2 4.32Å; L25-L47 HydrophobicContact CD1-CD2 4.14Å |
| 26 | A | 91 | Very high | 83.7 | Confident | 42 Ų | 42 | 67 Ų | 67 | 35% | 0.347 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.5 | 152.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | F37 K38 | A26-F37 CarbonylContact O-C 3.5Å; A26-F37 WeakPolarHBondContact O-CA 3.48Å; A26-K38 PolarHBondContact N-O 3.02Å; A26-K38 PolarHBondContact O-N 2.66Å |
| 27 | P | 89.2 | Confident | 83.9 | Confident | 97 Ų | 97 | 65 Ų | 65 | 63% | 0.63 | 37% | 0.368 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 147.6 | 162.7 | 30.1 | -34.7 | 0 | 0 | 0 | 110.2 | F37 | P27-F37 HydrophobicContact CB-CD1 4.13Å; P27-F37 HydrophobicContact CB-CE1 4.1Å |
| 28 | I | 86.8 | Confident | 84.3 | Confident | 67 Ų | 67 | 65.8 Ų | 65.8 | 34% | 0.344 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | -9.8 | 177.1 | 56.8 | 174.1 | 0 | 0 | 0 | 114.1 | V36 K38 A49 Y98 | I28-V36 HydrophobicContact CD1-CG1 4.01Å; I28-V36 HydrophobicContact CG1-CB 4.26Å; I28-V36 HydrophobicContact CG1-CG1 3.92Å; I28-V36 VanDerWaalsContact CG1-O 3.28Å; I28-V36 WeakPolarHBondContact CG1-O 3.22Å; I28-V36 PolarHBondContact N-O 3.43Å; I28-K38 HydrophobicContact CD1-CB 4.27Å; I28-K38 HydrophobicContact CG2-CB 3.65Å; I28-A49 HydrophobicContact CD1-CB 4.46Å; I28-Y98 HydrophobicContact CD1-CD2 4.12Å; I28-Y98 HydrophobicContact CD1-CE2 3.84Å |
| 29 | G | 74.2 | Confident | 84.6 | Confident | 36 Ų | 36 | 65.8 Ų | 65.8 | 37% | 0.371 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -177.6 | 161.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | V36 | G29-V36 PolarHBondContact N-O 2.86Å; G29-V36 PolarHBondContact O-N 2.87Å |
| 30 | S | 69.6 | Low | 84.8 | Confident | 81 Ų | 81 | 61.7 Ų | 61.7 | 57% | 0.566 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 126.8 | 177.8 | 53 | 0 | 0 | 0 | 0 | 108.6 | ||
| 31 | G | 63.2 | Low | 85 | Confident | 47 Ų | 47 | 55.6 Ų | 55.6 | 49% | 0.485 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 172.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y33 G34 | G31-Y33 PolarHBondContact O-N 3.47Å; G31-G34 PolarHBondContact N-O 2.9Å; G31-G34 PolarHBondContact O-N 2.94Å |
| 32 | T | 56.5 | Low | 85 | Confident | 122 Ų | 122 | 60.1 Ų | 60.1 | 75% | 0.748 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -5.5 | 178.7 | 39.8 | 0 | 0 | 0 | 0 | 115.3 | ||
| 33 | Y | 62.6 | Low | 84.9 | Confident | 79 Ų | 79 | 66.5 Ų | 66.5 | 31% | 0.31 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.7 | -6 | 180 | -49.8 | -64.8 | 0 | 0 | 0 | 113.5 | G31 M53 A165 L168 | G31-Y33 PolarHBondContact O-N 3.47Å; Y33-M53 WeakPolarHBondContact O-CA 3.29Å; Y33-M53 WeakPolarHBondContact O-CB 3.29Å; Y33-M53 WeakPolarHBondContact O-CG 3.24Å; Y33-A165 HydrophobicContact CD2-CB 4.06Å; Y33-A165 HydrophobicContact CE1-CB 4.16Å; Y33-A165 HydrophobicContact CE2-CB 3.24Å; Y33-A165 WeakPolarHBondContact OH-CB 3.45Å; Y33-A165 PolarHBondContact OH-O 2.82Å; Y33-L168 HydrophobicContact CD1-CD1 4.47Å |
| 34 | G | 71.7 | Confident | 84.8 | Confident | 18 Ų | 18 | 67.3 Ų | 67.3 | 19% | 0.186 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 140.8 | -177.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | G31 V52 | G31-G34 PolarHBondContact N-O 2.9Å; G31-G34 PolarHBondContact O-N 2.94Å; G34-V52 WeakPolarHBondContact CA-O 3.28Å |
| 35 | D | 83.4 | Confident | 84.7 | Confident | 82 Ų | 82 | 74.3 Ų | 74.3 | 44% | 0.439 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 147.3 | -172 | -57.5 | -56.4 | 0 | 0 | 0 | 112.2 | F37 K51 V52 | D35-F37 HydrophobicContact CB-CD2 4.43Å; D35-F37 HydrophobicContact CB-CE2 3.58Å; D35-F37 HydrophobicContact CB-CZ 3.84Å; D35-K51 CarbonylContact O-C 3.53Å; D35-K51 WeakPolarHBondContact O-CA 2.46Å; D35-V52 PolarHBondContact N-O 2.04Å; D35-V52 VanDerWaalsContact N-O 3.13Å; D35-V52 PolarHBondContact O-N 3.48Å |
| 36 | V | 89.8 | Confident | 84.8 | Confident | 35 Ų | 35 | 73.1 Ų | 73.1 | 21% | 0.212 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 125.1 | 177.3 | -169.6 | 0 | 0 | 0 | 0 | 109.6 | I28 G29 A49 V50 K51 | I28-V36 HydrophobicContact CD1-CG1 4.01Å; I28-V36 HydrophobicContact CG1-CB 4.26Å; I28-V36 HydrophobicContact CG1-CG1 3.92Å; I28-V36 VanDerWaalsContact CG1-O 3.28Å; I28-V36 WeakPolarHBondContact CG1-O 3.22Å; I28-V36 PolarHBondContact N-O 3.43Å; G29-V36 PolarHBondContact N-O 2.86Å; G29-V36 PolarHBondContact O-N 2.87Å; V36-A49 HydrophobicContact CG1-CB 4.29Å; V36-V50 WeakPolarHBondContact CA-O 3.48Å; V36-K51 HydrophobicContact CG2-CB 4.38Å; V36-K51 HydrophobicContact CG2-CG 4.12Å |
| 37 | F | 93.6 | Very high | 85 | Confident | 51 Ų | 51 | 74.4 Ų | 74.4 | 22% | 0.224 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 142.7 | -179.5 | -59.9 | -90.1 | 0 | 0 | 0 | 111.7 | I24 A26 P27 D35 A49 V50 V52 | I24-F37 HydrophobicContact CD1-CB 3.79Å; I24-F37 HydrophobicContact CD1-CG 4.18Å; I24-F37 HydrophobicContact CG2-CB 4.14Å; I24-F37 HydrophobicContact CG2-CD1 3.93Å; I24-F37 HydrophobicContact CG2-CG 4.23Å; A26-F37 CarbonylContact O-C 3.5Å; A26-F37 WeakPolarHBondContact O-CA 3.48Å; P27-F37 HydrophobicContact CB-CD1 4.13Å; P27-F37 HydrophobicContact CB-CE1 4.1Å; D35-F37 HydrophobicContact CB-CD2 4.43Å; D35-F37 HydrophobicContact CB-CE2 3.58Å; D35-F37 HydrophobicContact CB-CZ 3.84Å; F37-A49 CarbonylContact O-C 3.59Å; F37-A49 WeakPolarHBondContact O-CA 3.08Å; F37-V50 PolarHBondContact N-O 2.74Å; F37-V50 PolarHBondContact O-N 2.93Å; F37-V52 HydrophobicContact CD2-CG2 3.9Å; F37-V52 HydrophobicContact CE2-CB 4.18Å; F37-V52 HydrophobicContact CE2-CG2 3.95Å |
| 38 | K | 95.7 | Very high | 85.4 | Confident | 52 Ų | 52 | 69.8 Ų | 69.8 | 23% | 0.226 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 131.6 | 161.6 | -175 | 171.5 | -169.5 | 163.1 | 0 | 108.7 | L25 A26 I28 L47 Y98 | L25-K38 WeakPolarHBondContact CB-O 3.33Å; L25-K38 PolarHBondContact N-O 3.47Å; A26-K38 PolarHBondContact N-O 3.02Å; A26-K38 PolarHBondContact O-N 2.66Å; I28-K38 HydrophobicContact CD1-CB 4.27Å; I28-K38 HydrophobicContact CG2-CB 3.65Å; K38-L47 HydrophobicContact CD-CD2 4.44Å; K38-L47 VanDerWaalsContact CE-CD2 3.5Å; K38-L47 HydrophobicContact CG-CD2 4.2Å; K38-Y98 HydrophobicContact CB-CD2 4.46Å; K38-Y98 HydrophobicContact CB-CE2 4.13Å; K38-Y98 HydrophobicContact CD-CD2 4.32Å; K38-Y98 HydrophobicContact CD-CE1 4.36Å; K38-Y98 HydrophobicContact CD-CE2 3.63Å; K38-Y98 HydrophobicContact CG-CD2 4Å; K38-Y98 HydrophobicContact CG-CE2 3.74Å; K38-Y98 PolarHBondContact NZ-OH 3.5Å |
| 39 | A | 96.7 | Very high | 85.7 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 170 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | K23 I24 L47 V48 V50 | K23-A39 CarbonylContact O-C 3.6Å; K23-A39 WeakPolarHBondContact O-CA 3.21Å; K23-A39 VanDerWaalsContact O-CB 3.31Å; K23-A39 WeakPolarHBondContact O-CB 3.43Å; I24-A39 HydrophobicContact CD1-CB 4.23Å; A39-L47 WeakPolarHBondContact O-CA 3.43Å; A39-V48 HydrophobicContact CB-CG2 3.8Å; A39-V48 PolarHBondContact N-O 3.42Å; A39-V48 PolarHBondContact O-N 3.24Å; A39-V50 HydrophobicContact CB-CG2 3.71Å |
| 40 | V | 96.8 | Very high | 86.6 | Confident | 35 Ų | 35 | 65.3 Ų | 65.3 | 21% | 0.212 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 131.1 | 169.5 | 168.9 | 0 | 0 | 0 | 0 | 109.1 | Y22 K23 L25 R42 T46 L47 | Y22-V40 CarbonylContact C-O 3.58Å; Y22-V40 WeakPolarHBondContact CA-O 3.24Å; K23-V40 PolarHBondContact N-O 3.35Å; K23-V40 PolarHBondContact O-N 3.48Å; L25-V40 HydrophobicContact CD1-CG2 3.8Å; L25-V40 HydrophobicContact CG-CG2 4.32Å; V40-R42 PolarHBondContact O-N 2.82Å; V40-T46 WeakPolarHBondContact CA-O 3.37Å; V40-L47 HydrophobicContact CG2-CD2 3.82Å |
| 41 | H | 95.7 | Very high | 87.6 | Confident | 5 Ų | 5 | 61.9 Ų | 61.9 | 2% | 0.023 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 116.9 | 165.9 | -171.4 | -57.7 | 0 | 0 | 0 | 108.6 | E21 Y22 E43 R44 R45 T46 V48 | E21-H41 CarbonylContact O-C 3.56Å; E21-H41 IonicContact OE2-NE2 2.62Å; Y22-H41 HydrophobicContact CD1-CB 4.09Å; Y22-H41 HydrophobicContact CE1-CB 3.89Å; Y22-H41 AromaticContact CE1-CD2 3.46Å; Y22-H41 VanDerWaalsContact CE1-CD2 3.46Å; Y22-H41 WeakPolarHBondContact CE1-CD2 3.23Å; Y22-H41 AromaticContact CE1-CG 3.93Å; Y22-H41 AromaticContact CZ-CD2 3.67Å; Y22-H41 PolarHBondContact OH-CD2 2.82Å; H41-E43 IonicContact CE1-OE2 3.61Å; H41-E43 PolarHBondContact O-N 3.15Å; H41-R44 PolarHBondContact CD2-NH1 2.98Å; H41-R44 PolarHBondContact ND1-N 3.33Å; H41-R44 PolarHBondContact NE2-NH1 3.33Å; H41-R45 VanDerWaalsContact O-CA 3.25Å; H41-R45 WeakPolarHBondContact O-CA 3.37Å; H41-R45 PolarHBondContact O-N 2.91Å; H41-T46 PolarHBondContact N-O 2.97Å; H41-V48 HydrophobicContact CB-CG1 4.21Å |
| 42 | R | 93.2 | Very high | 88.9 | Confident | 127 Ų | 127 | 60.5 Ų | 60.5 | 48% | 0.479 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -47.2 | -167.1 | -73.2 | 159.5 | 168.9 | -104.3 | 21.5 | 113.4 | K19 E20 E21 Y22 K23 V40 | K19-R42 PolarHBondContact O-NE 3.11Å; K19-R42 PolarHBondContact O-NH2 3.26Å; E20-R42 WeakPolarHBondContact O-CD 3.17Å; E21-R42 PolarHBondContact O-N 3.33Å; Y22-R42 PolarHBondContact O-NE 2.88Å; K23-R42 HydrophobicContact CB-CG 4.41Å; V40-R42 PolarHBondContact O-N 2.82Å |
| 43 | E | 92.1 | Very high | 90.2 | Very high | 138 Ų | 138 | 55.3 Ų | 55.3 | 65% | 0.645 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -64.7 | 176.9 | 178.1 | -164.4 | -135.4 | 0 | 0 | 112.1 | H41 R45 | H41-E43 IonicContact CE1-OE2 3.61Å; H41-E43 PolarHBondContact O-N 3.15Å; E43-R45 PolarHBondContact O-N 2.99Å |
| 44 | R | 92.7 | Very high | 91.2 | Very high | 147 Ų | 147 | 57.4 Ų | 57.4 | 56% | 0.555 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -13.9 | -174.4 | -58.2 | -172.4 | -171.1 | 88.7 | 38.1 | 114.6 | H41 T46 | H41-R44 PolarHBondContact CD2-NH1 2.98Å; H41-R44 PolarHBondContact ND1-N 3.33Å; H41-R44 PolarHBondContact NE2-NH1 3.33Å; R44-T46 HydrophobicContact CB-CG2 4.28Å; R44-T46 PolarHBondContact O-N 3Å |
| 45 | R | 92.7 | Very high | 91.7 | Very high | 210 Ų | 210 | 57 Ų | 57 | 79% | 0.792 | 26% | 0.259 | S | S | * | . | trans | 56.4 | 13.3 | -174.4 | -56.1 | -176.3 | -179.7 | -171.5 | -0.1 | 115 | H41 E43 | H41-R45 VanDerWaalsContact O-CA 3.25Å; H41-R45 WeakPolarHBondContact O-CA 3.37Å; H41-R45 PolarHBondContact O-N 2.91Å; E43-R45 PolarHBondContact O-N 2.99Å | ||
| 46 | T | 94 | Very high | 91.4 | Very high | 65 Ų | 65 | 55 Ų | 55 | 40% | 0.399 | 25% | 0.248 | S | C | . | . | trans | -78.4 | 149 | 177 | 50.6 | 0 | 0 | 0 | 0 | 111.8 | V40 H41 R44 | V40-T46 WeakPolarHBondContact CA-O 3.37Å; H41-T46 PolarHBondContact N-O 2.97Å; R44-T46 HydrophobicContact CB-CG2 4.28Å; R44-T46 PolarHBondContact O-N 3Å | ||
| 47 | L | 95.7 | Very high | 90.6 | Very high | 69 Ų | 69 | 55.3 Ų | 55.3 | 36% | 0.361 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 137.9 | 169.3 | -71.9 | 172.9 | 0 | 0 | 0 | 110.6 | L25 K38 A39 V40 Y98 | L25-L47 HydrophobicContact CD1-CD2 4.14Å; K38-L47 HydrophobicContact CD-CD2 4.44Å; K38-L47 VanDerWaalsContact CE-CD2 3.5Å; K38-L47 HydrophobicContact CG-CD2 4.2Å; A39-L47 WeakPolarHBondContact O-CA 3.43Å; V40-L47 HydrophobicContact CG2-CD2 3.82Å; L47-Y98 HydrophobicContact CB-CD1 3.96Å; L47-Y98 HydrophobicContact CB-CG 4.08Å; L47-Y98 HydrophobicContact CD1-CD1 3.97Å; L47-Y98 HydrophobicContact CD1-CE1 4.13Å |
| 48 | V | 96.2 | Very high | 89.6 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 157.4 | 175.4 | -49.3 | 0 | 0 | 0 | 0 | 110.2 | Y22 A39 H41 V50 Y83 M96 | Y22-V48 HydrophobicContact CD1-CG1 4.48Å; Y22-V48 HydrophobicContact CD1-CG2 3.5Å; Y22-V48 HydrophobicContact CE1-CB 4.42Å; Y22-V48 HydrophobicContact CE1-CG1 4.07Å; Y22-V48 HydrophobicContact CE1-CG2 3.74Å; A39-V48 HydrophobicContact CB-CG2 3.8Å; A39-V48 PolarHBondContact N-O 3.42Å; A39-V48 PolarHBondContact O-N 3.24Å; H41-V48 HydrophobicContact CB-CG1 4.21Å; V48-V50 HydrophobicContact CG2-CG2 3.9Å; V48-Y83 HydrophobicContact CB-CD2 4.3Å; V48-Y83 HydrophobicContact CB-CE2 4.16Å; V48-Y83 HydrophobicContact CG1-CD2 3.86Å; V48-Y83 HydrophobicContact CG1-CE2 3.62Å; V48-M96 WeakPolarHBondContact CA-O 3.35Å; V48-M96 WeakPolarHBondContact CB-O 3.4Å |
| 49 | A | 94.3 | Very high | 88.3 | Confident | 8 Ų | 8 | 53.5 Ų | 53.5 | 7% | 0.066 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 143.1 | 164 | 0 | 0 | 0 | 0 | 0 | 109.7 | I28 V36 F37 C95 M96 | I28-A49 HydrophobicContact CD1-CB 4.46Å; V36-A49 HydrophobicContact CG1-CB 4.29Å; F37-A49 CarbonylContact O-C 3.59Å; F37-A49 WeakPolarHBondContact O-CA 3.08Å; A49-C95 WeakPolarHBondContact O-CA 3.49Å; A49-M96 HydrophobicContact CB-CG 3.84Å; A49-M96 PolarHBondContact N-O 2.85Å; A49-M96 PolarHBondContact O-N 2.81Å |
| 50 | V | 93.4 | Very high | 87.1 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 109.2 | -180 | -177.3 | 0 | 0 | 0 | 0 | 108.4 | I24 V36 F37 A39 V48 V52 W93 I94 | I24-V50 HydrophobicContact CD1-CB 4.28Å; I24-V50 HydrophobicContact CD1-CG1 4.39Å; I24-V50 HydrophobicContact CD1-CG2 4.44Å; V36-V50 WeakPolarHBondContact CA-O 3.48Å; F37-V50 PolarHBondContact N-O 2.74Å; F37-V50 PolarHBondContact O-N 2.93Å; A39-V50 HydrophobicContact CB-CG2 3.71Å; V48-V50 HydrophobicContact CG2-CG2 3.9Å; V50-V52 HydrophobicContact CG1-CG2 3.98Å; V50-W93 HydrophobicContact CG1-CD2 4.25Å; V50-W93 HydrophobicContact CG1-CE3 3.48Å; V50-W93 VanDerWaalsContact CG1-CE3 3.48Å; V50-W93 HydrophobicContact CG1-CZ3 4.03Å; V50-I94 WeakPolarHBondContact CA-O 3.29Å |
| 51 | K | 89.9 | Confident | 86.3 | Confident | 10 Ų | 10 | 55 Ų | 55 | 4% | 0.043 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 127.2 | 174.3 | -170.7 | 176 | -165.8 | 177.9 | 0 | 109.1 | D35 V36 M53 W93 I94 M96 D161 | D35-K51 CarbonylContact O-C 3.53Å; D35-K51 WeakPolarHBondContact O-CA 2.46Å; V36-K51 HydrophobicContact CG2-CB 4.38Å; V36-K51 HydrophobicContact CG2-CG 4.12Å; K51-M53 HydrophobicContact CD-CG 4.46Å; K51-M53 HydrophobicContact CD-SD 3.94Å; K51-M53 HydrophobicContact CG-CG 3.99Å; K51-M53 HydrophobicContact CG-SD 4.14Å; K51-W93 CarbonylContact O-C 3.56Å; K51-W93 WeakPolarHBondContact O-CA 3.41Å; K51-I94 HydrophobicContact CB-CB 4.41Å; K51-I94 PolarHBondContact N-O 3.33Å; K51-I94 PolarHBondContact O-N 2.89Å; K51-M96 HydrophobicContact CB-CE 4.07Å; K51-D161 IonicContact NZ-OD1 3.5Å; K51-D161 PolarHBondContact NZ-OD1 2.9Å; K51-D161 IonicContact NZ-OD2 3.9Å; K51-D161 PolarHBondContact NZ-OD2 2.98Å |
| 52 | V | 89.9 | Confident | 85.2 | Confident | 17 Ų | 17 | 63 Ų | 63 | 10% | 0.103 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 113.2 | -175.3 | -176.2 | 0 | 0 | 0 | 0 | 109 | G34 D35 F37 V50 K91 L92 W93 | G34-V52 WeakPolarHBondContact CA-O 3.28Å; D35-V52 PolarHBondContact N-O 2.04Å; D35-V52 VanDerWaalsContact N-O 3.13Å; D35-V52 PolarHBondContact O-N 3.48Å; F37-V52 HydrophobicContact CD2-CG2 3.9Å; F37-V52 HydrophobicContact CE2-CB 4.18Å; F37-V52 HydrophobicContact CE2-CG2 3.95Å; V50-V52 HydrophobicContact CG1-CG2 3.98Å; V52-K91 HydrophobicContact CG1-CB 3.98Å; V52-K91 HydrophobicContact CG1-CD 4.42Å; V52-K91 HydrophobicContact CG1-CG 4.4Å; V52-L92 WeakPolarHBondContact CA-O 3.26Å; V52-W93 HydrophobicContact CG2-CD2 3.88Å; V52-W93 HydrophobicContact CG2-CE3 4.23Å; V52-W93 HydrophobicContact CG2-CG 4.18Å; V52-W93 HydrophobicContact CG2-CZ2 4.37Å |
| 53 | M | 84.8 | Confident | 83.9 | Confident | 13 Ų | 13 | 57.1 Ų | 57.1 | 6% | 0.064 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 124.8 | -170.2 | -51.7 | -166.3 | -57.4 | 0 | 0 | 109.9 | Y33 K51 K91 L92 I94 | Y33-M53 WeakPolarHBondContact O-CA 3.29Å; Y33-M53 WeakPolarHBondContact O-CB 3.29Å; Y33-M53 WeakPolarHBondContact O-CG 3.24Å; K51-M53 HydrophobicContact CD-CG 4.46Å; K51-M53 HydrophobicContact CD-SD 3.94Å; K51-M53 HydrophobicContact CG-CG 3.99Å; K51-M53 HydrophobicContact CG-SD 4.14Å; M53-K91 CarbonylContact O-C 3.58Å; M53-K91 WeakPolarHBondContact O-CA 3.42Å; M53-L92 HydrophobicContact CE-CD2 3.85Å; M53-L92 HydrophobicContact CE-CG 4.41Å; M53-L92 PolarHBondContact N-O 3.5Å; M53-L92 PolarHBondContact O-N 2.9Å; M53-I94 HydrophobicContact CE-CD1 3.62Å; M53-I94 HydrophobicContact CE-CG1 4.45Å |
| 54 | K | 83.6 | Confident | 83.2 | Confident | 124 Ų | 124 | 50.7 Ų | 50.7 | 54% | 0.539 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 126.7 | 174 | -175.7 | -179.5 | 178.4 | -178.3 | 0 | 108.9 | ||
| 55 | I | 81.6 | Confident | 82.6 | Confident | 10 Ų | 10 | 43.8 Ų | 43.8 | 5% | 0.051 | 20% | 0.2 | C | C | . | . | P | Polyproline II helix | trans | -95.5 | 123.4 | 178.6 | -54.3 | -51.9 | 0 | 0 | 0 | 109.5 | L6 L9 I61 I64 N90 L92 | L6-I55 HydrophobicContact CD2-CG2 4.07Å; L9-I55 HydrophobicContact CD2-CG1 4.45Å; I55-I61 HydrophobicContact CG2-CD1 3.52Å; I55-I64 HydrophobicContact CD1-CD1 4.11Å; I55-N90 PolarHBondContact N-O 3.32Å; I55-L92 HydrophobicContact CD1-CB 3.81Å; I55-L92 HydrophobicContact CD1-CD2 4.22Å; I55-L92 HydrophobicContact CG1-CB 3.86Å |
| 56 | D | 77.6 | Confident | 81.5 | Confident | 40 Ų | 40 | 38.3 Ų | 38.3 | 21% | 0.214 | 18% | 0.183 | C | C | . | . | P | Polyproline II helix | trans | -89.7 | 144.8 | 172.4 | -173.1 | -49.2 | 0 | 0 | 0 | 109.7 | K58 D59 | D56-K58 PolarHBondContact O-N 3.16Å; D56-K58 VanDerWaalsContact O-N 3.09Å; D56-K58 WeakPolarHBondContact OD1-CB 3.41Å; D56-K58 WeakPolarHBondContact OD1-CD 3.36Å; D56-K58 WeakPolarHBondContact OD1-CG 3.42Å; D56-K58 PolarHBondContact OD1-N 2.91Å; D56-K58 IonicContact OD1-NZ 3.54Å; D56-K58 PolarHBondContact OD1-NZ 2.57Å; D56-K58 IonicContact OD2-NZ 2.69Å; D56-K58 PolarHBondContact OD2-NZ 2.8Å; D56-D59 WeakPolarHBondContact CB-OD2 3.27Å; D56-D59 PolarHBondContact N-OD2 3.45Å; D56-D59 WeakPolarHBondContact O-CB 3.33Å; D56-D59 PolarHBondContact O-N 2.75Å |
| 57 | L | 72.5 | Confident | 80.2 | Confident | 41 Ų | 41 | 36 Ų | 36 | 22% | 0.215 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -15.1 | 176.9 | -62.2 | -176.7 | 0 | 0 | 0 | 113.2 | H3 K5 L6 E607 | H3-L57 HydrophobicContact CB-CD2 4.46Å; K5-L57 PolarHBondContact NZ-O 2.85Å; L6-L57 HydrophobicContact CD1-CD2 4.17Å; L6-L57 HydrophobicContact CG-CD2 4.27Å; L57-E607 HydrophobicContact CB-CG 4.24Å; L57-E607 HydrophobicContact CD1-CG 4.15Å |
| 58 | K | 72.1 | Confident | 79.5 | Confident | 55 Ų | 55 | 32.9 Ų | 32.9 | 24% | 0.239 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80 | -21.6 | 173.6 | -59.2 | 163.7 | -150.7 | 74.7 | 0 | 113.5 | D56 E607 | D56-K58 PolarHBondContact O-N 3.16Å; D56-K58 VanDerWaalsContact O-N 3.09Å; D56-K58 WeakPolarHBondContact OD1-CB 3.41Å; D56-K58 WeakPolarHBondContact OD1-CD 3.36Å; D56-K58 WeakPolarHBondContact OD1-CG 3.42Å; D56-K58 PolarHBondContact OD1-N 2.91Å; D56-K58 IonicContact OD1-NZ 3.54Å; D56-K58 PolarHBondContact OD1-NZ 2.57Å; D56-K58 IonicContact OD2-NZ 2.69Å; D56-K58 PolarHBondContact OD2-NZ 2.8Å; K58-E607 WeakPolarHBondContact CE-OE1 3.14Å; K58-E607 VanDerWaalsContact NZ-CD 3.27Å; K58-E607 IonicContact NZ-OE1 3.58Å; K58-E607 PolarHBondContact NZ-OE1 2.93Å; K58-E607 IonicContact NZ-OE2 2.73Å; K58-E607 PolarHBondContact NZ-OE2 3.14Å |
| 59 | D | 68.7 | Low | 78.7 | Confident | 9 Ų | 9 | 36.6 Ų | 36.6 | 5% | 0.048 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -68.4 | 151.7 | -175.9 | -68.6 | -40.4 | 0 | 0 | 0 | 112 | D56 I61 I64 L168 K174 | D56-D59 WeakPolarHBondContact CB-OD2 3.27Å; D56-D59 PolarHBondContact N-OD2 3.45Å; D56-D59 WeakPolarHBondContact O-CB 3.33Å; D56-D59 PolarHBondContact O-N 2.75Å; D59-I61 PolarHBondContact O-N 3.06Å; D59-I61 VanDerWaalsContact O-N 3.11Å; D59-I64 HydrophobicContact CB-CD1 4.17Å; D59-L168 HydrophobicContact CB-CD2 4.01Å; D59-K174 IonicContact OD1-NZ 2.77Å; D59-K174 PolarHBondContact OD1-NZ 3.13Å |
| 60 | D | 72 | Confident | 77.6 | Confident | 57 Ų | 57 | 37.1 Ų | 37.1 | 31% | 0.305 | 17% | 0.171 | S | C | . | . | trans | -81.5 | 91.9 | 175.8 | -174.5 | 14 | 0 | 0 | 0 | 110.9 | R62 S63 I64 | D60-R62 PolarHBondContact O-N 3.22Å; D60-R62 VanDerWaalsContact O-N 3.14Å; D60-R62 WeakPolarHBondContact OD1-CB 3.37Å; D60-R62 PolarHBondContact OD1-N 3.33Å; D60-R62 IonicContact OD1-NE 3.73Å; D60-S63 WeakPolarHBondContact O-CB 3.33Å; D60-S63 PolarHBondContact O-N 3.34Å; D60-I64 PolarHBondContact O-N 3.21Å | ||
| 61 | I | 78.9 | Confident | 77 | Confident | 9 Ų | 9 | 37.9 Ų | 37.9 | 5% | 0.046 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -56.6 | -27.6 | 176.6 | -54.9 | -45.3 | 0 | 0 | 0 | 112.5 | K5 Y8 L9 I55 D59 I64 C65 | K5-I61 HydrophobicContact CB-CG1 3.91Å; K5-I61 HydrophobicContact CD-CG1 4.26Å; Y8-I61 HydrophobicContact CD1-CG2 4.1Å; L9-I61 HydrophobicContact CB-CG2 3.74Å; L9-I61 HydrophobicContact CD1-CG2 4.31Å; L9-I61 HydrophobicContact CG-CG2 4.41Å; I55-I61 HydrophobicContact CG2-CD1 3.52Å; D59-I61 PolarHBondContact O-N 3.06Å; D59-I61 VanDerWaalsContact O-N 3.11Å; I61-I64 HydrophobicContact CD1-CD1 3.81Å; I61-I64 PolarHBondContact O-N 3.44Å; I61-C65 PolarHBondContact O-N 3.04Å; I61-C65 PolarHBondContact O-SG 3.5Å; I61-C65 VanDerWaalsContact O-SG 3.33Å |
| 62 | R | 73.4 | Confident | 76.7 | Confident | 175 Ų | 175 | 44.8 Ų | 44.8 | 66% | 0.66 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -67.5 | -38.3 | 176 | -70 | 179.6 | -63.8 | 179.5 | -1.3 | 111.7 | Y8 D60 I64 C65 Q66 | Y8-R62 HydrophobicContact CE1-CG 4.23Å; D60-R62 PolarHBondContact O-N 3.22Å; D60-R62 VanDerWaalsContact O-N 3.14Å; D60-R62 WeakPolarHBondContact OD1-CB 3.37Å; D60-R62 PolarHBondContact OD1-N 3.33Å; D60-R62 IonicContact OD1-NE 3.73Å; R62-I64 VanDerWaalsContact C-N 3.32Å; R62-I64 PolarHBondContact O-N 3.24Å; R62-C65 PolarHBondContact O-N 3.04Å; R62-Q66 VanDerWaalsContact O-CB 3.31Å; R62-Q66 WeakPolarHBondContact O-CB 3.47Å; R62-Q66 PolarHBondContact O-N 3.43Å |
| 63 | S | 66.3 | Low | 76.4 | Confident | 3 Ų | 3 | 47.7 Ų | 47.7 | 2% | 0.021 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63 | -38.7 | 171.9 | -166.6 | 0 | 0 | 0 | 0 | 111.7 | D60 Q66 E67 Q167 | D60-S63 WeakPolarHBondContact O-CB 3.33Å; D60-S63 PolarHBondContact O-N 3.34Å; S63-Q66 PolarHBondContact O-N 3.39Å; S63-E67 PolarHBondContact O-N 3.14Å; S63-Q167 WeakPolarHBondContact OG-CB 3.45Å |
| 64 | I | 76.6 | Confident | 76.2 | Confident | 2 Ų | 2 | 47.1 Ų | 47.1 | 1% | 0.01 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -70 | -42.4 | 177.7 | -65.2 | 159.6 | 0 | 0 | 0 | 111.6 | L9 I55 D59 D60 I61 R62 Q66 E67 I68 L92 L168 | L9-I64 HydrophobicContact CD1-CG2 3.93Å; L9-I64 HydrophobicContact CD2-CG2 4.48Å; I55-I64 HydrophobicContact CD1-CD1 4.11Å; D59-I64 HydrophobicContact CB-CD1 4.17Å; D60-I64 PolarHBondContact O-N 3.21Å; I61-I64 HydrophobicContact CD1-CD1 3.81Å; I61-I64 PolarHBondContact O-N 3.44Å; R62-I64 VanDerWaalsContact C-N 3.32Å; R62-I64 PolarHBondContact O-N 3.24Å; I64-Q66 VanDerWaalsContact C-N 3.28Å; I64-Q66 PolarHBondContact O-N 3.37Å; I64-E67 WeakPolarHBondContact O-CB 3.47Å; I64-E67 PolarHBondContact O-N 3.05Å; I64-E67 VanDerWaalsContact O-N 3.14Å; I64-I68 HydrophobicContact CG2-CD1 4.21Å; I64-I68 WeakPolarHBondContact O-CG1 3.2Å; I64-I68 PolarHBondContact O-N 3.01Å; I64-I68 VanDerWaalsContact O-N 3.08Å; I64-L92 HydrophobicContact CG2-CD2 3.49Å; I64-L92 VanDerWaalsContact CG2-CD2 3.49Å; I64-L168 HydrophobicContact CD1-CD2 3.97Å; I64-L168 HydrophobicContact CG1-CD2 4.02Å |
| 65 | C | 80.6 | Confident | 76.6 | Confident | 3 Ų | 3 | 48.9 Ų | 48.9 | 2% | 0.02 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.6 | -37.8 | 172.9 | -67.6 | 0 | 0 | 0 | 0 | 111.3 | Y8 F12 I61 R62 E67 I68 H69 | Y8-C65 HydrophobicContact CE1-CB 4.3Å; F12-C65 HydrophobicContact CD1-CB 4.16Å; F12-C65 HydrophobicContact CD2-CB 3.98Å; F12-C65 WeakPolarHBondContact CD2-SG 3.34Å; F12-C65 HydrophobicContact CE1-CB 4.33Å; F12-C65 HydrophobicContact CE2-CB 4.17Å; F12-C65 HydrophobicContact CG-CB 3.99Å; F12-C65 HydrophobicContact CZ-CB 4.34Å; I61-C65 PolarHBondContact O-N 3.04Å; I61-C65 PolarHBondContact O-SG 3.5Å; I61-C65 VanDerWaalsContact O-SG 3.33Å; R62-C65 PolarHBondContact O-N 3.04Å; C65-E67 VanDerWaalsContact C-N 3.33Å; C65-I68 PolarHBondContact O-N 2.83Å; C65-H69 VanDerWaalsContact O-CB 3.27Å; C65-H69 WeakPolarHBondContact O-CB 3.32Å; C65-H69 PolarHBondContact O-N 2.85Å |
| 66 | Q | 68.8 | Low | 77.2 | Confident | 94 Ų | 94 | 50.6 Ų | 50.6 | 44% | 0.439 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -67.5 | -30.6 | 174.2 | -169.3 | 169.5 | 8.7 | 0 | 0 | 112.5 | R62 S63 I64 T70 | R62-Q66 VanDerWaalsContact O-CB 3.31Å; R62-Q66 WeakPolarHBondContact O-CB 3.47Å; R62-Q66 PolarHBondContact O-N 3.43Å; S63-Q66 PolarHBondContact O-N 3.39Å; I64-Q66 VanDerWaalsContact C-N 3.28Å; I64-Q66 PolarHBondContact O-N 3.37Å; Q66-T70 VanDerWaalsContact O-CB 3.31Å; Q66-T70 WeakPolarHBondContact O-CB 3.29Å; Q66-T70 PolarHBondContact O-N 3.39Å; Q66-T70 PolarHBondContact O-OG1 2.9Å |
| 67 | E | 68.2 | Low | 78 | Confident | 17 Ų | 17 | 53.2 Ų | 53.2 | 8% | 0.079 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.9 | -58.1 | 169.3 | -161.8 | -178 | 177.7 | 0 | 0 | 111.3 | S63 I64 C65 H69 T70 L71 V164 | S63-E67 PolarHBondContact O-N 3.14Å; I64-E67 WeakPolarHBondContact O-CB 3.47Å; I64-E67 PolarHBondContact O-N 3.05Å; I64-E67 VanDerWaalsContact O-N 3.14Å; C65-E67 VanDerWaalsContact C-N 3.33Å; E67-H69 PolarHBondContact O-N 2.79Å; E67-T70 CarbonylContact O-C 3.4Å; E67-T70 WeakPolarHBondContact O-CA 3.38Å; E67-T70 PolarHBondContact O-N 2.77Å; E67-L71 HydrophobicContact CG-CD1 4Å; E67-L71 WeakPolarHBondContact O-CB 3.45Å; E67-L71 PolarHBondContact O-N 3.35Å; E67-V164 HydrophobicContact CB-CB 4.08Å; E67-V164 HydrophobicContact CB-CG1 4.13Å; E67-V164 HydrophobicContact CB-CG2 3.63Å; E67-V164 HydrophobicContact CG-CB 3.83Å; E67-V164 HydrophobicContact CG-CG1 4.32Å; E67-V164 HydrophobicContact CG-CG2 3.59Å |
| 68 | I | 79.8 | Confident | 79.2 | Confident | 3 Ų | 3 | 51.7 Ų | 51.7 | 2% | 0.015 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.2 | -40.3 | -175.9 | -65.6 | 164.9 | 0 | 0 | 0 | 110.3 | L9 V13 I64 C65 R72 F82 S85 L92 | L9-I68 HydrophobicContact CD1-CD1 3.77Å; V13-I68 HydrophobicContact CG1-CD1 4.04Å; I64-I68 HydrophobicContact CG2-CD1 4.21Å; I64-I68 WeakPolarHBondContact O-CG1 3.2Å; I64-I68 PolarHBondContact O-N 3.01Å; I64-I68 VanDerWaalsContact O-N 3.08Å; C65-I68 PolarHBondContact O-N 2.83Å; I68-R72 WeakPolarHBondContact O-CB 3.4Å; I68-R72 PolarHBondContact O-N 2.86Å; I68-F82 HydrophobicContact CG2-CZ 4.17Å; I68-S85 VanDerWaalsContact CG2-OG 3.29Å; I68-S85 WeakPolarHBondContact CG2-OG 3.27Å; I68-L92 HydrophobicContact CD1-CD1 4.01Å; I68-L92 HydrophobicContact CD1-CD2 4.08Å |
| 69 | H | 79.5 | Confident | 80.2 | Confident | 79 Ų | 79 | 49.1 Ų | 49.1 | 37% | 0.366 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -63.6 | -46.6 | 173.4 | 174.7 | 52.9 | 0 | 0 | 0 | 112.1 | C65 E67 R72 E73 R139 | C65-H69 VanDerWaalsContact O-CB 3.27Å; C65-H69 WeakPolarHBondContact O-CB 3.32Å; C65-H69 PolarHBondContact O-N 2.85Å; E67-H69 PolarHBondContact O-N 2.79Å; H69-R72 PolarHBondContact O-N 3.03Å; H69-E73 VanDerWaalsContact CE1-CD 3.46Å; H69-E73 IonicContact CE1-OE1 2.59Å; H69-E73 PolarHBondContact CE1-OE1 2.8Å; H69-E73 IonicContact CE1-OE2 3.06Å; H69-E73 IonicContact ND1-OE1 2.67Å; H69-E73 IonicContact NE2-OE1 2.68Å; H69-E73 IonicContact NE2-OE2 3.97Å; H69-E73 WeakPolarHBondContact O-CG 3.35Å; H69-E73 PolarHBondContact O-N 2.84Å; H69-E73 VanDerWaalsContact O-N 3.07Å; H69-R139 PolarHBondContact CD2-NH2 3.03Å; H69-R139 PolarHBondContact NE2-NH2 2.97Å |
| 70 | T | 72 | Confident | 81.4 | Confident | 19 Ų | 19 | 48.9 Ų | 48.9 | 12% | 0.117 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.5 | -47 | 177.9 | -58.7 | 0 | 0 | 0 | 0 | 111.9 | Q66 E67 R72 E73 C74 R139 | Q66-T70 VanDerWaalsContact O-CB 3.31Å; Q66-T70 WeakPolarHBondContact O-CB 3.29Å; Q66-T70 PolarHBondContact O-N 3.39Å; Q66-T70 PolarHBondContact O-OG1 2.9Å; E67-T70 CarbonylContact O-C 3.4Å; E67-T70 WeakPolarHBondContact O-CA 3.38Å; E67-T70 PolarHBondContact O-N 2.77Å; T70-R72 VanDerWaalsContact C-N 3.3Å; T70-R72 PolarHBondContact O-N 2.91Å; T70-E73 PolarHBondContact O-N 3.18Å; T70-C74 VanDerWaalsContact O-CB 3.32Å; T70-C74 WeakPolarHBondContact O-CB 3.14Å; T70-C74 PolarHBondContact O-N 2.97Å; T70-C74 PolarHBondContact O-SG 3.12Å; T70-R139 HydrophobicContact CG2-CB 4.29Å; T70-R139 HydrophobicContact CG2-CG 3.97Å |
| 71 | L | 79.6 | Confident | 82.4 | Confident | 15 Ų | 15 | 48.5 Ų | 48.5 | 8% | 0.079 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -55.1 | -43.4 | 173.4 | -83.2 | 166.3 | 0 | 0 | 0 | 112.2 | E67 C74 F82 I94 F162 | E67-L71 HydrophobicContact CG-CD1 4Å; E67-L71 WeakPolarHBondContact O-CB 3.45Å; E67-L71 PolarHBondContact O-N 3.35Å; L71-C74 PolarHBondContact O-N 2.84Å; L71-F82 HydrophobicContact CB-CB 4.13Å; L71-F82 HydrophobicContact CB-CD2 3.82Å; L71-F82 HydrophobicContact CB-CE2 4.4Å; L71-F82 HydrophobicContact CB-CG 4.04Å; L71-F82 HydrophobicContact CD1-CD2 4.27Å; L71-F82 WeakPolarHBondContact O-CB 3.41Å; L71-I94 HydrophobicContact CD1-CD1 4.13Å; L71-I94 HydrophobicContact CD1-CG2 4.08Å; L71-F162 HydrophobicContact CD2-CD2 3.63Å; L71-F162 HydrophobicContact CD2-CE2 3.89Å; L71-F162 HydrophobicContact CG-CD2 4.37Å |
| 72 | R | 84.6 | Confident | 83 | Confident | 156 Ų | 156 | 49 Ų | 49 | 59% | 0.589 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -68.3 | -33.1 | -179.2 | -180 | 175.4 | 174.4 | 170.5 | -2.5 | 113.3 | I68 H69 T70 F82 | I68-R72 WeakPolarHBondContact O-CB 3.4Å; I68-R72 PolarHBondContact O-N 2.86Å; H69-R72 PolarHBondContact O-N 3.03Å; T70-R72 VanDerWaalsContact C-N 3.3Å; T70-R72 PolarHBondContact O-N 2.91Å; R72-F82 HydrophobicContact CB-CD1 4Å; R72-F82 HydrophobicContact CB-CE1 3.89Å; R72-F82 HydrophobicContact CG-CD1 4.47Å; R72-F82 HydrophobicContact CG-CE1 4.25Å |
| 73 | E | 82.9 | Confident | 83.9 | Confident | 78 Ų | 78 | 45 Ų | 45 | 36% | 0.364 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -81.1 | -29.2 | 175.5 | -71.3 | -176.5 | 153.8 | 0 | 0 | 113.6 | H69 T70 R75 R139 | H69-E73 VanDerWaalsContact CE1-CD 3.46Å; H69-E73 IonicContact CE1-OE1 2.59Å; H69-E73 PolarHBondContact CE1-OE1 2.8Å; H69-E73 IonicContact CE1-OE2 3.06Å; H69-E73 IonicContact ND1-OE1 2.67Å; H69-E73 IonicContact NE2-OE1 2.68Å; H69-E73 IonicContact NE2-OE2 3.97Å; H69-E73 WeakPolarHBondContact O-CG 3.35Å; H69-E73 PolarHBondContact O-N 2.84Å; H69-E73 VanDerWaalsContact O-N 3.07Å; T70-E73 PolarHBondContact O-N 3.18Å; E73-R75 VanDerWaalsContact C-N 3.33Å; E73-R75 PolarHBondContact O-N 3.33Å; E73-R139 IonicContact OE1-NH2 2.63Å; E73-R139 IonicContact OE2-CZ 3.31Å; E73-R139 IonicContact OE2-NE 2.68Å; E73-R139 PolarHBondContact OE2-NE 3.24Å; E73-R139 IonicContact OE2-NH2 2.8Å; E73-R139 PolarHBondContact OE2-NH2 2.86Å |
| 74 | C | 82 | Confident | 85 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 21% | 0.206 | C | C | . | . | trans | -79.2 | 75.5 | -174.1 | -71.6 | 0 | 0 | 0 | 0 | 112.8 | T70 L71 I79 | T70-C74 VanDerWaalsContact O-CB 3.32Å; T70-C74 WeakPolarHBondContact O-CB 3.14Å; T70-C74 PolarHBondContact O-N 2.97Å; T70-C74 PolarHBondContact O-SG 3.12Å; L71-C74 PolarHBondContact O-N 2.84Å; C74-I79 HydrophobicContact CB-CD1 4.14Å; C74-I79 HydrophobicContact CB-CG2 4.19Å; C74-I79 WeakPolarHBondContact O-CG2 3.49Å | ||
| 75 | R | 90 | Very high | 85.8 | Confident | 162 Ų | 162 | 45.3 Ų | 45.3 | 61% | 0.611 | 21% | 0.207 | S | C | * | . | trans | -102.3 | 102.6 | 174.7 | -58 | -170.3 | -179 | -168.2 | -5.2 | 111.3 | E73 F133 | E73-R75 VanDerWaalsContact C-N 3.33Å; E73-R75 PolarHBondContact O-N 3.33Å; R75-F133 VanDerWaalsContact O-CE2 3.3Å; R75-F133 WeakPolarHBondContact O-CE2 3.22Å; R75-F133 WeakPolarHBondContact O-CZ 3.48Å | ||
| 76 | H | 94.6 | Very high | 86.4 | Confident | 45 Ų | 45 | 45.1 Ų | 45.1 | 21% | 0.208 | 21% | 0.206 | C | C | . | . | trans | -149.4 | 146.9 | 178.6 | -169.9 | -103.6 | 0 | 0 | 0 | 109.9 | N78 I79 F133 | H76-N78 PolarHBondContact CE1-OD1 2.89Å; H76-N78 PolarHBondContact ND1-N 2.74Å; H76-N78 PolarHBondContact ND1-OD1 3.27Å; H76-N78 PolarHBondContact O-N 2.99Å; H76-I79 HydrophobicContact CB-CB 4.09Å; H76-I79 HydrophobicContact CB-CD1 3.9Å; H76-I79 HydrophobicContact CB-CG1 4.1Å; H76-I79 PolarHBondContact O-N 2.86Å; H76-F133 HydrophobicContact CB-CB 4.31Å; H76-F133 HydrophobicContact CB-CD1 4Å; H76-F133 HydrophobicContact CB-CD2 3.93Å; H76-F133 HydrophobicContact CB-CE1 4.32Å; H76-F133 HydrophobicContact CB-CE2 4.19Å; H76-F133 HydrophobicContact CB-CG 3.81Å; H76-F133 HydrophobicContact CB-CZ 4.38Å; H76-F133 AromaticContact CD2-CD2 3.34Å; H76-F133 WeakPolarHBondContact CD2-CD2 3.49Å; H76-F133 AromaticContact CD2-CG 3.71Å; H76-F133 AromaticContact CG-CD2 3.86Å; H76-F133 AromaticContact CG-CG 3.83Å | ||
| 77 | P | 95.9 | Very high | 87.4 | Confident | 95 Ų | 95 | 41 Ų | 41 | 62% | 0.617 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | -40.5 | -179.1 | -29.3 | 37.1 | 0 | 0 | 0 | 113.8 | I79 K158 | P77-I79 VanDerWaalsContact C-N 3.3Å; P77-I79 PolarHBondContact O-N 2.97Å; P77-K158 PolarHBondContact O-NZ 3.15Å |
| 78 | N | 96.7 | Very high | 88.3 | Confident | 9 Ų | 9 | 45.9 Ų | 45.9 | 5% | 0.048 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | 19.6 | 179.6 | -42 | 92.8 | 0 | 0 | 0 | 114.2 | H76 E126 Q129 V157 V159 | H76-N78 PolarHBondContact CE1-OD1 2.89Å; H76-N78 PolarHBondContact ND1-N 2.74Å; H76-N78 PolarHBondContact ND1-OD1 3.27Å; H76-N78 PolarHBondContact O-N 2.99Å; N78-E126 WeakPolarHBondContact CB-O 3.48Å; N78-E126 WeakPolarHBondContact ND2-CB 3.43Å; N78-E126 PolarHBondContact ND2-OE2 2.93Å; N78-Q129 PolarHBondContact OD1-OE1 2.91Å; N78-V157 WeakPolarHBondContact CA-O 3.38Å; N78-V157 PolarHBondContact ND2-O 2.93Å; N78-V159 WeakPolarHBondContact O-CG2 3.28Å; N78-V159 PolarHBondContact O-N 2.91Å |
| 79 | I | 93.9 | Very high | 88.6 | Confident | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | B | Isolated β-bridge | trans | -120.2 | 144.6 | 172 | -76.9 | 176.1 | 0 | 0 | 0 | 108.1 | C74 H76 P77 Q81 F133 M134 K158 F162 | C74-I79 HydrophobicContact CB-CD1 4.14Å; C74-I79 HydrophobicContact CB-CG2 4.19Å; C74-I79 WeakPolarHBondContact O-CG2 3.49Å; H76-I79 HydrophobicContact CB-CB 4.09Å; H76-I79 HydrophobicContact CB-CD1 3.9Å; H76-I79 HydrophobicContact CB-CG1 4.1Å; H76-I79 PolarHBondContact O-N 2.86Å; P77-I79 VanDerWaalsContact C-N 3.3Å; P77-I79 PolarHBondContact O-N 2.97Å; I79-Q81 PolarHBondContact O-N 3.32Å; I79-F133 HydrophobicContact CD1-CD1 3.96Å; I79-M134 HydrophobicContact CD1-CG 3.87Å; I79-M134 HydrophobicContact CD1-SD 4.49Å; I79-K158 PolarHBondContact O-NZ 2.79Å; I79-F162 HydrophobicContact CB-CZ 4.47Å; I79-F162 HydrophobicContact CG1-CZ 4.25Å; I79-F162 HydrophobicContact CG2-CE2 4.14Å; I79-F162 HydrophobicContact CG2-CZ 3.72Å |
| 80 | V | 93.2 | Very high | 88.8 | Confident | 5 Ų | 5 | 50.3 Ų | 50.3 | 3% | 0.03 | 23% | 0.231 | C | C | . | . | trans | -65.2 | 112.9 | 170.9 | 170 | 0 | 0 | 0 | 0 | 110.2 | F82 M96 E97 L150 K158 V159 A160 | V80-F82 PolarHBondContact O-N 2.83Å; V80-M96 HydrophobicContact CG1-CB 3.82Å; V80-M96 HydrophobicContact CG1-CG 3.9Å; V80-M96 HydrophobicContact CG1-SD 3.71Å; V80-E97 WeakPolarHBondContact CA-OE1 3.49Å; V80-E97 HydrophobicContact CG1-CG 4.19Å; V80-L150 HydrophobicContact CG2-CD1 4.15Å; V80-K158 HydrophobicContact CG2-CB 3.9Å; V80-V159 PolarHBondContact N-O 2.86Å; V80-A160 HydrophobicContact CB-CB 4.37Å; V80-A160 HydrophobicContact CG2-CB 3.65Å | ||
| 81 | Q | 92.7 | Very high | 89.6 | Confident | 48 Ų | 48 | 52.6 Ų | 52.6 | 22% | 0.224 | 24% | 0.239 | C | C | . | . | trans | -69.3 | 114.3 | -176.7 | -179.1 | 57 | 73.9 | 0 | 0 | 111.5 | I79 Y83 M96 E97 | I79-Q81 PolarHBondContact O-N 3.32Å; Q81-Y83 HydrophobicContact CB-CE1 4.43Å; Q81-Y83 HydrophobicContact CG-CD1 4.18Å; Q81-Y83 HydrophobicContact CG-CE1 3.81Å; Q81-M96 CarbonylContact O-C 3.6Å; Q81-M96 VanDerWaalsContact O-CA 3.29Å; Q81-M96 WeakPolarHBondContact O-CA 3.32Å; Q81-E97 HydrophobicContact CB-CB 4.43Å; Q81-E97 HydrophobicContact CB-CG 4.29Å; Q81-E97 WeakPolarHBondContact CB-OE1 3.34Å; Q81-E97 PolarHBondContact N-OE1 3.27Å; Q81-E97 PolarHBondContact O-N 3Å | ||
| 82 | F | 91.3 | Very high | 90 | Very high | 19 Ų | 19 | 51.9 Ų | 51.9 | 8% | 0.083 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 135 | 169.7 | 174.3 | -95 | 0 | 0 | 0 | 111.8 | I68 L71 R72 V80 G84 I94 | I68-F82 HydrophobicContact CG2-CZ 4.17Å; L71-F82 HydrophobicContact CB-CB 4.13Å; L71-F82 HydrophobicContact CB-CD2 3.82Å; L71-F82 HydrophobicContact CB-CE2 4.4Å; L71-F82 HydrophobicContact CB-CG 4.04Å; L71-F82 HydrophobicContact CD1-CD2 4.27Å; L71-F82 WeakPolarHBondContact O-CB 3.41Å; R72-F82 HydrophobicContact CB-CD1 4Å; R72-F82 HydrophobicContact CB-CE1 3.89Å; R72-F82 HydrophobicContact CG-CD1 4.47Å; R72-F82 HydrophobicContact CG-CE1 4.25Å; V80-F82 PolarHBondContact O-N 2.83Å; F82-G84 VanDerWaalsContact CZ-CA 3.44Å; F82-I94 HydrophobicContact CD2-CG2 3.94Å; F82-I94 HydrophobicContact CE2-CG2 3.99Å |
| 83 | Y | 91.7 | Very high | 90.4 | Very high | 93 Ų | 93 | 46 Ų | 46 | 37% | 0.365 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | -29.8 | 175.7 | -60.4 | -38.9 | 0 | 0 | 0 | 113.3 | V48 Q81 C95 M96 E97 | V48-Y83 HydrophobicContact CB-CD2 4.3Å; V48-Y83 HydrophobicContact CB-CE2 4.16Å; V48-Y83 HydrophobicContact CG1-CD2 3.86Å; V48-Y83 HydrophobicContact CG1-CE2 3.62Å; Q81-Y83 HydrophobicContact CB-CE1 4.43Å; Q81-Y83 HydrophobicContact CG-CD1 4.18Å; Q81-Y83 HydrophobicContact CG-CE1 3.81Å; Y83-C95 PolarHBondContact N-O 2.74Å; Y83-M96 VanDerWaalsContact CE2-C 3.45Å; Y83-M96 WeakPolarHBondContact CE2-O 3.26Å; Y83-E97 HydrophobicContact CE2-CB 4.14Å; Y83-E97 VanDerWaalsContact OH-CB 3.28Å; Y83-E97 WeakPolarHBondContact OH-CB 3.45Å |
| 84 | G | 91.1 | Very high | 90.7 | Very high | 5 Ų | 5 | 42.3 Ų | 42.3 | 5% | 0.052 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 166.9 | 165.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | F82 C95 | F82-G84 VanDerWaalsContact CZ-CA 3.44Å; G84-C95 PolarHBondContact N-O 2.91Å; G84-C95 PolarHBondContact O-N 2.68Å |
| 85 | S | 92.4 | Very high | 91.2 | Very high | 5 Ų | 5 | 42.3 Ų | 42.3 | 4% | 0.035 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 154.1 | 175.7 | 51 | 0 | 0 | 0 | 0 | 111.4 | V13 K14 I68 W93 | V13-S85 WeakPolarHBondContact CB-O 3.24Å; K14-S85 PolarHBondContact N-O 2.81Å; I68-S85 VanDerWaalsContact CG2-OG 3.29Å; I68-S85 WeakPolarHBondContact CG2-OG 3.27Å; S85-W93 CarbonylContact C-O 3.51Å; S85-W93 WeakPolarHBondContact CA-O 3.27Å; S85-W93 WeakPolarHBondContact CB-O 3.38Å |
| 86 | Y | 93.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 149.8 | -173.5 | -47.4 | -104 | 0 | 0 | 0 | 110 | K14 N16 P18 E21 Y22 W93 C95 | K14-Y86 HydrophobicContact CB-CD1 3.68Å; K14-Y86 HydrophobicContact CB-CE1 3.62Å; K14-Y86 HydrophobicContact CB-CG 4.47Å; K14-Y86 HydrophobicContact CD-CD1 4.25Å; K14-Y86 HydrophobicContact CD-CE1 3.36Å; K14-Y86 HydrophobicContact CD-CE2 4.42Å; K14-Y86 VanDerWaalsContact CD-CZ 3.43Å; K14-Y86 WeakPolarHBondContact CD-OH 3.42Å; K14-Y86 HydrophobicContact CG-CE1 4.17Å; K14-Y86 PolarHBondContact NZ-OH 2.85Å; N16-Y86 WeakPolarHBondContact O-CD1 3.22Å; P18-Y86 HydrophobicContact CB-CD1 4.11Å; P18-Y86 HydrophobicContact CB-CD2 3.88Å; P18-Y86 HydrophobicContact CB-CE2 4.44Å; P18-Y86 HydrophobicContact CB-CG 3.75Å; P18-Y86 HydrophobicContact CG-CG 4.26Å; E21-Y86 PolarHBondContact OE1-OH 2.82Å; E21-Y86 PolarHBondContact OE2-OH 2.87Å; Y22-Y86 AromaticContact CE2-CE2 3.89Å; Y22-Y86 HydrophobicContact CE2-CE2 3.89Å; Y22-Y86 AromaticContact CE2-CZ 3.83Å; Y22-Y86 WeakPolarHBondContact CE2-OH 3.49Å; Y86-W93 HydrophobicContact CD2-CB 4.32Å; Y86-W93 PolarHBondContact N-O 3.12Å; Y86-W93 PolarHBondContact O-N 2.87Å; Y86-C95 HydrophobicContact CE2-CB 4.42Å |
| 87 | L | 90.5 | Very high | 91.3 | Very high | 7 Ų | 7 | 35 Ų | 35 | 4% | 0.037 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 106.8 | 178.7 | -175.8 | 68.8 | 0 | 0 | 0 | 112.2 | L6 L9 R10 V13 L92 | L6-L87 HydrophobicContact CB-CD2 4.37Å; L6-L87 HydrophobicContact CD2-CD2 4.46Å; L9-L87 HydrophobicContact CB-CD2 4.19Å; L9-L87 HydrophobicContact CD2-CD1 3.96Å; L9-L87 HydrophobicContact CD2-CD2 3.97Å; L9-L87 HydrophobicContact CG-CD2 4.09Å; R10-L87 HydrophobicContact CG-CD2 3.96Å; R10-L87 PolarHBondContact NH1-O 2.81Å; R10-L87 VanDerWaalsContact NH1-O 3.15Å; V13-L87 HydrophobicContact CG2-CB 3.93Å; L87-L92 HydrophobicContact CD1-CB 4.4Å |
| 88 | R | 86.7 | Confident | 91.3 | Very high | 120 Ų | 120 | 32.6 Ų | 32.6 | 45% | 0.453 | 15% | 0.148 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 134.6 | -175.2 | -150.2 | 71.9 | 172 | 145.2 | 8.4 | 110.1 | D17 N90 K91 | D17-R88 WeakPolarHBondContact OD2-CD 3.37Å; D17-R88 IonicContact OD2-CZ 3.09Å; D17-R88 IonicContact OD2-NE 3.47Å; D17-R88 PolarHBondContact OD2-NE 3.28Å; D17-R88 IonicContact OD2-NH2 3.45Å; R88-N90 VanDerWaalsContact C-N 3.29Å; R88-N90 PolarHBondContact O-N 3.4Å; R88-K91 PolarHBondContact N-O 2.78Å; R88-K91 VanDerWaalsContact N-O 3.1Å; R88-K91 WeakPolarHBondContact O-CA 3.49Å; R88-K91 WeakPolarHBondContact O-CB 3.41Å; R88-K91 PolarHBondContact O-N 2.86Å; R88-K91 VanDerWaalsContact O-O 3.09Å |
| 89 | N | 85.3 | Confident | 91.2 | Very high | 109 Ų | 109 | 32.9 Ų | 32.9 | 58% | 0.583 | 15% | 0.15 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 44.7 | 47.8 | -177.6 | -62.7 | 26.7 | 0 | 0 | 0 | 113.9 | K91 E596 | N89-K91 PolarHBondContact O-N 2.8Å; N89-E596 PolarHBondContact ND2-OE2 3.47Å |
| 90 | N | 84.1 | Confident | 91.2 | Very high | 65 Ų | 65 | 33.5 Ų | 33.5 | 35% | 0.348 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.8 | 15.7 | -175.1 | -59.6 | -3.6 | 0 | 0 | 0 | 115.4 | L6 I55 R88 | L6-N90 WeakPolarHBondContact CD1-OD1 3.33Å; I55-N90 PolarHBondContact N-O 3.32Å; R88-N90 VanDerWaalsContact C-N 3.29Å; R88-N90 PolarHBondContact O-N 3.4Å |
| 91 | K | 88.4 | Confident | 91.1 | Very high | 68 Ų | 68 | 33.4 Ų | 33.4 | 30% | 0.296 | 16% | 0.158 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 122 | 172.6 | -67.3 | 162 | 178.9 | 173.4 | 0 | 108.6 | V52 M53 R88 N89 E596 | V52-K91 HydrophobicContact CG1-CB 3.98Å; V52-K91 HydrophobicContact CG1-CD 4.42Å; V52-K91 HydrophobicContact CG1-CG 4.4Å; M53-K91 CarbonylContact O-C 3.58Å; M53-K91 WeakPolarHBondContact O-CA 3.42Å; R88-K91 PolarHBondContact N-O 2.78Å; R88-K91 VanDerWaalsContact N-O 3.1Å; R88-K91 WeakPolarHBondContact O-CA 3.49Å; R88-K91 WeakPolarHBondContact O-CB 3.41Å; R88-K91 PolarHBondContact O-N 2.86Å; R88-K91 VanDerWaalsContact O-O 3.09Å; N89-K91 PolarHBondContact O-N 2.8Å; K91-E596 IonicContact NZ-OE1 3.76Å; K91-E596 PolarHBondContact NZ-OE1 3.18Å |
| 92 | L | 88.6 | Confident | 91.1 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 121.2 | 170.6 | 173.3 | 60.3 | 0 | 0 | 0 | 108.6 | V13 V52 M53 I55 I64 I68 L87 I94 | V13-L92 HydrophobicContact CG1-CD1 3.92Å; V52-L92 WeakPolarHBondContact CA-O 3.26Å; M53-L92 HydrophobicContact CE-CD2 3.85Å; M53-L92 HydrophobicContact CE-CG 4.41Å; M53-L92 PolarHBondContact N-O 3.5Å; M53-L92 PolarHBondContact O-N 2.9Å; I55-L92 HydrophobicContact CD1-CB 3.81Å; I55-L92 HydrophobicContact CD1-CD2 4.22Å; I55-L92 HydrophobicContact CG1-CB 3.86Å; I64-L92 HydrophobicContact CG2-CD2 3.49Å; I64-L92 VanDerWaalsContact CG2-CD2 3.49Å; I68-L92 HydrophobicContact CD1-CD1 4.01Å; I68-L92 HydrophobicContact CD1-CD2 4.08Å; L87-L92 HydrophobicContact CD1-CB 4.4Å; L92-I94 HydrophobicContact CD2-CD1 4.38Å; L92-I94 HydrophobicContact CG-CG1 4.18Å |
| 93 | W | 92.3 | Very high | 91.2 | Very high | 32 Ų | 32 | 33.8 Ų | 33.8 | 12% | 0.121 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 129.9 | 175.1 | -67.4 | 49.2 | 0 | 0 | 0 | 108.3 | P18 I24 V50 K51 V52 S85 Y86 | P18-W93 HydrophobicContact CB-CD2 3.95Å; P18-W93 HydrophobicContact CB-CE3 3.52Å; P18-W93 HydrophobicContact CB-CG 4.38Å; P18-W93 HydrophobicContact CB-CZ3 4.05Å; P18-W93 HydrophobicContact CG-CB 4.43Å; P18-W93 HydrophobicContact CG-CD2 3.48Å; P18-W93 VanDerWaalsContact CG-CD2 3.48Å; P18-W93 HydrophobicContact CG-CE3 3.53Å; P18-W93 HydrophobicContact CG-CG 3.88Å; P18-W93 HydrophobicContact CG-CH2 4.45Å; P18-W93 HydrophobicContact CG-CZ2 4.39Å; P18-W93 HydrophobicContact CG-CZ3 4.03Å; I24-W93 HydrophobicContact CD1-CH2 4.29Å; I24-W93 HydrophobicContact CD1-CZ3 3.9Å; I24-W93 HydrophobicContact CG1-CH2 4.28Å; I24-W93 HydrophobicContact CG1-CZ3 4.23Å; V50-W93 HydrophobicContact CG1-CD2 4.25Å; V50-W93 HydrophobicContact CG1-CE3 3.48Å; V50-W93 VanDerWaalsContact CG1-CE3 3.48Å; V50-W93 HydrophobicContact CG1-CZ3 4.03Å; K51-W93 CarbonylContact O-C 3.56Å; K51-W93 WeakPolarHBondContact O-CA 3.41Å; V52-W93 HydrophobicContact CG2-CD2 3.88Å; V52-W93 HydrophobicContact CG2-CE3 4.23Å; V52-W93 HydrophobicContact CG2-CG 4.18Å; V52-W93 HydrophobicContact CG2-CZ2 4.37Å; S85-W93 CarbonylContact C-O 3.51Å; S85-W93 WeakPolarHBondContact CA-O 3.27Å; S85-W93 WeakPolarHBondContact CB-O 3.38Å; Y86-W93 HydrophobicContact CD2-CB 4.32Å; Y86-W93 PolarHBondContact N-O 3.12Å; Y86-W93 PolarHBondContact O-N 2.87Å |
| 94 | I | 90.1 | Very high | 91.4 | Very high | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 112.4 | 173.9 | -58.2 | -177.5 | 0 | 0 | 0 | 107.9 | V50 K51 M53 L71 F82 L92 M96 | V50-I94 WeakPolarHBondContact CA-O 3.29Å; K51-I94 HydrophobicContact CB-CB 4.41Å; K51-I94 PolarHBondContact N-O 3.33Å; K51-I94 PolarHBondContact O-N 2.89Å; M53-I94 HydrophobicContact CE-CD1 3.62Å; M53-I94 HydrophobicContact CE-CG1 4.45Å; L71-I94 HydrophobicContact CD1-CD1 4.13Å; L71-I94 HydrophobicContact CD1-CG2 4.08Å; F82-I94 HydrophobicContact CD2-CG2 3.94Å; F82-I94 HydrophobicContact CE2-CG2 3.99Å; L92-I94 HydrophobicContact CD2-CD1 4.38Å; L92-I94 HydrophobicContact CG-CG1 4.18Å; I94-M96 HydrophobicContact CB-CE 4.25Å; I94-M96 HydrophobicContact CG2-CE 3.61Å |
| 95 | C | 93 | Very high | 91.4 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 129.3 | 179.5 | -59.2 | 0 | 0 | 0 | 0 | 110.2 | Y22 A49 Y83 G84 Y86 | Y22-C95 HydrophobicContact CE1-CB 4.29Å; Y22-C95 HydrophobicContact CE2-CB 4.13Å; Y22-C95 VanDerWaalsContact CE2-SG 3.59Å; A49-C95 WeakPolarHBondContact O-CA 3.49Å; Y83-C95 PolarHBondContact N-O 2.74Å; G84-C95 PolarHBondContact N-O 2.91Å; G84-C95 PolarHBondContact O-N 2.68Å; Y86-C95 HydrophobicContact CE2-CB 4.42Å |
| 96 | M | 92.8 | Very high | 91.4 | Very high | 21 Ų | 21 | 34.9 Ų | 34.9 | 10% | 0.103 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 171.6 | -172.9 | 66.3 | -171.4 | 70.6 | 0 | 0 | 111.3 | V48 A49 K51 V80 Q81 Y83 I94 | V48-M96 WeakPolarHBondContact CA-O 3.35Å; V48-M96 WeakPolarHBondContact CB-O 3.4Å; A49-M96 HydrophobicContact CB-CG 3.84Å; A49-M96 PolarHBondContact N-O 2.85Å; A49-M96 PolarHBondContact O-N 2.81Å; K51-M96 HydrophobicContact CB-CE 4.07Å; V80-M96 HydrophobicContact CG1-CB 3.82Å; V80-M96 HydrophobicContact CG1-CG 3.9Å; V80-M96 HydrophobicContact CG1-SD 3.71Å; Q81-M96 CarbonylContact O-C 3.6Å; Q81-M96 VanDerWaalsContact O-CA 3.29Å; Q81-M96 WeakPolarHBondContact O-CA 3.32Å; Y83-M96 VanDerWaalsContact CE2-C 3.45Å; Y83-M96 WeakPolarHBondContact CE2-O 3.26Å; I94-M96 HydrophobicContact CB-CE 4.25Å; I94-M96 HydrophobicContact CG2-CE 3.61Å |
| 97 | E | 93.7 | Very high | 91.2 | Very high | 31 Ų | 31 | 34.9 Ų | 34.9 | 15% | 0.145 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 147.3 | 178.6 | 73.6 | -175.8 | 128.9 | 0 | 0 | 113.7 | V80 Q81 Y83 K158 | V80-E97 WeakPolarHBondContact CA-OE1 3.49Å; V80-E97 HydrophobicContact CG1-CG 4.19Å; Q81-E97 HydrophobicContact CB-CB 4.43Å; Q81-E97 HydrophobicContact CB-CG 4.29Å; Q81-E97 WeakPolarHBondContact CB-OE1 3.34Å; Q81-E97 PolarHBondContact N-OE1 3.27Å; Q81-E97 PolarHBondContact O-N 3Å; Y83-E97 HydrophobicContact CE2-CB 4.14Å; Y83-E97 VanDerWaalsContact OH-CB 3.28Å; Y83-E97 WeakPolarHBondContact OH-CB 3.45Å; E97-K158 HydrophobicContact CG-CD 4.42Å; E97-K158 WeakPolarHBondContact OE1-CD 3.43Å; E97-K158 VanDerWaalsContact OE1-CE 3.26Å; E97-K158 WeakPolarHBondContact OE1-CE 3.48Å; E97-K158 IonicContact OE1-NZ 2.75Å; E97-K158 PolarHBondContact OE1-NZ 2.84Å; E97-K158 WeakPolarHBondContact OE2-CE 3.33Å; E97-K158 IonicContact OE2-NZ 2.69Å; E97-K158 PolarHBondContact OE2-NZ 3Å |
| 98 | Y | 95.3 | Very high | 91.3 | Very high | 46 Ų | 46 | 34.8 Ų | 34.8 | 18% | 0.18 | 17% | 0.168 | C | C | . | . | trans | -87.3 | 110.6 | 179 | 176.8 | -103.8 | 0 | 0 | 0 | 111.5 | I28 K38 L47 G100 | I28-Y98 HydrophobicContact CD1-CD2 4.12Å; I28-Y98 HydrophobicContact CD1-CE2 3.84Å; K38-Y98 HydrophobicContact CB-CD2 4.46Å; K38-Y98 HydrophobicContact CB-CE2 4.13Å; K38-Y98 HydrophobicContact CD-CD2 4.32Å; K38-Y98 HydrophobicContact CD-CE1 4.36Å; K38-Y98 HydrophobicContact CD-CE2 3.63Å; K38-Y98 HydrophobicContact CG-CD2 4Å; K38-Y98 HydrophobicContact CG-CE2 3.74Å; K38-Y98 PolarHBondContact NZ-OH 3.5Å; L47-Y98 HydrophobicContact CB-CD1 3.96Å; L47-Y98 HydrophobicContact CB-CG 4.08Å; L47-Y98 HydrophobicContact CD1-CD1 3.97Å; L47-Y98 HydrophobicContact CD1-CE1 4.13Å; Y98-G100 PolarHBondContact O-N 2.78Å | ||
| 99 | C | 95.1 | Very high | 91.3 | Very high | 14 Ų | 14 | 33.7 Ų | 33.7 | 10% | 0.095 | 17% | 0.171 | C | C | . | . | trans | -90.3 | 83.6 | 176 | -63.3 | 0 | 0 | 0 | 0 | 110.7 | G101 Q102 L150 L151 | C99-G101 VanDerWaalsContact C-N 3.26Å; C99-G101 PolarHBondContact O-N 2.74Å; C99-Q102 PolarHBondContact O-N 2.76Å; C99-Q102 VanDerWaalsContact O-N 3.15Å; C99-L150 HydrophobicContact CB-CB 3.61Å; C99-L150 HydrophobicContact CB-CD1 3.86Å; C99-L150 HydrophobicContact CB-CG 4.39Å; C99-L151 CarbonylContact C-O 3.59Å; C99-L151 WeakPolarHBondContact CA-O 3.28Å; C99-L151 WeakPolarHBondContact CB-O 3.35Å | ||
| 100 | G | 92.5 | Very high | 91.4 | Very high | 14 Ų | 14 | 33.1 Ų | 33.1 | 14% | 0.144 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -14 | -170.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | Y98 Q102 D153 | Y98-G100 PolarHBondContact O-N 2.78Å; G100-Q102 PolarHBondContact O-N 2.78Å; G100-D153 WeakPolarHBondContact CA-OD2 3.35Å |
| 101 | G | 91.9 | Very high | 91.6 | Very high | 4 Ų | 4 | 30.5 Ų | 30.5 | 4% | 0.041 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | C99 I107 L151 | C99-G101 VanDerWaalsContact C-N 3.26Å; C99-G101 PolarHBondContact O-N 2.74Å; G101-I107 WeakPolarHBondContact O-CD1 3.19Å; G101-L151 VanDerWaalsContact CA-O 3.3Å; G101-L151 WeakPolarHBondContact CA-O 3.44Å; G101-L151 PolarHBondContact N-O 2.89Å |
| 102 | Q | 91.8 | Very high | 91.6 | Very high | 68 Ų | 68 | 35.7 Ų | 35.7 | 32% | 0.318 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 65.7 | -170.3 | -173.7 | -52.4 | -168.1 | -42.5 | 0 | 0 | 113.5 | C99 G100 D106 L150 L151 | C99-Q102 PolarHBondContact O-N 2.76Å; C99-Q102 VanDerWaalsContact O-N 3.15Å; G100-Q102 PolarHBondContact O-N 2.78Å; Q102-D106 HydrophobicContact CB-CB 3.92Å; Q102-D106 WeakPolarHBondContact CB-OD2 3.31Å; Q102-L150 WeakPolarHBondContact O-CA 3.26Å; Q102-L151 PolarHBondContact O-N 3.07Å |
| 103 | S | 94.3 | Very high | 91.3 | Very high | 7 Ų | 7 | 41.5 Ų | 41.5 | 5% | 0.049 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 156.7 | 178.7 | 74.8 | 0 | 0 | 0 | 0 | 112.1 | Q105 D106 I107 A147 I149 | S103-Q105 PolarHBondContact O-N 3.09Å; S103-Q105 PolarHBondContact OG-N 2.98Å; S103-D106 VanDerWaalsContact CB-OD2 3.29Å; S103-D106 WeakPolarHBondContact CB-OD2 3.32Å; S103-D106 PolarHBondContact N-OD2 2.8Å; S103-D106 PolarHBondContact O-N 2.84Å; S103-D106 VanDerWaalsContact O-N 3.17Å; S103-D106 PolarHBondContact OG-N 3.22Å; S103-D106 PolarHBondContact OG-OD2 2.86Å; S103-I107 VanDerWaalsContact O-CG1 3.32Å; S103-I107 WeakPolarHBondContact O-CG1 3.4Å; S103-I107 PolarHBondContact O-N 2.77Å; S103-I107 VanDerWaalsContact O-N 3.11Å; S103-A147 VanDerWaalsContact CB-O 3.27Å; S103-A147 WeakPolarHBondContact CB-O 3.47Å; S103-I149 CarbonylContact C-O 3.58Å; S103-I149 WeakPolarHBondContact CA-O 3.38Å |
| 104 | M | 95.5 | Very high | 91.3 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.3 | -30.9 | 171.6 | -68.2 | -61.5 | -55.3 | 0 | 0 | 111.6 | I107 Y108 L115 V123 G146 I149 L151 Y215 L294 | M104-I107 PolarHBondContact O-N 3.39Å; M104-I107 HydrophobicContact SD-CD1 4.22Å; M104-Y108 WeakPolarHBondContact O-CD1 3.32Å; M104-Y108 PolarHBondContact O-N 3.12Å; M104-L115 HydrophobicContact CE-CD1 3.35Å; M104-V123 HydrophobicContact CE-CG1 4.45Å; M104-V123 HydrophobicContact CE-CG2 3.97Å; M104-V123 HydrophobicContact CG-CG1 4.24Å; M104-V123 HydrophobicContact SD-CG1 4.43Å; M104-V123 HydrophobicContact SD-CG2 4.18Å; M104-G146 PolarHBondContact N-O 2.97Å; M104-I149 HydrophobicContact CG-CB 4.05Å; M104-I149 HydrophobicContact CG-CG2 3.79Å; M104-I149 PolarHBondContact N-O 3.03Å; M104-L151 HydrophobicContact SD-CD1 3.92Å; M104-L151 HydrophobicContact SD-CD2 3.82Å; M104-L151 HydrophobicContact SD-CG 3.79Å; M104-Y215 HydrophobicContact CB-CE1 3.52Å; M104-Y215 WeakPolarHBondContact CB-OH 3.3Å; M104-Y215 HydrophobicContact CG-CE1 4.31Å; M104-Y215 WeakPolarHBondContact CG-OH 3.38Å; M104-L294 HydrophobicContact CE-CD2 3.98Å |
| 105 | Q | 92.4 | Very high | 91.5 | Very high | 56 Ų | 56 | 42.9 Ų | 42.9 | 26% | 0.262 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -64.6 | -48.4 | 172.3 | 178 | 162.2 | 84.5 | 0 | 0 | 112.8 | S103 I107 Y108 L109 G146 A147 | S103-Q105 PolarHBondContact O-N 3.09Å; S103-Q105 PolarHBondContact OG-N 2.98Å; Q105-I107 PolarHBondContact O-N 2.92Å; Q105-Y108 HydrophobicContact CB-CE1 4Å; Q105-Y108 HydrophobicContact CG-CE1 4.25Å; Q105-Y108 PolarHBondContact NE2-OH 2.81Å; Q105-Y108 VanDerWaalsContact NE2-OH 3.14Å; Q105-Y108 PolarHBondContact O-N 2.82Å; Q105-L109 HydrophobicContact CG-CD1 3.59Å; Q105-L109 HydrophobicContact CG-CG 4.14Å; Q105-L109 VanDerWaalsContact O-CB 3.3Å; Q105-L109 WeakPolarHBondContact O-CB 3.46Å; Q105-L109 VanDerWaalsContact O-CG 3.26Å; Q105-L109 WeakPolarHBondContact O-CG 3.29Å; Q105-L109 PolarHBondContact O-N 3Å; Q105-G146 PolarHBondContact N-O 3.07Å; Q105-G146 VanDerWaalsContact N-O 3.07Å; Q105-A147 HydrophobicContact CB-CB 4.45Å |
| 106 | D | 90.7 | Very high | 91.5 | Very high | 70 Ų | 70 | 49.5 Ų | 49.5 | 37% | 0.374 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -55.5 | -42.4 | 175.2 | -62.2 | -60.6 | 0 | 0 | 0 | 111 | Q102 S103 Y110 | Q102-D106 HydrophobicContact CB-CB 3.92Å; Q102-D106 WeakPolarHBondContact CB-OD2 3.31Å; S103-D106 VanDerWaalsContact CB-OD2 3.29Å; S103-D106 WeakPolarHBondContact CB-OD2 3.32Å; S103-D106 PolarHBondContact N-OD2 2.8Å; S103-D106 PolarHBondContact O-N 2.84Å; S103-D106 VanDerWaalsContact O-N 3.17Å; S103-D106 PolarHBondContact OG-N 3.22Å; S103-D106 PolarHBondContact OG-OD2 2.86Å; D106-Y110 WeakPolarHBondContact O-CB 3.29Å; D106-Y110 PolarHBondContact O-N 2.89Å |
| 107 | I | 91.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66.7 | -48.7 | -178.3 | -64.1 | 164.6 | 0 | 0 | 0 | 111.7 | G101 S103 M104 Q105 Y110 T111 L151 L294 L295 | G101-I107 WeakPolarHBondContact O-CD1 3.19Å; S103-I107 VanDerWaalsContact O-CG1 3.32Å; S103-I107 WeakPolarHBondContact O-CG1 3.4Å; S103-I107 PolarHBondContact O-N 2.77Å; S103-I107 VanDerWaalsContact O-N 3.11Å; M104-I107 PolarHBondContact O-N 3.39Å; M104-I107 HydrophobicContact SD-CD1 4.22Å; Q105-I107 PolarHBondContact O-N 2.92Å; I107-Y110 PolarHBondContact O-N 2.8Å; I107-T111 HydrophobicContact CG2-CG2 4.49Å; I107-T111 WeakPolarHBondContact O-CB 3.37Å; I107-T111 WeakPolarHBondContact O-CG2 3.25Å; I107-T111 PolarHBondContact O-N 2.88Å; I107-T111 PolarHBondContact O-OG1 2.91Å; I107-L151 HydrophobicContact CD1-CD1 3.5Å; I107-L151 HydrophobicContact CD1-CG 3.97Å; I107-L294 HydrophobicContact CG2-CD1 3.96Å; I107-L294 HydrophobicContact CG2-CD2 3.64Å; I107-L294 HydrophobicContact CG2-CG 3.57Å; I107-L295 HydrophobicContact CD1-CD2 4.09Å |
| 108 | Y | 90.9 | Very high | 91.8 | Very high | 5 Ų | 5 | 52.8 Ų | 52.8 | 2% | 0.02 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -72.3 | -33.5 | -178.7 | 79.4 | -120.2 | 0 | 0 | 0 | 112 | M104 Q105 R112 E214 Y215 L218 | M104-Y108 WeakPolarHBondContact O-CD1 3.32Å; M104-Y108 PolarHBondContact O-N 3.12Å; Q105-Y108 HydrophobicContact CB-CE1 4Å; Q105-Y108 HydrophobicContact CG-CE1 4.25Å; Q105-Y108 PolarHBondContact NE2-OH 2.81Å; Q105-Y108 VanDerWaalsContact NE2-OH 3.14Å; Q105-Y108 PolarHBondContact O-N 2.82Å; Y108-R112 WeakPolarHBondContact O-CA 3.34Å; Y108-R112 PolarHBondContact O-N 3.33Å; Y108-E214 HydrophobicContact CE1-CG 3.79Å; Y108-E214 WeakPolarHBondContact OH-CG 3.1Å; Y108-E214 PolarHBondContact OH-OE1 3.1Å; Y108-Y215 HydrophobicContact CD1-CD1 4.01Å; Y108-Y215 HydrophobicContact CD1-CE1 4.43Å; Y108-Y215 HydrophobicContact CE1-CD1 4.21Å; Y108-Y215 HydrophobicContact CE1-CE1 4.48Å; Y108-L218 HydrophobicContact CD2-CB 4.21Å; Y108-L218 HydrophobicContact CD2-CD2 3.5Å; Y108-L218 HydrophobicContact CD2-CG 4.47Å; Y108-L218 HydrophobicContact CE2-CB 4.25Å; Y108-L218 HydrophobicContact CE2-CD2 4.33Å; Y108-L218 VanDerWaalsContact CE2-O 3.23Å; Y108-L218 WeakPolarHBondContact CE2-O 3.44Å; Y108-L218 HydrophobicContact CG-CD2 3.92Å |
| 109 | L | 88.1 | Confident | 91.9 | Very high | 97 Ų | 97 | 50.9 Ų | 50.9 | 51% | 0.508 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -69.5 | -36.8 | 174.9 | -69.8 | 177.8 | 0 | 0 | 0 | 112.3 | Q105 R112 | Q105-L109 HydrophobicContact CG-CD1 3.59Å; Q105-L109 HydrophobicContact CG-CG 4.14Å; Q105-L109 VanDerWaalsContact O-CB 3.3Å; Q105-L109 WeakPolarHBondContact O-CB 3.46Å; Q105-L109 VanDerWaalsContact O-CG 3.26Å; Q105-L109 WeakPolarHBondContact O-CG 3.29Å; Q105-L109 PolarHBondContact O-N 3Å; L109-R112 VanDerWaalsContact O-CG 3.23Å; L109-R112 WeakPolarHBondContact O-CG 3.2Å |
| 110 | Y | 87.1 | Confident | 92 | Very high | 96 Ų | 96 | 50.2 Ų | 50.2 | 38% | 0.376 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -72.2 | -46.8 | 176.5 | -168.3 | -85.3 | 0 | 0 | 0 | 112.1 | D106 I107 R112 R298 L301 E302 | D106-Y110 WeakPolarHBondContact O-CB 3.29Å; D106-Y110 PolarHBondContact O-N 2.89Å; I107-Y110 PolarHBondContact O-N 2.8Å; Y110-R112 VanDerWaalsContact C-N 3.35Å; Y110-R298 HydrophobicContact CD1-CG 3.91Å; Y110-R298 HydrophobicContact CE1-CG 4.4Å; Y110-L301 HydrophobicContact CE1-CB 3.86Å; Y110-E302 HydrophobicContact CE1-CG 3.78Å; Y110-E302 HydrophobicContact CE2-CG 4.3Å; Y110-E302 WeakPolarHBondContact OH-CA 3.38Å; Y110-E302 WeakPolarHBondContact OH-CG 3.41Å |
| 111 | T | 87.8 | Confident | 92.3 | Very high | 11 Ų | 11 | 49.5 Ų | 49.5 | 7% | 0.067 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -75.3 | -21.9 | -179.4 | 57.7 | 0 | 0 | 0 | 0 | 113.5 | I107 R113 Y297 R298 L301 | I107-T111 HydrophobicContact CG2-CG2 4.49Å; I107-T111 WeakPolarHBondContact O-CB 3.37Å; I107-T111 WeakPolarHBondContact O-CG2 3.25Å; I107-T111 PolarHBondContact O-N 2.88Å; I107-T111 PolarHBondContact O-OG1 2.91Å; T111-R113 PolarHBondContact O-N 2.69Å; T111-Y297 HydrophobicContact CG2-CD1 3.86Å; T111-Y297 HydrophobicContact CG2-CE1 4.03Å; T111-R298 HydrophobicContact CG2-CB 4.26Å; T111-L301 HydrophobicContact CG2-CD1 4.22Å |
| 112 | R | 87.4 | Confident | 92.6 | Very high | 176 Ų | 176 | 49.4 Ų | 49.4 | 66% | 0.664 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.2 | 34.3 | 179.7 | -59.7 | -175.5 | 172.7 | -163.9 | -5 | 113.9 | Y108 L109 Y110 | Y108-R112 WeakPolarHBondContact O-CA 3.34Å; Y108-R112 PolarHBondContact O-N 3.33Å; L109-R112 VanDerWaalsContact O-CG 3.23Å; L109-R112 WeakPolarHBondContact O-CG 3.2Å; Y110-R112 VanDerWaalsContact C-N 3.35Å |
| 113 | R | 83.4 | Confident | 92.9 | Very high | 122 Ų | 122 | 46.2 Ų | 46.2 | 46% | 0.46 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -133.5 | 134.1 | 179.7 | -72.7 | -177.6 | 174.3 | -159.8 | -3 | 110.2 | T111 Y297 | T111-R113 PolarHBondContact O-N 2.69Å; R113-Y297 VanDerWaalsContact CZ-OH 3.29Å; R113-Y297 PolarHBondContact NE-OH 3.11Å |
| 114 | P | 91.3 | Very high | 93.1 | Very high | 54 Ų | 54 | 46 Ų | 46 | 35% | 0.351 | 21% | 0.213 | S | C | . | . | P | Polyproline II helix | trans | -50.4 | 144.8 | 164.7 | -29.8 | 38.5 | 0 | 0 | 0 | 111.7 | A216 L218 W250 | P114-A216 WeakPolarHBondContact CB-O 3.42Å; P114-L218 HydrophobicContact CG-CD1 4.47Å; P114-L218 HydrophobicContact CG-CG 4.35Å; P114-W250 HydrophobicContact CB-CH2 4.38Å |
| 115 | L | 94.5 | Very high | 93.2 | Very high | 8 Ų | 8 | 48.4 Ų | 48.4 | 4% | 0.042 | 22% | 0.222 | C | C | . | . | P | Polyproline II helix | trans | -77.5 | 152.6 | 177.1 | -55.3 | -172 | 0 | 0 | 0 | 111.2 | M104 I120 Y215 L294 | M104-L115 HydrophobicContact CE-CD1 3.35Å; L115-I120 HydrophobicContact CB-CD1 4.18Å; L115-I120 HydrophobicContact CB-CG1 3.78Å; L115-Y215 HydrophobicContact CD1-CD1 4.25Å; L115-Y215 HydrophobicContact CD1-CD2 4.35Å; L115-Y215 HydrophobicContact CD1-CG 3.94Å; L115-Y215 PolarHBondContact N-O 2.84Å; L115-L294 HydrophobicContact CD1-CD2 4.33Å; L115-L294 HydrophobicContact CD2-CD1 3.83Å; L115-L294 HydrophobicContact CD2-CD2 3.89Å |
| 116 | E | 94.2 | Very high | 93.5 | Very high | 140 Ų | 140 | 46.7 Ų | 46.7 | 65% | 0.654 | 21% | 0.214 | S | C | * | . | P | Polyproline II helix | trans | -72.5 | 147.9 | 175.5 | -64.4 | 173.3 | 173 | 0 | 0 | 110.6 | D118 C119 I120 | E116-D118 VanDerWaalsContact C-N 3.34Å; E116-D118 PolarHBondContact O-N 2.87Å; E116-C119 WeakPolarHBondContact O-CA 3.33Å; E116-C119 WeakPolarHBondContact O-CB 3.41Å; E116-C119 PolarHBondContact O-N 3.36Å; E116-I120 PolarHBondContact O-N 2.81Å |
| 117 | E | 95.8 | Very high | 93.8 | Very high | 45 Ų | 45 | 43.7 Ų | 43.7 | 21% | 0.21 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -56.3 | -43.1 | -174.8 | -80.9 | -168.3 | -145.7 | 0 | 0 | 113.5 | C119 I120 A121 W250 S251 F254 F280 | E117-C119 VanDerWaalsContact C-N 3.29Å; E117-C119 PolarHBondContact O-N 2.76Å; E117-I120 PolarHBondContact O-N 2.97Å; E117-A121 VanDerWaalsContact O-CB 3.31Å; E117-A121 WeakPolarHBondContact O-CB 3.39Å; E117-A121 PolarHBondContact O-N 2.87Å; E117-W250 HydrophobicContact CG-CE3 3.71Å; E117-W250 HydrophobicContact CG-CZ3 3.96Å; E117-W250 VanDerWaalsContact OE1-CA 3.26Å; E117-W250 WeakPolarHBondContact OE1-CA 3.43Å; E117-S251 PolarHBondContact OE1-N 3.05Å; E117-S251 WeakPolarHBondContact OE2-CB 3.44Å; E117-S251 PolarHBondContact OE2-OG 2.84Å; E117-F254 HydrophobicContact CG-CD1 3.75Å; E117-F254 HydrophobicContact CG-CE1 4.29Å; E117-F254 HydrophobicContact CG-CG 4.37Å; E117-F254 WeakPolarHBondContact OE2-CB 3.38Å; E117-F280 HydrophobicContact CB-CE2 4.19Å; E117-F280 HydrophobicContact CG-CE2 4.47Å |
| 118 | D | 96.7 | Very high | 94.2 | Very high | 75 Ų | 75 | 43.7 Ų | 43.7 | 40% | 0.401 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -61.7 | -38 | 176.3 | -77.2 | -36.5 | 0 | 0 | 0 | 111.5 | E116 A121 F122 N283 L286 L290 | E116-D118 VanDerWaalsContact C-N 3.34Å; E116-D118 PolarHBondContact O-N 2.87Å; D118-A121 PolarHBondContact O-N 3.33Å; D118-F122 WeakPolarHBondContact O-CB 3.34Å; D118-F122 PolarHBondContact O-N 2.98Å; D118-N283 PolarHBondContact OD1-ND2 2.88Å; D118-L286 HydrophobicContact CB-CD2 3.66Å; D118-L286 VanDerWaalsContact O-CD2 3.29Å; D118-L286 WeakPolarHBondContact O-CD2 3.43Å; D118-L286 WeakPolarHBondContact OD1-CD2 3.28Å; D118-L290 HydrophobicContact CB-CD1 4.01Å; D118-L290 HydrophobicContact CB-CD2 3.94Å |
| 119 | C | 96.9 | Very high | 94.5 | Very high | 6 Ų | 6 | 46.2 Ų | 46.2 | 4% | 0.041 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66.7 | -40.8 | 175.5 | -169.8 | 0 | 0 | 0 | 0 | 111.5 | E116 E117 V123 L290 | E116-C119 WeakPolarHBondContact O-CA 3.33Å; E116-C119 WeakPolarHBondContact O-CB 3.41Å; E116-C119 PolarHBondContact O-N 3.36Å; E117-C119 VanDerWaalsContact C-N 3.29Å; E117-C119 PolarHBondContact O-N 2.76Å; C119-V123 WeakPolarHBondContact O-CB 3.21Å; C119-V123 VanDerWaalsContact O-CG2 3.26Å; C119-V123 WeakPolarHBondContact O-CG2 3.38Å; C119-V123 PolarHBondContact O-N 3.08Å; C119-L290 HydrophobicContact CB-CB 4.49Å |
| 120 | I | 97.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64 | -43.4 | 174.9 | -63.1 | 175.9 | 0 | 0 | 0 | 110.4 | L115 E116 E117 S124 A212 Y215 A216 F254 F280 | L115-I120 HydrophobicContact CB-CD1 4.18Å; L115-I120 HydrophobicContact CB-CG1 3.78Å; E116-I120 PolarHBondContact O-N 2.81Å; E117-I120 PolarHBondContact O-N 2.97Å; I120-S124 WeakPolarHBondContact O-CB 3.35Å; I120-S124 PolarHBondContact O-N 3.19Å; I120-S124 PolarHBondContact O-OG 3.34Å; I120-A212 HydrophobicContact CG2-CB 4.18Å; I120-Y215 HydrophobicContact CG1-CD2 4.38Å; I120-Y215 HydrophobicContact CG2-CD2 4.39Å; I120-A216 HydrophobicContact CD1-CB 4.14Å; I120-F254 HydrophobicContact CD1-CE1 4.11Å; I120-F254 HydrophobicContact CD1-CZ 3.86Å; I120-F254 HydrophobicContact CG2-CE2 3.82Å; I120-F254 HydrophobicContact CG2-CZ 3.85Å; I120-F280 HydrophobicContact CG2-CE1 4.35Å; I120-F280 HydrophobicContact CG2-CZ 4.34Å |
| 121 | A | 98.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.7 | -46.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | E117 D118 S124 R125 F280 I281 L286 | E117-A121 VanDerWaalsContact O-CB 3.31Å; E117-A121 WeakPolarHBondContact O-CB 3.39Å; E117-A121 PolarHBondContact O-N 2.87Å; D118-A121 PolarHBondContact O-N 3.33Å; A121-S124 PolarHBondContact O-N 3.47Å; A121-R125 WeakPolarHBondContact O-CB 3.3Å; A121-R125 PolarHBondContact O-N 3.25Å; A121-F280 HydrophobicContact CB-CD1 4.05Å; A121-F280 HydrophobicContact CB-CD2 4.39Å; A121-F280 HydrophobicContact CB-CE1 3.72Å; A121-F280 HydrophobicContact CB-CE2 4.08Å; A121-F280 HydrophobicContact CB-CG 4.37Å; A121-F280 HydrophobicContact CB-CZ 3.73Å; A121-F280 WeakPolarHBondContact CB-O 3.33Å; A121-I281 HydrophobicContact CB-CG2 4.12Å; A121-I281 WeakPolarHBondContact O-CG2 3.36Å; A121-L286 HydrophobicContact CB-CD1 3.66Å; A121-L286 HydrophobicContact CB-CD2 4.07Å |
| 122 | F | 98.1 | Very high | 95.6 | Very high | 2 Ų | 2 | 38.5 Ų | 38.5 | 1% | 0.009 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.1 | -54.7 | 175 | 175.2 | -104.1 | 0 | 0 | 0 | 111.3 | D118 S124 R125 E126 V157 L286 T288 L290 T291 | D118-F122 WeakPolarHBondContact O-CB 3.34Å; D118-F122 PolarHBondContact O-N 2.98Å; F122-S124 PolarHBondContact O-N 3.24Å; F122-R125 VanDerWaalsContact CE2-NH2 3.32Å; F122-R125 WeakPolarHBondContact O-CB 3.3Å; F122-R125 PolarHBondContact O-N 3.49Å; F122-E126 HydrophobicContact CD1-CG 4.49Å; F122-E126 HydrophobicContact CD2-CG 4.18Å; F122-E126 HydrophobicContact CE1-CG 4.12Å; F122-E126 HydrophobicContact CE2-CG 3.78Å; F122-E126 HydrophobicContact CZ-CG 3.74Å; F122-E126 WeakPolarHBondContact O-CG 3.45Å; F122-E126 PolarHBondContact O-N 2.82Å; F122-V157 HydrophobicContact CD1-CG2 4.24Å; F122-V157 HydrophobicContact CE1-CG2 3.73Å; F122-L286 HydrophobicContact CB-CB 4.28Å; F122-L286 HydrophobicContact CB-CD2 4.45Å; F122-L286 HydrophobicContact CD2-CB 4.36Å; F122-T288 HydrophobicContact CZ-CG2 4.46Å; F122-L290 HydrophobicContact CB-CD1 3.8Å; F122-L290 HydrophobicContact CG-CD1 4.3Å; F122-T291 HydrophobicContact CD1-CG2 3.89Å; F122-T291 HydrophobicContact CE1-CG2 3.8Å; F122-T291 WeakPolarHBondContact CE1-OG1 3.48Å |
| 123 | V | 98.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -59.3 | -37.5 | 179.5 | 174.6 | 0 | 0 | 0 | 0 | 111.5 | M104 C119 T127 I149 V157 Y215 T291 | M104-V123 HydrophobicContact CE-CG1 4.45Å; M104-V123 HydrophobicContact CE-CG2 3.97Å; M104-V123 HydrophobicContact CG-CG1 4.24Å; M104-V123 HydrophobicContact SD-CG1 4.43Å; M104-V123 HydrophobicContact SD-CG2 4.18Å; C119-V123 WeakPolarHBondContact O-CB 3.21Å; C119-V123 VanDerWaalsContact O-CG2 3.26Å; C119-V123 WeakPolarHBondContact O-CG2 3.38Å; C119-V123 PolarHBondContact O-N 3.08Å; V123-T127 VanDerWaalsContact O-CB 3.3Å; V123-T127 WeakPolarHBondContact O-CB 3.33Å; V123-T127 PolarHBondContact O-N 2.93Å; V123-T127 PolarHBondContact O-OG1 2.55Å; V123-I149 HydrophobicContact CG1-CG2 3.95Å; V123-V157 HydrophobicContact CG1-CG1 4.09Å; V123-V157 HydrophobicContact CG2-CG2 3.99Å; V123-Y215 HydrophobicContact CB-CE2 4.37Å; V123-Y215 HydrophobicContact CG1-CE2 3.68Å; V123-T291 HydrophobicContact CG2-CG2 3.83Å |
| 124 | S | 98.4 | Very high | 96.2 | Very high | 4 Ų | 4 | 25.9 Ų | 25.9 | 3% | 0.028 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -65.5 | -40.9 | 174.6 | -60.5 | 0 | 0 | 0 | 0 | 112.6 | I120 A121 F122 L128 | I120-S124 WeakPolarHBondContact O-CB 3.35Å; I120-S124 PolarHBondContact O-N 3.19Å; I120-S124 PolarHBondContact O-OG 3.34Å; A121-S124 PolarHBondContact O-N 3.47Å; F122-S124 PolarHBondContact O-N 3.24Å; S124-L128 WeakPolarHBondContact O-CB 3.45Å; S124-L128 WeakPolarHBondContact O-CD1 3.33Å; S124-L128 VanDerWaalsContact O-CG 3.28Å; S124-L128 WeakPolarHBondContact O-CG 3.37Å; S124-L128 PolarHBondContact O-N 3.36Å |
| 125 | R | 98.2 | Very high | 96.1 | Very high | 49 Ų | 49 | 25.1 Ų | 25.1 | 19% | 0.185 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -60.4 | -53.7 | 176.9 | -169.8 | -175.7 | 70.5 | -160.4 | -0.6 | 111.7 | A121 F122 T127 L128 Q129 L276 I281 L286 | A121-R125 WeakPolarHBondContact O-CB 3.3Å; A121-R125 PolarHBondContact O-N 3.25Å; F122-R125 VanDerWaalsContact CE2-NH2 3.32Å; F122-R125 WeakPolarHBondContact O-CB 3.3Å; F122-R125 PolarHBondContact O-N 3.49Å; R125-T127 VanDerWaalsContact C-N 3.3Å; R125-T127 PolarHBondContact O-N 2.84Å; R125-L128 PolarHBondContact O-N 3.41Å; R125-L128 VanDerWaalsContact O-N 3.14Å; R125-Q129 WeakPolarHBondContact O-CG 3.33Å; R125-Q129 PolarHBondContact O-N 2.77Å; R125-L276 HydrophobicContact CG-CD2 4.16Å; R125-I281 HydrophobicContact CB-CB 4.12Å; R125-I281 HydrophobicContact CB-CD1 4.24Å; R125-I281 WeakPolarHBondContact CD-O 3.49Å; R125-I281 HydrophobicContact CG-CD1 4.33Å; R125-L286 PolarHBondContact NH1-O 2.9Å; R125-L286 PolarHBondContact NH2-O 2.71Å |
| 126 | E | 98.1 | Very high | 95.9 | Very high | 21 Ų | 21 | 30.4 Ų | 30.4 | 10% | 0.098 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63.1 | -38.8 | -178 | -58 | -56.5 | 117.8 | 0 | 0 | 111 | N78 F122 Q129 G130 V157 | N78-E126 WeakPolarHBondContact CB-O 3.48Å; N78-E126 WeakPolarHBondContact ND2-CB 3.43Å; N78-E126 PolarHBondContact ND2-OE2 2.93Å; F122-E126 HydrophobicContact CD1-CG 4.49Å; F122-E126 HydrophobicContact CD2-CG 4.18Å; F122-E126 HydrophobicContact CE1-CG 4.12Å; F122-E126 HydrophobicContact CE2-CG 3.78Å; F122-E126 HydrophobicContact CZ-CG 3.74Å; F122-E126 WeakPolarHBondContact O-CG 3.45Å; F122-E126 PolarHBondContact O-N 2.82Å; E126-Q129 PolarHBondContact O-N 2.93Å; E126-Q129 PolarHBondContact OE2-OE1 3.16Å; E126-G130 PolarHBondContact O-N 3.23Å; E126-V157 HydrophobicContact CB-CB 3.63Å; E126-V157 HydrophobicContact CB-CG1 3.92Å; E126-V157 HydrophobicContact CB-CG2 4.15Å; E126-V157 HydrophobicContact CG-CB 4.1Å; E126-V157 HydrophobicContact CG-CG2 4.15Å |
| 127 | T | 98.2 | Very high | 95.4 | Very high | 6 Ų | 6 | 29.7 Ų | 29.7 | 4% | 0.037 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -61.1 | -45.8 | 172.3 | -58.7 | 0 | 0 | 0 | 0 | 111.7 | V123 R125 Q129 G130 L131 I149 V159 V208 | V123-T127 VanDerWaalsContact O-CB 3.3Å; V123-T127 WeakPolarHBondContact O-CB 3.33Å; V123-T127 PolarHBondContact O-N 2.93Å; V123-T127 PolarHBondContact O-OG1 2.55Å; R125-T127 VanDerWaalsContact C-N 3.3Å; R125-T127 PolarHBondContact O-N 2.84Å; T127-Q129 VanDerWaalsContact C-N 3.33Å; T127-Q129 PolarHBondContact O-N 2.84Å; T127-G130 PolarHBondContact O-N 3.19Å; T127-L131 HydrophobicContact CG2-CD1 4.19Å; T127-L131 WeakPolarHBondContact O-CG 3.39Å; T127-L131 PolarHBondContact O-N 3.3Å; T127-I149 HydrophobicContact CG2-CD1 3.71Å; T127-V159 HydrophobicContact CG2-CG2 4.1Å; T127-V208 HydrophobicContact CG2-CG2 4.02Å |
| 128 | L | 98.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -67.3 | -30.4 | 178.7 | -76.9 | 165 | 0 | 0 | 0 | 113 | S124 R125 L131 N132 I205 V208 F257 A272 M275 L276 I281 | S124-L128 WeakPolarHBondContact O-CB 3.45Å; S124-L128 WeakPolarHBondContact O-CD1 3.33Å; S124-L128 VanDerWaalsContact O-CG 3.28Å; S124-L128 WeakPolarHBondContact O-CG 3.37Å; S124-L128 PolarHBondContact O-N 3.36Å; R125-L128 PolarHBondContact O-N 3.41Å; R125-L128 VanDerWaalsContact O-N 3.14Å; L128-L131 HydrophobicContact CD2-CD1 4.49Å; L128-N132 VanDerWaalsContact O-CB 3.24Å; L128-N132 WeakPolarHBondContact O-CB 3.24Å; L128-N132 PolarHBondContact O-N 3.01Å; L128-I205 HydrophobicContact CD2-CD1 3.59Å; L128-V208 HydrophobicContact CD1-CG1 4.47Å; L128-V208 HydrophobicContact CD2-CG2 4.26Å; L128-V208 HydrophobicContact CG-CG1 4.35Å; L128-F257 HydrophobicContact CD1-CE2 4.05Å; L128-F257 HydrophobicContact CD1-CZ 3.98Å; L128-A272 HydrophobicContact CD2-CB 4.38Å; L128-M275 HydrophobicContact CD1-CB 3.82Å; L128-M275 HydrophobicContact CD2-CB 4.02Å; L128-L276 HydrophobicContact CB-CD2 3.73Å; L128-L276 HydrophobicContact CB-CG 4Å; L128-I281 HydrophobicContact CD1-CD1 3.6Å |
| 129 | Q | 97.7 | Very high | 93.6 | Very high | 59 Ų | 59 | 29.5 Ų | 29.5 | 28% | 0.276 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -64.8 | -45.3 | 171.6 | -69.1 | 166.6 | -15.2 | 0 | 0 | 111.2 | N78 R125 E126 T127 N132 F133 L276 | N78-Q129 PolarHBondContact OD1-OE1 2.91Å; R125-Q129 WeakPolarHBondContact O-CG 3.33Å; R125-Q129 PolarHBondContact O-N 2.77Å; E126-Q129 PolarHBondContact O-N 2.93Å; E126-Q129 PolarHBondContact OE2-OE1 3.16Å; T127-Q129 VanDerWaalsContact C-N 3.33Å; T127-Q129 PolarHBondContact O-N 2.84Å; Q129-N132 PolarHBondContact O-N 3.24Å; Q129-F133 PolarHBondContact O-N 2.8Å; Q129-F133 VanDerWaalsContact O-N 3.1Å; Q129-L276 HydrophobicContact CG-CD1 4.34Å; Q129-L276 HydrophobicContact CG-CD2 3.77Å |
| 130 | G | 95.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59.8 | -46.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | E126 T127 F133 M134 | E126-G130 PolarHBondContact O-N 3.23Å; T127-G130 PolarHBondContact O-N 3.19Å; G130-F133 WeakPolarHBondContact O-CB 3.35Å; G130-F133 PolarHBondContact O-N 2.82Å; G130-M134 PolarHBondContact O-N 2.81Å; G130-M134 VanDerWaalsContact O-N 3.16Å |
| 131 | L | 94.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62.5 | -43.3 | 176.3 | -73.3 | 174.1 | 0 | 0 | 0 | 112.6 | T127 L128 F133 M134 H135 H141 I144 D204 V208 A272 | T127-L131 HydrophobicContact CG2-CD1 4.19Å; T127-L131 WeakPolarHBondContact O-CG 3.39Å; T127-L131 PolarHBondContact O-N 3.3Å; L128-L131 HydrophobicContact CD2-CD1 4.49Å; L131-F133 VanDerWaalsContact C-N 3.29Å; L131-F133 PolarHBondContact O-N 3.07Å; L131-M134 HydrophobicContact CD2-SD 4.47Å; L131-M134 WeakPolarHBondContact O-CB 3.44Å; L131-M134 PolarHBondContact O-N 2.88Å; L131-M134 VanDerWaalsContact O-N 3.1Å; L131-H135 WeakPolarHBondContact O-CB 3.23Å; L131-H135 PolarHBondContact O-CD2 3.27Å; L131-H135 PolarHBondContact O-N 3.5Å; L131-H141 HydrophobicContact CD2-CB 3.95Å; L131-I144 HydrophobicContact CD1-CD1 4.4Å; L131-I144 HydrophobicContact CD1-CG1 4.31Å; L131-I144 HydrophobicContact CD2-CD1 3.98Å; L131-I144 HydrophobicContact CD2-CG1 4.16Å; L131-I144 HydrophobicContact CG-CD1 4.46Å; L131-D204 HydrophobicContact CD1-CB 3.94Å; L131-D204 HydrophobicContact CD2-CB 3.7Å; L131-D204 HydrophobicContact CG-CB 4.43Å; L131-V208 HydrophobicContact CD1-CG2 3.56Å; L131-A272 HydrophobicContact CB-CB 4.36Å |
| 132 | N | 95.6 | Very high | 91.3 | Very high | 41 Ų | 41 | 35.1 Ų | 35.1 | 22% | 0.219 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -58 | -42.4 | 175.8 | -172.5 | 38.8 | 0 | 0 | 0 | 111.4 | L128 Q129 M134 H135 N136 A272 L276 | L128-N132 VanDerWaalsContact O-CB 3.24Å; L128-N132 WeakPolarHBondContact O-CB 3.24Å; L128-N132 PolarHBondContact O-N 3.01Å; Q129-N132 PolarHBondContact O-N 3.24Å; N132-M134 VanDerWaalsContact C-N 3.33Å; N132-M134 PolarHBondContact O-N 3.01Å; N132-H135 PolarHBondContact O-N 2.97Å; N132-N136 WeakPolarHBondContact O-CB 3.25Å; N132-N136 PolarHBondContact O-N 2.83Å; N132-N136 VanDerWaalsContact O-N 3.11Å; N132-N136 PolarHBondContact O-ND2 3.45Å; N132-N136 PolarHBondContact OD1-ND2 2.82Å; N132-A272 HydrophobicContact CB-CB 3.67Å; N132-L276 HydrophobicContact CB-CD1 3.98Å |
| 133 | F | 93.7 | Very high | 90.6 | Very high | 33 Ų | 33 | 36.1 Ų | 36.1 | 15% | 0.145 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.5 | -38.6 | 175.7 | 177.7 | -79.1 | 0 | 0 | 0 | 112.9 | R75 H76 I79 Q129 G130 L131 R137 | R75-F133 VanDerWaalsContact O-CE2 3.3Å; R75-F133 WeakPolarHBondContact O-CE2 3.22Å; R75-F133 WeakPolarHBondContact O-CZ 3.48Å; H76-F133 HydrophobicContact CB-CB 4.31Å; H76-F133 HydrophobicContact CB-CD1 4Å; H76-F133 HydrophobicContact CB-CD2 3.93Å; H76-F133 HydrophobicContact CB-CE1 4.32Å; H76-F133 HydrophobicContact CB-CE2 4.19Å; H76-F133 HydrophobicContact CB-CG 3.81Å; H76-F133 HydrophobicContact CB-CZ 4.38Å; H76-F133 AromaticContact CD2-CD2 3.34Å; H76-F133 WeakPolarHBondContact CD2-CD2 3.49Å; H76-F133 AromaticContact CD2-CG 3.71Å; H76-F133 AromaticContact CG-CD2 3.86Å; H76-F133 AromaticContact CG-CG 3.83Å; I79-F133 HydrophobicContact CD1-CD1 3.96Å; Q129-F133 PolarHBondContact O-N 2.8Å; Q129-F133 VanDerWaalsContact O-N 3.1Å; G130-F133 WeakPolarHBondContact O-CB 3.35Å; G130-F133 PolarHBondContact O-N 2.82Å; L131-F133 VanDerWaalsContact C-N 3.29Å; L131-F133 PolarHBondContact O-N 3.07Å; F133-R137 PolarHBondContact O-NH1 2.71Å |
| 134 | M | 90 | Very high | 90.3 | Very high | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -70.3 | -47.9 | 176.1 | -68.7 | -178.4 | 71.9 | 0 | 0 | 112.5 | I79 G130 L131 N132 N136 R137 G138 R139 H141 F162 | I79-M134 HydrophobicContact CD1-CG 3.87Å; I79-M134 HydrophobicContact CD1-SD 4.49Å; G130-M134 PolarHBondContact O-N 2.81Å; G130-M134 VanDerWaalsContact O-N 3.16Å; L131-M134 HydrophobicContact CD2-SD 4.47Å; L131-M134 WeakPolarHBondContact O-CB 3.44Å; L131-M134 PolarHBondContact O-N 2.88Å; L131-M134 VanDerWaalsContact O-N 3.1Å; N132-M134 VanDerWaalsContact C-N 3.33Å; N132-M134 PolarHBondContact O-N 3.01Å; M134-N136 VanDerWaalsContact C-N 3.31Å; M134-N136 PolarHBondContact O-N 2.79Å; M134-R137 CarbonylContact O-C 3.52Å; M134-R137 WeakPolarHBondContact O-CA 3.03Å; M134-R137 WeakPolarHBondContact O-CB 3.48Å; M134-R137 PolarHBondContact O-N 3.49Å; M134-G138 PolarHBondContact O-N 3.37Å; M134-R139 CarbonylContact C-O 3.5Å; M134-R139 HydrophobicContact CB-CB 4.24Å; M134-R139 HydrophobicContact CE-CB 4.17Å; M134-R139 PolarHBondContact O-N 3.07Å; M134-H141 HydrophobicContact CE-CB 4.23Å; M134-H141 HydrophobicContact SD-CB 4.37Å; M134-F162 HydrophobicContact CE-CD1 3.43Å; M134-F162 VanDerWaalsContact CE-CD1 3.43Å; M134-F162 HydrophobicContact CE-CE1 3.82Å; M134-F162 HydrophobicContact CE-CG 4.29Å; M134-F162 HydrophobicContact SD-CD1 3.71Å; M134-F162 HydrophobicContact SD-CE1 3.45Å; M134-F162 WeakPolarHBondContact SD-CE1 3.41Å |
| 135 | H | 89.7 | Confident | 90.1 | Very high | 37 Ų | 37 | 37.5 Ų | 37.5 | 17% | 0.171 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.2 | -40.3 | -176.2 | -66.1 | 177 | 0 | 0 | 0 | 111.1 | L131 N132 R137 G138 R139 G201 D204 | L131-H135 WeakPolarHBondContact O-CB 3.23Å; L131-H135 PolarHBondContact O-CD2 3.27Å; L131-H135 PolarHBondContact O-N 3.5Å; N132-H135 PolarHBondContact O-N 2.97Å; H135-R137 PolarHBondContact O-N 3.21Å; H135-R137 VanDerWaalsContact O-N 3.11Å; H135-G138 PolarHBondContact O-N 2.93Å; H135-R139 PolarHBondContact CD2-O 3.35Å; H135-G201 PolarHBondContact CE1-O 3.46Å; H135-G201 PolarHBondContact NE2-O 2.81Å; H135-D204 IonicContact CD2-OD2 3.9Å; H135-D204 IonicContact CE1-OD2 3.83Å; H135-D204 IonicContact NE2-OD2 3.01Å; H135-D204 PolarHBondContact NE2-OD2 2.88Å |
| 136 | N | 89.3 | Confident | 89.8 | Confident | 120 Ų | 120 | 35.1 Ų | 35.1 | 64% | 0.642 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -7.2 | 173.6 | -70.8 | -50.2 | 0 | 0 | 0 | 114.4 | N132 M134 | N132-N136 WeakPolarHBondContact O-CB 3.25Å; N132-N136 PolarHBondContact O-N 2.83Å; N132-N136 VanDerWaalsContact O-N 3.11Å; N132-N136 PolarHBondContact O-ND2 3.45Å; N132-N136 PolarHBondContact OD1-ND2 2.82Å; M134-N136 VanDerWaalsContact C-N 3.31Å; M134-N136 PolarHBondContact O-N 2.79Å |
| 137 | R | 83.6 | Confident | 89.4 | Confident | 125 Ų | 125 | 35.5 Ų | 35.5 | 47% | 0.472 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.3 | 9.5 | 170.8 | -73 | 175.9 | 168.4 | 66.7 | 4.4 | 113.2 | F133 M134 H135 R139 | F133-R137 PolarHBondContact O-NH1 2.71Å; M134-R137 CarbonylContact O-C 3.52Å; M134-R137 WeakPolarHBondContact O-CA 3.03Å; M134-R137 WeakPolarHBondContact O-CB 3.48Å; M134-R137 PolarHBondContact O-N 3.49Å; H135-R137 PolarHBondContact O-N 3.21Å; H135-R137 VanDerWaalsContact O-N 3.11Å; R137-R139 HydrophobicContact CB-CG 4.13Å; R137-R139 PolarHBondContact O-N 2.84Å |
| 138 | G | 77.7 | Confident | 89.2 | Confident | 66 Ų | 66 | 35.8 Ų | 35.8 | 68% | 0.68 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 65.8 | 22.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | M134 H135 | M134-G138 PolarHBondContact O-N 3.37Å; H135-G138 PolarHBondContact O-N 2.93Å |
| 139 | R | 78.2 | Confident | 89.1 | Confident | 49 Ų | 49 | 35.8 Ų | 35.8 | 19% | 0.185 | 19% | 0.185 | C | C | . | . | trans | -101.3 | 147.1 | 174.3 | -50.3 | -59.9 | -170.6 | -162.7 | 5.8 | 109.1 | H69 T70 E73 M134 H135 R137 | H69-R139 PolarHBondContact CD2-NH2 3.03Å; H69-R139 PolarHBondContact NE2-NH2 2.97Å; T70-R139 HydrophobicContact CG2-CB 4.29Å; T70-R139 HydrophobicContact CG2-CG 3.97Å; E73-R139 IonicContact OE1-NH2 2.63Å; E73-R139 IonicContact OE2-CZ 3.31Å; E73-R139 IonicContact OE2-NE 2.68Å; E73-R139 PolarHBondContact OE2-NE 3.24Å; E73-R139 IonicContact OE2-NH2 2.8Å; E73-R139 PolarHBondContact OE2-NH2 2.86Å; M134-R139 CarbonylContact C-O 3.5Å; M134-R139 HydrophobicContact CB-CB 4.24Å; M134-R139 HydrophobicContact CE-CB 4.17Å; M134-R139 PolarHBondContact O-N 3.07Å; H135-R139 PolarHBondContact CD2-O 3.35Å; R137-R139 HydrophobicContact CB-CG 4.13Å; R137-R139 PolarHBondContact O-N 2.84Å | ||
| 140 | I | 79.5 | Confident | 89 | Confident | 39 Ų | 39 | 34.9 Ų | 34.9 | 20% | 0.2 | 18% | 0.182 | C | C | . | . | trans | -133 | 139.4 | -177.6 | -54.7 | 174.1 | 0 | 0 | 0 | 107.6 | R142 Y199 C203 D204 | I140-R142 HydrophobicContact CB-CG 4.3Å; I140-R142 HydrophobicContact CG2-CG 3.79Å; I140-Y199 HydrophobicContact CD1-CD2 4.32Å; I140-Y199 HydrophobicContact CD1-CE2 4.44Å; I140-Y199 HydrophobicContact CG2-CE2 4.3Å; I140-C203 VanDerWaalsContact CG2-SG 3.51Å; I140-D204 WeakPolarHBondContact CG2-OD2 3.42Å | ||
| 141 | H | 84.5 | Confident | 89.1 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.182 | C | C | . | . | trans | -83.3 | -42.7 | -173.5 | -166.3 | -52.6 | 0 | 0 | 0 | 114.2 | L131 M134 D143 I144 V159 A160 D161 F162 G163 D204 | L131-H141 HydrophobicContact CD2-CB 3.95Å; M134-H141 HydrophobicContact CE-CB 4.23Å; M134-H141 HydrophobicContact SD-CB 4.37Å; H141-D143 PolarHBondContact O-N 3.21Å; H141-I144 HydrophobicContact CB-CD1 4.03Å; H141-I144 HydrophobicContact CB-CG1 4.05Å; H141-I144 VanDerWaalsContact CD2-CD1 3.41Å; H141-I144 WeakPolarHBondContact CD2-CD1 3.27Å; H141-V159 WeakPolarHBondContact CD2-CG1 3.49Å; H141-V159 WeakPolarHBondContact NE2-CG1 3.42Å; H141-A160 PolarHBondContact CE1-O 3.48Å; H141-A160 PolarHBondContact NE2-O 2.92Å; H141-D161 PolarHBondContact CE1-O 2.86Å; H141-D161 VanDerWaalsContact CE1-O 3.23Å; H141-F162 AromaticContact CD2-CD1 3.34Å; H141-F162 WeakPolarHBondContact CD2-CD1 3.45Å; H141-F162 AromaticContact CD2-CE1 3.52Å; H141-F162 AromaticContact CG-CD1 3.98Å; H141-F162 AromaticContact NE2-CD1 3.54Å; H141-F162 AromaticContact NE2-CE1 3.71Å; H141-G163 VanDerWaalsContact O-CA 3.22Å; H141-G163 WeakPolarHBondContact O-CA 3.22Å; H141-G163 PolarHBondContact O-N 2.94Å; H141-D204 WeakPolarHBondContact CB-OD1 3.4Å; H141-D204 PolarHBondContact N-OD1 2.95Å; H141-D204 PolarHBondContact N-OD2 2.71Å | ||
| 142 | R | 80.9 | Confident | 89.1 | Confident | 86 Ų | 86 | 35.5 Ų | 35.5 | 33% | 0.325 | 19% | 0.185 | S | C | . | . | S | Bend | trans | 70.6 | -1.7 | 173.1 | -49.5 | 171.8 | 169.8 | 172.9 | -8.9 | 117.1 | I140 Y199 D204 | I140-R142 HydrophobicContact CB-CG 4.3Å; I140-R142 HydrophobicContact CG2-CG 3.79Å; R142-Y199 WeakPolarHBondContact CD-OH 3.4Å; R142-Y199 HydrophobicContact CG-CE2 4Å; R142-Y199 PolarHBondContact NE-OH 3.42Å; R142-D204 PolarHBondContact N-OD1 3.5Å |
| 143 | D | 83.2 | Confident | 89 | Confident | 23 Ų | 23 | 36.8 Ų | 36.8 | 12% | 0.123 | 19% | 0.193 | C | C | . | . | trans | -151.3 | 52.2 | -175.2 | -165.3 | 31.3 | 0 | 0 | 0 | 111.3 | H141 K145 N148 | H141-D143 PolarHBondContact O-N 3.21Å; D143-K145 WeakPolarHBondContact OD1-CE 3.42Å; D143-K145 IonicContact OD1-NZ 3.15Å; D143-K145 PolarHBondContact OD1-NZ 3.34Å; D143-K145 WeakPolarHBondContact OD2-CE 3.31Å; D143-K145 IonicContact OD2-NZ 2.71Å; D143-K145 PolarHBondContact OD2-NZ 2.76Å; D143-N148 PolarHBondContact O-ND2 3.27Å; D143-N148 PolarHBondContact OD2-ND2 3.23Å | ||
| 144 | I | 92 | Very high | 89 | Confident | 4 Ų | 4 | 40 Ų | 40 | 2% | 0.021 | 21% | 0.211 | C | C | . | . | trans | -83.4 | 115.3 | 177.1 | -65.9 | -67.4 | 0 | 0 | 0 | 109.9 | L131 H141 V159 W184 D204 V208 T211 | L131-I144 HydrophobicContact CD1-CD1 4.4Å; L131-I144 HydrophobicContact CD1-CG1 4.31Å; L131-I144 HydrophobicContact CD2-CD1 3.98Å; L131-I144 HydrophobicContact CD2-CG1 4.16Å; L131-I144 HydrophobicContact CG-CD1 4.46Å; H141-I144 HydrophobicContact CB-CD1 4.03Å; H141-I144 HydrophobicContact CB-CG1 4.05Å; H141-I144 VanDerWaalsContact CD2-CD1 3.41Å; H141-I144 WeakPolarHBondContact CD2-CD1 3.27Å; I144-V159 HydrophobicContact CD1-CG1 3.98Å; I144-W184 VanDerWaalsContact O-CD1 3.24Å; I144-D204 HydrophobicContact CG1-CB 4.23Å; I144-V208 HydrophobicContact CG2-CG2 3.94Å; I144-T211 PolarHBondContact O-OG1 3.38Å | ||
| 145 | K | 93 | Very high | 89.3 | Confident | 28 Ų | 28 | 40 Ų | 40 | 12% | 0.122 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -158.4 | 162.6 | -178.2 | 60.8 | -169.4 | 177.6 | -148.7 | 0 | 110.4 | D143 A147 N148 W184 T211 | D143-K145 WeakPolarHBondContact OD1-CE 3.42Å; D143-K145 IonicContact OD1-NZ 3.15Å; D143-K145 PolarHBondContact OD1-NZ 3.34Å; D143-K145 WeakPolarHBondContact OD2-CE 3.31Å; D143-K145 IonicContact OD2-NZ 2.71Å; D143-K145 PolarHBondContact OD2-NZ 2.76Å; K145-A147 HydrophobicContact CG-CB 4.23Å; K145-A147 PolarHBondContact O-N 2.79Å; K145-A147 VanDerWaalsContact O-N 3.09Å; K145-N148 HydrophobicContact CG-CB 4.26Å; K145-N148 PolarHBondContact O-N 2.85Å; K145-W184 HydrophobicContact CB-CD2 3.72Å; K145-W184 VanDerWaalsContact CB-CE2 3.42Å; K145-W184 HydrophobicContact CB-CE3 4.41Å; K145-W184 HydrophobicContact CB-CG 3.87Å; K145-W184 HydrophobicContact CB-CZ2 3.88Å; K145-T211 WeakPolarHBondContact CA-OG1 3.24Å |
| 146 | G | 93 | Very high | 89.6 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -59.2 | -23.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 116 | M104 Q105 E214 | M104-G146 PolarHBondContact N-O 2.97Å; Q105-G146 PolarHBondContact N-O 3.07Å; Q105-G146 VanDerWaalsContact N-O 3.07Å; G146-E214 VanDerWaalsContact CA-OE1 3.25Å; G146-E214 WeakPolarHBondContact CA-OE1 3.22Å; G146-E214 PolarHBondContact N-OE1 3.23Å; G146-E214 VanDerWaalsContact N-OE1 3.11Å; G146-E214 PolarHBondContact N-OE2 2.95Å |
| 147 | A | 89.7 | Confident | 90.1 | Very high | 28 Ų | 28 | 36.9 Ų | 36.9 | 23% | 0.231 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -68.6 | -31.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | S103 Q105 K145 | S103-A147 VanDerWaalsContact CB-O 3.27Å; S103-A147 WeakPolarHBondContact CB-O 3.47Å; Q105-A147 HydrophobicContact CB-CB 4.45Å; K145-A147 HydrophobicContact CG-CB 4.23Å; K145-A147 PolarHBondContact O-N 2.79Å; K145-A147 VanDerWaalsContact O-N 3.09Å |
| 148 | N | 92.4 | Very high | 90.7 | Very high | 13 Ų | 13 | 31.8 Ų | 31.8 | 7% | 0.07 | 17% | 0.174 | C | C | . | . | G | 310 helix | trans | -96.3 | 5.7 | -174.1 | -69 | 3.5 | 0 | 0 | 0 | 112.7 | D143 K145 A160 | D143-N148 PolarHBondContact O-ND2 3.27Å; D143-N148 PolarHBondContact OD2-ND2 3.23Å; K145-N148 HydrophobicContact CG-CB 4.26Å; K145-N148 PolarHBondContact O-N 2.85Å; N148-A160 PolarHBondContact O-N 3.38Å |
| 149 | I | 96.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 112.5 | 172.3 | -53.2 | -58.5 | 0 | 0 | 0 | 108 | S103 M104 V123 T127 V157 V159 | S103-I149 CarbonylContact C-O 3.58Å; S103-I149 WeakPolarHBondContact CA-O 3.38Å; M104-I149 HydrophobicContact CG-CB 4.05Å; M104-I149 HydrophobicContact CG-CG2 3.79Å; M104-I149 PolarHBondContact N-O 3.03Å; V123-I149 HydrophobicContact CG1-CG2 3.95Å; T127-I149 HydrophobicContact CG2-CD1 3.71Å; I149-V157 HydrophobicContact CG2-CG1 3.63Å; I149-V159 HydrophobicContact CD1-CG2 3.97Å |
| 150 | L | 96.3 | Very high | 92 | Very high | 39 Ų | 39 | 26.6 Ų | 26.6 | 20% | 0.204 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 155.2 | -175.8 | -49.7 | -175.7 | 0 | 0 | 0 | 111.8 | V80 C99 Q102 K158 A160 | V80-L150 HydrophobicContact CG2-CD1 4.15Å; C99-L150 HydrophobicContact CB-CB 3.61Å; C99-L150 HydrophobicContact CB-CD1 3.86Å; C99-L150 HydrophobicContact CB-CG 4.39Å; Q102-L150 WeakPolarHBondContact O-CA 3.26Å; L150-K158 PolarHBondContact N-O 3.09Å; L150-K158 PolarHBondContact O-N 3.36Å; L150-A160 HydrophobicContact CD1-CB 3.75Å; L150-A160 HydrophobicContact CG-CB 3.87Å |
| 151 | L | 97.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 140.6 | 169.1 | -60.5 | -170.2 | 0 | 0 | 0 | 112 | C99 G101 Q102 M104 I107 H156 V157 T291 L295 | C99-L151 CarbonylContact C-O 3.59Å; C99-L151 WeakPolarHBondContact CA-O 3.28Å; C99-L151 WeakPolarHBondContact CB-O 3.35Å; G101-L151 VanDerWaalsContact CA-O 3.3Å; G101-L151 WeakPolarHBondContact CA-O 3.44Å; G101-L151 PolarHBondContact N-O 2.89Å; Q102-L151 PolarHBondContact O-N 3.07Å; M104-L151 HydrophobicContact SD-CD1 3.92Å; M104-L151 HydrophobicContact SD-CD2 3.82Å; M104-L151 HydrophobicContact SD-CG 3.79Å; I107-L151 HydrophobicContact CD1-CD1 3.5Å; I107-L151 HydrophobicContact CD1-CG 3.97Å; L151-H156 WeakPolarHBondContact CA-O 3.13Å; L151-V157 HydrophobicContact CD2-CB 4.28Å; L151-V157 HydrophobicContact CD2-CG2 3.68Å; L151-T291 HydrophobicContact CD1-CG2 3.95Å; L151-T291 HydrophobicContact CD2-CG2 3.78Å; L151-L295 HydrophobicContact CB-CD1 4.34Å; L151-L295 HydrophobicContact CD1-CD1 4.11Å; L151-L295 HydrophobicContact CD1-CD2 4.05Å; L151-L295 HydrophobicContact CD1-CG 3.93Å |
| 152 | T | 95.9 | Very high | 91 | Very high | 13 Ų | 13 | 28.1 Ų | 28.1 | 8% | 0.08 | 14% | 0.143 | C | C | . | . | trans | -70.1 | 167.7 | 161.4 | 72.3 | 0 | 0 | 0 | 0 | 110.9 | D154 G155 H156 K158 L295 | T152-D154 PolarHBondContact O-N 2.68Å; T152-D154 PolarHBondContact OG1-N 2.85Å; T152-G155 PolarHBondContact O-N 3.33Å; T152-G155 PolarHBondContact OG1-N 3.22Å; T152-H156 HydrophobicContact CG2-CB 3.99Å; T152-H156 PolarHBondContact N-O 2.78Å; T152-H156 PolarHBondContact OG1-N 2.84Å; T152-H156 VanDerWaalsContact OG1-N 3.09Å; T152-K158 HydrophobicContact CG2-CD 3.75Å; T152-K158 VanDerWaalsContact CG2-CE 3.46Å; T152-L295 WeakPolarHBondContact O-CD1 3.48Å | ||
| 153 | D | 92.8 | Very high | 89.7 | Confident | 69 Ų | 69 | 24.3 Ų | 24.3 | 37% | 0.369 | 13% | 0.13 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -25.4 | 174.5 | -86.2 | -65.4 | 0 | 0 | 0 | 113.4 | G100 R299 | G100-D153 WeakPolarHBondContact CA-OD2 3.35Å; D153-R299 PolarHBondContact O-NH1 3.34Å; D153-R299 PolarHBondContact O-NH2 3.06Å; D153-R299 IonicContact OD1-CZ 3.67Å; D153-R299 IonicContact OD1-NH2 3.6Å; D153-R299 PolarHBondContact OD1-NH2 3.08Å |
| 154 | D | 94.5 | Very high | 87.9 | Confident | 100 Ų | 100 | 23.7 Ų | 23.7 | 54% | 0.535 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | 0.6 | 175 | -35.8 | -81.7 | 0 | 0 | 0 | 113.5 | T152 T288 Q292 | T152-D154 PolarHBondContact O-N 2.68Å; T152-D154 PolarHBondContact OG1-N 2.85Å; D154-T288 WeakPolarHBondContact O-CG2 3.4Å; D154-Q292 WeakPolarHBondContact O-CG 3.34Å; D154-Q292 PolarHBondContact O-NE2 2.6Å |
| 155 | G | 95.1 | Very high | 85.6 | Confident | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.133 | C | C | . | . | trans | 85.4 | 9.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | T152 V157 T288 T291 | T152-G155 PolarHBondContact O-N 3.33Å; T152-G155 PolarHBondContact OG1-N 3.22Å; G155-V157 PolarHBondContact O-N 2.9Å; G155-T288 VanDerWaalsContact C-CG2 3.48Å; G155-T288 WeakPolarHBondContact O-CG2 3.41Å; G155-T291 VanDerWaalsContact O-CB 3.28Å; G155-T291 WeakPolarHBondContact O-CB 3.36Å; G155-T291 PolarHBondContact O-OG1 2.9Å | ||
| 156 | H | 97.5 | Very high | 83 | Confident | 92 Ų | 92 | 24.4 Ų | 24.4 | 43% | 0.426 | 14% | 0.139 | S | C | . | . | trans | -69.9 | 130.5 | 175 | -69.2 | -75.3 | 0 | 0 | 0 | 111.1 | L151 T152 | L151-H156 WeakPolarHBondContact CA-O 3.13Å; T152-H156 HydrophobicContact CG2-CB 3.99Å; T152-H156 PolarHBondContact N-O 2.78Å; T152-H156 PolarHBondContact OG1-N 2.84Å; T152-H156 VanDerWaalsContact OG1-N 3.09Å | ||
| 157 | V | 98.1 | Very high | 80.5 | Confident | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.006 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 128.2 | -176.8 | -179.6 | 0 | 0 | 0 | 0 | 110.4 | N78 F122 V123 E126 I149 L151 G155 T291 | N78-V157 WeakPolarHBondContact CA-O 3.38Å; N78-V157 PolarHBondContact ND2-O 2.93Å; F122-V157 HydrophobicContact CD1-CG2 4.24Å; F122-V157 HydrophobicContact CE1-CG2 3.73Å; V123-V157 HydrophobicContact CG1-CG1 4.09Å; V123-V157 HydrophobicContact CG2-CG2 3.99Å; E126-V157 HydrophobicContact CB-CB 3.63Å; E126-V157 HydrophobicContact CB-CG1 3.92Å; E126-V157 HydrophobicContact CB-CG2 4.15Å; E126-V157 HydrophobicContact CG-CB 4.1Å; E126-V157 HydrophobicContact CG-CG2 4.15Å; I149-V157 HydrophobicContact CG2-CG1 3.63Å; L151-V157 HydrophobicContact CD2-CB 4.28Å; L151-V157 HydrophobicContact CD2-CG2 3.68Å; G155-V157 PolarHBondContact O-N 2.9Å; V157-T291 HydrophobicContact CG2-CG2 4.02Å |
| 158 | K | 96.6 | Very high | 77.9 | Confident | 18 Ų | 18 | 26.8 Ų | 26.8 | 8% | 0.078 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 132.3 | -175.7 | -71.9 | 173.1 | 173.5 | -72.1 | 0 | 112.6 | P77 I79 V80 E97 L150 T152 | P77-K158 PolarHBondContact O-NZ 3.15Å; I79-K158 PolarHBondContact O-NZ 2.79Å; V80-K158 HydrophobicContact CG2-CB 3.9Å; E97-K158 HydrophobicContact CG-CD 4.42Å; E97-K158 WeakPolarHBondContact OE1-CD 3.43Å; E97-K158 VanDerWaalsContact OE1-CE 3.26Å; E97-K158 WeakPolarHBondContact OE1-CE 3.48Å; E97-K158 IonicContact OE1-NZ 2.75Å; E97-K158 PolarHBondContact OE1-NZ 2.84Å; E97-K158 WeakPolarHBondContact OE2-CE 3.33Å; E97-K158 IonicContact OE2-NZ 2.69Å; E97-K158 PolarHBondContact OE2-NZ 3Å; L150-K158 PolarHBondContact N-O 3.09Å; L150-K158 PolarHBondContact O-N 3.36Å; T152-K158 HydrophobicContact CG2-CD 3.75Å; T152-K158 VanDerWaalsContact CG2-CE 3.46Å |
| 159 | V | 94.7 | Very high | 75.1 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 131.5 | 175.9 | -178 | 0 | 0 | 0 | 0 | 109.9 | N78 V80 T127 H141 I144 I149 F162 | N78-V159 WeakPolarHBondContact O-CG2 3.28Å; N78-V159 PolarHBondContact O-N 2.91Å; V80-V159 PolarHBondContact N-O 2.86Å; T127-V159 HydrophobicContact CG2-CG2 4.1Å; H141-V159 WeakPolarHBondContact CD2-CG1 3.49Å; H141-V159 WeakPolarHBondContact NE2-CG1 3.42Å; I144-V159 HydrophobicContact CD1-CG1 3.98Å; I149-V159 HydrophobicContact CD1-CG2 3.97Å; V159-F162 HydrophobicContact CG1-CE1 3.88Å; V159-F162 HydrophobicContact CG1-CZ 4.43Å |
| 160 | A | 89.4 | Confident | 72.3 | Confident | 6 Ų | 6 | 30.8 Ų | 30.8 | 5% | 0.05 | 17% | 0.172 | C | C | . | . | trans | -134.1 | 166.4 | -171.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | V80 H141 N148 L150 | V80-A160 HydrophobicContact CB-CB 4.37Å; V80-A160 HydrophobicContact CG2-CB 3.65Å; H141-A160 PolarHBondContact CE1-O 3.48Å; H141-A160 PolarHBondContact NE2-O 2.92Å; N148-A160 PolarHBondContact O-N 3.38Å; L150-A160 HydrophobicContact CD1-CB 3.75Å; L150-A160 HydrophobicContact CG-CB 3.87Å | ||
| 161 | D | 75.2 | Confident | 69.3 | Low | 57 Ų | 57 | 30.4 Ų | 30.4 | 31% | 0.305 | 17% | 0.172 | S | C | . | . | trans | 55.2 | 57.5 | 173.4 | -94.8 | 29.3 | 0 | 0 | 0 | 115 | K51 H141 G163 | K51-D161 IonicContact NZ-OD1 3.5Å; K51-D161 PolarHBondContact NZ-OD1 2.9Å; K51-D161 IonicContact NZ-OD2 3.9Å; K51-D161 PolarHBondContact NZ-OD2 2.98Å; H141-D161 PolarHBondContact CE1-O 2.86Å; H141-D161 VanDerWaalsContact CE1-O 3.23Å; D161-G163 PolarHBondContact O-N 2.81Å | ||
| 162 | F | 68 | Low | 66.2 | Low | 14 Ų | 14 | 37 Ų | 37 | 6% | 0.061 | 21% | 0.206 | C | C | . | . | trans | -54.8 | 135.6 | 174 | -53.6 | -66.6 | 0 | 0 | 0 | 112 | L71 I79 M134 H141 V159 V164 | L71-F162 HydrophobicContact CD2-CD2 3.63Å; L71-F162 HydrophobicContact CD2-CE2 3.89Å; L71-F162 HydrophobicContact CG-CD2 4.37Å; I79-F162 HydrophobicContact CB-CZ 4.47Å; I79-F162 HydrophobicContact CG1-CZ 4.25Å; I79-F162 HydrophobicContact CG2-CE2 4.14Å; I79-F162 HydrophobicContact CG2-CZ 3.72Å; M134-F162 HydrophobicContact CE-CD1 3.43Å; M134-F162 VanDerWaalsContact CE-CD1 3.43Å; M134-F162 HydrophobicContact CE-CE1 3.82Å; M134-F162 HydrophobicContact CE-CG 4.29Å; M134-F162 HydrophobicContact SD-CD1 3.71Å; M134-F162 HydrophobicContact SD-CE1 3.45Å; M134-F162 WeakPolarHBondContact SD-CE1 3.41Å; H141-F162 AromaticContact CD2-CD1 3.34Å; H141-F162 WeakPolarHBondContact CD2-CD1 3.45Å; H141-F162 AromaticContact CD2-CE1 3.52Å; H141-F162 AromaticContact CG-CD1 3.98Å; H141-F162 AromaticContact NE2-CD1 3.54Å; H141-F162 AromaticContact NE2-CE1 3.71Å; V159-F162 HydrophobicContact CG1-CE1 3.88Å; V159-F162 HydrophobicContact CG1-CZ 4.43Å; F162-V164 VanDerWaalsContact C-N 3.28Å; F162-V164 PolarHBondContact O-N 3.2Å | ||
| 163 | G | 53.3 | Low | 63.2 | Low | 5 Ų | 5 | 39.5 Ų | 39.5 | 5% | 0.052 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | 50.9 | -155.7 | 0 | 0 | 0 | 0 | 0 | 118.5 | H141 D161 A166 | H141-G163 VanDerWaalsContact O-CA 3.22Å; H141-G163 WeakPolarHBondContact O-CA 3.22Å; H141-G163 PolarHBondContact O-N 2.94Å; D161-G163 PolarHBondContact O-N 2.81Å; G163-A166 WeakPolarHBondContact O-CB 3.11Å; G163-A166 PolarHBondContact O-N 2.91Å |
| 164 | V | 44.9 | Very low | 60.5 | Low | 11 Ų | 11 | 40 Ų | 40 | 7% | 0.067 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74 | -21.9 | 165.4 | 173.3 | 0 | 0 | 0 | 0 | 111.5 | E67 F162 A166 Q167 L168 | E67-V164 HydrophobicContact CB-CB 4.08Å; E67-V164 HydrophobicContact CB-CG1 4.13Å; E67-V164 HydrophobicContact CB-CG2 3.63Å; E67-V164 HydrophobicContact CG-CB 3.83Å; E67-V164 HydrophobicContact CG-CG1 4.32Å; E67-V164 HydrophobicContact CG-CG2 3.59Å; F162-V164 VanDerWaalsContact C-N 3.28Å; F162-V164 PolarHBondContact O-N 3.2Å; V164-A166 PolarHBondContact O-N 2.7Å; V164-A166 VanDerWaalsContact O-N 3.14Å; V164-Q167 PolarHBondContact O-N 3.49Å; V164-L168 HydrophobicContact CG1-CD1 4.26Å; V164-L168 HydrophobicContact CG1-CG 4.22Å; V164-L168 PolarHBondContact O-N 2.84Å |
| 165 | A | 43.1 | Very low | 57.5 | Low | 17 Ų | 17 | 42.5 Ų | 42.5 | 14% | 0.14 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -29.7 | -49.4 | 147.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y33 | Y33-A165 HydrophobicContact CD2-CB 4.06Å; Y33-A165 HydrophobicContact CE1-CB 4.16Å; Y33-A165 HydrophobicContact CE2-CB 3.24Å; Y33-A165 WeakPolarHBondContact OH-CB 3.45Å; Y33-A165 PolarHBondContact OH-O 2.82Å |
| 166 | A | 39.2 | Very low | 54.4 | Low | 29 Ų | 29 | 49 Ų | 49 | 24% | 0.24 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -91 | -2.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | G163 V164 S169 | G163-A166 WeakPolarHBondContact O-CB 3.11Å; G163-A166 PolarHBondContact O-N 2.91Å; V164-A166 PolarHBondContact O-N 2.7Å; V164-A166 VanDerWaalsContact O-N 3.14Å; A166-S169 PolarHBondContact O-OG 3.26Å |
| 167 | Q | 39.7 | Very low | 51.5 | Low | 55 Ų | 55 | 48.9 Ų | 48.9 | 26% | 0.257 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -104.1 | -32 | 174.4 | -67.6 | -167 | -88.2 | 0 | 0 | 112.7 | S63 V164 S169 T170 | S63-Q167 WeakPolarHBondContact OG-CB 3.45Å; V164-Q167 PolarHBondContact O-N 3.49Å; Q167-S169 PolarHBondContact O-N 2.91Å; Q167-T170 WeakPolarHBondContact O-CB 3.15Å; Q167-T170 WeakPolarHBondContact O-CG2 3.46Å; Q167-T170 PolarHBondContact O-N 2.82Å; Q167-T170 PolarHBondContact O-OG1 3.22Å |
| 168 | L | 34.7 | Very low | 48.4 | Very low | 24 Ų | 24 | 52.1 Ų | 52.1 | 13% | 0.126 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.6 | -25.7 | 174.7 | -72.5 | 167.5 | 0 | 0 | 0 | 113 | Y33 D59 I64 V164 T170 S171 | Y33-L168 HydrophobicContact CD1-CD1 4.47Å; D59-L168 HydrophobicContact CB-CD2 4.01Å; I64-L168 HydrophobicContact CD1-CD2 3.97Å; I64-L168 HydrophobicContact CG1-CD2 4.02Å; V164-L168 HydrophobicContact CG1-CD1 4.26Å; V164-L168 HydrophobicContact CG1-CG 4.22Å; V164-L168 PolarHBondContact O-N 2.84Å; L168-T170 PolarHBondContact O-N 3.28Å; L168-S171 PolarHBondContact O-OG 3.32Å |
| 169 | S | 35.1 | Very low | 45.7 | Very low | 16 Ų | 16 | 54.6 Ų | 54.6 | 11% | 0.112 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -16.7 | 171.5 | 60.6 | 0 | 0 | 0 | 0 | 114.6 | A166 Q167 S171 | A166-S169 PolarHBondContact O-OG 3.26Å; Q167-S169 PolarHBondContact O-N 2.91Å; S169-S171 PolarHBondContact O-N 2.77Å |
| 170 | T | 37.6 | Very low | 43.5 | Very low | 81 Ų | 81 | 56.5 Ų | 56.5 | 50% | 0.497 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -16.9 | -176.7 | 64.1 | 0 | 0 | 0 | 0 | 113.3 | Q167 L168 I172 R175 | Q167-T170 WeakPolarHBondContact O-CB 3.15Å; Q167-T170 WeakPolarHBondContact O-CG2 3.46Å; Q167-T170 PolarHBondContact O-N 2.82Å; Q167-T170 PolarHBondContact O-OG1 3.22Å; L168-T170 PolarHBondContact O-N 3.28Å; T170-I172 PolarHBondContact O-N 2.9Å; T170-R175 PolarHBondContact O-NE 3.3Å; T170-R175 PolarHBondContact O-NH2 2.98Å |
| 171 | S | 32.5 | Very low | 42.1 | Very low | 30 Ų | 30 | 58.9 Ų | 58.9 | 21% | 0.21 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -57.5 | 130.7 | 170.3 | 62 | 0 | 0 | 0 | 0 | 110.5 | L168 S169 A173 K174 | L168-S171 PolarHBondContact O-OG 3.32Å; S169-S171 PolarHBondContact O-N 2.77Å; S171-A173 PolarHBondContact O-N 3.48Å; S171-K174 PolarHBondContact O-N 3.46Å |
| 172 | I | 32.3 | Very low | 42.2 | Very low | 139 Ų | 139 | 56.3 Ų | 56.3 | 71% | 0.713 | 33% | 0.325 | S | S | * | . | G | 310 helix | trans | -56 | -29.8 | -161.3 | -66.6 | 165.4 | 0 | 0 | 0 | 113.3 | T170 | T170-I172 PolarHBondContact O-N 2.9Š|
| 173 | A | 32.7 | Very low | 43.1 | Very low | 66 Ų | 66 | 56.6 Ų | 56.6 | 55% | 0.545 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -98.1 | 5.4 | -176 | 0 | 0 | 0 | 0 | 0 | 115.8 | S171 | S171-A173 PolarHBondContact O-N 3.48Š|
| 174 | K | 35.9 | Very low | 44.9 | Very low | 79 Ų | 79 | 57.3 Ų | 57.3 | 34% | 0.343 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | -103.1 | 9.8 | 168.7 | -73.9 | -179.1 | 176.2 | 173.7 | 0 | 112.5 | D59 S171 T176 T177 | D59-K174 IonicContact OD1-NZ 2.77Å; D59-K174 PolarHBondContact OD1-NZ 3.13Å; S171-K174 PolarHBondContact O-N 3.46Å; K174-T176 VanDerWaalsContact C-N 3.29Å; K174-T176 PolarHBondContact O-N 2.95Å; K174-T177 PolarHBondContact O-N 3.13Å; K174-T177 PolarHBondContact O-OG1 3.23Å |
| 175 | R | 32.4 | Very low | 46.9 | Very low | 152 Ų | 152 | 58.3 Ų | 58.3 | 57% | 0.574 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -5 | -175.3 | -63.9 | -177.9 | -174.7 | 167.9 | 3.1 | 115.2 | T170 | T170-R175 PolarHBondContact O-NE 3.3Å; T170-R175 PolarHBondContact O-NH2 2.98Å |
| 176 | T | 29.8 | Very low | 49 | Very low | 137 Ų | 137 | 57.6 Ų | 57.6 | 84% | 0.84 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -31 | 169.9 | 46.7 | 0 | 0 | 0 | 0 | 112.2 | K174 L178 | K174-T176 VanDerWaalsContact C-N 3.29Å; K174-T176 PolarHBondContact O-N 2.95Å; T176-L178 PolarHBondContact O-N 3.46Å |
| 177 | T | 35.6 | Very low | 51.3 | Low | 90 Ų | 90 | 56.5 Ų | 56.5 | 55% | 0.552 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -78.3 | 120.2 | 172.4 | 52.5 | 0 | 0 | 0 | 0 | 110.1 | K174 | K174-T177 PolarHBondContact O-N 3.13Å; K174-T177 PolarHBondContact O-OG1 3.23Å |
| 178 | L | 34 | Very low | 53.3 | Low | 68 Ų | 68 | 55.1 Ų | 55.1 | 36% | 0.356 | 31% | 0.309 | S | S | . | . | trans | -61.4 | 136 | -168.7 | -165.7 | 138.6 | 0 | 0 | 0 | 112.7 | T176 G180 P182 P227 R228 | T176-L178 PolarHBondContact O-N 3.46Å; L178-G180 PolarHBondContact O-N 3.38Å; L178-G180 VanDerWaalsContact O-N 3.16Å; L178-P182 HydrophobicContact CD2-CB 4.36Å; L178-P182 HydrophobicContact CD2-CG 3.88Å; L178-P227 HydrophobicContact CD1-CB 4.15Å; L178-P227 HydrophobicContact CD2-CB 3.88Å; L178-R228 HydrophobicContact CD1-CB 3.74Å; L178-R228 HydrophobicContact CD1-CG 4.19Å | ||
| 179 | I | 40.2 | Very low | 55.3 | Low | 70 Ų | 70 | 55.6 Ų | 55.6 | 36% | 0.359 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -75.5 | 107.4 | -168.8 | -59.4 | 177.3 | 0 | 0 | 0 | 111 | ||
| 180 | G | 47.8 | Very low | 56.7 | Low | 41 Ų | 41 | 55.5 Ų | 55.5 | 42% | 0.423 | 31% | 0.314 | S | S | . | . | S | Bend | trans | 73.8 | -179.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | L178 P182 | L178-G180 PolarHBondContact O-N 3.38Å; L178-G180 VanDerWaalsContact O-N 3.16Å; G180-P182 WeakPolarHBondContact O-CD 3.36Å |
| 181 | T | 61.1 | Low | 57.8 | Low | 56 Ų | 56 | 53 Ų | 53 | 34% | 0.344 | 30% | 0.299 | S | S | . | . | trans | -93.6 | 102.9 | 172.9 | -27.6 | 0 | 0 | 0 | 0 | 107.8 | Y183 W184 | T181-Y183 HydrophobicContact CG2-CD2 3.96Å; T181-Y183 HydrophobicContact CG2-CE2 4.02Å; T181-Y183 PolarHBondContact O-N 2.79Å; T181-Y183 VanDerWaalsContact O-N 3.07Å; T181-W184 HydrophobicContact CG2-CE3 4.28Å; T181-W184 HydrophobicContact CG2-CZ3 3.67Å; T181-W184 PolarHBondContact O-N 2.8Å | ||
| 182 | P | 75.5 | Confident | 58.8 | Low | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.013 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | -70.7 | -17.5 | -154.5 | 24.6 | -34 | 0 | 0 | 0 | 114.7 | L178 G180 W184 M185 P227 A230 L231 L234 | L178-P182 HydrophobicContact CD2-CB 4.36Å; L178-P182 HydrophobicContact CD2-CG 3.88Å; G180-P182 WeakPolarHBondContact O-CD 3.36Å; P182-W184 PolarHBondContact O-N 2.9Å; P182-W184 VanDerWaalsContact O-N 3.14Å; P182-M185 HydrophobicContact CB-SD 3.93Å; P182-M185 WeakPolarHBondContact O-CB 3.47Å; P182-M185 PolarHBondContact O-N 3.06Å; P182-P227 HydrophobicContact CG-CB 3.63Å; P182-P227 VanDerWaalsContact CG-O 3.27Å; P182-P227 WeakPolarHBondContact CG-O 3.36Å; P182-A230 HydrophobicContact CG-CB 4.28Å; P182-L231 HydrophobicContact CB-CB 4.45Å; P182-L234 WeakPolarHBondContact O-CD1 3.29Å |
| 183 | Y | 88 | Confident | 59.5 | Low | 20 Ų | 20 | 56 Ų | 56 | 8% | 0.078 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | -58 | -28.4 | -178.7 | -41.9 | -64.7 | 0 | 0 | 0 | 113.6 | T181 P220 M222 F223 L225 A230 | T181-Y183 HydrophobicContact CG2-CD2 3.96Å; T181-Y183 HydrophobicContact CG2-CE2 4.02Å; T181-Y183 PolarHBondContact O-N 2.79Å; T181-Y183 VanDerWaalsContact O-N 3.07Å; Y183-P220 HydrophobicContact CD2-CG 4.28Å; Y183-P220 HydrophobicContact CG-CG 4.15Å; Y183-M222 HydrophobicContact CD1-CB 4.24Å; Y183-M222 WeakPolarHBondContact CD1-O 3.44Å; Y183-M222 WeakPolarHBondContact CE1-O 3.2Å; Y183-F223 HydrophobicContact CD2-CD2 4.09Å; Y183-F223 HydrophobicContact CE2-CD2 4.01Å; Y183-L225 WeakPolarHBondContact CE1-O 3.24Å; Y183-L225 PolarHBondContact OH-O 3.46Å; Y183-A230 HydrophobicContact CD1-CB 3.88Å; Y183-A230 HydrophobicContact CE1-CB 3.76Å |
| 184 | W | 91 | Very high | 59.6 | Low | 20 Ų | 20 | 57.2 Ų | 57.2 | 8% | 0.076 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -94.5 | -6.4 | 175.3 | -62.8 | -102.2 | 0 | 0 | 0 | 114 | I144 K145 T181 P182 I210 E214 P220 | I144-W184 VanDerWaalsContact O-CD1 3.24Å; K145-W184 HydrophobicContact CB-CD2 3.72Å; K145-W184 VanDerWaalsContact CB-CE2 3.42Å; K145-W184 HydrophobicContact CB-CE3 4.41Å; K145-W184 HydrophobicContact CB-CG 3.87Å; K145-W184 HydrophobicContact CB-CZ2 3.88Å; T181-W184 HydrophobicContact CG2-CE3 4.28Å; T181-W184 HydrophobicContact CG2-CZ3 3.67Å; T181-W184 PolarHBondContact O-N 2.8Å; P182-W184 PolarHBondContact O-N 2.9Å; P182-W184 VanDerWaalsContact O-N 3.14Å; W184-I210 HydrophobicContact CB-CG2 4.35Å; W184-I210 VanDerWaalsContact CD1-CG2 3.44Å; W184-I210 HydrophobicContact CD2-CG2 4.42Å; W184-I210 HydrophobicContact CG-CB 4.35Å; W184-I210 HydrophobicContact CG-CG2 3.8Å; W184-E214 HydrophobicContact CZ2-CG 4.33Å; W184-E214 WeakPolarHBondContact CZ2-OE2 3.3Å; W184-E214 PolarHBondContact NE1-OE2 3.09Å; W184-P220 HydrophobicContact CD2-CB 4.36Å; W184-P220 HydrophobicContact CD2-CG 4.47Å; W184-P220 HydrophobicContact CE3-CG 4.44Å; W184-P220 HydrophobicContact CH2-CB 4.45Å; W184-P220 HydrophobicContact CH2-CG 3.67Å; W184-P220 HydrophobicContact CZ2-CB 4.03Å; W184-P220 HydrophobicContact CZ2-CG 3.67Å; W184-P220 HydrophobicContact CZ3-CG 4.05Å |
| 185 | M | 87.1 | Confident | 59.6 | Low | 32 Ų | 32 | 62.2 Ų | 62.2 | 16% | 0.158 | 33% | 0.329 | C | S | . | . | trans | -69.2 | 137.8 | -177.6 | -70.5 | 176 | 74.6 | 0 | 0 | 111.8 | P182 V189 W206 L231 L234 | P182-M185 HydrophobicContact CB-SD 3.93Å; P182-M185 WeakPolarHBondContact O-CB 3.47Å; P182-M185 PolarHBondContact O-N 3.06Å; M185-V189 HydrophobicContact CE-CG1 3.87Å; M185-W206 PolarHBondContact O-NE1 2.84Å; M185-L231 HydrophobicContact CE-CD1 4.08Å; M185-L231 HydrophobicContact SD-CD1 4.06Å; M185-L234 HydrophobicContact CB-CD1 4.33Å | ||
| 186 | A | 87.8 | Confident | 59.5 | Low | 2 Ų | 2 | 58.5 Ų | 58.5 | 2% | 0.017 | 34% | 0.339 | C | S | . | . | trans | -73.1 | 145.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | E188 V189 A190 C203 W206 | A186-E188 VanDerWaalsContact C-N 3.25Å; A186-E188 WeakPolarHBondContact CB-OE1 3.49Å; A186-E188 PolarHBondContact O-N 2.9Å; A186-V189 HydrophobicContact CB-CG2 4.19Å; A186-V189 WeakPolarHBondContact O-CB 3.3Å; A186-V189 PolarHBondContact O-N 3.11Å; A186-A190 PolarHBondContact O-N 3.42Å; A186-C203 HydrophobicContact CB-CB 4.08Å; A186-W206 VanDerWaalsContact CA-CD1 3.48Å; A186-W206 HydrophobicContact CB-CB 3.72Å; A186-W206 HydrophobicContact CB-CD2 4.2Å; A186-W206 HydrophobicContact CB-CG 3.65Å | ||
| 187 | P | 87 | Confident | 59.7 | Low | 7 Ų | 7 | 55.8 Ų | 55.8 | 5% | 0.045 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -25.8 | -172.9 | 26.1 | -35 | 0 | 0 | 0 | 113.1 | S191 W206 Y239 K264 | P187-S191 WeakPolarHBondContact O-CB 3.4Å; P187-S191 PolarHBondContact O-N 2.88Å; P187-W206 HydrophobicContact CG-CE3 4.3Å; P187-W206 HydrophobicContact CG-CH2 3.97Å; P187-W206 HydrophobicContact CG-CZ2 4.35Å; P187-W206 HydrophobicContact CG-CZ3 3.92Å; P187-Y239 HydrophobicContact CB-CD1 4.16Å; P187-Y239 HydrophobicContact CB-CE1 4.31Å; P187-K264 HydrophobicContact CB-CG 4.42Å; P187-K264 HydrophobicContact CG-CG 3.94Å |
| 188 | E | 82.2 | Confident | 60.3 | Low | 25 Ų | 25 | 55 Ų | 55 | 12% | 0.117 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -46.1 | 169.3 | 66.5 | -74.8 | 176.3 | 0 | 0 | 111.7 | A186 A190 S191 I192 E266 R269 | A186-E188 VanDerWaalsContact C-N 3.25Å; A186-E188 WeakPolarHBondContact CB-OE1 3.49Å; A186-E188 PolarHBondContact O-N 2.9Å; E188-A190 PolarHBondContact O-N 2.85Å; E188-S191 WeakPolarHBondContact O-CB 3.43Å; E188-S191 PolarHBondContact O-N 2.91Å; E188-S191 PolarHBondContact O-OG 3.39Å; E188-I192 WeakPolarHBondContact O-CG1 3.49Å; E188-E266 HydrophobicContact CG-CB 4.23Å; E188-E266 HydrophobicContact CG-CG 4.46Å; E188-R269 IonicContact OE1-CZ 3.87Å; E188-R269 IonicContact OE1-NH1 2.73Å; E188-R269 PolarHBondContact OE1-NH1 2.99Å; E188-R269 IonicContact OE1-NH2 2.61Å; E188-R269 PolarHBondContact OE1-NH2 3.45Å; E188-R269 IonicContact OE2-CZ 2.67Å; E188-R269 IonicContact OE2-NH1 3.4Å; E188-R269 IonicContact OE2-NH2 3.22Å; E188-R269 PolarHBondContact OE2-NH2 3.14Å |
| 189 | V | 75.5 | Confident | 61.5 | Low | 34 Ų | 34 | 54.5 Ų | 54.5 | 21% | 0.206 | 33% | 0.329 | C | S | . | . | G | 310 helix | trans | -62.1 | -43.7 | 179.3 | -177.7 | 0 | 0 | 0 | 0 | 110.9 | M185 A186 S191 I192 Y199 C203 | M185-V189 HydrophobicContact CE-CG1 3.87Å; A186-V189 HydrophobicContact CB-CG2 4.19Å; A186-V189 WeakPolarHBondContact O-CB 3.3Å; A186-V189 PolarHBondContact O-N 3.11Å; V189-S191 PolarHBondContact O-N 3.26Å; V189-S191 VanDerWaalsContact O-N 3.09Å; V189-I192 PolarHBondContact O-N 2.67Å; V189-Y199 HydrophobicContact CG2-CD1 4.39Å; V189-Y199 HydrophobicContact CG2-CD2 4.26Å; V189-Y199 HydrophobicContact CG2-CG 4.08Å; V189-C203 HydrophobicContact CG2-CB 3.65Å |
| 190 | A | 64.8 | Low | 62.8 | Low | 15 Ų | 15 | 54.2 Ų | 54.2 | 12% | 0.124 | 33% | 0.328 | C | S | . | . | G | 310 helix | trans | -62.4 | -11.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | A186 E188 L231 L234 | A186-A190 PolarHBondContact O-N 3.42Å; E188-A190 PolarHBondContact O-N 2.85Å; A190-L231 HydrophobicContact CB-CD1 3.74Å; A190-L234 HydrophobicContact CB-CB 3.73Å |
| 191 | S | 60.9 | Low | 64.4 | Low | 28 Ų | 28 | 53 Ų | 53 | 20% | 0.196 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -106.2 | -3.7 | -177.5 | 77 | 0 | 0 | 0 | 0 | 114.9 | P187 E188 V189 E193 S194 | P187-S191 WeakPolarHBondContact O-CB 3.4Å; P187-S191 PolarHBondContact O-N 2.88Å; E188-S191 WeakPolarHBondContact O-CB 3.43Å; E188-S191 PolarHBondContact O-N 2.91Å; E188-S191 PolarHBondContact O-OG 3.39Å; V189-S191 PolarHBondContact O-N 3.26Å; V189-S191 VanDerWaalsContact O-N 3.09Å; S191-E193 VanDerWaalsContact C-N 3.31Å; S191-E193 PolarHBondContact O-N 2.9Å; S191-S194 PolarHBondContact O-N 2.71Å; S191-S194 PolarHBondContact O-OG 2.82Å |
| 192 | I | 54.3 | Low | 65.8 | Low | 51 Ų | 51 | 51.8 Ų | 51.8 | 26% | 0.262 | 31% | 0.305 | S | S | . | . | G | 310 helix | trans | -68.6 | -24.8 | -164.8 | -82.2 | 173.8 | 0 | 0 | 0 | 114.8 | E188 V189 S194 R195 G196 Y199 | E188-I192 WeakPolarHBondContact O-CG1 3.49Å; V189-I192 PolarHBondContact O-N 2.67Å; I192-S194 PolarHBondContact O-N 2.82Å; I192-R195 PolarHBondContact O-N 2.86Å; I192-G196 PolarHBondContact O-N 3.06Å; I192-Y199 HydrophobicContact CD1-CD1 3.36Å; I192-Y199 HydrophobicContact CD1-CE1 4.11Å; I192-Y199 HydrophobicContact CD1-CG 4.21Å |
| 193 | E | 45.1 | Very low | 66.5 | Low | 182 Ų | 182 | 52.1 Ų | 52.1 | 85% | 0.85 | 31% | 0.308 | S | S | * | . | G | 310 helix | trans | -51.7 | -25.9 | 170.1 | -60.7 | -173.9 | 151.5 | 0 | 0 | 112.5 | S191 | S191-E193 VanDerWaalsContact C-N 3.31Å; S191-E193 PolarHBondContact O-N 2.9Å |
| 194 | S | 34.7 | Very low | 66.7 | Low | 91 Ų | 91 | 51.3 Ų | 51.3 | 64% | 0.636 | 31% | 0.305 | S | S | * | . | G | 310 helix | trans | -94.8 | -6.9 | 178.7 | 72.5 | 0 | 0 | 0 | 0 | 115.8 | S191 I192 | S191-S194 PolarHBondContact O-N 2.71Å; S191-S194 PolarHBondContact O-OG 2.82Å; I192-S194 PolarHBondContact O-N 2.82Å |
| 195 | R | 37.6 | Very low | 67 | Low | 183 Ų | 183 | 50.3 Ų | 50.3 | 69% | 0.691 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -140.9 | -19.4 | -160.7 | -83.3 | -179.1 | 174.3 | 163.1 | -0.3 | 119.4 | I192 S197 | I192-R195 PolarHBondContact O-N 2.86Å; R195-S197 PolarHBondContact O-N 3.33Å |
| 196 | G | 29.5 | Very low | 67.4 | Low | 75 Ų | 75 | 48.8 Ų | 48.8 | 77% | 0.773 | 29% | 0.294 | S | S | * | . | trans | 63.5 | -0.1 | 167.5 | 0 | 0 | 0 | 0 | 0 | 118.5 | I192 | I192-G196 PolarHBondContact O-N 3.06Š| ||
| 197 | S | 34.1 | Very low | 67.7 | Low | 80 Ų | 80 | 48.9 Ų | 48.9 | 56% | 0.559 | 29% | 0.294 | S | S | * | . | P | Polyproline II helix | trans | -90.6 | 130.5 | 171.3 | 58.9 | 0 | 0 | 0 | 0 | 110.8 | R195 | R195-S197 PolarHBondContact O-N 3.33Š|
| 198 | G | 47.2 | Very low | 68.2 | Low | 73 Ų | 73 | 48.7 Ų | 48.7 | 75% | 0.753 | 29% | 0.293 | S | S | * | . | P | Polyproline II helix | trans | -62 | 145.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 199 | Y | 59.1 | Low | 69 | Low | 58 Ų | 58 | 47.5 Ų | 47.5 | 23% | 0.227 | 29% | 0.288 | C | S | . | . | P | Polyproline II helix | trans | -87.2 | 152.9 | 177.1 | 50.8 | -84.5 | 0 | 0 | 0 | 111.6 | I140 R142 V189 I192 C203 | I140-Y199 HydrophobicContact CD1-CD2 4.32Å; I140-Y199 HydrophobicContact CD1-CE2 4.44Å; I140-Y199 HydrophobicContact CG2-CE2 4.3Å; R142-Y199 WeakPolarHBondContact CD-OH 3.4Å; R142-Y199 HydrophobicContact CG-CE2 4Å; R142-Y199 PolarHBondContact NE-OH 3.42Å; V189-Y199 HydrophobicContact CG2-CD1 4.39Å; V189-Y199 HydrophobicContact CG2-CD2 4.26Å; V189-Y199 HydrophobicContact CG2-CG 4.08Å; I192-Y199 HydrophobicContact CD1-CD1 3.36Å; I192-Y199 HydrophobicContact CD1-CE1 4.11Å; I192-Y199 HydrophobicContact CD1-CG 4.21Å; Y199-C203 HydrophobicContact CD2-CB 4.34Å; Y199-C203 VanDerWaalsContact CD2-SG 3.52Å |
| 200 | D | 68.5 | Low | 70 | Confident | 64 Ų | 64 | 46 Ų | 46 | 34% | 0.342 | 28% | 0.278 | S | S | . | . | trans | -90.9 | -175.8 | 174.6 | 74.3 | 8.4 | 0 | 0 | 0 | 112.9 | K202 C203 E266 | D200-K202 VanDerWaalsContact CG-CG 3.44Å; D200-K202 PolarHBondContact O-N 3.24Å; D200-K202 VanDerWaalsContact O-N 3.12Å; D200-K202 WeakPolarHBondContact OD1-CB 3.28Å; D200-K202 WeakPolarHBondContact OD1-CG 3.14Å; D200-K202 PolarHBondContact OD1-N 3.23Å; D200-K202 VanDerWaalsContact OD2-CG 3.29Å; D200-K202 WeakPolarHBondContact OD2-CG 3.19Å; D200-K202 IonicContact OD2-NZ 2.72Å; D200-C203 PolarHBondContact O-SG 2.88Å; D200-E266 PolarHBondContact N-OE1 2.99Å | ||
| 201 | G | 80.6 | Confident | 71.6 | Confident | 16 Ų | 16 | 45.5 Ų | 45.5 | 17% | 0.165 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -8.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115 | H135 C203 D204 | H135-G201 PolarHBondContact CE1-O 3.46Å; H135-G201 PolarHBondContact NE2-O 2.81Å; G201-C203 PolarHBondContact O-N 2.92Å; G201-D204 PolarHBondContact O-N 3.06Å |
| 202 | K | 91.1 | Very high | 73.4 | Confident | 29 Ų | 29 | 44.2 Ų | 44.2 | 13% | 0.126 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -66.6 | -20.3 | -179.5 | -56.3 | -73.3 | -179.5 | 58.9 | 0 | 112.3 | D200 D204 I205 W206 E266 R269 P270 D271 | D200-K202 VanDerWaalsContact CG-CG 3.44Å; D200-K202 PolarHBondContact O-N 3.24Å; D200-K202 VanDerWaalsContact O-N 3.12Å; D200-K202 WeakPolarHBondContact OD1-CB 3.28Å; D200-K202 WeakPolarHBondContact OD1-CG 3.14Å; D200-K202 PolarHBondContact OD1-N 3.23Å; D200-K202 VanDerWaalsContact OD2-CG 3.29Å; D200-K202 WeakPolarHBondContact OD2-CG 3.19Å; D200-K202 IonicContact OD2-NZ 2.72Å; K202-D204 VanDerWaalsContact C-N 3.27Å; K202-D204 PolarHBondContact O-N 3.49Å; K202-I205 WeakPolarHBondContact O-CB 3.21Å; K202-I205 PolarHBondContact O-N 3.07Å; K202-I205 VanDerWaalsContact O-N 3.17Å; K202-W206 PolarHBondContact O-N 3.02Å; K202-E266 HydrophobicContact CB-CG 4.37Å; K202-R269 VanDerWaalsContact C-NH1 3.29Å; K202-R269 HydrophobicContact CB-CB 4.34Å; K202-R269 HydrophobicContact CD-CB 4.31Å; K202-R269 VanDerWaalsContact CD-O 3.28Å; K202-R269 WeakPolarHBondContact CD-O 3.49Å; K202-R269 WeakPolarHBondContact CE-O 3.29Å; K202-R269 PolarHBondContact NZ-O 2.97Å; K202-R269 VanDerWaalsContact O-CD 3.32Å; K202-R269 WeakPolarHBondContact O-CD 3.36Å; K202-R269 PolarHBondContact O-NH1 3.41Å; K202-P270 WeakPolarHBondContact CD-O 3.26Å; K202-D271 HydrophobicContact CD-CB 4.23Å |
| 203 | C | 89.8 | Confident | 75.4 | Confident | 10 Ų | 10 | 41.9 Ų | 41.9 | 7% | 0.068 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.8 | -35.9 | 174 | 61.9 | 0 | 0 | 0 | 0 | 112.2 | I140 A186 V189 Y199 D200 G201 I205 W206 G207 | I140-C203 VanDerWaalsContact CG2-SG 3.51Å; A186-C203 HydrophobicContact CB-CB 4.08Å; V189-C203 HydrophobicContact CG2-CB 3.65Å; Y199-C203 HydrophobicContact CD2-CB 4.34Å; Y199-C203 VanDerWaalsContact CD2-SG 3.52Å; D200-C203 PolarHBondContact O-SG 2.88Å; G201-C203 PolarHBondContact O-N 2.92Å; C203-I205 VanDerWaalsContact C-N 3.31Å; C203-I205 PolarHBondContact O-N 2.93Å; C203-W206 WeakPolarHBondContact O-CB 3.5Å; C203-W206 PolarHBondContact O-N 2.9Å; C203-G207 PolarHBondContact O-N 3.45Å; C203-G207 VanDerWaalsContact O-N 3.13Å |
| 204 | D | 92.7 | Very high | 77.9 | Confident | 2 Ų | 2 | 33.2 Ų | 33.2 | 1% | 0.011 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66.5 | -34.6 | 175.3 | -61.2 | -29.3 | 0 | 0 | 0 | 111.6 | L131 H135 I140 H141 R142 I144 G201 K202 W206 G207 V208 | L131-D204 HydrophobicContact CD1-CB 3.94Å; L131-D204 HydrophobicContact CD2-CB 3.7Å; L131-D204 HydrophobicContact CG-CB 4.43Å; H135-D204 IonicContact CD2-OD2 3.9Å; H135-D204 IonicContact CE1-OD2 3.83Å; H135-D204 IonicContact NE2-OD2 3.01Å; H135-D204 PolarHBondContact NE2-OD2 2.88Å; I140-D204 WeakPolarHBondContact CG2-OD2 3.42Å; H141-D204 WeakPolarHBondContact CB-OD1 3.4Å; H141-D204 PolarHBondContact N-OD1 2.95Å; H141-D204 PolarHBondContact N-OD2 2.71Å; R142-D204 PolarHBondContact N-OD1 3.5Å; I144-D204 HydrophobicContact CG1-CB 4.23Å; G201-D204 PolarHBondContact O-N 3.06Å; K202-D204 VanDerWaalsContact C-N 3.27Å; K202-D204 PolarHBondContact O-N 3.49Å; D204-W206 VanDerWaalsContact C-N 3.3Å; D204-W206 PolarHBondContact O-N 3.3Å; D204-G207 CarbonylContact O-C 3.14Å; D204-G207 WeakPolarHBondContact O-CA 3.49Å; D204-G207 PolarHBondContact O-N 3.42Å; D204-G207 VanDerWaalsContact O-N 3.12Å; D204-V208 WeakPolarHBondContact O-CG2 3.32Å; D204-V208 PolarHBondContact O-N 3.13Å |
| 205 | I | 97 | Very high | 80.9 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -66.7 | -32.9 | 177.2 | -50.9 | -59 | 0 | 0 | 0 | 111.5 | L128 K202 C203 G209 C261 R269 A272 M275 | L128-I205 HydrophobicContact CD2-CD1 3.59Å; K202-I205 WeakPolarHBondContact O-CB 3.21Å; K202-I205 PolarHBondContact O-N 3.07Å; K202-I205 VanDerWaalsContact O-N 3.17Å; C203-I205 VanDerWaalsContact C-N 3.31Å; C203-I205 PolarHBondContact O-N 2.93Å; I205-G209 PolarHBondContact O-N 3.24Å; I205-C261 HydrophobicContact CG2-CB 4.49Å; I205-C261 WeakPolarHBondContact O-CB 3.33Å; I205-R269 HydrophobicContact CG2-CG 4.34Å; I205-A272 HydrophobicContact CD1-CB 3.88Å; I205-M275 HydrophobicContact CG2-CG 3.79Å |
| 206 | W | 95.6 | Very high | 83.7 | Confident | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -66.7 | -44.7 | 169.2 | 178 | -78.4 | 0 | 0 | 0 | 111.1 | M185 A186 P187 K202 C203 D204 V208 G209 I210 Y239 P241 L262 | M185-W206 PolarHBondContact O-NE1 2.84Å; A186-W206 VanDerWaalsContact CA-CD1 3.48Å; A186-W206 HydrophobicContact CB-CB 3.72Å; A186-W206 HydrophobicContact CB-CD2 4.2Å; A186-W206 HydrophobicContact CB-CG 3.65Å; P187-W206 HydrophobicContact CG-CE3 4.3Å; P187-W206 HydrophobicContact CG-CH2 3.97Å; P187-W206 HydrophobicContact CG-CZ2 4.35Å; P187-W206 HydrophobicContact CG-CZ3 3.92Å; K202-W206 PolarHBondContact O-N 3.02Å; C203-W206 WeakPolarHBondContact O-CB 3.5Å; C203-W206 PolarHBondContact O-N 2.9Å; D204-W206 VanDerWaalsContact C-N 3.3Å; D204-W206 PolarHBondContact O-N 3.3Å; W206-V208 VanDerWaalsContact C-N 3.32Å; W206-V208 PolarHBondContact O-N 2.85Å; W206-G209 WeakPolarHBondContact O-CA 3.48Å; W206-G209 PolarHBondContact O-N 3.26Å; W206-I210 PolarHBondContact O-N 3.42Å; W206-Y239 AromaticContact CH2-CE1 3.74Å; W206-Y239 HydrophobicContact CH2-CE1 3.74Å; W206-Y239 AromaticContact CZ2-CE1 3.85Å; W206-Y239 HydrophobicContact CZ2-CE1 3.85Å; W206-P241 HydrophobicContact CH2-CB 4.06Å; W206-P241 HydrophobicContact CH2-CG 4.29Å; W206-P241 HydrophobicContact CZ3-CB 4.41Å; W206-P241 HydrophobicContact CZ3-CG 4.43Å; W206-L262 HydrophobicContact CD2-CD2 3.63Å; W206-L262 HydrophobicContact CE3-CB 4.22Å; W206-L262 HydrophobicContact CE3-CD2 3.88Å; W206-L262 HydrophobicContact CG-CD2 3.99Å; W206-L262 HydrophobicContact CH2-CB 4.3Å; W206-L262 HydrophobicContact CH2-CD2 4.38Å; W206-L262 HydrophobicContact CZ2-CD2 4.18Å; W206-L262 HydrophobicContact CZ3-CB 3.97Å; W206-L262 HydrophobicContact CZ3-CD2 4.26Å; W206-L262 VanDerWaalsContact CZ3-O 3.32Å; W206-L262 WeakPolarHBondContact CZ3-O 3.07Å |
| 207 | G | 94.8 | Very high | 86.7 | Confident | 3 Ų | 3 | 18.5 Ų | 18.5 | 3% | 0.031 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -55.4 | -42.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113 | C203 D204 G209 I210 T211 | C203-G207 PolarHBondContact O-N 3.45Å; C203-G207 VanDerWaalsContact O-N 3.13Å; D204-G207 CarbonylContact O-C 3.14Å; D204-G207 WeakPolarHBondContact O-CA 3.49Å; D204-G207 PolarHBondContact O-N 3.42Å; D204-G207 VanDerWaalsContact O-N 3.12Å; G207-G209 VanDerWaalsContact C-N 3.34Å; G207-G209 PolarHBondContact O-N 3.01Å; G207-I210 PolarHBondContact O-N 3.35Å; G207-T211 WeakPolarHBondContact O-CB 3.41Å; G207-T211 PolarHBondContact O-N 3.48Å; G207-T211 PolarHBondContact O-OG1 3.36Å |
| 208 | V | 97.7 | Very high | 89.5 | Confident | 4 Ų | 4 | 17.2 Ų | 17.2 | 2% | 0.024 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -58.5 | -43.7 | 171.3 | 173.3 | 0 | 0 | 0 | 0 | 111.4 | T127 L128 L131 I144 D204 W206 I210 T211 A212 F257 | T127-V208 HydrophobicContact CG2-CG2 4.02Å; L128-V208 HydrophobicContact CD1-CG1 4.47Å; L128-V208 HydrophobicContact CD2-CG2 4.26Å; L128-V208 HydrophobicContact CG-CG1 4.35Å; L131-V208 HydrophobicContact CD1-CG2 3.56Å; I144-V208 HydrophobicContact CG2-CG2 3.94Å; D204-V208 WeakPolarHBondContact O-CG2 3.32Å; D204-V208 PolarHBondContact O-N 3.13Å; W206-V208 VanDerWaalsContact C-N 3.32Å; W206-V208 PolarHBondContact O-N 2.85Å; V208-I210 PolarHBondContact O-N 2.93Å; V208-T211 PolarHBondContact O-N 3.47Å; V208-A212 WeakPolarHBondContact O-CB 3.48Å; V208-A212 PolarHBondContact O-N 2.72Å; V208-F257 HydrophobicContact CG1-CE1 4.28Å; V208-F257 HydrophobicContact CG1-CZ 4.08Å |
| 209 | G | 98 | Very high | 91.7 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -62.3 | -37.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114 | I205 W206 G207 I213 C261 | I205-G209 PolarHBondContact O-N 3.24Å; W206-G209 WeakPolarHBondContact O-CA 3.48Å; W206-G209 PolarHBondContact O-N 3.26Å; G207-G209 VanDerWaalsContact C-N 3.34Å; G207-G209 PolarHBondContact O-N 3.01Å; G209-I213 PolarHBondContact O-N 2.89Å; G209-C261 VanDerWaalsContact CA-CB 3.46Å |
| 210 | I | 97.6 | Very high | 93.3 | Very high | 1 Ų | 1 | 15 Ų | 15 | 1% | 0.005 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -72.5 | -42.7 | 174.2 | -60.6 | -60.1 | 0 | 0 | 0 | 111.1 | W184 W206 G207 V208 A212 I213 E214 P220 P221 P242 L262 | W184-I210 HydrophobicContact CB-CG2 4.35Å; W184-I210 VanDerWaalsContact CD1-CG2 3.44Å; W184-I210 HydrophobicContact CD2-CG2 4.42Å; W184-I210 HydrophobicContact CG-CB 4.35Å; W184-I210 HydrophobicContact CG-CG2 3.8Å; W206-I210 PolarHBondContact O-N 3.42Å; G207-I210 PolarHBondContact O-N 3.35Å; V208-I210 PolarHBondContact O-N 2.93Å; I210-A212 PolarHBondContact O-N 3.09Å; I210-I213 WeakPolarHBondContact O-CA 3.16Å; I210-I213 WeakPolarHBondContact O-CB 3.06Å; I210-I213 PolarHBondContact O-N 2.86Å; I210-E214 PolarHBondContact O-N 3.1Å; I210-P220 HydrophobicContact CG2-CB 3.68Å; I210-P221 HydrophobicContact CD1-CG 4.22Å; I210-P242 HydrophobicContact CD1-CG 3.89Å; I210-L262 HydrophobicContact CD1-CD1 4.12Å; I210-L262 HydrophobicContact CD1-CD2 3.8Å; I210-L262 HydrophobicContact CG1-CD2 4.01Å |
| 211 | T | 97.4 | Very high | 94.4 | Very high | 6 Ų | 6 | 13 Ų | 13 | 4% | 0.037 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -60.9 | -32.8 | 177.2 | -54.1 | 0 | 0 | 0 | 0 | 111.8 | I144 K145 G207 V208 E214 Y215 | I144-T211 PolarHBondContact O-OG1 3.38Å; K145-T211 WeakPolarHBondContact CA-OG1 3.24Å; G207-T211 WeakPolarHBondContact O-CB 3.41Å; G207-T211 PolarHBondContact O-N 3.48Å; G207-T211 PolarHBondContact O-OG1 3.36Å; V208-T211 PolarHBondContact O-N 3.47Å; T211-E214 WeakPolarHBondContact O-CB 3.25Å; T211-E214 PolarHBondContact O-N 3.01Å; T211-Y215 HydrophobicContact CG2-CD2 4.46Å; T211-Y215 HydrophobicContact CG2-CE1 3.84Å; T211-Y215 HydrophobicContact CG2-CE2 3.76Å; T211-Y215 WeakPolarHBondContact CG2-OH 3.12Å; T211-Y215 WeakPolarHBondContact O-CD2 3.39Å; T211-Y215 VanDerWaalsContact O-CG 3.31Å; T211-Y215 PolarHBondContact O-N 2.89Å |
| 212 | A | 98.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -68.9 | -33.3 | 174 | 0 | 0 | 0 | 0 | 0 | 112.9 | I120 V208 I210 A216 F254 F257 I258 | I120-A212 HydrophobicContact CG2-CB 4.18Å; V208-A212 WeakPolarHBondContact O-CB 3.48Å; V208-A212 PolarHBondContact O-N 2.72Å; I210-A212 PolarHBondContact O-N 3.09Å; A212-A216 WeakPolarHBondContact O-CB 3.37Å; A212-A216 PolarHBondContact O-N 2.94Å; A212-F254 HydrophobicContact CB-CE2 4.07Å; A212-F257 HydrophobicContact CB-CE1 4.36Å; A212-I258 HydrophobicContact CB-CG1 4.37Å |
| 213 | I | 97.5 | Very high | 94.5 | Very high | 2 Ų | 2 | 17.5 Ų | 17.5 | 1% | 0.01 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -71.6 | -41.9 | 170.5 | -62.9 | 169.5 | 0 | 0 | 0 | 110.4 | G209 I210 Y215 A216 E217 P221 P242 L244 I258 L262 | G209-I213 PolarHBondContact O-N 2.89Å; I210-I213 WeakPolarHBondContact O-CA 3.16Å; I210-I213 WeakPolarHBondContact O-CB 3.06Å; I210-I213 PolarHBondContact O-N 2.86Å; I213-Y215 VanDerWaalsContact C-N 3.32Å; I213-Y215 PolarHBondContact O-N 3.34Å; I213-A216 CarbonylContact O-C 3.5Å; I213-A216 WeakPolarHBondContact O-CB 3.47Å; I213-A216 PolarHBondContact O-N 3.47Å; I213-E217 HydrophobicContact CG2-CB 4.49Å; I213-E217 HydrophobicContact CG2-CG 4.21Å; I213-E217 PolarHBondContact O-N 2.92Å; I213-P221 HydrophobicContact CB-CG 4.49Å; I213-P221 HydrophobicContact CD1-CG 3.94Å; I213-P221 HydrophobicContact CG2-CG 4.01Å; I213-P242 HydrophobicContact CD1-CB 4.42Å; I213-P242 HydrophobicContact CD1-CG 4.29Å; I213-L244 HydrophobicContact CB-CD2 4.41Å; I213-L244 HydrophobicContact CG1-CD2 4.09Å; I213-L244 HydrophobicContact CG2-CD2 4.27Å; I213-I258 HydrophobicContact CD1-CG2 4.04Å; I213-I258 HydrophobicContact CG1-CD1 3.91Å; I213-I258 HydrophobicContact CG1-CG2 4.27Å; I213-L262 HydrophobicContact CD1-CD1 3.87Å |
| 214 | E | 96.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -53 | -45.6 | 175.7 | 178.9 | -167.8 | 173.2 | 0 | 0 | 111.9 | Y108 G146 W184 I210 T211 A216 L218 Q219 | Y108-E214 HydrophobicContact CE1-CG 3.79Å; Y108-E214 WeakPolarHBondContact OH-CG 3.1Å; Y108-E214 PolarHBondContact OH-OE1 3.1Å; G146-E214 VanDerWaalsContact CA-OE1 3.25Å; G146-E214 WeakPolarHBondContact CA-OE1 3.22Å; G146-E214 PolarHBondContact N-OE1 3.23Å; G146-E214 VanDerWaalsContact N-OE1 3.11Å; G146-E214 PolarHBondContact N-OE2 2.95Å; W184-E214 HydrophobicContact CZ2-CG 4.33Å; W184-E214 WeakPolarHBondContact CZ2-OE2 3.3Å; W184-E214 PolarHBondContact NE1-OE2 3.09Å; I210-E214 PolarHBondContact O-N 3.1Å; T211-E214 WeakPolarHBondContact O-CB 3.25Å; T211-E214 PolarHBondContact O-N 3.01Å; E214-A216 VanDerWaalsContact C-N 3.33Å; E214-A216 PolarHBondContact O-N 2.85Å; E214-L218 CarbonylContact O-C 3.55Å; E214-L218 WeakPolarHBondContact O-CA 3.5Å; E214-L218 PolarHBondContact O-N 2.88Å; E214-Q219 PolarHBondContact O-N 3.04Å |
| 215 | Y | 97 | Very high | 93.6 | Very high | 3 Ų | 3 | 23.7 Ų | 23.7 | 1% | 0.012 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -69 | -27.6 | 176 | -61.9 | -20.8 | 0 | 0 | 0 | 114.3 | M104 Y108 L115 I120 V123 T211 I213 | M104-Y215 HydrophobicContact CB-CE1 3.52Å; M104-Y215 WeakPolarHBondContact CB-OH 3.3Å; M104-Y215 HydrophobicContact CG-CE1 4.31Å; M104-Y215 WeakPolarHBondContact CG-OH 3.38Å; Y108-Y215 HydrophobicContact CD1-CD1 4.01Å; Y108-Y215 HydrophobicContact CD1-CE1 4.43Å; Y108-Y215 HydrophobicContact CE1-CD1 4.21Å; Y108-Y215 HydrophobicContact CE1-CE1 4.48Å; L115-Y215 HydrophobicContact CD1-CD1 4.25Å; L115-Y215 HydrophobicContact CD1-CD2 4.35Å; L115-Y215 HydrophobicContact CD1-CG 3.94Å; L115-Y215 PolarHBondContact N-O 2.84Å; I120-Y215 HydrophobicContact CG1-CD2 4.38Å; I120-Y215 HydrophobicContact CG2-CD2 4.39Å; V123-Y215 HydrophobicContact CB-CE2 4.37Å; V123-Y215 HydrophobicContact CG1-CE2 3.68Å; T211-Y215 HydrophobicContact CG2-CD2 4.46Å; T211-Y215 HydrophobicContact CG2-CE1 3.84Å; T211-Y215 HydrophobicContact CG2-CE2 3.76Å; T211-Y215 WeakPolarHBondContact CG2-OH 3.12Å; T211-Y215 WeakPolarHBondContact O-CD2 3.39Å; T211-Y215 VanDerWaalsContact O-CG 3.31Å; T211-Y215 PolarHBondContact O-N 2.89Å; I213-Y215 VanDerWaalsContact C-N 3.32Å; I213-Y215 PolarHBondContact O-N 3.34Å |
| 216 | A | 96.4 | Very high | 92.6 | Very high | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.008 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -84 | -31.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113 | P114 I120 A212 I213 E214 L244 W250 F254 | P114-A216 WeakPolarHBondContact CB-O 3.42Å; I120-A216 HydrophobicContact CD1-CB 4.14Å; A212-A216 WeakPolarHBondContact O-CB 3.37Å; A212-A216 PolarHBondContact O-N 2.94Å; I213-A216 CarbonylContact O-C 3.5Å; I213-A216 WeakPolarHBondContact O-CB 3.47Å; I213-A216 PolarHBondContact O-N 3.47Å; E214-A216 VanDerWaalsContact C-N 3.33Å; E214-A216 PolarHBondContact O-N 2.85Å; A216-L244 HydrophobicContact CB-CD2 3.59Å; A216-W250 HydrophobicContact CB-CH2 3.83Å; A216-W250 HydrophobicContact CB-CZ2 3.46Å; A216-W250 VanDerWaalsContact CB-CZ2 3.46Å; A216-W250 VanDerWaalsContact O-CZ2 3.32Å; A216-W250 WeakPolarHBondContact O-CZ2 3.49Å; A216-F254 HydrophobicContact CB-CE1 4.04Å; A216-F254 HydrophobicContact CB-CZ 4.09Å |
| 217 | E | 94.5 | Very high | 91.6 | Very high | 37 Ų | 37 | 27.5 Ų | 27.5 | 17% | 0.173 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -122 | 1.8 | -171.2 | -55.8 | -166.2 | 163.7 | 0 | 0 | 113.7 | I213 Q219 L244 Q245 | I213-E217 HydrophobicContact CG2-CB 4.49Å; I213-E217 HydrophobicContact CG2-CG 4.21Å; I213-E217 PolarHBondContact O-N 2.92Å; E217-Q219 PolarHBondContact O-N 3.3Å; E217-L244 HydrophobicContact CG-CD2 4.22Å; E217-L244 WeakPolarHBondContact OE1-CA 3.36Å; E217-Q245 PolarHBondContact OE1-N 3.23Å; E217-Q245 WeakPolarHBondContact OE2-CG 3.38Å; E217-Q245 PolarHBondContact OE2-NE2 3.05Å |
| 218 | L | 92.4 | Very high | 90.5 | Very high | 52 Ų | 52 | 31 Ų | 31 | 27% | 0.272 | 15% | 0.154 | S | C | . | . | S | Bend | trans | 65.6 | 7 | -178.2 | -54.2 | 174.2 | 0 | 0 | 0 | 115.5 | Y108 P114 E214 | Y108-L218 HydrophobicContact CD2-CB 4.21Å; Y108-L218 HydrophobicContact CD2-CD2 3.5Å; Y108-L218 HydrophobicContact CD2-CG 4.47Å; Y108-L218 HydrophobicContact CE2-CB 4.25Å; Y108-L218 HydrophobicContact CE2-CD2 4.33Å; Y108-L218 VanDerWaalsContact CE2-O 3.23Å; Y108-L218 WeakPolarHBondContact CE2-O 3.44Å; Y108-L218 HydrophobicContact CG-CD2 3.92Å; P114-L218 HydrophobicContact CG-CD1 4.47Å; P114-L218 HydrophobicContact CG-CG 4.35Å; E214-L218 CarbonylContact O-C 3.55Å; E214-L218 WeakPolarHBondContact O-CA 3.5Å; E214-L218 PolarHBondContact O-N 2.88Å |
| 219 | Q | 92.1 | Very high | 89.7 | Confident | 80 Ų | 80 | 35 Ų | 35 | 37% | 0.374 | 17% | 0.171 | S | C | . | . | S | Bend | trans | -158.6 | 150.5 | 179.2 | 62.4 | -168.8 | -14.8 | 0 | 0 | 109.6 | E214 E217 F223 | E214-Q219 PolarHBondContact O-N 3.04Å; E217-Q219 PolarHBondContact O-N 3.3Å; Q219-F223 HydrophobicContact CB-CB 4.1Å; Q219-F223 HydrophobicContact CB-CD1 3.9Å; Q219-F223 HydrophobicContact CB-CG 4.1Å |
| 220 | P | 93.7 | Very high | 88.9 | Confident | 4 Ų | 4 | 35 Ų | 35 | 3% | 0.026 | 17% | 0.171 | C | C | . | . | trans | -71.9 | 163.6 | 171.7 | 33.6 | -37.6 | 0 | 0 | 0 | 111.2 | Y183 W184 I210 F223 | Y183-P220 HydrophobicContact CD2-CG 4.28Å; Y183-P220 HydrophobicContact CG-CG 4.15Å; W184-P220 HydrophobicContact CD2-CB 4.36Å; W184-P220 HydrophobicContact CD2-CG 4.47Å; W184-P220 HydrophobicContact CE3-CG 4.44Å; W184-P220 HydrophobicContact CH2-CB 4.45Å; W184-P220 HydrophobicContact CH2-CG 3.67Å; W184-P220 HydrophobicContact CZ2-CB 4.03Å; W184-P220 HydrophobicContact CZ2-CG 3.67Å; W184-P220 HydrophobicContact CZ3-CG 4.05Å; I210-P220 HydrophobicContact CG2-CB 3.68Å; P220-F223 HydrophobicContact CG-CB 4.04Å; P220-F223 HydrophobicContact CG-CD2 3.94Å; P220-F223 HydrophobicContact CG-CG 4.31Å; P220-F223 WeakPolarHBondContact O-CB 3.24Å; P220-F223 PolarHBondContact O-N 2.85Å | ||
| 221 | P | 91.9 | Very high | 88 | Confident | 22 Ų | 22 | 37 Ų | 37 | 14% | 0.143 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | 143.4 | 170.6 | -23.6 | 36.1 | 0 | 0 | 0 | 111.9 | I210 I213 F223 P242 | I210-P221 HydrophobicContact CD1-CG 4.22Å; I213-P221 HydrophobicContact CB-CG 4.49Å; I213-P221 HydrophobicContact CD1-CG 3.94Å; I213-P221 HydrophobicContact CG2-CG 4.01Å; P221-F223 PolarHBondContact O-N 2.8Å; P221-P242 HydrophobicContact CB-CB 3.82Å; P221-P242 HydrophobicContact CB-CG 3.98Å; P221-P242 HydrophobicContact CG-CB 3.7Å; P221-P242 HydrophobicContact CG-CG 3.67Å |
| 222 | M | 87.8 | Confident | 87.1 | Confident | 32 Ų | 32 | 42.9 Ų | 42.9 | 16% | 0.158 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.4 | 12.6 | -179.6 | -49.5 | 175.9 | -62.6 | 0 | 0 | 115.6 | Y183 D224 L225 A230 I233 L234 Y239 | Y183-M222 HydrophobicContact CD1-CB 4.24Å; Y183-M222 WeakPolarHBondContact CD1-O 3.44Å; Y183-M222 WeakPolarHBondContact CE1-O 3.2Å; M222-D224 PolarHBondContact O-N 2.89Å; M222-D224 VanDerWaalsContact O-N 3.11Å; M222-L225 HydrophobicContact CB-CD1 3.99Å; M222-L225 HydrophobicContact CB-CG 4.2Å; M222-L225 HydrophobicContact CG-CD1 4.22Å; M222-L225 WeakPolarHBondContact O-CB 3.33Å; M222-L225 PolarHBondContact O-N 2.94Å; M222-A230 HydrophobicContact CB-CB 4.45Å; M222-A230 HydrophobicContact CE-CB 4.38Å; M222-I233 HydrophobicContact SD-CB 4.19Å; M222-I233 HydrophobicContact SD-CD1 4.49Å; M222-I233 HydrophobicContact SD-CG2 3.66Å; M222-L234 HydrophobicContact CE-CD1 4.3Å; M222-L234 HydrophobicContact CE-CD2 4.26Å; M222-L234 HydrophobicContact CE-CG 4.03Å; M222-Y239 HydrophobicContact CE-CE2 4.48Å; M222-Y239 HydrophobicContact SD-CE2 4.38Å |
| 223 | F | 85.7 | Confident | 86.5 | Confident | 109 Ų | 109 | 45.7 Ų | 45.7 | 48% | 0.478 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -18.5 | 177.1 | -171.2 | -111.3 | 0 | 0 | 0 | 114.3 | Y183 Q219 P220 P221 L225 | Y183-F223 HydrophobicContact CD2-CD2 4.09Å; Y183-F223 HydrophobicContact CE2-CD2 4.01Å; Q219-F223 HydrophobicContact CB-CB 4.1Å; Q219-F223 HydrophobicContact CB-CD1 3.9Å; Q219-F223 HydrophobicContact CB-CG 4.1Å; P220-F223 HydrophobicContact CG-CB 4.04Å; P220-F223 HydrophobicContact CG-CD2 3.94Å; P220-F223 HydrophobicContact CG-CG 4.31Å; P220-F223 WeakPolarHBondContact O-CB 3.24Å; P220-F223 PolarHBondContact O-N 2.85Å; P221-F223 PolarHBondContact O-N 2.8Å; F223-L225 VanDerWaalsContact C-N 3.32Å |
| 224 | D | 82.4 | Confident | 85.9 | Confident | 105 Ų | 105 | 45.6 Ų | 45.6 | 56% | 0.561 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -9.1 | 173.8 | 68.4 | -53.8 | 0 | 0 | 0 | 113.9 | M222 | M222-D224 PolarHBondContact O-N 2.89Å; M222-D224 VanDerWaalsContact O-N 3.11Å |
| 225 | L | 81.2 | Confident | 85 | Confident | 37 Ų | 37 | 47.6 Ų | 47.6 | 19% | 0.194 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -97.8 | 148.6 | 178.5 | -52.9 | -172.1 | 0 | 0 | 0 | 111.7 | Y183 M222 F223 K229 I233 | Y183-L225 WeakPolarHBondContact CE1-O 3.24Å; Y183-L225 PolarHBondContact OH-O 3.46Å; M222-L225 HydrophobicContact CB-CD1 3.99Å; M222-L225 HydrophobicContact CB-CG 4.2Å; M222-L225 HydrophobicContact CG-CD1 4.22Å; M222-L225 WeakPolarHBondContact O-CB 3.33Å; M222-L225 PolarHBondContact O-N 2.94Å; F223-L225 VanDerWaalsContact C-N 3.32Å; L225-K229 HydrophobicContact CB-CD 4.45Å; L225-K229 HydrophobicContact CD2-CD 4.42Å; L225-I233 HydrophobicContact CD1-CD1 3.43Å; L225-I233 VanDerWaalsContact CD1-CD1 3.43Å |
| 226 | D | 76.2 | Confident | 84.3 | Confident | 43 Ų | 43 | 49.8 Ų | 49.8 | 23% | 0.23 | 26% | 0.259 | C | S | . | . | trans | -51.5 | 139.4 | 166.1 | 167.5 | -91.9 | 0 | 0 | 0 | 111.9 | R228 K229 A230 E734 | D226-R228 VanDerWaalsContact C-N 3.33Å; D226-R228 PolarHBondContact O-N 2.84Å; D226-R228 VanDerWaalsContact OD1-CA 3.31Å; D226-R228 WeakPolarHBondContact OD1-CA 3.37Å; D226-R228 WeakPolarHBondContact OD1-CB 3.4Å; D226-R228 PolarHBondContact OD1-N 2.87Å; D226-K229 HydrophobicContact CB-CB 4.09Å; D226-K229 WeakPolarHBondContact O-CB 3.49Å; D226-K229 PolarHBondContact O-N 3.23Å; D226-K229 VanDerWaalsContact O-N 3.11Å; D226-K229 PolarHBondContact OD1-N 2.98Å; D226-A230 PolarHBondContact O-N 2.81Å; D226-E734 HydrophobicContact CB-CG 3.94Å | ||
| 227 | P | 74.6 | Confident | 83.5 | Confident | 36 Ų | 36 | 60.8 Ų | 60.8 | 23% | 0.234 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -53.4 | -41.1 | 179.8 | -30 | 36.4 | 0 | 0 | 0 | 114.9 | L178 P182 A230 L231 | L178-P227 HydrophobicContact CD1-CB 4.15Å; L178-P227 HydrophobicContact CD2-CB 3.88Å; P182-P227 HydrophobicContact CG-CB 3.63Å; P182-P227 VanDerWaalsContact CG-O 3.27Å; P182-P227 WeakPolarHBondContact CG-O 3.36Å; P227-A230 PolarHBondContact O-N 3.3Å; P227-L231 WeakPolarHBondContact O-CB 3.34Å; P227-L231 PolarHBondContact O-N 2.92Å |
| 228 | R | 72.3 | Confident | 82.8 | Confident | 77 Ų | 77 | 65.8 Ų | 65.8 | 29% | 0.291 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -69 | -36.4 | 179.3 | -163.9 | -164.5 | 58.7 | 61.5 | 4.1 | 111.1 | L178 D226 L231 Q232 V732 | L178-R228 HydrophobicContact CD1-CB 3.74Å; L178-R228 HydrophobicContact CD1-CG 4.19Å; D226-R228 VanDerWaalsContact C-N 3.33Å; D226-R228 PolarHBondContact O-N 2.84Å; D226-R228 VanDerWaalsContact OD1-CA 3.31Å; D226-R228 WeakPolarHBondContact OD1-CA 3.37Å; D226-R228 WeakPolarHBondContact OD1-CB 3.4Å; D226-R228 PolarHBondContact OD1-N 2.87Å; R228-L231 PolarHBondContact O-N 2.94Å; R228-Q232 WeakPolarHBondContact O-CB 3.26Å; R228-Q232 PolarHBondContact O-N 2.96Å; R228-V732 PolarHBondContact NH2-O 3.27Å |
| 229 | K | 80.1 | Confident | 82.5 | Confident | 89 Ų | 89 | 64.4 Ų | 64.4 | 39% | 0.387 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -67 | -40.5 | 172.6 | -171 | 176.4 | -177.1 | 176.1 | 0 | 112.4 | L225 D226 Q232 I233 | L225-K229 HydrophobicContact CB-CD 4.45Å; L225-K229 HydrophobicContact CD2-CD 4.42Å; D226-K229 HydrophobicContact CB-CB 4.09Å; D226-K229 WeakPolarHBondContact O-CB 3.49Å; D226-K229 PolarHBondContact O-N 3.23Å; D226-K229 VanDerWaalsContact O-N 3.11Å; D226-K229 PolarHBondContact OD1-N 2.98Å; K229-Q232 PolarHBondContact O-N 2.89Å; K229-I233 HydrophobicContact CG-CD1 4.32Å; K229-I233 WeakPolarHBondContact O-CG1 3.18Å; K229-I233 PolarHBondContact O-N 2.99Å |
| 230 | A | 81.7 | Confident | 82.4 | Confident | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -62.8 | -43 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | P182 Y183 M222 D226 P227 I233 L234 | P182-A230 HydrophobicContact CG-CB 4.28Å; Y183-A230 HydrophobicContact CD1-CB 3.88Å; Y183-A230 HydrophobicContact CE1-CB 3.76Å; M222-A230 HydrophobicContact CB-CB 4.45Å; M222-A230 HydrophobicContact CE-CB 4.38Å; D226-A230 PolarHBondContact O-N 2.81Å; P227-A230 PolarHBondContact O-N 3.3Å; A230-I233 PolarHBondContact O-N 3.1Å; A230-L234 WeakPolarHBondContact O-CG 3.24Å; A230-L234 PolarHBondContact O-N 2.84Å |
| 231 | L | 78.4 | Confident | 82.4 | Confident | 41 Ų | 41 | 71.5 Ų | 71.5 | 22% | 0.215 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -61.8 | -44.7 | 175.2 | -170.2 | 69.3 | 0 | 0 | 0 | 112.1 | P182 M185 A190 P227 R228 I233 L234 G235 | P182-L231 HydrophobicContact CB-CB 4.45Å; M185-L231 HydrophobicContact CE-CD1 4.08Å; M185-L231 HydrophobicContact SD-CD1 4.06Å; A190-L231 HydrophobicContact CB-CD1 3.74Å; P227-L231 WeakPolarHBondContact O-CB 3.34Å; P227-L231 PolarHBondContact O-N 2.92Å; R228-L231 PolarHBondContact O-N 2.94Å; L231-I233 VanDerWaalsContact C-N 3.3Å; L231-I233 PolarHBondContact O-N 2.88Å; L231-L234 PolarHBondContact O-N 2.8Å; L231-G235 PolarHBondContact O-N 2.85Å |
| 232 | Q | 79 | Confident | 82.5 | Confident | 130 Ų | 130 | 71.9 Ų | 71.9 | 61% | 0.607 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -59.9 | -38.3 | 174.9 | -174 | 178.9 | 7.5 | 0 | 0 | 112.3 | R228 K229 S236 | R228-Q232 WeakPolarHBondContact O-CB 3.26Å; R228-Q232 PolarHBondContact O-N 2.96Å; K229-Q232 PolarHBondContact O-N 2.89Å; Q232-S236 PolarHBondContact O-N 3.3Å |
| 233 | I | 85.4 | Confident | 82.7 | Confident | 59 Ų | 59 | 72.8 Ų | 72.8 | 30% | 0.303 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -68.1 | -45.9 | 175.5 | -71.4 | 164.5 | 0 | 0 | 0 | 110.7 | M222 L225 K229 A230 L231 G235 S236 Y239 | M222-I233 HydrophobicContact SD-CB 4.19Å; M222-I233 HydrophobicContact SD-CD1 4.49Å; M222-I233 HydrophobicContact SD-CG2 3.66Å; L225-I233 HydrophobicContact CD1-CD1 3.43Å; L225-I233 VanDerWaalsContact CD1-CD1 3.43Å; K229-I233 HydrophobicContact CG-CD1 4.32Å; K229-I233 WeakPolarHBondContact O-CG1 3.18Å; K229-I233 PolarHBondContact O-N 2.99Å; A230-I233 PolarHBondContact O-N 3.1Å; L231-I233 VanDerWaalsContact C-N 3.3Å; L231-I233 PolarHBondContact O-N 2.88Å; I233-G235 PolarHBondContact O-N 2.71Å; I233-S236 WeakPolarHBondContact O-CB 3.22Å; I233-S236 PolarHBondContact O-N 2.94Å; I233-S236 VanDerWaalsContact O-N 3.07Å; I233-Y239 HydrophobicContact CG2-CD2 3.65Å; I233-Y239 HydrophobicContact CG2-CE2 3.99Å; I233-Y239 WeakPolarHBondContact O-CB 3.39Å |
| 234 | L | 84.5 | Confident | 83.1 | Confident | 1 Ų | 1 | 67.7 Ų | 67.7 | 1% | 0.005 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -58.9 | -43 | 178.4 | -76.4 | 160.3 | 0 | 0 | 0 | 112.9 | P182 M185 A190 M222 A230 L231 S236 Y239 | P182-L234 WeakPolarHBondContact O-CD1 3.29Å; M185-L234 HydrophobicContact CB-CD1 4.33Å; A190-L234 HydrophobicContact CB-CB 3.73Å; M222-L234 HydrophobicContact CE-CD1 4.3Å; M222-L234 HydrophobicContact CE-CD2 4.26Å; M222-L234 HydrophobicContact CE-CG 4.03Å; A230-L234 WeakPolarHBondContact O-CG 3.24Å; A230-L234 PolarHBondContact O-N 2.84Å; L231-L234 PolarHBondContact O-N 2.8Å; L234-S236 PolarHBondContact O-N 2.92Å; L234-Y239 HydrophobicContact CD2-CD1 4.47Å; L234-Y239 HydrophobicContact CD2-CE1 3.72Å; L234-Y239 HydrophobicContact CD2-CE2 4.23Å; L234-Y239 WeakPolarHBondContact CD2-OH 3.38Å |
| 235 | G | 78 | Confident | 83.4 | Confident | 41 Ų | 41 | 69.6 Ų | 69.6 | 42% | 0.423 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -13.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | L231 I233 | L231-G235 PolarHBondContact O-N 2.85Å; I233-G235 PolarHBondContact O-N 2.71Å |
| 236 | S | 81.8 | Confident | 83.7 | Confident | 50 Ų | 50 | 71.6 Ų | 71.6 | 35% | 0.35 | 36% | 0.36 | S | S | . | . | trans | -67.1 | 135.1 | -176.1 | -176.2 | 0 | 0 | 0 | 0 | 113 | Q232 I233 L234 N238 Y239 K264 | Q232-S236 PolarHBondContact O-N 3.3Å; I233-S236 WeakPolarHBondContact O-CB 3.22Å; I233-S236 PolarHBondContact O-N 2.94Å; I233-S236 VanDerWaalsContact O-N 3.07Å; L234-S236 PolarHBondContact O-N 2.92Å; S236-N238 PolarHBondContact O-N 3.32Å; S236-N238 PolarHBondContact OG-N 3.07Å; S236-Y239 VanDerWaalsContact O-CB 3.25Å; S236-Y239 WeakPolarHBondContact O-CB 3.36Å; S236-Y239 PolarHBondContact O-N 3.16Å; S236-K264 PolarHBondContact O-NZ 2.83Å | ||
| 237 | R | 79.3 | Confident | 84.1 | Confident | 231 Ų | 231 | 76.9 Ų | 76.9 | 87% | 0.872 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53 | -39.2 | 170.8 | -68 | -173.1 | -179.1 | -170.7 | 3.1 | 111.4 | Y239 K264 | R237-Y239 PolarHBondContact O-N 3.06Å; R237-K264 PolarHBondContact O-NZ 2.71Å |
| 238 | N | 80.7 | Confident | 84.7 | Confident | 142 Ų | 142 | 83.8 Ų | 83.8 | 76% | 0.759 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -2.4 | -176.9 | -66.1 | -11.6 | 0 | 0 | 0 | 114.2 | S236 K240 | S236-N238 PolarHBondContact O-N 3.32Å; S236-N238 PolarHBondContact OG-N 3.07Å; N238-K240 PolarHBondContact O-N 2.79Å |
| 239 | Y | 86 | Confident | 85.7 | Confident | 24 Ų | 24 | 85 Ų | 85 | 9% | 0.094 | 41% | 0.413 | C | S | . | . | P | Polyproline II helix | trans | -54.8 | 125 | 176.6 | 177.4 | -114.8 | 0 | 0 | 0 | 111.7 | P187 W206 M222 I233 L234 S236 R237 P242 K264 | P187-Y239 HydrophobicContact CB-CD1 4.16Å; P187-Y239 HydrophobicContact CB-CE1 4.31Å; W206-Y239 AromaticContact CH2-CE1 3.74Å; W206-Y239 HydrophobicContact CH2-CE1 3.74Å; W206-Y239 AromaticContact CZ2-CE1 3.85Å; W206-Y239 HydrophobicContact CZ2-CE1 3.85Å; M222-Y239 HydrophobicContact CE-CE2 4.48Å; M222-Y239 HydrophobicContact SD-CE2 4.38Å; I233-Y239 HydrophobicContact CG2-CD2 3.65Å; I233-Y239 HydrophobicContact CG2-CE2 3.99Å; I233-Y239 WeakPolarHBondContact O-CB 3.39Å; L234-Y239 HydrophobicContact CD2-CD1 4.47Å; L234-Y239 HydrophobicContact CD2-CE1 3.72Å; L234-Y239 HydrophobicContact CD2-CE2 4.23Å; L234-Y239 WeakPolarHBondContact CD2-OH 3.38Å; S236-Y239 VanDerWaalsContact O-CB 3.25Å; S236-Y239 WeakPolarHBondContact O-CB 3.36Å; S236-Y239 PolarHBondContact O-N 3.16Å; R237-Y239 PolarHBondContact O-N 3.06Å; Y239-P242 WeakPolarHBondContact OH-CD 3.23Å; Y239-K264 HydrophobicContact CD1-CD 4.47Å; Y239-K264 WeakPolarHBondContact O-CD 3.21Å; Y239-K264 PolarHBondContact O-NZ 2.73Å |
| 240 | K | 90.1 | Very high | 86.4 | Confident | 177 Ų | 177 | 81.8 Ų | 81.8 | 77% | 0.77 | 40% | 0.399 | S | S | * | . | P | Polyproline II helix | trans | -99.5 | 133.3 | 173.5 | -64.4 | 177.5 | -177.6 | 174.6 | 0 | 108.1 | N238 | N238-K240 PolarHBondContact O-N 2.79Š|
| 241 | P | 92.7 | Very high | 87 | Confident | 56 Ų | 56 | 83.4 Ų | 83.4 | 36% | 0.364 | 41% | 0.41 | S | S | . | . | P | Polyproline II helix | trans | -55.5 | 141.5 | 171.2 | -25.5 | 35.2 | 0 | 0 | 0 | 111.9 | W206 L262 K264 | W206-P241 HydrophobicContact CH2-CB 4.06Å; W206-P241 HydrophobicContact CH2-CG 4.29Å; W206-P241 HydrophobicContact CZ3-CB 4.41Å; W206-P241 HydrophobicContact CZ3-CG 4.43Å; P241-L262 HydrophobicContact CB-CB 4.02Å; P241-L262 WeakPolarHBondContact CB-O 3.36Å; P241-L262 WeakPolarHBondContact CG-O 3.47Å; P241-K264 HydrophobicContact CG-CB 4.08Å |
| 242 | P | 93.9 | Very high | 87.9 | Confident | 30 Ų | 30 | 86.8 Ų | 86.8 | 20% | 0.195 | 43% | 0.434 | C | S | . | . | P | Polyproline II helix | trans | -72.5 | 164.2 | -180 | 28.2 | -31.9 | 0 | 0 | 0 | 111.9 | I210 I213 P221 Y239 L262 | I210-P242 HydrophobicContact CD1-CG 3.89Å; I213-P242 HydrophobicContact CD1-CB 4.42Å; I213-P242 HydrophobicContact CD1-CG 4.29Å; P221-P242 HydrophobicContact CB-CB 3.82Å; P221-P242 HydrophobicContact CB-CG 3.98Å; P221-P242 HydrophobicContact CG-CB 3.7Å; P221-P242 HydrophobicContact CG-CG 3.67Å; Y239-P242 WeakPolarHBondContact OH-CD 3.23Å; P242-L262 HydrophobicContact CG-CD1 3.88Å |
| 243 | S | 93.5 | Very high | 88.7 | Confident | 51 Ų | 51 | 84.6 Ų | 84.6 | 36% | 0.357 | 43% | 0.426 | S | S | . | . | trans | -142.5 | 158 | 171.8 | 66.4 | 0 | 0 | 0 | 0 | 109.1 | Q245 R247 | S243-Q245 PolarHBondContact O-N 3.45Å; S243-R247 PolarHBondContact OG-NH2 3.22Å | ||
| 244 | L | 93.9 | Very high | 89.2 | Confident | 1 Ų | 1 | 81.8 Ų | 81.8 | 1% | 0.005 | 41% | 0.412 | C | S | . | . | trans | -50.2 | 137.4 | 171.7 | -60.9 | 164.8 | 0 | 0 | 0 | 110.8 | I213 A216 E217 W250 F254 I258 | I213-L244 HydrophobicContact CB-CD2 4.41Å; I213-L244 HydrophobicContact CG1-CD2 4.09Å; I213-L244 HydrophobicContact CG2-CD2 4.27Å; A216-L244 HydrophobicContact CB-CD2 3.59Å; E217-L244 HydrophobicContact CG-CD2 4.22Å; E217-L244 WeakPolarHBondContact OE1-CA 3.36Å; L244-W250 HydrophobicContact CD1-CB 3.89Å; L244-W250 HydrophobicContact CD1-CD2 4.39Å; L244-W250 HydrophobicContact CD1-CG 3.72Å; L244-F254 HydrophobicContact CD1-CD1 3.73Å; L244-F254 HydrophobicContact CD1-CE1 3.67Å; L244-F254 HydrophobicContact CD1-CG 4.3Å; L244-F254 HydrophobicContact CD1-CZ 4.2Å; L244-F254 HydrophobicContact CD2-CE1 4.48Å; L244-I258 HydrophobicContact CD1-CD1 3.53Å; L244-I258 HydrophobicContact CD2-CD1 4.01Å; L244-I258 HydrophobicContact CG-CD1 3.62Å | ||
| 245 | Q | 88.9 | Confident | 89.8 | Confident | 146 Ų | 146 | 83.7 Ų | 83.7 | 68% | 0.682 | 42% | 0.42 | S | S | * | . | S | Bend | trans | -70.9 | -50.2 | -172 | -64.7 | 176.1 | 51 | 0 | 0 | 111.4 | E217 S243 R247 | E217-Q245 PolarHBondContact OE1-N 3.23Å; E217-Q245 WeakPolarHBondContact OE2-CG 3.38Å; E217-Q245 PolarHBondContact OE2-NE2 3.05Å; S243-Q245 PolarHBondContact O-N 3.45Å; Q245-R247 PolarHBondContact O-N 2.6Å |
| 246 | D | 86.2 | Confident | 90.7 | Very high | 79 Ų | 79 | 84 Ų | 84 | 42% | 0.422 | 42% | 0.416 | S | S | . | . | trans | -82.6 | 110.2 | 172.4 | -171.3 | -28 | 0 | 0 | 0 | 109.5 | H248 K249 W250 | D246-H248 VanDerWaalsContact C-N 3.34Å; D246-H248 PolarHBondContact OD1-N 3.44Å; D246-K249 HydrophobicContact CB-CB 3.93Å; D246-K249 VanDerWaalsContact CG-CB 3.42Å; D246-K249 PolarHBondContact OD1-N 3.22Å; D246-K249 WeakPolarHBondContact OD2-CB 3.4Å; D246-W250 VanDerWaalsContact O-CD1 3.23Å | ||
| 247 | R | 85.3 | Confident | 91.5 | Very high | 153 Ų | 153 | 81.6 Ų | 81.6 | 58% | 0.577 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -74.5 | -23.5 | 180 | -65.5 | -172.7 | 179.3 | -70 | -14.6 | 113.6 | S243 Q245 H255 | S243-R247 PolarHBondContact OG-NH2 3.22Å; Q245-R247 PolarHBondContact O-N 2.6Å; R247-H255 PolarHBondContact O-NE2 3.09Å |
| 248 | H | 87.8 | Confident | 92.4 | Very high | 181 Ų | 181 | 70.8 Ų | 70.8 | 84% | 0.838 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -99.7 | -23.5 | -169.1 | -62.7 | -77.3 | 0 | 0 | 0 | 112.9 | D246 W250 | D246-H248 VanDerWaalsContact C-N 3.34Å; D246-H248 PolarHBondContact OD1-N 3.44Å; H248-W250 PolarHBondContact O-N 3.36Å |
| 249 | K | 91.9 | Very high | 93.2 | Very high | 103 Ų | 103 | 71.9 Ų | 71.9 | 45% | 0.448 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -62.8 | -26.4 | 172.5 | 178.8 | -179.1 | 173.3 | -163.2 | 0 | 114.1 | D246 | D246-K249 HydrophobicContact CB-CB 3.93Å; D246-K249 VanDerWaalsContact CG-CB 3.42Å; D246-K249 PolarHBondContact OD1-N 3.22Å; D246-K249 WeakPolarHBondContact OD2-CB 3.4Å |
| 250 | W | 94.9 | Very high | 93.7 | Very high | 22 Ų | 22 | 72.5 Ų | 72.5 | 8% | 0.083 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -123.8 | 146.5 | -165.2 | -55.5 | 117.1 | 0 | 0 | 0 | 113.4 | P114 E117 A216 L244 D246 H248 F254 H255 | P114-W250 HydrophobicContact CB-CH2 4.38Å; E117-W250 HydrophobicContact CG-CE3 3.71Å; E117-W250 HydrophobicContact CG-CZ3 3.96Å; E117-W250 VanDerWaalsContact OE1-CA 3.26Å; E117-W250 WeakPolarHBondContact OE1-CA 3.43Å; A216-W250 HydrophobicContact CB-CH2 3.83Å; A216-W250 HydrophobicContact CB-CZ2 3.46Å; A216-W250 VanDerWaalsContact CB-CZ2 3.46Å; A216-W250 VanDerWaalsContact O-CZ2 3.32Å; A216-W250 WeakPolarHBondContact O-CZ2 3.49Å; L244-W250 HydrophobicContact CD1-CB 3.89Å; L244-W250 HydrophobicContact CD1-CD2 4.39Å; L244-W250 HydrophobicContact CD1-CG 3.72Å; D246-W250 VanDerWaalsContact O-CD1 3.23Å; H248-W250 PolarHBondContact O-N 3.36Å; W250-F254 HydrophobicContact CB-CD1 4.05Å; W250-F254 HydrophobicContact CD2-CD1 4.12Å; W250-F254 HydrophobicContact CD2-CE1 4.04Å; W250-F254 AromaticContact CE3-CD1 3.93Å; W250-F254 HydrophobicContact CE3-CD1 3.93Å; W250-F254 AromaticContact CE3-CE1 3.89Å; W250-F254 HydrophobicContact CE3-CE1 3.89Å; W250-F254 HydrophobicContact CG-CD1 4.23Å; W250-F254 HydrophobicContact CG-CE1 4.45Å; W250-F254 HydrophobicContact CZ3-CE1 4.23Å; W250-H255 PolarHBondContact O-CD2 3.38Å |
| 251 | S | 95.8 | Very high | 94.1 | Very high | 34 Ų | 34 | 64 Ų | 64 | 24% | 0.238 | 33% | 0.327 | C | S | . | . | trans | -68.7 | 151.7 | -171.8 | 80 | 0 | 0 | 0 | 0 | 113.7 | E117 L253 F254 H255 | E117-S251 PolarHBondContact OE1-N 3.05Å; E117-S251 WeakPolarHBondContact OE2-CB 3.44Å; E117-S251 PolarHBondContact OE2-OG 2.84Å; S251-L253 PolarHBondContact O-N 3.07Å; S251-L253 PolarHBondContact OG-N 3.43Å; S251-F254 PolarHBondContact O-N 3.08Å; S251-F254 VanDerWaalsContact O-N 3.11Å; S251-F254 PolarHBondContact OG-N 3.49Å; S251-F254 VanDerWaalsContact OG-N 3.08Å; S251-H255 PolarHBondContact O-CD2 3.29Å; S251-H255 VanDerWaalsContact O-CD2 3.28Å; S251-H255 PolarHBondContact O-N 3.05Å | ||
| 252 | P | 95.6 | Very high | 94.3 | Very high | 111 Ų | 111 | 61.6 Ų | 61.6 | 72% | 0.721 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -58.2 | -27 | 172 | -25.5 | 35.2 | 0 | 0 | 0 | 113.7 | S256 | P252-S256 VanDerWaalsContact O-CB 3.25Å; P252-S256 WeakPolarHBondContact O-CB 3.43Å; P252-S256 PolarHBondContact O-N 3.11Å |
| 253 | L | 95.8 | Very high | 94.3 | Very high | 84 Ų | 84 | 62.6 Ų | 62.6 | 44% | 0.44 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -70.4 | -42.7 | 175.3 | -66.7 | 178.9 | 0 | 0 | 0 | 111.3 | S251 S256 F257 H278 N279 F280 | S251-L253 PolarHBondContact O-N 3.07Å; S251-L253 PolarHBondContact OG-N 3.43Å; L253-S256 WeakPolarHBondContact O-CB 3.29Å; L253-S256 PolarHBondContact O-N 3.49Å; L253-F257 PolarHBondContact O-N 3.47Å; L253-H278 VanDerWaalsContact C-CE1 3.43Å; L253-H278 PolarHBondContact O-CE1 3.37Å; L253-N279 HydrophobicContact CD2-CB 4.02Å; L253-F280 HydrophobicContact CB-CB 4.33Å; L253-F280 HydrophobicContact CB-CD2 4.26Å |
| 254 | F | 97.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -67 | -44.3 | 177.4 | -171.5 | -160 | 0 | 0 | 0 | 112 | E117 I120 A212 A216 L244 W250 S251 S256 F257 I258 F280 | E117-F254 HydrophobicContact CG-CD1 3.75Å; E117-F254 HydrophobicContact CG-CE1 4.29Å; E117-F254 HydrophobicContact CG-CG 4.37Å; E117-F254 WeakPolarHBondContact OE2-CB 3.38Å; I120-F254 HydrophobicContact CD1-CE1 4.11Å; I120-F254 HydrophobicContact CD1-CZ 3.86Å; I120-F254 HydrophobicContact CG2-CE2 3.82Å; I120-F254 HydrophobicContact CG2-CZ 3.85Å; A212-F254 HydrophobicContact CB-CE2 4.07Å; A216-F254 HydrophobicContact CB-CE1 4.04Å; A216-F254 HydrophobicContact CB-CZ 4.09Å; L244-F254 HydrophobicContact CD1-CD1 3.73Å; L244-F254 HydrophobicContact CD1-CE1 3.67Å; L244-F254 HydrophobicContact CD1-CG 4.3Å; L244-F254 HydrophobicContact CD1-CZ 4.2Å; L244-F254 HydrophobicContact CD2-CE1 4.48Å; W250-F254 HydrophobicContact CB-CD1 4.05Å; W250-F254 HydrophobicContact CD2-CD1 4.12Å; W250-F254 HydrophobicContact CD2-CE1 4.04Å; W250-F254 AromaticContact CE3-CD1 3.93Å; W250-F254 HydrophobicContact CE3-CD1 3.93Å; W250-F254 AromaticContact CE3-CE1 3.89Å; W250-F254 HydrophobicContact CE3-CE1 3.89Å; W250-F254 HydrophobicContact CG-CD1 4.23Å; W250-F254 HydrophobicContact CG-CE1 4.45Å; W250-F254 HydrophobicContact CZ3-CE1 4.23Å; S251-F254 PolarHBondContact O-N 3.08Å; S251-F254 VanDerWaalsContact O-N 3.11Å; S251-F254 PolarHBondContact OG-N 3.49Å; S251-F254 VanDerWaalsContact OG-N 3.08Å; F254-S256 VanDerWaalsContact C-N 3.26Å; F254-S256 PolarHBondContact O-N 3.13Å; F254-F257 PolarHBondContact O-N 3.15Å; F254-I258 HydrophobicContact CD2-CD1 3.88Å; F254-I258 HydrophobicContact CD2-CG1 4.12Å; F254-I258 HydrophobicContact CE2-CD1 3.55Å; F254-I258 HydrophobicContact CE2-CG1 3.92Å; F254-I258 HydrophobicContact CG-CD1 4.49Å; F254-I258 HydrophobicContact CZ-CD1 3.88Å; F254-I258 PolarHBondContact O-N 2.84Å; F254-F280 HydrophobicContact CB-CD2 3.96Å; F254-F280 HydrophobicContact CB-CE2 3.53Å; F254-F280 HydrophobicContact CB-CZ 3.95Å; F254-F280 HydrophobicContact CD1-CZ 4.43Å; F254-F280 HydrophobicContact CD2-CD1 4.28Å; F254-F280 AromaticContact CD2-CE1 3.53Å; F254-F280 HydrophobicContact CD2-CE1 3.53Å; F254-F280 AromaticContact CD2-CE2 3.81Å; F254-F280 HydrophobicContact CD2-CE2 3.81Å; F254-F280 AromaticContact CD2-CZ 3.26Å; F254-F280 HydrophobicContact CD2-CZ 3.26Å; F254-F280 AromaticContact CE2-CE1 3.96Å; F254-F280 HydrophobicContact CE2-CE1 3.96Å; F254-F280 AromaticContact CE2-CZ 3.8Å; F254-F280 HydrophobicContact CE2-CZ 3.8Å; F254-F280 HydrophobicContact CG-CE1 4.34Å; F254-F280 AromaticContact CG-CE2 3.77Å; F254-F280 HydrophobicContact CG-CE2 3.77Å; F254-F280 AromaticContact CG-CZ 3.65Å; F254-F280 HydrophobicContact CG-CZ 3.65Å |
| 255 | H | 96.9 | Very high | 93.8 | Very high | 41 Ų | 41 | 65.8 Ų | 65.8 | 19% | 0.19 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -58.2 | -37.3 | 170.8 | -77.6 | -77.9 | 0 | 0 | 0 | 112.3 | R247 W250 S251 K259 | R247-H255 PolarHBondContact O-NE2 3.09Å; W250-H255 PolarHBondContact O-CD2 3.38Å; S251-H255 PolarHBondContact O-CD2 3.29Å; S251-H255 VanDerWaalsContact O-CD2 3.28Å; S251-H255 PolarHBondContact O-N 3.05Å; H255-K259 WeakPolarHBondContact O-CB 3.16Å; H255-K259 PolarHBondContact O-N 3.18Å; H255-K259 VanDerWaalsContact O-N 3.07Å |
| 256 | S | 96.8 | Very high | 93.7 | Very high | 47 Ų | 47 | 61 Ų | 61 | 33% | 0.329 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -65.9 | -45 | 175 | -177.2 | 0 | 0 | 0 | 0 | 112.1 | P252 L253 F254 K259 C260 H278 | P252-S256 VanDerWaalsContact O-CB 3.25Å; P252-S256 WeakPolarHBondContact O-CB 3.43Å; P252-S256 PolarHBondContact O-N 3.11Å; L253-S256 WeakPolarHBondContact O-CB 3.29Å; L253-S256 PolarHBondContact O-N 3.49Å; F254-S256 VanDerWaalsContact C-N 3.26Å; F254-S256 PolarHBondContact O-N 3.13Å; S256-K259 PolarHBondContact O-N 3.07Å; S256-C260 PolarHBondContact O-N 2.96Å; S256-C260 PolarHBondContact O-SG 2.71Å; S256-H278 WeakPolarHBondContact CA-NE2 3.48Å; S256-H278 WeakPolarHBondContact CB-CE1 3.41Å; S256-H278 WeakPolarHBondContact CB-NE2 3.37Å; S256-H278 PolarHBondContact O-NE2 2.94Å; S256-H278 VanDerWaalsContact O-NE2 3.11Å; S256-H278 PolarHBondContact OG-NE2 3.11Å |
| 257 | F | 98 | Very high | 93.8 | Very high | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -59.5 | -51.7 | 178.7 | 179.3 | -97.5 | 0 | 0 | 0 | 111.6 | L128 V208 A212 L253 F254 K259 C260 C261 M275 H278 F280 I281 | L128-F257 HydrophobicContact CD1-CE2 4.05Å; L128-F257 HydrophobicContact CD1-CZ 3.98Å; V208-F257 HydrophobicContact CG1-CE1 4.28Å; V208-F257 HydrophobicContact CG1-CZ 4.08Å; A212-F257 HydrophobicContact CB-CE1 4.36Å; L253-F257 PolarHBondContact O-N 3.47Å; F254-F257 PolarHBondContact O-N 3.15Å; F257-K259 VanDerWaalsContact C-N 3.31Å; F257-K259 PolarHBondContact O-N 3.18Å; F257-C260 WeakPolarHBondContact O-CB 3.33Å; F257-C260 PolarHBondContact O-N 3.31Å; F257-C260 VanDerWaalsContact O-N 3.12Å; F257-C261 PolarHBondContact O-N 3.39Å; F257-M275 HydrophobicContact CD2-CE 3.31Å; F257-M275 HydrophobicContact CE2-CE 3.21Å; F257-M275 HydrophobicContact CG-CE 4.14Å; F257-M275 HydrophobicContact CZ-CE 3.97Å; F257-H278 HydrophobicContact CD2-CB 4.36Å; F257-H278 AromaticContact CD2-ND1 3.9Å; F257-H278 PolarHBondContact N-CE1 3.09Å; F257-H278 PolarHBondContact N-NE2 3.47Å; F257-H278 VanDerWaalsContact N-NE2 3.19Å; F257-F280 HydrophobicContact CB-CB 3.84Å; F257-F280 HydrophobicContact CB-CD1 3.62Å; F257-F280 HydrophobicContact CB-CE1 4.44Å; F257-F280 HydrophobicContact CB-CG 3.91Å; F257-F280 AromaticContact CD1-CD1 3.77Å; F257-F280 HydrophobicContact CD1-CD1 3.77Å; F257-F280 HydrophobicContact CD1-CE1 4.03Å; F257-F280 HydrophobicContact CD2-CB 4.22Å; F257-F280 AromaticContact CD2-CD1 3.79Å; F257-F280 HydrophobicContact CD2-CD1 3.79Å; F257-F280 HydrophobicContact CD2-CG 4.48Å; F257-F280 HydrophobicContact CE1-CD1 4.38Å; F257-F280 HydrophobicContact CE1-CE1 4.5Å; F257-F280 HydrophobicContact CE2-CD1 4.39Å; F257-F280 HydrophobicContact CG-CB 4.26Å; F257-F280 AromaticContact CG-CD1 3.45Å; F257-F280 HydrophobicContact CG-CD1 3.45Å; F257-F280 VanDerWaalsContact CG-CD1 3.45Å; F257-F280 HydrophobicContact CG-CE1 4.18Å; F257-F280 HydrophobicContact CG-CG 4.19Å; F257-I281 HydrophobicContact CD2-CG2 4.07Å; F257-I281 HydrophobicContact CE2-CD1 4.1Å; F257-I281 HydrophobicContact CE2-CG1 4.36Å; F257-I281 HydrophobicContact CE2-CG2 3.69Å; F257-I281 HydrophobicContact CZ-CG2 4.2Å |
| 258 | I | 97.9 | Very high | 94.2 | Very high | 5 Ų | 5 | 70.6 Ų | 70.6 | 3% | 0.026 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -58.9 | -43.3 | 176.7 | -69.1 | 171 | 0 | 0 | 0 | 110.8 | A212 I213 L244 F254 C260 C261 L262 | A212-I258 HydrophobicContact CB-CG1 4.37Å; I213-I258 HydrophobicContact CD1-CG2 4.04Å; I213-I258 HydrophobicContact CG1-CD1 3.91Å; I213-I258 HydrophobicContact CG1-CG2 4.27Å; L244-I258 HydrophobicContact CD1-CD1 3.53Å; L244-I258 HydrophobicContact CD2-CD1 4.01Å; L244-I258 HydrophobicContact CG-CD1 3.62Å; F254-I258 HydrophobicContact CD2-CD1 3.88Å; F254-I258 HydrophobicContact CD2-CG1 4.12Å; F254-I258 HydrophobicContact CE2-CD1 3.55Å; F254-I258 HydrophobicContact CE2-CG1 3.92Å; F254-I258 HydrophobicContact CG-CD1 4.49Å; F254-I258 HydrophobicContact CZ-CD1 3.88Å; F254-I258 PolarHBondContact O-N 2.84Å; I258-C260 VanDerWaalsContact C-N 3.29Å; I258-C260 PolarHBondContact O-N 2.88Å; I258-C261 PolarHBondContact O-N 2.79Å; I258-L262 HydrophobicContact CG2-CD1 3.61Å; I258-L262 HydrophobicContact CG2-CG 4.19Å; I258-L262 WeakPolarHBondContact O-CB 3.28Å; I258-L262 WeakPolarHBondContact O-CG 3.32Å; I258-L262 PolarHBondContact O-N 3.34Å |
| 259 | K | 97 | Very high | 94.5 | Very high | 164 Ų | 164 | 62.2 Ų | 62.2 | 71% | 0.713 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -63.9 | -31.1 | 178 | -176.9 | -178.4 | 177.6 | -173.9 | 0 | 113.2 | H255 S256 F257 I263 | H255-K259 WeakPolarHBondContact O-CB 3.16Å; H255-K259 PolarHBondContact O-N 3.18Å; H255-K259 VanDerWaalsContact O-N 3.07Å; S256-K259 PolarHBondContact O-N 3.07Å; F257-K259 VanDerWaalsContact C-N 3.31Å; F257-K259 PolarHBondContact O-N 3.18Å; K259-I263 WeakPolarHBondContact O-CG1 3.16Å |
| 260 | C | 97.3 | Very high | 94.7 | Very high | 37 Ų | 37 | 58.3 Ų | 58.3 | 25% | 0.25 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -73.2 | -44.3 | 172.9 | -76.5 | 0 | 0 | 0 | 0 | 112.1 | S256 F257 I258 I263 P270 M275 | S256-C260 PolarHBondContact O-N 2.96Å; S256-C260 PolarHBondContact O-SG 2.71Å; F257-C260 WeakPolarHBondContact O-CB 3.33Å; F257-C260 PolarHBondContact O-N 3.31Å; F257-C260 VanDerWaalsContact O-N 3.12Å; I258-C260 VanDerWaalsContact C-N 3.29Å; I258-C260 PolarHBondContact O-N 2.88Å; C260-I263 WeakPolarHBondContact O-CG1 3.45Å; C260-P270 HydrophobicContact CB-CG 4.35Å; C260-P270 VanDerWaalsContact O-CD 3.31Å; C260-P270 WeakPolarHBondContact O-CD 3.36Å; C260-M275 HydrophobicContact CB-CE 4.17Å; C260-M275 HydrophobicContact CB-SD 3.76Å |
| 261 | C | 97.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.7 | -46.2 | 174.9 | -69.7 | 0 | 0 | 0 | 0 | 112.3 | I205 G209 F257 I258 I263 R269 M275 | I205-C261 HydrophobicContact CG2-CB 4.49Å; I205-C261 WeakPolarHBondContact O-CB 3.33Å; G209-C261 VanDerWaalsContact CA-CB 3.46Å; F257-C261 PolarHBondContact O-N 3.39Å; I258-C261 PolarHBondContact O-N 2.79Å; C261-I263 VanDerWaalsContact C-N 3.26Å; C261-I263 PolarHBondContact O-N 3.46Å; C261-I263 VanDerWaalsContact O-N 3.13Å; C261-R269 WeakPolarHBondContact O-CD 3.31Å; C261-R269 WeakPolarHBondContact O-CG 3.33Å; C261-R269 PolarHBondContact O-NE 3.29Å; C261-M275 VanDerWaalsContact SG-CE 3.56Å |
| 262 | L | 96.9 | Very high | 94.8 | Very high | 5 Ų | 5 | 58.8 Ų | 58.8 | 3% | 0.026 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | 33.9 | -170.6 | -55.9 | -177.1 | 0 | 0 | 0 | 113.8 | W206 I210 I213 P241 P242 I258 K264 | W206-L262 HydrophobicContact CD2-CD2 3.63Å; W206-L262 HydrophobicContact CE3-CB 4.22Å; W206-L262 HydrophobicContact CE3-CD2 3.88Å; W206-L262 HydrophobicContact CG-CD2 3.99Å; W206-L262 HydrophobicContact CH2-CB 4.3Å; W206-L262 HydrophobicContact CH2-CD2 4.38Å; W206-L262 HydrophobicContact CZ2-CD2 4.18Å; W206-L262 HydrophobicContact CZ3-CB 3.97Å; W206-L262 HydrophobicContact CZ3-CD2 4.26Å; W206-L262 VanDerWaalsContact CZ3-O 3.32Å; W206-L262 WeakPolarHBondContact CZ3-O 3.07Å; I210-L262 HydrophobicContact CD1-CD1 4.12Å; I210-L262 HydrophobicContact CD1-CD2 3.8Å; I210-L262 HydrophobicContact CG1-CD2 4.01Å; I213-L262 HydrophobicContact CD1-CD1 3.87Å; P241-L262 HydrophobicContact CB-CB 4.02Å; P241-L262 WeakPolarHBondContact CB-O 3.36Å; P241-L262 WeakPolarHBondContact CG-O 3.47Å; P242-L262 HydrophobicContact CG-CD1 3.88Å; I258-L262 HydrophobicContact CG2-CD1 3.61Å; I258-L262 HydrophobicContact CG2-CG 4.19Å; I258-L262 WeakPolarHBondContact O-CB 3.28Å; I258-L262 WeakPolarHBondContact O-CG 3.32Å; I258-L262 PolarHBondContact O-N 3.34Å; L262-K264 PolarHBondContact O-N 2.89Å |
| 263 | I | 94.8 | Very high | 94.8 | Very high | 51 Ų | 51 | 55.7 Ų | 55.7 | 26% | 0.262 | 27% | 0.271 | S | S | . | . | trans | -71.2 | 113 | 171.4 | -65.5 | 176.3 | 0 | 0 | 0 | 109.1 | K259 C260 C261 A265 R268 R269 | K259-I263 WeakPolarHBondContact O-CG1 3.16Å; C260-I263 WeakPolarHBondContact O-CG1 3.45Å; C261-I263 VanDerWaalsContact C-N 3.26Å; C261-I263 PolarHBondContact O-N 3.46Å; C261-I263 VanDerWaalsContact O-N 3.13Å; I263-A265 HydrophobicContact CG2-CB 4.48Å; I263-A265 PolarHBondContact O-N 2.9Å; I263-A265 VanDerWaalsContact O-N 3.15Å; I263-R268 WeakPolarHBondContact CD1-O 3.48Å; I263-R268 HydrophobicContact CG2-CB 3.85Å; I263-R269 HydrophobicContact CB-CB 4.17Å; I263-R269 HydrophobicContact CB-CG 4.29Å; I263-R269 PolarHBondContact O-NE 3.17Å; I263-R269 PolarHBondContact O-NH2 2.88Å | ||
| 264 | K | 89.9 | Confident | 94.9 | Very high | 70 Ų | 70 | 55.1 Ų | 55.1 | 30% | 0.304 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -57.7 | -26.2 | -179.1 | -175.7 | 171 | -173.4 | 177.3 | 0 | 114.2 | P187 S236 R237 Y239 P241 L262 | P187-K264 HydrophobicContact CB-CG 4.42Å; P187-K264 HydrophobicContact CG-CG 3.94Å; S236-K264 PolarHBondContact O-NZ 2.83Å; R237-K264 PolarHBondContact O-NZ 2.71Å; Y239-K264 HydrophobicContact CD1-CD 4.47Å; Y239-K264 WeakPolarHBondContact O-CD 3.21Å; Y239-K264 PolarHBondContact O-NZ 2.73Å; P241-K264 HydrophobicContact CG-CB 4.08Å; L262-K264 PolarHBondContact O-N 2.89Å |
| 265 | A | 87.4 | Confident | 94.9 | Very high | 49 Ų | 49 | 55.2 Ų | 55.2 | 41% | 0.405 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -95 | 99.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | I263 R267 R268 R269 | I263-A265 HydrophobicContact CG2-CB 4.48Å; I263-A265 PolarHBondContact O-N 2.9Å; I263-A265 VanDerWaalsContact O-N 3.15Å; A265-R267 VanDerWaalsContact C-N 3.29Å; A265-R267 PolarHBondContact O-N 2.93Å; A265-R267 VanDerWaalsContact O-N 3.14Å; A265-R268 HydrophobicContact CB-CB 4.3Å; A265-R268 HydrophobicContact CB-CG 4.49Å; A265-R268 CarbonylContact O-C 3.55Å; A265-R268 WeakPolarHBondContact O-CA 3.49Å; A265-R268 PolarHBondContact O-N 3.32Å; A265-R269 PolarHBondContact O-N 2.86Å; A265-R269 VanDerWaalsContact O-N 3.08Å |
| 266 | E | 87.2 | Confident | 94.9 | Very high | 44 Ų | 44 | 55.2 Ų | 55.2 | 21% | 0.206 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -31.4 | -56.2 | 172.4 | 179.3 | -166.2 | -137.2 | 0 | 0 | 113.8 | E188 D200 K202 R268 R269 | E188-E266 HydrophobicContact CG-CB 4.23Å; E188-E266 HydrophobicContact CG-CG 4.46Å; D200-E266 PolarHBondContact N-OE1 2.99Å; K202-E266 HydrophobicContact CB-CG 4.37Å; E266-R268 PolarHBondContact O-N 2.85Å; E266-R269 WeakPolarHBondContact O-CB 3.23Å; E266-R269 PolarHBondContact O-N 2.99Å |
| 267 | R | 87.6 | Confident | 95 | Very high | 229 Ų | 229 | 57.7 Ų | 57.7 | 86% | 0.864 | 29% | 0.285 | S | S | * | . | G | 310 helix | trans | -61.5 | -16.4 | 179.6 | -62 | -177.8 | -174.7 | 168.8 | 1 | 115.7 | A265 | A265-R267 VanDerWaalsContact C-N 3.29Å; A265-R267 PolarHBondContact O-N 2.93Å; A265-R267 VanDerWaalsContact O-N 3.14Å |
| 268 | R | 93.1 | Very high | 94.9 | Very high | 206 Ų | 206 | 59 Ų | 59 | 78% | 0.777 | 29% | 0.292 | S | S | * | . | G | 310 helix | trans | -107 | -9.3 | 174.3 | -69 | -173.8 | 176.8 | -174.6 | -0.8 | 112.8 | I263 A265 E266 | I263-R268 WeakPolarHBondContact CD1-O 3.48Å; I263-R268 HydrophobicContact CG2-CB 3.85Å; A265-R268 HydrophobicContact CB-CB 4.3Å; A265-R268 HydrophobicContact CB-CG 4.49Å; A265-R268 CarbonylContact O-C 3.55Å; A265-R268 WeakPolarHBondContact O-CA 3.49Å; A265-R268 PolarHBondContact O-N 3.32Å; E266-R268 PolarHBondContact O-N 2.85Å |
| 269 | R | 95.3 | Very high | 94.8 | Very high | 4 Ų | 4 | 64.1 Ų | 64.1 | 2% | 0.015 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -71.4 | 134.7 | 173.1 | -161.5 | -180 | -56.4 | 140.7 | 9.3 | 108.2 | E188 K202 I205 C261 I263 A265 E266 | E188-R269 IonicContact OE1-CZ 3.87Å; E188-R269 IonicContact OE1-NH1 2.73Å; E188-R269 PolarHBondContact OE1-NH1 2.99Å; E188-R269 IonicContact OE1-NH2 2.61Å; E188-R269 PolarHBondContact OE1-NH2 3.45Å; E188-R269 IonicContact OE2-CZ 2.67Å; E188-R269 IonicContact OE2-NH1 3.4Å; E188-R269 IonicContact OE2-NH2 3.22Å; E188-R269 PolarHBondContact OE2-NH2 3.14Å; K202-R269 VanDerWaalsContact C-NH1 3.29Å; K202-R269 HydrophobicContact CB-CB 4.34Å; K202-R269 HydrophobicContact CD-CB 4.31Å; K202-R269 VanDerWaalsContact CD-O 3.28Å; K202-R269 WeakPolarHBondContact CD-O 3.49Å; K202-R269 WeakPolarHBondContact CE-O 3.29Å; K202-R269 PolarHBondContact NZ-O 2.97Å; K202-R269 VanDerWaalsContact O-CD 3.32Å; K202-R269 WeakPolarHBondContact O-CD 3.36Å; K202-R269 PolarHBondContact O-NH1 3.41Å; I205-R269 HydrophobicContact CG2-CG 4.34Å; C261-R269 WeakPolarHBondContact O-CD 3.31Å; C261-R269 WeakPolarHBondContact O-CG 3.33Å; C261-R269 PolarHBondContact O-NE 3.29Å; I263-R269 HydrophobicContact CB-CB 4.17Å; I263-R269 HydrophobicContact CB-CG 4.29Å; I263-R269 PolarHBondContact O-NE 3.17Å; I263-R269 PolarHBondContact O-NH2 2.88Å; A265-R269 PolarHBondContact O-N 2.86Å; A265-R269 VanDerWaalsContact O-N 3.08Å; E266-R269 WeakPolarHBondContact O-CB 3.23Å; E266-R269 PolarHBondContact O-N 2.99Å |
| 270 | P | 96.1 | Very high | 94.8 | Very high | 21 Ų | 21 | 56.9 Ų | 56.9 | 14% | 0.136 | 29% | 0.287 | C | S | . | . | trans | -63.5 | 152.6 | 171.3 | 26.8 | -35.1 | 0 | 0 | 0 | 111.2 | K202 C260 T274 M275 | K202-P270 WeakPolarHBondContact CD-O 3.26Å; C260-P270 HydrophobicContact CB-CG 4.35Å; C260-P270 VanDerWaalsContact O-CD 3.31Å; C260-P270 WeakPolarHBondContact O-CD 3.36Å; P270-T274 HydrophobicContact CB-CG2 3.61Å; P270-M275 HydrophobicContact CB-CG 4.04Å; P270-M275 HydrophobicContact CB-SD 4.01Å; P270-M275 HydrophobicContact CG-CG 3.74Å; P270-M275 HydrophobicContact CG-SD 3.28Å; P270-M275 WeakPolarHBondContact CG-SD 3.22Å | ||
| 271 | D | 95.4 | Very high | 94.8 | Very high | 66 Ų | 66 | 55.1 Ų | 55.1 | 35% | 0.353 | 28% | 0.276 | S | S | . | . | trans | -82.8 | 177 | 168.6 | 47.3 | 48.4 | 0 | 0 | 0 | 111.6 | K202 A273 T274 M275 | K202-D271 HydrophobicContact CD-CB 4.23Å; D271-A273 VanDerWaalsContact C-N 3.33Å; D271-A273 PolarHBondContact O-N 2.83Å; D271-A273 PolarHBondContact OD1-N 3.06Å; D271-T274 PolarHBondContact O-N 3.48Å; D271-T274 VanDerWaalsContact OD1-CB 3.23Å; D271-T274 WeakPolarHBondContact OD1-CB 3.19Å; D271-T274 PolarHBondContact OD1-N 2.67Å; D271-T274 PolarHBondContact OD1-OG1 3.22Å; D271-M275 PolarHBondContact O-N 2.81Å | ||
| 272 | A | 96.3 | Very high | 94.6 | Very high | 1 Ų | 1 | 58.4 Ų | 58.4 | 1% | 0.008 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -58.8 | -43.1 | 179 | 0 | 0 | 0 | 0 | 0 | 112.1 | L128 L131 N132 I205 T274 M275 L276 | L128-A272 HydrophobicContact CD2-CB 4.38Å; L131-A272 HydrophobicContact CB-CB 4.36Å; N132-A272 HydrophobicContact CB-CB 3.67Å; I205-A272 HydrophobicContact CD1-CB 3.88Å; A272-T274 VanDerWaalsContact C-N 3.35Å; A272-T274 PolarHBondContact O-N 3.35Å; A272-M275 PolarHBondContact O-N 2.88Å; A272-L276 WeakPolarHBondContact O-CB 3.43Å; A272-L276 VanDerWaalsContact O-CG 3.23Å; A272-L276 WeakPolarHBondContact O-CG 3.33Å; A272-L276 PolarHBondContact O-N 3.11Å |
| 273 | A | 96.6 | Very high | 94.2 | Very high | 46 Ų | 46 | 60.2 Ų | 60.2 | 38% | 0.38 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -60.7 | -41.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | D271 | D271-A273 VanDerWaalsContact C-N 3.33Å; D271-A273 PolarHBondContact O-N 2.83Å; D271-A273 PolarHBondContact OD1-N 3.06Å |
| 274 | T | 97.3 | Very high | 93.9 | Very high | 71 Ų | 71 | 63.4 Ų | 63.4 | 44% | 0.436 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -69.5 | -42 | 175.8 | -54.7 | 0 | 0 | 0 | 0 | 111.6 | P270 D271 A272 L276 T277 | P270-T274 HydrophobicContact CB-CG2 3.61Å; D271-T274 PolarHBondContact O-N 3.48Å; D271-T274 VanDerWaalsContact OD1-CB 3.23Å; D271-T274 WeakPolarHBondContact OD1-CB 3.19Å; D271-T274 PolarHBondContact OD1-N 2.67Å; D271-T274 PolarHBondContact OD1-OG1 3.22Å; A272-T274 VanDerWaalsContact C-N 3.35Å; A272-T274 PolarHBondContact O-N 3.35Å; T274-L276 VanDerWaalsContact C-N 3.28Å; T274-L276 PolarHBondContact O-N 2.86Å; T274-T277 PolarHBondContact O-N 2.81Å; T274-T277 VanDerWaalsContact O-N 3.16Å; T274-T277 PolarHBondContact O-OG1 3.2Å |
| 275 | M | 97.8 | Very high | 93.9 | Very high | 3 Ų | 3 | 67.2 Ų | 67.2 | 2% | 0.015 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -64.3 | -33.2 | 177.1 | -76.7 | -56.2 | -53.7 | 0 | 0 | 112.7 | L128 I205 F257 C260 C261 P270 D271 A272 T277 H278 I281 | L128-M275 HydrophobicContact CD1-CB 3.82Å; L128-M275 HydrophobicContact CD2-CB 4.02Å; I205-M275 HydrophobicContact CG2-CG 3.79Å; F257-M275 HydrophobicContact CD2-CE 3.31Å; F257-M275 HydrophobicContact CE2-CE 3.21Å; F257-M275 HydrophobicContact CG-CE 4.14Å; F257-M275 HydrophobicContact CZ-CE 3.97Å; C260-M275 HydrophobicContact CB-CE 4.17Å; C260-M275 HydrophobicContact CB-SD 3.76Å; C261-M275 VanDerWaalsContact SG-CE 3.56Å; P270-M275 HydrophobicContact CB-CG 4.04Å; P270-M275 HydrophobicContact CB-SD 4.01Å; P270-M275 HydrophobicContact CG-CG 3.74Å; P270-M275 HydrophobicContact CG-SD 3.28Å; P270-M275 WeakPolarHBondContact CG-SD 3.22Å; D271-M275 PolarHBondContact O-N 2.81Å; A272-M275 PolarHBondContact O-N 2.88Å; M275-T277 PolarHBondContact O-N 3.16Å; M275-T277 VanDerWaalsContact O-N 3.1Å; M275-H278 HydrophobicContact CE-CB 4.32Å; M275-H278 VanDerWaalsContact O-CB 3.3Å; M275-H278 WeakPolarHBondContact O-CB 3.39Å; M275-H278 PolarHBondContact O-N 3.49Å; M275-I281 WeakPolarHBondContact O-CD1 3.49Å |
| 276 | L | 97.5 | Very high | 94.2 | Very high | 40 Ų | 40 | 65.1 Ų | 65.1 | 21% | 0.209 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -10 | 174.5 | -74.4 | 167.4 | 0 | 0 | 0 | 114.5 | R125 L128 Q129 N132 A272 T274 I281 T282 | R125-L276 HydrophobicContact CG-CD2 4.16Å; L128-L276 HydrophobicContact CB-CD2 3.73Å; L128-L276 HydrophobicContact CB-CG 4Å; Q129-L276 HydrophobicContact CG-CD1 4.34Å; Q129-L276 HydrophobicContact CG-CD2 3.77Å; N132-L276 HydrophobicContact CB-CD1 3.98Å; A272-L276 WeakPolarHBondContact O-CB 3.43Å; A272-L276 VanDerWaalsContact O-CG 3.23Å; A272-L276 WeakPolarHBondContact O-CG 3.33Å; A272-L276 PolarHBondContact O-N 3.11Å; T274-L276 VanDerWaalsContact C-N 3.28Å; T274-L276 PolarHBondContact O-N 2.86Å; L276-I281 HydrophobicContact CD2-CD1 4.27Å; L276-T282 VanDerWaalsContact O-CG2 3.27Å; L276-T282 WeakPolarHBondContact O-CG2 3.48Å |
| 277 | T | 97.2 | Very high | 94.6 | Very high | 99 Ų | 99 | 65.4 Ų | 65.4 | 61% | 0.607 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.1 | -1.8 | 172.2 | 74.9 | 0 | 0 | 0 | 0 | 114 | T274 M275 | T274-T277 PolarHBondContact O-N 2.81Å; T274-T277 VanDerWaalsContact O-N 3.16Å; T274-T277 PolarHBondContact O-OG1 3.2Å; M275-T277 PolarHBondContact O-N 3.16Å; M275-T277 VanDerWaalsContact O-N 3.1Å |
| 278 | H | 97.6 | Very high | 95 | Very high | 28 Ų | 28 | 56.1 Ų | 56.1 | 13% | 0.13 | 31% | 0.305 | C | S | . | . | trans | -74.2 | 128.8 | -175 | -171.9 | -76.6 | 0 | 0 | 0 | 112.6 | L253 S256 F257 M275 F280 I281 T282 | L253-H278 VanDerWaalsContact C-CE1 3.43Å; L253-H278 PolarHBondContact O-CE1 3.37Å; S256-H278 WeakPolarHBondContact CA-NE2 3.48Å; S256-H278 WeakPolarHBondContact CB-CE1 3.41Å; S256-H278 WeakPolarHBondContact CB-NE2 3.37Å; S256-H278 PolarHBondContact O-NE2 2.94Å; S256-H278 VanDerWaalsContact O-NE2 3.11Å; S256-H278 PolarHBondContact OG-NE2 3.11Å; F257-H278 HydrophobicContact CD2-CB 4.36Å; F257-H278 AromaticContact CD2-ND1 3.9Å; F257-H278 PolarHBondContact N-CE1 3.09Å; F257-H278 PolarHBondContact N-NE2 3.47Å; F257-H278 VanDerWaalsContact N-NE2 3.19Å; M275-H278 HydrophobicContact CE-CB 4.32Å; M275-H278 VanDerWaalsContact O-CB 3.3Å; M275-H278 WeakPolarHBondContact O-CB 3.39Å; M275-H278 PolarHBondContact O-N 3.49Å; H278-F280 VanDerWaalsContact CE1-CB 3.44Å; H278-F280 WeakPolarHBondContact CE1-CB 3.43Å; H278-F280 WeakPolarHBondContact ND1-CB 3.47Å; H278-F280 PolarHBondContact ND1-N 3.09Å; H278-F280 VanDerWaalsContact ND1-N 3.15Å; H278-F280 PolarHBondContact O-N 3.47Å; H278-I281 WeakPolarHBondContact O-CG1 2.96Å; H278-I281 PolarHBondContact O-N 2.96Å; H278-T282 PolarHBondContact O-N 2.85Å; H278-T282 PolarHBondContact O-OG1 3.25Å | ||
| 279 | N | 95.8 | Very high | 95.1 | Very high | 112 Ų | 112 | 50.3 Ų | 50.3 | 60% | 0.599 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.5 | -26.3 | -174.1 | -68.6 | 20.5 | 0 | 0 | 0 | 115.9 | L253 I281 T282 | L253-N279 HydrophobicContact CD2-CB 4.02Å; N279-I281 VanDerWaalsContact C-N 3.28Å; N279-I281 PolarHBondContact O-N 2.61Å; N279-T282 WeakPolarHBondContact CA-OG1 3.42Å |
| 280 | F | 96.6 | Very high | 95.1 | Very high | 12 Ų | 12 | 51.1 Ų | 51.1 | 5% | 0.053 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -35.7 | 175.1 | -179.3 | -119.5 | 0 | 0 | 0 | 112.3 | E117 I120 A121 L253 F254 F257 H278 | E117-F280 HydrophobicContact CB-CE2 4.19Å; E117-F280 HydrophobicContact CG-CE2 4.47Å; I120-F280 HydrophobicContact CG2-CE1 4.35Å; I120-F280 HydrophobicContact CG2-CZ 4.34Å; A121-F280 HydrophobicContact CB-CD1 4.05Å; A121-F280 HydrophobicContact CB-CD2 4.39Å; A121-F280 HydrophobicContact CB-CE1 3.72Å; A121-F280 HydrophobicContact CB-CE2 4.08Å; A121-F280 HydrophobicContact CB-CG 4.37Å; A121-F280 HydrophobicContact CB-CZ 3.73Å; A121-F280 WeakPolarHBondContact CB-O 3.33Å; L253-F280 HydrophobicContact CB-CB 4.33Å; L253-F280 HydrophobicContact CB-CD2 4.26Å; F254-F280 HydrophobicContact CB-CD2 3.96Å; F254-F280 HydrophobicContact CB-CE2 3.53Å; F254-F280 HydrophobicContact CB-CZ 3.95Å; F254-F280 HydrophobicContact CD1-CZ 4.43Å; F254-F280 HydrophobicContact CD2-CD1 4.28Å; F254-F280 AromaticContact CD2-CE1 3.53Å; F254-F280 HydrophobicContact CD2-CE1 3.53Å; F254-F280 AromaticContact CD2-CE2 3.81Å; F254-F280 HydrophobicContact CD2-CE2 3.81Å; F254-F280 AromaticContact CD2-CZ 3.26Å; F254-F280 HydrophobicContact CD2-CZ 3.26Å; F254-F280 AromaticContact CE2-CE1 3.96Å; F254-F280 HydrophobicContact CE2-CE1 3.96Å; F254-F280 AromaticContact CE2-CZ 3.8Å; F254-F280 HydrophobicContact CE2-CZ 3.8Å; F254-F280 HydrophobicContact CG-CE1 4.34Å; F254-F280 AromaticContact CG-CE2 3.77Å; F254-F280 HydrophobicContact CG-CE2 3.77Å; F254-F280 AromaticContact CG-CZ 3.65Å; F254-F280 HydrophobicContact CG-CZ 3.65Å; F257-F280 HydrophobicContact CB-CB 3.84Å; F257-F280 HydrophobicContact CB-CD1 3.62Å; F257-F280 HydrophobicContact CB-CE1 4.44Å; F257-F280 HydrophobicContact CB-CG 3.91Å; F257-F280 AromaticContact CD1-CD1 3.77Å; F257-F280 HydrophobicContact CD1-CD1 3.77Å; F257-F280 HydrophobicContact CD1-CE1 4.03Å; F257-F280 HydrophobicContact CD2-CB 4.22Å; F257-F280 AromaticContact CD2-CD1 3.79Å; F257-F280 HydrophobicContact CD2-CD1 3.79Å; F257-F280 HydrophobicContact CD2-CG 4.48Å; F257-F280 HydrophobicContact CE1-CD1 4.38Å; F257-F280 HydrophobicContact CE1-CE1 4.5Å; F257-F280 HydrophobicContact CE2-CD1 4.39Å; F257-F280 HydrophobicContact CG-CB 4.26Å; F257-F280 AromaticContact CG-CD1 3.45Å; F257-F280 HydrophobicContact CG-CD1 3.45Å; F257-F280 VanDerWaalsContact CG-CD1 3.45Å; F257-F280 HydrophobicContact CG-CE1 4.18Å; F257-F280 HydrophobicContact CG-CG 4.19Å; H278-F280 VanDerWaalsContact CE1-CB 3.44Å; H278-F280 WeakPolarHBondContact CE1-CB 3.43Å; H278-F280 WeakPolarHBondContact ND1-CB 3.47Å; H278-F280 PolarHBondContact ND1-N 3.09Å; H278-F280 VanDerWaalsContact ND1-N 3.15Å; H278-F280 PolarHBondContact O-N 3.47Å |
| 281 | I | 96.8 | Very high | 95.1 | Very high | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.005 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.4 | -4.7 | -173.2 | 68.2 | 165.3 | 0 | 0 | 0 | 114.7 | A121 R125 L128 F257 M275 L276 H278 N279 | A121-I281 HydrophobicContact CB-CG2 4.12Å; A121-I281 WeakPolarHBondContact O-CG2 3.36Å; R125-I281 HydrophobicContact CB-CB 4.12Å; R125-I281 HydrophobicContact CB-CD1 4.24Å; R125-I281 WeakPolarHBondContact CD-O 3.49Å; R125-I281 HydrophobicContact CG-CD1 4.33Å; L128-I281 HydrophobicContact CD1-CD1 3.6Å; F257-I281 HydrophobicContact CD2-CG2 4.07Å; F257-I281 HydrophobicContact CE2-CD1 4.1Å; F257-I281 HydrophobicContact CE2-CG1 4.36Å; F257-I281 HydrophobicContact CE2-CG2 3.69Å; F257-I281 HydrophobicContact CZ-CG2 4.2Å; M275-I281 WeakPolarHBondContact O-CD1 3.49Å; L276-I281 HydrophobicContact CD2-CD1 4.27Å; H278-I281 WeakPolarHBondContact O-CG1 2.96Å; H278-I281 PolarHBondContact O-N 2.96Å; N279-I281 VanDerWaalsContact C-N 3.28Å; N279-I281 PolarHBondContact O-N 2.61Å |
| 282 | T | 93.8 | Very high | 95.2 | Very high | 68 Ų | 68 | 50.5 Ų | 50.5 | 42% | 0.417 | 29% | 0.287 | S | S | . | . | trans | -91.4 | 3.2 | 175 | 55.3 | 0 | 0 | 0 | 0 | 113.9 | L276 H278 N279 | L276-T282 VanDerWaalsContact O-CG2 3.27Å; L276-T282 WeakPolarHBondContact O-CG2 3.48Å; H278-T282 PolarHBondContact O-N 2.85Å; H278-T282 PolarHBondContact O-OG1 3.25Å; N279-T282 WeakPolarHBondContact CA-OG1 3.42Å | ||
| 283 | N | 88.8 | Confident | 95.1 | Very high | 44 Ų | 44 | 57.9 Ų | 57.9 | 24% | 0.235 | 32% | 0.315 | C | S | . | . | trans | -56.1 | 122 | 173.2 | 170.2 | 8.6 | 0 | 0 | 0 | 110.6 | D118 H285 L286 | D118-N283 PolarHBondContact OD1-ND2 2.88Å; N283-H285 PolarHBondContact O-N 3.46Å; N283-H285 PolarHBondContact OD1-CD2 3.17Å; N283-H285 VanDerWaalsContact OD1-CD2 3.29Å; N283-H285 PolarHBondContact OD1-N 2.62Å; N283-L286 HydrophobicContact CB-CD1 3.86Å; N283-L286 HydrophobicContact CB-CG 3.83Å; N283-L286 WeakPolarHBondContact O-CB 3.49Å; N283-L286 VanDerWaalsContact O-CG 3.29Å; N283-L286 WeakPolarHBondContact O-CG 3.47Å; N283-L286 PolarHBondContact O-N 3.45Å | ||
| 284 | P | 87.2 | Confident | 94.9 | Very high | 118 Ų | 118 | 56.8 Ų | 56.8 | 77% | 0.766 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -16 | -175 | 28 | -36.2 | 0 | 0 | 0 | 114.3 | L286 | P284-L286 VanDerWaalsContact C-N 3.25Å; P284-L286 PolarHBondContact O-N 2.81Å |
| 285 | H | 89.9 | Confident | 94.7 | Very high | 150 Ų | 150 | 53.6 Ų | 53.6 | 69% | 0.694 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | -14.2 | 176.2 | -60.8 | -69.5 | 0 | 0 | 0 | 113.2 | N283 S287 | N283-H285 PolarHBondContact O-N 3.46Å; N283-H285 PolarHBondContact OD1-CD2 3.17Å; N283-H285 VanDerWaalsContact OD1-CD2 3.29Å; N283-H285 PolarHBondContact OD1-N 2.62Å; H285-S287 PolarHBondContact O-N 3.46Å; H285-S287 VanDerWaalsContact O-N 3.15Å; H285-S287 PolarHBondContact O-OG 3.17Å |
| 286 | L | 93.8 | Very high | 94.5 | Very high | 5 Ų | 5 | 56.3 Ų | 56.3 | 3% | 0.026 | 30% | 0.302 | C | S | . | . | trans | -70.5 | 106.7 | -177.7 | -61.3 | -180 | 0 | 0 | 0 | 111.7 | D118 A121 F122 R125 N283 P284 L290 | D118-L286 HydrophobicContact CB-CD2 3.66Å; D118-L286 VanDerWaalsContact O-CD2 3.29Å; D118-L286 WeakPolarHBondContact O-CD2 3.43Å; D118-L286 WeakPolarHBondContact OD1-CD2 3.28Å; A121-L286 HydrophobicContact CB-CD1 3.66Å; A121-L286 HydrophobicContact CB-CD2 4.07Å; F122-L286 HydrophobicContact CB-CB 4.28Å; F122-L286 HydrophobicContact CB-CD2 4.45Å; F122-L286 HydrophobicContact CD2-CB 4.36Å; R125-L286 PolarHBondContact NH1-O 2.9Å; R125-L286 PolarHBondContact NH2-O 2.71Å; N283-L286 HydrophobicContact CB-CD1 3.86Å; N283-L286 HydrophobicContact CB-CG 3.83Å; N283-L286 WeakPolarHBondContact O-CB 3.49Å; N283-L286 VanDerWaalsContact O-CG 3.29Å; N283-L286 WeakPolarHBondContact O-CG 3.47Å; N283-L286 PolarHBondContact O-N 3.45Å; P284-L286 VanDerWaalsContact C-N 3.25Å; P284-L286 PolarHBondContact O-N 2.81Å; L286-L290 HydrophobicContact CD2-CD1 3.9Å | ||
| 287 | S | 95.5 | Very high | 94.2 | Very high | 50 Ų | 50 | 57.8 Ų | 57.8 | 35% | 0.35 | 31% | 0.305 | S | S | . | . | trans | -144.8 | 164.8 | -172.2 | 59 | 0 | 0 | 0 | 0 | 112.3 | H285 L289 L290 | H285-S287 PolarHBondContact O-N 3.46Å; H285-S287 VanDerWaalsContact O-N 3.15Å; H285-S287 PolarHBondContact O-OG 3.17Å; S287-L289 PolarHBondContact O-N 3.01Å; S287-L290 WeakPolarHBondContact O-CB 3.37Å; S287-L290 PolarHBondContact O-N 3.42Å | ||
| 288 | T | 95.9 | Very high | 93.9 | Very high | 33 Ų | 33 | 54.2 Ų | 54.2 | 20% | 0.202 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -17.7 | 179 | -31.7 | 0 | 0 | 0 | 0 | 113.6 | F122 D154 G155 L290 T291 Q292 | F122-T288 HydrophobicContact CZ-CG2 4.46Å; D154-T288 WeakPolarHBondContact O-CG2 3.4Å; G155-T288 VanDerWaalsContact C-CG2 3.48Å; G155-T288 WeakPolarHBondContact O-CG2 3.41Å; T288-L290 PolarHBondContact O-N 3.48Å; T288-T291 PolarHBondContact O-N 3.09Å; T288-T291 PolarHBondContact O-OG1 3Å; T288-Q292 HydrophobicContact CG2-CG 4.45Å; T288-Q292 WeakPolarHBondContact O-CB 3.41Å; T288-Q292 WeakPolarHBondContact O-CG 3.33Å; T288-Q292 PolarHBondContact O-N 2.93Å |
| 289 | L | 95.6 | Very high | 93.5 | Very high | 84 Ų | 84 | 57.3 Ų | 57.3 | 44% | 0.44 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -56.8 | -30.1 | 172.7 | -175.2 | 61.5 | 0 | 0 | 0 | 112.5 | S287 R293 | S287-L289 PolarHBondContact O-N 3.01Å; L289-R293 WeakPolarHBondContact O-CB 3.43Å; L289-R293 WeakPolarHBondContact O-CG 3.35Å; L289-R293 PolarHBondContact O-N 2.88Å |
| 290 | L | 96.3 | Very high | 93.1 | Very high | 21 Ų | 21 | 57.8 Ų | 57.8 | 11% | 0.11 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -67.5 | -49.8 | 178.8 | -66.9 | 161.3 | 0 | 0 | 0 | 111.6 | D118 C119 F122 L286 S287 T288 R293 L294 | D118-L290 HydrophobicContact CB-CD1 4.01Å; D118-L290 HydrophobicContact CB-CD2 3.94Å; C119-L290 HydrophobicContact CB-CB 4.49Å; F122-L290 HydrophobicContact CB-CD1 3.8Å; F122-L290 HydrophobicContact CG-CD1 4.3Å; L286-L290 HydrophobicContact CD2-CD1 3.9Å; S287-L290 WeakPolarHBondContact O-CB 3.37Å; S287-L290 PolarHBondContact O-N 3.42Å; T288-L290 PolarHBondContact O-N 3.48Å; L290-R293 PolarHBondContact O-N 3.32Å; L290-L294 PolarHBondContact O-N 3.24Å; L290-L294 VanDerWaalsContact O-N 3.11Å |
| 291 | T | 96.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -70.1 | -33.9 | 175.4 | 40.3 | 0 | 0 | 0 | 0 | 112.2 | F122 V123 L151 G155 V157 T288 L294 L295 | F122-T291 HydrophobicContact CD1-CG2 3.89Å; F122-T291 HydrophobicContact CE1-CG2 3.8Å; F122-T291 WeakPolarHBondContact CE1-OG1 3.48Å; V123-T291 HydrophobicContact CG2-CG2 3.83Å; L151-T291 HydrophobicContact CD1-CG2 3.95Å; L151-T291 HydrophobicContact CD2-CG2 3.78Å; G155-T291 VanDerWaalsContact O-CB 3.28Å; G155-T291 WeakPolarHBondContact O-CB 3.36Å; G155-T291 PolarHBondContact O-OG1 2.9Å; V157-T291 HydrophobicContact CG2-CG2 4.02Å; T288-T291 PolarHBondContact O-N 3.09Å; T288-T291 PolarHBondContact O-OG1 3Å; T291-L294 PolarHBondContact O-N 3.45Å; T291-L295 WeakPolarHBondContact O-CG 3.41Å; T291-L295 PolarHBondContact O-N 3.08Å |
| 292 | Q | 96 | Very high | 91.9 | Very high | 75 Ų | 75 | 62 Ų | 62 | 35% | 0.35 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -62.4 | -44.5 | 171.4 | -73.1 | 169 | -0.9 | 0 | 0 | 112.2 | D154 T288 L294 L295 C296 | D154-Q292 WeakPolarHBondContact O-CG 3.34Å; D154-Q292 PolarHBondContact O-NE2 2.6Å; T288-Q292 HydrophobicContact CG2-CG 4.45Å; T288-Q292 WeakPolarHBondContact O-CB 3.41Å; T288-Q292 WeakPolarHBondContact O-CG 3.33Å; T288-Q292 PolarHBondContact O-N 2.93Å; Q292-L294 VanDerWaalsContact C-N 3.32Å; Q292-L294 PolarHBondContact O-N 2.82Å; Q292-L295 PolarHBondContact O-N 2.68Å; Q292-C296 WeakPolarHBondContact O-CB 3.36Å; Q292-C296 PolarHBondContact O-N 3.19Å; Q292-C296 PolarHBondContact O-SG 3.01Å; Q292-C296 VanDerWaalsContact O-SG 3.36Å |
| 293 | R | 94.3 | Very high | 91.3 | Very high | 156 Ų | 156 | 61.6 Ų | 61.6 | 59% | 0.589 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -58.3 | -44.5 | 173.4 | -78.2 | 168.5 | 178.3 | -173 | 0.6 | 111.4 | L289 L290 C296 Y297 | L289-R293 WeakPolarHBondContact O-CB 3.43Å; L289-R293 WeakPolarHBondContact O-CG 3.35Å; L289-R293 PolarHBondContact O-N 2.88Å; L290-R293 PolarHBondContact O-N 3.32Å; R293-C296 PolarHBondContact O-N 3.16Å; R293-Y297 WeakPolarHBondContact O-CB 3.39Å; R293-Y297 PolarHBondContact O-N 3.46Å |
| 294 | L | 93.1 | Very high | 90.6 | Very high | 23 Ų | 23 | 63.1 Ų | 63.1 | 12% | 0.12 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.7 | -43.8 | 177.9 | -174.1 | 63.6 | 0 | 0 | 0 | 112.2 | M104 I107 L115 L290 T291 Q292 Y297 R298 | M104-L294 HydrophobicContact CE-CD2 3.98Å; I107-L294 HydrophobicContact CG2-CD1 3.96Å; I107-L294 HydrophobicContact CG2-CD2 3.64Å; I107-L294 HydrophobicContact CG2-CG 3.57Å; L115-L294 HydrophobicContact CD1-CD2 4.33Å; L115-L294 HydrophobicContact CD2-CD1 3.83Å; L115-L294 HydrophobicContact CD2-CD2 3.89Å; L290-L294 PolarHBondContact O-N 3.24Å; L290-L294 VanDerWaalsContact O-N 3.11Å; T291-L294 PolarHBondContact O-N 3.45Å; Q292-L294 VanDerWaalsContact C-N 3.32Å; Q292-L294 PolarHBondContact O-N 2.82Å; L294-Y297 PolarHBondContact O-N 2.87Å; L294-R298 PolarHBondContact O-N 2.81Å |
| 295 | L | 93.9 | Very high | 89.9 | Confident | 3 Ų | 3 | 59.3 Ų | 59.3 | 2% | 0.016 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.8 | -40.7 | 173.8 | -72 | 174.2 | 0 | 0 | 0 | 112.5 | I107 L151 T152 T291 Q292 R298 R299 | I107-L295 HydrophobicContact CD1-CD2 4.09Å; L151-L295 HydrophobicContact CB-CD1 4.34Å; L151-L295 HydrophobicContact CD1-CD1 4.11Å; L151-L295 HydrophobicContact CD1-CD2 4.05Å; L151-L295 HydrophobicContact CD1-CG 3.93Å; T152-L295 WeakPolarHBondContact O-CD1 3.48Å; T291-L295 WeakPolarHBondContact O-CG 3.41Å; T291-L295 PolarHBondContact O-N 3.08Å; Q292-L295 PolarHBondContact O-N 2.68Å; L295-R298 PolarHBondContact O-N 2.92Å; L295-R299 WeakPolarHBondContact O-CB 3.3Å; L295-R299 VanDerWaalsContact O-CG 3.22Å; L295-R299 WeakPolarHBondContact O-CG 3.14Å; L295-R299 PolarHBondContact O-N 2.8Å |
| 296 | C | 92.9 | Very high | 88.8 | Confident | 61 Ų | 61 | 58.1 Ų | 58.1 | 41% | 0.412 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.8 | -43.8 | 175.3 | -75.6 | 0 | 0 | 0 | 0 | 112 | Q292 R293 R298 R299 Q300 | Q292-C296 WeakPolarHBondContact O-CB 3.36Å; Q292-C296 PolarHBondContact O-N 3.19Å; Q292-C296 PolarHBondContact O-SG 3.01Å; Q292-C296 VanDerWaalsContact O-SG 3.36Å; R293-C296 PolarHBondContact O-N 3.16Å; C296-R298 VanDerWaalsContact C-N 3.35Å; C296-R298 PolarHBondContact O-N 3.01Å; C296-R299 PolarHBondContact O-N 2.98Å; C296-Q300 VanDerWaalsContact O-CG 3.28Å; C296-Q300 WeakPolarHBondContact O-CG 3.33Å; C296-Q300 PolarHBondContact O-N 2.8Å |
| 297 | Y | 91 | Very high | 86.8 | Confident | 70 Ų | 70 | 63 Ų | 63 | 28% | 0.275 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.5 | -43.3 | 174.6 | 179.3 | -118.6 | 0 | 0 | 0 | 111.9 | T111 R113 R293 L294 Q300 L301 | T111-Y297 HydrophobicContact CG2-CD1 3.86Å; T111-Y297 HydrophobicContact CG2-CE1 4.03Å; R113-Y297 VanDerWaalsContact CZ-OH 3.29Å; R113-Y297 PolarHBondContact NE-OH 3.11Å; R293-Y297 WeakPolarHBondContact O-CB 3.39Å; R293-Y297 PolarHBondContact O-N 3.46Å; L294-Y297 PolarHBondContact O-N 2.87Å; Y297-Q300 WeakPolarHBondContact O-CB 3.19Å; Y297-Q300 PolarHBondContact O-N 3.28Å; Y297-L301 HydrophobicContact CD1-CD1 4.33Å; Y297-L301 HydrophobicContact CE1-CD1 3.83Å; Y297-L301 HydrophobicContact CE2-CD1 4.42Å; Y297-L301 HydrophobicContact CE2-CG 4.39Å; Y297-L301 WeakPolarHBondContact O-CG 3.45Å; Y297-L301 PolarHBondContact O-N 2.99Å; Y297-L301 VanDerWaalsContact O-N 3.13Å |
| 298 | R | 91.1 | Very high | 84.5 | Confident | 25 Ų | 25 | 65.1 Ų | 65.1 | 9% | 0.094 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -59.9 | -50.1 | 172.7 | -179 | -173 | 159.4 | 147.1 | 5.7 | 112 | Y110 T111 L294 L295 C296 Q300 L301 E302 | Y110-R298 HydrophobicContact CD1-CG 3.91Å; Y110-R298 HydrophobicContact CE1-CG 4.4Å; T111-R298 HydrophobicContact CG2-CB 4.26Å; L294-R298 PolarHBondContact O-N 2.81Å; L295-R298 PolarHBondContact O-N 2.92Å; C296-R298 VanDerWaalsContact C-N 3.35Å; C296-R298 PolarHBondContact O-N 3.01Å; R298-Q300 VanDerWaalsContact C-N 3.26Å; R298-Q300 PolarHBondContact O-N 2.7Å; R298-L301 WeakPolarHBondContact O-CB 3.36Å; R298-L301 PolarHBondContact O-N 3.11Å; R298-L301 VanDerWaalsContact O-N 3.1Å; R298-E302 IonicContact CZ-OE1 3.49Å; R298-E302 VanDerWaalsContact CZ-OE1 3.31Å; R298-E302 IonicContact NE-OE1 3.98Å; R298-E302 PolarHBondContact NE-OE1 2.58Å; R298-E302 IonicContact NH2-OE1 2.68Å; R298-E302 PolarHBondContact NH2-OE1 3.25Å; R298-E302 PolarHBondContact O-N 2.8Å |
| 299 | R | 90.1 | Very high | 82.1 | Confident | 93 Ų | 93 | 67.6 Ų | 67.6 | 35% | 0.351 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -60.3 | -33.4 | 179.2 | -72.2 | 166.1 | 178.3 | 152.9 | -2.4 | 112 | D153 L295 C296 S303 | D153-R299 PolarHBondContact O-NH1 3.34Å; D153-R299 PolarHBondContact O-NH2 3.06Å; D153-R299 IonicContact OD1-CZ 3.67Å; D153-R299 IonicContact OD1-NH2 3.6Å; D153-R299 PolarHBondContact OD1-NH2 3.08Å; L295-R299 WeakPolarHBondContact O-CB 3.3Å; L295-R299 VanDerWaalsContact O-CG 3.22Å; L295-R299 WeakPolarHBondContact O-CG 3.14Å; L295-R299 PolarHBondContact O-N 2.8Å; C296-R299 PolarHBondContact O-N 2.98Å; R299-S303 WeakPolarHBondContact O-CB 3.46Å; R299-S303 PolarHBondContact O-N 2.82Å; R299-S303 PolarHBondContact O-OG 3.36Å |
| 300 | Q | 86.8 | Confident | 79.5 | Confident | 122 Ų | 122 | 67.6 Ų | 67.6 | 57% | 0.57 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -65.9 | -44.1 | 172.3 | -73.6 | 167.9 | -3.9 | 0 | 0 | 112.5 | C296 Y297 R298 S303 S304 | C296-Q300 VanDerWaalsContact O-CG 3.28Å; C296-Q300 WeakPolarHBondContact O-CG 3.33Å; C296-Q300 PolarHBondContact O-N 2.8Å; Y297-Q300 WeakPolarHBondContact O-CB 3.19Å; Y297-Q300 PolarHBondContact O-N 3.28Å; R298-Q300 VanDerWaalsContact C-N 3.26Å; R298-Q300 PolarHBondContact O-N 2.7Å; Q300-S303 PolarHBondContact O-N 3.48Å; Q300-S304 WeakPolarHBondContact O-CB 3.5Å; Q300-S304 PolarHBondContact O-N 3.31Å; Q300-S304 PolarHBondContact O-OG 2.79Å |
| 301 | L | 84 | Confident | 76.9 | Confident | 57 Ų | 57 | 75 Ų | 75 | 30% | 0.298 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -63.6 | -44.5 | 175.8 | -68.8 | 174.3 | 0 | 0 | 0 | 111.6 | Y110 T111 Y297 R298 S303 S304 A305 | Y110-L301 HydrophobicContact CE1-CB 3.86Å; T111-L301 HydrophobicContact CG2-CD1 4.22Å; Y297-L301 HydrophobicContact CD1-CD1 4.33Å; Y297-L301 HydrophobicContact CE1-CD1 3.83Å; Y297-L301 HydrophobicContact CE2-CD1 4.42Å; Y297-L301 HydrophobicContact CE2-CG 4.39Å; Y297-L301 WeakPolarHBondContact O-CG 3.45Å; Y297-L301 PolarHBondContact O-N 2.99Å; Y297-L301 VanDerWaalsContact O-N 3.13Å; R298-L301 WeakPolarHBondContact O-CB 3.36Å; R298-L301 PolarHBondContact O-N 3.11Å; R298-L301 VanDerWaalsContact O-N 3.1Å; L301-S303 VanDerWaalsContact C-N 3.3Å; L301-S303 PolarHBondContact O-N 2.72Å; L301-S304 PolarHBondContact O-N 2.68Å; L301-A305 PolarHBondContact O-N 3.09Å |
| 302 | E | 84 | Confident | 74.1 | Confident | 43 Ų | 43 | 77.9 Ų | 77.9 | 20% | 0.201 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -60.1 | -39 | 174.8 | -73.2 | -176.8 | -163.1 | 0 | 0 | 112.6 | Y110 R298 K306 | Y110-E302 HydrophobicContact CE1-CG 3.78Å; Y110-E302 HydrophobicContact CE2-CG 4.3Å; Y110-E302 WeakPolarHBondContact OH-CA 3.38Å; Y110-E302 WeakPolarHBondContact OH-CG 3.41Å; R298-E302 IonicContact CZ-OE1 3.49Å; R298-E302 VanDerWaalsContact CZ-OE1 3.31Å; R298-E302 IonicContact NE-OE1 3.98Å; R298-E302 PolarHBondContact NE-OE1 2.58Å; R298-E302 IonicContact NH2-OE1 2.68Å; R298-E302 PolarHBondContact NH2-OE1 3.25Å; R298-E302 PolarHBondContact O-N 2.8Å; E302-K306 WeakPolarHBondContact O-CD 3.39Å; E302-K306 VanDerWaalsContact O-CG 3.32Å; E302-K306 WeakPolarHBondContact O-CG 3.45Å; E302-K306 PolarHBondContact O-N 3.04Å; E302-K306 VanDerWaalsContact O-N 3.1Å; E302-K306 IonicContact OE2-NZ 3.17Å |
| 303 | S | 80 | Confident | 71.1 | Confident | 60 Ų | 60 | 81.9 Ų | 81.9 | 42% | 0.42 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -72.5 | -40.5 | 179.3 | -57 | 0 | 0 | 0 | 0 | 111.9 | R299 Q300 L301 A305 K306 N307 | R299-S303 WeakPolarHBondContact O-CB 3.46Å; R299-S303 PolarHBondContact O-N 2.82Å; R299-S303 PolarHBondContact O-OG 3.36Å; Q300-S303 PolarHBondContact O-N 3.48Å; L301-S303 VanDerWaalsContact C-N 3.3Å; L301-S303 PolarHBondContact O-N 2.72Å; S303-A305 VanDerWaalsContact C-N 3.32Å; S303-A305 PolarHBondContact O-N 3.38Å; S303-K306 PolarHBondContact O-N 2.95Å; S303-N307 PolarHBondContact O-N 3.44Å |
| 304 | S | 75.4 | Confident | 68.3 | Low | 77 Ų | 77 | 81.2 Ų | 81.2 | 54% | 0.538 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -58.3 | -44.8 | 172.6 | -60.5 | 0 | 0 | 0 | 0 | 111.4 | Q300 L301 N307 T308 | Q300-S304 WeakPolarHBondContact O-CB 3.5Å; Q300-S304 PolarHBondContact O-N 3.31Å; Q300-S304 PolarHBondContact O-OG 2.79Å; L301-S304 PolarHBondContact O-N 2.68Å; S304-N307 PolarHBondContact O-N 3.23Å; S304-T308 PolarHBondContact O-N 3.4Å; S304-T308 PolarHBondContact O-OG1 2.94Å |
| 305 | A | 71.5 | Confident | 65.4 | Low | 37 Ų | 37 | 83.8 Ų | 83.8 | 31% | 0.306 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.6 | -44.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L301 S303 T308 Y309 | L301-A305 PolarHBondContact O-N 3.09Å; S303-A305 VanDerWaalsContact C-N 3.32Å; S303-A305 PolarHBondContact O-N 3.38Å; A305-T308 PolarHBondContact O-N 2.81Å; A305-T308 PolarHBondContact O-OG1 3.5Å; A305-Y309 WeakPolarHBondContact O-CD2 3.35Å; A305-Y309 WeakPolarHBondContact O-CE2 3.47Å |
| 306 | K | 67.6 | Low | 62.5 | Low | 125 Ų | 125 | 89.4 Ų | 89.4 | 54% | 0.543 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.6 | -41.8 | 177.9 | -72.6 | 163.5 | -174.8 | 162.9 | 0 | 112.6 | E302 S303 T308 Y309 | E302-K306 WeakPolarHBondContact O-CD 3.39Å; E302-K306 VanDerWaalsContact O-CG 3.32Å; E302-K306 WeakPolarHBondContact O-CG 3.45Å; E302-K306 PolarHBondContact O-N 3.04Å; E302-K306 VanDerWaalsContact O-N 3.1Å; E302-K306 IonicContact OE2-NZ 3.17Å; S303-K306 PolarHBondContact O-N 2.95Å; K306-T308 VanDerWaalsContact C-N 3.25Å; K306-T308 PolarHBondContact O-N 3.41Å; K306-Y309 PolarHBondContact O-N 3.02Å |
| 307 | N | 51.7 | Low | 59.6 | Low | 107 Ų | 107 | 92.4 Ų | 92.4 | 57% | 0.572 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -67.9 | -21.4 | -179.2 | -74.3 | -4.6 | 0 | 0 | 0 | 113.7 | S303 S304 Y309 | S303-N307 PolarHBondContact O-N 3.44Å; S304-N307 PolarHBondContact O-N 3.23Å; N307-Y309 PolarHBondContact O-N 3.42Å |
| 308 | T | 47.7 | Very low | 56.8 | Low | 95 Ų | 95 | 96.2 Ų | 96.2 | 58% | 0.583 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -67.7 | -7.8 | 167.3 | 16.5 | 0 | 0 | 0 | 0 | 114.8 | S304 A305 K306 | S304-T308 PolarHBondContact O-N 3.4Å; S304-T308 PolarHBondContact O-OG1 2.94Å; A305-T308 PolarHBondContact O-N 2.81Å; A305-T308 PolarHBondContact O-OG1 3.5Å; K306-T308 VanDerWaalsContact C-N 3.25Å; K306-T308 PolarHBondContact O-N 3.41Å |
| 309 | Y | 44.2 | Very low | 54.2 | Low | 86 Ų | 86 | 100.2 Ų | 100.2 | 34% | 0.337 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -110.2 | -23.1 | 178.8 | -59.2 | -53.3 | 0 | 0 | 0 | 115 | A305 K306 N307 S947 Q948 | A305-Y309 WeakPolarHBondContact O-CD2 3.35Å; A305-Y309 WeakPolarHBondContact O-CE2 3.47Å; K306-Y309 PolarHBondContact O-N 3.02Å; N307-Y309 PolarHBondContact O-N 3.42Å; Y309-S947 VanDerWaalsContact OH-C 3.26Å; Y309-S947 WeakPolarHBondContact OH-CA 3.43Å; Y309-S947 WeakPolarHBondContact OH-CB 3.47Å; Y309-S947 PolarHBondContact OH-OG 2.74Å; Y309-Q948 HydrophobicContact CE1-CB 3.95Å; Y309-Q948 VanDerWaalsContact CE1-N 3.26Å; Y309-Q948 PolarHBondContact OH-N 3.01Å |
| 310 | S | 41.7 | Very low | 51.5 | Low | 83 Ų | 83 | 103 Ų | 103 | 58% | 0.58 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -84.7 | -16.3 | -174.2 | 49.6 | 0 | 0 | 0 | 0 | 115.3 | ||
| 311 | H | 41.6 | Very low | 49 | Very low | 177 Ų | 177 | 105.9 Ų | 105.9 | 82% | 0.819 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.8 | 20 | -179.1 | -96.2 | -64 | 0 | 0 | 0 | 114.6 | ||
| 312 | G | 36.8 | Very low | 46.7 | Very low | 61 Ų | 61 | 113 Ų | 113 | 63% | 0.629 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -89.6 | -34.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 313 | D | 33.1 | Very low | 44.4 | Very low | 158 Ų | 158 | 118.1 Ų | 118.1 | 85% | 0.845 | 68% | 0.681 | S | S | * | * | trans | -136.6 | 92 | -168.4 | -84 | -60.9 | 0 | 0 | 0 | 112.7 | ||||
| 314 | T | 35.5 | Very low | 42.5 | Very low | 143 Ų | 143 | 120.4 Ų | 120.4 | 88% | 0.877 | 69% | 0.694 | S | S | * | * | trans | -134.1 | 84.1 | 156.7 | 39.8 | 0 | 0 | 0 | 0 | 109.7 | V316 | T314-V316 PolarHBondContact O-N 3.35Š| ||
| 315 | G | 33.1 | Very low | 40.8 | Very low | 76 Ų | 76 | 122.3 Ų | 122.3 | 78% | 0.784 | 71% | 0.705 | S | S | * | * | trans | -62.2 | 126.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | S317 | G315-S317 PolarHBondContact O-N 3.23Š| ||
| 316 | V | 32 | Very low | 39 | Very low | 121 Ų | 121 | 126.1 Ų | 126.1 | 73% | 0.733 | 73% | 0.729 | S | S | * | * | trans | -24.4 | 119.7 | 171.4 | -178.7 | 0 | 0 | 0 | 0 | 114.9 | T314 L318 | T314-V316 PolarHBondContact O-N 3.35Å; V316-L318 HydrophobicContact CG1-CD1 3.75Å; V316-L318 HydrophobicContact CG1-CG 3.75Å | ||
| 317 | S | 33.4 | Very low | 37.4 | Very low | 124 Ų | 124 | 124.5 Ų | 124.5 | 87% | 0.867 | 75% | 0.747 | S | S | * | * | trans | -115.4 | 131.7 | 148 | -82.4 | 0 | 0 | 0 | 0 | 109 | G315 | G315-S317 PolarHBondContact O-N 3.23Š| ||
| 318 | L | 31.9 | Very low | 36.5 | Very low | 151 Ų | 151 | 123.1 Ų | 123.1 | 79% | 0.791 | 76% | 0.758 | S | S | * | * | trans | -98.4 | 163.4 | -174.1 | -84.8 | 144.6 | 0 | 0 | 0 | 111.9 | V316 | V316-L318 HydrophobicContact CG1-CD1 3.75Å; V316-L318 HydrophobicContact CG1-CG 3.75Å | ||
| 319 | S | 35.4 | Very low | 35.8 | Very low | 108 Ų | 108 | 126.2 Ų | 126.2 | 76% | 0.755 | 77% | 0.772 | S | S | * | * | trans | 75 | 146 | -177.1 | 86.8 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 320 | N | 35.3 | Very low | 35.3 | Very low | 151 Ų | 151 | 131.2 Ų | 131.2 | 81% | 0.807 | 80% | 0.795 | S | S | * | * | cis | -141 | 158.2 | 3.1 | -137.2 | -25.4 | 0 | 0 | 0 | 113.3 | ||||
| 321 | K | 33 | Very low | 35 | Very low | 184 Ų | 184 | 133.6 Ų | 133.6 | 80% | 0.8 | 80% | 0.8 | S | S | * | * | trans | -74 | 142.5 | -173 | -61.4 | 171.1 | 179.3 | 173.8 | 0 | 112.8 | ||||
| 322 | K | 36.8 | Very low | 34.8 | Very low | 205 Ų | 205 | 130.3 Ų | 130.3 | 89% | 0.891 | 80% | 0.797 | S | S | * | * | -169 | 162.9 | 122.4 | -101.8 | 159.2 | -173.5 | -179.3 | 0 | 111.7 | |||||
| 323 | N | 34.8 | Very low | 35 | Very low | 152 Ų | 152 | 132.5 Ų | 132.5 | 81% | 0.813 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -98.9 | 154.4 | -156 | -55.5 | -7.8 | 0 | 0 | 0 | 113.9 | ||
| 324 | P | 39.2 | Very low | 35.1 | Very low | 107 Ų | 107 | 131.2 Ų | 131.2 | 70% | 0.695 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -95.8 | 164.4 | 165.6 | 38.9 | -34.5 | 0 | 0 | 0 | 113.1 | ||
| 325 | P | 40.7 | Very low | 35.1 | Very low | 118 Ų | 118 | 131 Ų | 131 | 77% | 0.766 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -96.3 | 140.3 | 139.8 | 34.7 | -27 | 0 | 0 | 0 | 109.7 | ||
| 326 | S | 34.2 | Very low | 35.3 | Very low | 117 Ų | 117 | 134.7 Ų | 134.7 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | cis | 86 | 102.5 | 37.2 | -61.3 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 327 | G | 33.5 | Very low | 35.4 | Very low | 90 Ų | 90 | 137.4 Ų | 137.4 | 93% | 0.928 | 79% | 0.788 | S | S | * | * | trans | 104.1 | 121.5 | 157.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 328 | G | 33.2 | Very low | 35.6 | Very low | 78 Ų | 78 | 136.5 Ų | 136.5 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | trans | 156.9 | 59.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 329 | N | 32.8 | Very low | 35.6 | Very low | 161 Ų | 161 | 135.3 Ų | 135.3 | 86% | 0.861 | 78% | 0.781 | S | S | * | * | trans | -73.6 | 143.9 | 166.3 | -75.5 | -9 | 0 | 0 | 0 | 110.4 | ||||
| 330 | F | 33.9 | Very low | 35.6 | Very low | 190 Ų | 190 | 137 Ų | 137 | 83% | 0.833 | 79% | 0.786 | S | S | * | * | trans | -162.5 | 127.5 | 142.1 | -128.7 | -132.2 | 0 | 0 | 0 | 114.1 | ||||
| 331 | I | 35.6 | Very low | 35.4 | Very low | 133 Ų | 133 | 135 Ų | 135 | 68% | 0.682 | 78% | 0.783 | S | S | * | * | trans | 59.3 | 112 | 148.1 | -62.8 | -174.2 | 0 | 0 | 0 | 120.1 | ||||
| 332 | S | 36 | Very low | 35.3 | Very low | 108 Ų | 108 | 135.5 Ų | 135.5 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | trans | -85.4 | 168.1 | 147.6 | -45.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 333 | P | 41.9 | Very low | 35.4 | Very low | 107 Ų | 107 | 131.7 Ų | 131.7 | 70% | 0.695 | 78% | 0.778 | S | S | * | * | -148.3 | 152.6 | 94.4 | 36.9 | -20 | 0 | 0 | 0 | 117 | |||||
| 334 | D | 34.9 | Very low | 35.2 | Very low | 131 Ų | 131 | 128.8 Ų | 128.8 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | trans | 40.8 | 127.4 | 138.4 | -47.5 | -25 | 0 | 0 | 0 | 121.6 | ||||
| 335 | N | 35.4 | Very low | 34.9 | Very low | 138 Ų | 138 | 131.9 Ų | 131.9 | 74% | 0.738 | 78% | 0.783 | S | S | * | * | -170 | 153.6 | 91.5 | -102.7 | -66.9 | 0 | 0 | 0 | 116.7 | |||||
| 336 | H | 37.6 | Very low | 34.7 | Very low | 154 Ų | 154 | 132 Ų | 132 | 71% | 0.713 | 78% | 0.783 | S | S | * | * | trans | 66.7 | 105.1 | 157.3 | -73.2 | -63 | 0 | 0 | 0 | 123.9 | ||||
| 337 | E | 33.3 | Very low | 34.5 | Very low | 178 Ų | 178 | 131 Ų | 131 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | 99.6 | 147.4 | 128.7 | -67.3 | -154.8 | 138.1 | 0 | 0 | 122.6 | |||||
| 338 | P | 37.5 | Very low | 34.4 | Very low | 106 Ų | 106 | 132.3 Ų | 132.3 | 69% | 0.688 | 78% | 0.777 | S | S | * | * | trans | -121.8 | 168.4 | -147 | 41.3 | -27.2 | 0 | 0 | 0 | 116.1 | ||||
| 339 | P | 32.1 | Very low | 34.2 | Very low | 126 Ų | 126 | 134.8 Ų | 134.8 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 146.1 | 176.9 | 34 | -35.1 | 0 | 0 | 0 | 113.6 | ||
| 340 | V | 36.8 | Very low | 33.9 | Very low | 144 Ų | 144 | 138.2 Ų | 138.2 | 87% | 0.873 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -90.8 | 135.6 | 173.8 | -178.8 | 0 | 0 | 0 | 0 | 110.9 | ||
| 341 | S | 30.9 | Very low | 33.7 | Very low | 107 Ų | 107 | 137.4 Ų | 137.4 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -96.8 | 150.5 | -175.8 | 50.6 | 0 | 0 | 0 | 0 | 113.7 | ||
| 342 | Y | 31.1 | Very low | 33.5 | Very low | 195 Ų | 195 | 137.5 Ų | 137.5 | 77% | 0.765 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -87.7 | 142.6 | 168.2 | -69.3 | -81 | 0 | 0 | 0 | 110.9 | ||
| 343 | P | 38.7 | Very low | 33 | Very low | 126 Ų | 126 | 140.2 Ų | 140.2 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -72 | 152.2 | 165 | -7.4 | 23.6 | 0 | 0 | 0 | 111.4 | ||
| 344 | A | 30.5 | Very low | 32.3 | Very low | 91 Ų | 91 | 143.3 Ų | 143.3 | 75% | 0.752 | 78% | 0.781 | S | S | * | * | trans | -132.8 | -173.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 345 | M | 33 | Very low | 31.9 | Very low | 172 Ų | 172 | 146.3 Ų | 146.3 | 85% | 0.847 | 79% | 0.788 | S | S | * | * | trans | 92.5 | 158.1 | 174.4 | -58.8 | -67.9 | -82.8 | 0 | 0 | 116.5 | ||||
| 346 | P | 35.7 | Very low | 31.4 | Very low | 120 Ų | 120 | 148.4 Ų | 148.4 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | cis | -116.7 | 178 | -3.4 | 17.6 | 5.9 | 0 | 0 | 0 | 114.3 | ||||
| 347 | A | 30.4 | Very low | 30.7 | Very low | 96 Ų | 96 | 146.2 Ų | 146.2 | 79% | 0.793 | 79% | 0.793 | S | S | * | * | trans | -142.3 | 137.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 348 | S | 30.5 | Very low | 30.3 | Very low | 117 Ų | 117 | 146 Ų | 146 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | -169.4 | 160.2 | 160.5 | 56.7 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 349 | V | 30.4 | Very low | 29.6 | Very low | 130 Ų | 130 | 148.2 Ų | 148.2 | 79% | 0.788 | 79% | 0.791 | S | S | * | * | cis | -129 | 160.3 | 17.5 | 173.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 350 | R | 25.7 | Very low | 29.5 | Very low | 234 Ų | 234 | 148 Ų | 148 | 88% | 0.883 | 79% | 0.787 | S | S | * | * | trans | -122.6 | 144.8 | 166.4 | -69.2 | 177.6 | 175.5 | 170.2 | -2 | 109.6 | ||||
| 351 | Q | 30.6 | Very low | 29 | Very low | 172 Ų | 172 | 143.7 Ų | 143.7 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | trans | -171.7 | 151.3 | 148.8 | -83.1 | -168.2 | -78.5 | 0 | 0 | 106.2 | ||||
| 352 | D | 31.1 | Very low | 28.9 | Very low | 135 Ų | 135 | 144.9 Ų | 144.9 | 72% | 0.722 | 76% | 0.757 | S | S | * | * | cis | -152.9 | -174.9 | -17.9 | -100.5 | -21.1 | 0 | 0 | 0 | 110.1 | ||||
| 353 | E | 25.1 | Very low | 28.7 | Very low | 166 Ų | 166 | 142.7 Ų | 142.7 | 78% | 0.776 | 76% | 0.758 | S | S | * | * | trans | -90.9 | -160.9 | -169.1 | -57.4 | -158.5 | 127.7 | 0 | 0 | 116.5 | ||||
| 354 | F | 26.3 | Very low | 28.1 | Very low | 172 Ų | 172 | 142.6 Ų | 142.6 | 75% | 0.754 | 76% | 0.757 | S | S | * | * | trans | 83.2 | 137.5 | 178.2 | -69 | -96.2 | 0 | 0 | 0 | 116.5 | ||||
| 355 | F | 27.7 | Very low | 27.9 | Very low | 193 Ų | 193 | 144 Ų | 144 | 85% | 0.846 | 76% | 0.756 | S | S | * | * | cis | -120.2 | 165.1 | 5.6 | -108.6 | -85.7 | 0 | 0 | 0 | 113.8 | ||||
| 356 | K | 24.6 | Very low | 27.5 | Very low | 183 Ų | 183 | 141 Ų | 141 | 80% | 0.796 | 75% | 0.752 | S | S | * | * | trans | -102 | 157.8 | 179 | -81.2 | 175.4 | 177.8 | 163.9 | 0 | 113.6 | ||||
| 357 | S | 23.7 | Very low | 27 | Very low | 107 Ų | 107 | 143.1 Ų | 143.1 | 75% | 0.748 | 75% | 0.751 | S | S | * | * | trans | 58.7 | 122.7 | 144 | 60.3 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 358 | L | 24.1 | Very low | 26.6 | Very low | 173 Ų | 173 | 148.6 Ų | 148.6 | 91% | 0.906 | 75% | 0.752 | S | S | * | * | -147.8 | 143.6 | 119.3 | -105.6 | 152.1 | 0 | 0 | 0 | 109.2 | |||||
| 359 | R | 23.3 | Very low | 26.5 | Very low | 153 Ų | 153 | 150.1 Ų | 150.1 | 58% | 0.577 | 75% | 0.749 | S | S | * | * | trans | -126.3 | 122 | -177.1 | -86.4 | 178.3 | 165.5 | -169.6 | -6.5 | 109.6 | N543 N544 D545 | R359-N543 PolarHBondContact NH1-O 3.38Å; R359-N544 PolarHBondContact NH1-O 3.42Å; R359-N544 PolarHBondContact NH2-O 2.96Å; R359-D545 IonicContact NH2-OD1 2.76Å; R359-D545 PolarHBondContact NH2-OD1 3.11Å; R359-D545 VanDerWaalsContact NH2-OD1 3.15Å | ||
| 360 | V | 29 | Very low | 26.1 | Very low | 121 Ų | 121 | 150.9 Ų | 150.9 | 73% | 0.733 | 75% | 0.749 | S | S | * | * | trans | -148.4 | 117.3 | 162.8 | -152.4 | 0 | 0 | 0 | 0 | 103.5 | ||||
| 361 | N | 26.4 | Very low | 26.2 | Very low | 55 Ų | 55 | 143.6 Ų | 143.6 | 29% | 0.294 | 74% | 0.739 | S | S | . | * | 55.9 | 130.5 | 71.2 | -54.1 | -19 | 0 | 0 | 0 | 110.4 | N543 N544 | N361-N543 PolarHBondContact ND2-ND2 3.39Å; N361-N543 VanDerWaalsContact ND2-ND2 3.13Å; N361-N544 PolarHBondContact OD1-ND2 2.59Å | |||
| 362 | D | 29.7 | Very low | 25.9 | Very low | 131 Ų | 131 | 143.8 Ų | 143.8 | 70% | 0.701 | 75% | 0.745 | S | S | * | * | cis | -144.1 | -139.2 | 27.9 | -93.9 | -53.8 | 0 | 0 | 0 | 114.5 | ||||
| 363 | L | 25.8 | Very low | 25.6 | Very low | 149 Ų | 149 | 139.8 Ų | 139.8 | 78% | 0.78 | 74% | 0.736 | S | S | * | * | trans | -87.6 | 164.3 | -157.5 | -87.8 | 83.7 | 0 | 0 | 0 | 115.4 | ||||
| 364 | P | 26.6 | Very low | 25.5 | Very low | 124 Ų | 124 | 137.5 Ų | 137.5 | 81% | 0.805 | 74% | 0.736 | S | S | * | * | trans | -80.4 | 149 | -176.9 | 33.5 | -36.5 | 0 | 0 | 0 | 113.5 | ||||
| 365 | V | 27 | Very low | 25.4 | Very low | 121 Ų | 121 | 134 Ų | 134 | 73% | 0.733 | 73% | 0.728 | S | S | * | * | trans | -131.2 | 135.4 | 168.4 | -178.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 366 | S | 23 | Very low | 25.2 | Very low | 109 Ų | 109 | 130.9 Ų | 130.9 | 76% | 0.762 | 72% | 0.716 | S | S | * | * | trans | -88.2 | 127 | 175.1 | 45.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 367 | H | 26.9 | Very low | 25.2 | Very low | 164 Ų | 164 | 127.1 Ų | 127.1 | 76% | 0.759 | 70% | 0.7 | S | S | * | * | trans | -134.1 | 125.6 | 162.2 | -81.9 | -73.3 | 0 | 0 | 0 | 110.6 | ||||
| 368 | R | 22.1 | Very low | 25.4 | Very low | 211 Ų | 211 | 123.5 Ų | 123.5 | 80% | 0.796 | 67% | 0.673 | S | S | * | * | trans | -64 | 141.3 | 157.5 | -72.9 | 179.4 | 172.5 | 176.7 | -5.1 | 108.2 | ||||
| 369 | I | 27 | Very low | 25.7 | Very low | 149 Ų | 149 | 115.5 Ų | 115.5 | 76% | 0.764 | 63% | 0.632 | S | S | * | * | trans | -131.7 | 104.7 | 161.1 | -61.2 | -179.3 | 0 | 0 | 0 | 106.2 | ||||
| 370 | D | 22.2 | Very low | 26 | Very low | 146 Ų | 146 | 108.9 Ų | 108.9 | 78% | 0.781 | 61% | 0.608 | S | S | * | * | trans | -71.7 | 133.1 | 167.1 | -54.6 | -51.1 | 0 | 0 | 0 | 108.1 | ||||
| 371 | A | 28.8 | Very low | 26.4 | Very low | 82 Ų | 82 | 106.3 Ų | 106.3 | 68% | 0.678 | 59% | 0.589 | S | S | * | * | trans | -148.8 | 82.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | G373 | A371-G373 PolarHBondContact O-N 2.92Š| ||
| 372 | N | 23.8 | Very low | 26.7 | Very low | 176 Ų | 176 | 104 Ų | 104 | 94% | 0.941 | 58% | 0.576 | S | S | * | * | trans | -63.4 | 119.3 | 167.6 | -70.7 | -8.8 | 0 | 0 | 0 | 109.3 | ||||
| 373 | G | 24.7 | Very low | 26.7 | Very low | 51 Ų | 51 | 100 Ų | 100 | 53% | 0.526 | 55% | 0.554 | S | S | . | * | trans | -168.4 | 142.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | A371 V375 | A371-G373 PolarHBondContact O-N 2.92Å; G373-V375 PolarHBondContact O-N 2.98Å; G373-V375 VanDerWaalsContact O-N 3.11Å | ||
| 374 | P | 23 | Very low | 26.7 | Very low | 118 Ų | 118 | 95.1 Ų | 95.1 | 77% | 0.766 | 53% | 0.529 | S | S | * | . | trans | -68.9 | 110.4 | -177.5 | 27.9 | -33.5 | 0 | 0 | 0 | 110.2 | H376 | P374-H376 PolarHBondContact O-N 3.08Š| ||
| 375 | V | 23.3 | Very low | 26.7 | Very low | 97 Ų | 97 | 92.5 Ų | 92.5 | 59% | 0.588 | 51% | 0.507 | S | S | * | . | trans | -76.7 | 106.2 | 171.5 | 178.3 | 0 | 0 | 0 | 0 | 107.6 | G373 F377 | G373-V375 PolarHBondContact O-N 2.98Å; G373-V375 VanDerWaalsContact O-N 3.11Å; V375-F377 HydrophobicContact CB-CD2 4.5Å; V375-F377 HydrophobicContact CB-CE2 4.04Å; V375-F377 HydrophobicContact CB-CZ 4.36Å; V375-F377 HydrophobicContact CG1-CD2 4.34Å; V375-F377 HydrophobicContact CG1-CE1 4.34Å; V375-F377 HydrophobicContact CG1-CE2 4.07Å; V375-F377 HydrophobicContact CG1-CZ 4.08Å; V375-F377 WeakPolarHBondContact O-CD2 3.25Å; V375-F377 PolarHBondContact O-N 2.98Å | ||
| 376 | H | 24 | Very low | 26.6 | Very low | 128 Ų | 128 | 94.5 Ų | 94.5 | 59% | 0.593 | 51% | 0.508 | S | S | * | . | trans | -64.8 | 106.4 | 169.1 | -79.3 | -88.6 | 0 | 0 | 0 | 109.3 | P374 V378 Q1075 | P374-H376 PolarHBondContact O-N 3.08Å; H376-V378 PolarHBondContact O-N 3Å; H376-Q1075 PolarHBondContact ND1-NE2 2.66Å | ||
| 377 | F | 24.3 | Very low | 26.8 | Very low | 105 Ų | 105 | 99.3 Ų | 99.3 | 46% | 0.461 | 51% | 0.51 | S | S | . | . | trans | -79.5 | 118.4 | 174.3 | -72.3 | -86.1 | 0 | 0 | 0 | 109.5 | V375 | V375-F377 HydrophobicContact CB-CD2 4.5Å; V375-F377 HydrophobicContact CB-CE2 4.04Å; V375-F377 HydrophobicContact CB-CZ 4.36Å; V375-F377 HydrophobicContact CG1-CD2 4.34Å; V375-F377 HydrophobicContact CG1-CE1 4.34Å; V375-F377 HydrophobicContact CG1-CE2 4.07Å; V375-F377 HydrophobicContact CG1-CZ 4.08Å; V375-F377 WeakPolarHBondContact O-CD2 3.25Å; V375-F377 PolarHBondContact O-N 2.98Å | ||
| 378 | V | 28.3 | Very low | 26.5 | Very low | 30 Ų | 30 | 100.2 Ų | 100.2 | 18% | 0.182 | 51% | 0.512 | C | S | . | . | trans | -94.4 | 151.6 | 165.6 | -174.4 | 0 | 0 | 0 | 0 | 108.1 | H376 S380 Q382 I384 | H376-V378 PolarHBondContact O-N 3Å; V378-S380 PolarHBondContact O-N 2.98Å; V378-Q382 HydrophobicContact CG1-CB 3.84Å; V378-I384 HydrophobicContact CG2-CD1 3.77Å; V378-I384 HydrophobicContact CG2-CG1 4.42Å | ||
| 379 | S | 30.4 | Very low | 26.7 | Very low | 6 Ų | 6 | 95.9 Ų | 95.9 | 4% | 0.042 | 51% | 0.511 | C | S | . | . | trans | -43.2 | 132.5 | 175.6 | -179.7 | 0 | 0 | 0 | 0 | 111.6 | Q381 Q382 | S379-Q381 PolarHBondContact O-N 2.92Å; S379-Q382 PolarHBondContact O-N 3.21Å | ||
| 380 | S | 30.8 | Very low | 26.7 | Very low | 13 Ų | 13 | 97 Ų | 97 | 9% | 0.091 | 51% | 0.512 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | 14.1 | -167.6 | -60.4 | 0 | 0 | 0 | 0 | 117.5 | V378 L1161 L1162 | V378-S380 PolarHBondContact O-N 2.98Å; S380-L1161 PolarHBondContact OG-O 3.43Å; S380-L1162 WeakPolarHBondContact CB-O 3.26Å |
| 381 | Q | 36.7 | Very low | 26.8 | Very low | 68 Ų | 68 | 99.3 Ų | 99.3 | 32% | 0.318 | 52% | 0.519 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | -14.5 | 161 | -68.8 | 173.8 | -26.8 | 0 | 0 | 112.6 | S379 W915 | S379-Q381 PolarHBondContact O-N 2.92Å; Q381-W915 VanDerWaalsContact O-CD1 3.29Å; Q381-W915 PolarHBondContact O-NE1 2.68Å |
| 382 | Q | 32.7 | Very low | 26.7 | Very low | 7 Ų | 7 | 103.8 Ų | 103.8 | 3% | 0.033 | 52% | 0.523 | C | S | . | . | trans | -134 | 109.8 | -176.1 | -63.3 | 178.9 | 12.8 | 0 | 0 | 109.1 | V378 S379 I970 F1022 D1023 | V378-Q382 HydrophobicContact CG1-CB 3.84Å; S379-Q382 PolarHBondContact O-N 3.21Å; Q382-I970 HydrophobicContact CB-CD1 3.67Å; Q382-I970 HydrophobicContact CB-CG1 4.21Å; Q382-I970 HydrophobicContact CG-CD1 3.78Å; Q382-I970 HydrophobicContact CG-CG1 4.15Å; Q382-F1022 VanDerWaalsContact NE2-C 3.31Å; Q382-F1022 PolarHBondContact NE2-O 3.15Å; Q382-D1023 PolarHBondContact NE2-OD1 3.39Å | ||
| 383 | L | 28.6 | Very low | 26.8 | Very low | 47 Ų | 47 | 101.3 Ų | 101.3 | 25% | 0.246 | 52% | 0.517 | C | S | . | . | trans | -119.8 | 102.6 | -174.4 | -149.4 | 172.1 | 0 | 0 | 0 | 110.7 | N869 L914 | L383-N869 HydrophobicContact CD1-CB 3.57Å; L383-L914 HydrophobicContact CD1-CB 4.46Å; L383-L914 WeakPolarHBondContact CD1-O 3.06Å | ||
| 384 | I | 27 | Very low | 26.8 | Very low | 46 Ų | 46 | 104.2 Ų | 104.2 | 24% | 0.236 | 53% | 0.529 | C | S | . | . | trans | -77.9 | 131.6 | -176.7 | -57.5 | 176.8 | 0 | 0 | 0 | 109.8 | V378 P1018 L1019 L1020 | V378-I384 HydrophobicContact CG2-CD1 3.77Å; V378-I384 HydrophobicContact CG2-CG1 4.42Å; I384-P1018 HydrophobicContact CD1-CB 4.43Å; I384-P1018 HydrophobicContact CG2-CB 3.78Å; I384-L1019 WeakPolarHBondContact CD1-O 3.38Å; I384-L1020 HydrophobicContact CD1-CD2 3.87Å | ||
| 385 | I | 26.4 | Very low | 26.9 | Very low | 69 Ų | 69 | 105.4 Ų | 105.4 | 35% | 0.354 | 53% | 0.534 | S | S | . | . | trans | -113.8 | 106.1 | 169.5 | -62.1 | -179.4 | 0 | 0 | 0 | 107.6 | R387 L914 P931 | I385-R387 PolarHBondContact O-N 3.11Å; I385-L914 HydrophobicContact CD1-CD1 3.57Å; I385-L914 HydrophobicContact CD1-CD2 4.24Å; I385-P931 HydrophobicContact CD1-CG 4.33Å | ||
| 386 | E | 25.3 | Very low | 26.9 | Very low | 162 Ų | 162 | 108.3 Ų | 108.3 | 76% | 0.757 | 54% | 0.541 | S | S | * | . | trans | -59.4 | 134.4 | 165.6 | -67.7 | -165.1 | 137.8 | 0 | 0 | 110.5 | ||||
| 387 | R | 26 | Very low | 27 | Very low | 210 Ų | 210 | 110.3 Ų | 110.3 | 79% | 0.792 | 55% | 0.554 | S | S | * | * | trans | -106.6 | 120.1 | 158.4 | -71.7 | -175 | 178.6 | 176.8 | 3.2 | 107.9 | I385 | I385-R387 PolarHBondContact O-N 3.11Š| ||
| 388 | K | 21.6 | Very low | 26.9 | Very low | 184 Ų | 184 | 113.1 Ų | 113.1 | 80% | 0.8 | 57% | 0.569 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 130.2 | 162.2 | -73.3 | -173 | 174.9 | -178 | 0 | 108.5 | ||
| 389 | P | 26.4 | Very low | 26.9 | Very low | 120 Ų | 120 | 116.7 Ų | 116.7 | 78% | 0.779 | 60% | 0.595 | S | S | * | * | P | Polyproline II helix | trans | -72 | 132.6 | 172.3 | 29.3 | -32.8 | 0 | 0 | 0 | 109.8 | ||
| 390 | E | 26.5 | Very low | 26.6 | Very low | 171 Ų | 171 | 121.5 Ų | 121.5 | 80% | 0.799 | 63% | 0.629 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 131.4 | 168.3 | -68 | -177.8 | 147.8 | 0 | 0 | 109.4 | F392 | E390-F392 PolarHBondContact O-N 2.79Š|
| 391 | Q | 24.1 | Very low | 26.5 | Very low | 195 Ų | 195 | 129.4 Ų | 129.4 | 91% | 0.911 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 119 | 178 | -71.2 | 179.7 | -22.2 | 0 | 0 | 110.6 | ||
| 392 | F | 25.8 | Very low | 26 | Very low | 177 Ų | 177 | 131.4 Ų | 131.4 | 78% | 0.776 | 69% | 0.691 | S | S | * | * | trans | -111.1 | 138.7 | 156.9 | -81.2 | -88.3 | 0 | 0 | 0 | 109.3 | E390 | E390-F392 PolarHBondContact O-N 2.79Š| ||
| 393 | P | 27 | Very low | 25.8 | Very low | 123 Ų | 123 | 137.6 Ų | 137.6 | 80% | 0.799 | 73% | 0.733 | S | S | * | * | trans | -71.8 | 150.8 | -170.9 | 28.5 | -35.1 | 0 | 0 | 0 | 113.2 | ||||
| 394 | S | 24 | Very low | 25.7 | Very low | 112 Ų | 112 | 139.6 Ų | 139.6 | 78% | 0.783 | 75% | 0.751 | S | S | * | * | trans | -76.3 | 149.3 | -170.4 | -43.1 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 395 | V | 24.9 | Very low | 25.6 | Very low | 144 Ų | 144 | 144 Ų | 144 | 87% | 0.873 | 78% | 0.775 | S | S | * | * | trans | -123.1 | 120.8 | 155.4 | 179.6 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 396 | Q | 23.4 | Very low | 25.8 | Very low | 157 Ų | 157 | 149.1 Ų | 149.1 | 73% | 0.734 | 80% | 0.802 | S | S | * | * | trans | -93 | 143.1 | -178.9 | -65.2 | 175.1 | -50.9 | 0 | 0 | 111.4 | ||||
| 397 | I | 25.8 | Very low | 26.1 | Very low | 171 Ų | 171 | 145.6 Ų | 145.6 | 88% | 0.877 | 80% | 0.8 | S | S | * | * | trans | -134.6 | 132.9 | 150.6 | -59.6 | -177 | 0 | 0 | 0 | 106.9 | ||||
| 398 | Q | 22.7 | Very low | 26.3 | Very low | 164 Ų | 164 | 142.9 Ų | 142.9 | 77% | 0.766 | 80% | 0.802 | S | S | * | * | trans | -113.8 | 133.9 | -175.7 | -62.5 | 175.7 | -64.6 | 0 | 0 | 111.6 | ||||
| 399 | S | 28.5 | Very low | 26.8 | Very low | 105 Ų | 105 | 140.8 Ų | 140.8 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | trans | -171.4 | 99.2 | 142.4 | 53.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 400 | S | 25.2 | Very low | 26.9 | Very low | 106 Ų | 106 | 140.9 Ų | 140.9 | 74% | 0.741 | 79% | 0.793 | S | S | * | * | 61 | 99.2 | 70.2 | 79.9 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 401 | L | 28.6 | Very low | 27.1 | Very low | 180 Ų | 180 | 139.8 Ų | 139.8 | 94% | 0.942 | 80% | 0.798 | S | S | * | * | trans | -174.5 | 148.1 | 132.8 | -101.3 | 162.6 | 0 | 0 | 0 | 109.9 | ||||
| 402 | S | 25.1 | Very low | 27.3 | Very low | 110 Ų | 110 | 139 Ų | 139 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | trans | -141.4 | 142.9 | -177.1 | 54.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 403 | C | 28.4 | Very low | 27.5 | Very low | 137 Ų | 137 | 137.8 Ų | 137.8 | 93% | 0.926 | 79% | 0.793 | S | S | * | * | trans | -152.7 | 159.9 | 161.5 | -138.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 404 | S | 26.5 | Very low | 27.5 | Very low | 88 Ų | 88 | 137 Ų | 137 | 62% | 0.615 | 79% | 0.789 | S | S | * | * | trans | -132.5 | 174.3 | -170.6 | 51.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 405 | D | 25.3 | Very low | 27.7 | Very low | 140 Ų | 140 | 138.6 Ų | 138.6 | 75% | 0.749 | 79% | 0.789 | S | S | * | * | trans | 78.1 | 163.7 | 158.7 | -47.3 | -52.6 | 0 | 0 | 0 | 119 | ||||
| 406 | L | 30.4 | Very low | 27.8 | Very low | 175 Ų | 175 | 141 Ų | 141 | 92% | 0.916 | 79% | 0.79 | S | S | * | * | trans | 75 | 133.4 | -172.6 | -50.2 | 175.5 | 0 | 0 | 0 | 115.3 | ||||
| 407 | A | 32.1 | Very low | 27.9 | Very low | 88 Ų | 88 | 141 Ų | 141 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | cis | -160.8 | 169.9 | -12.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 408 | D | 29.1 | Very low | 27.9 | Very low | 154 Ų | 154 | 137.4 Ų | 137.4 | 82% | 0.824 | 79% | 0.79 | S | S | * | * | trans | -60.5 | 164.1 | 169.9 | -48.8 | -89.7 | 0 | 0 | 0 | 111.7 | ||||
| 409 | D | 31.9 | Very low | 28.1 | Very low | 139 Ų | 139 | 137.6 Ų | 137.6 | 74% | 0.743 | 79% | 0.791 | S | S | * | * | -177.6 | 167.1 | 65.1 | -151.8 | -1.2 | 0 | 0 | 0 | 114.5 | |||||
| 410 | L | 29 | Very low | 27.9 | Very low | 123 Ų | 123 | 137.8 Ų | 137.8 | 64% | 0.644 | 79% | 0.792 | S | S | * | * | trans | 38.2 | 114.6 | 154.6 | -76.5 | 162.5 | 0 | 0 | 0 | 122.4 | ||||
| 411 | T | 31.7 | Very low | 28.1 | Very low | 148 Ų | 148 | 137.2 Ų | 137.2 | 91% | 0.908 | 78% | 0.784 | S | S | * | * | -154.7 | 141.8 | 112.3 | -3 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 412 | K | 27.6 | Very low | 28 | Very low | 179 Ų | 179 | 133.5 Ų | 133.5 | 78% | 0.778 | 77% | 0.765 | S | S | * | * | trans | -116.6 | 173 | 179.6 | -80.5 | -176.8 | 175.4 | 177.7 | 0 | 111.5 | ||||
| 413 | N | 29.3 | Very low | 28.2 | Very low | 151 Ų | 151 | 133.5 Ų | 133.5 | 81% | 0.807 | 76% | 0.76 | S | S | * | * | trans | 77.7 | 140.9 | 175.9 | -60.2 | -5.5 | 0 | 0 | 0 | 114.4 | ||||
| 414 | C | 28.6 | Very low | 28.2 | Very low | 105 Ų | 105 | 132.6 Ų | 132.6 | 71% | 0.709 | 75% | 0.746 | S | S | * | * | cis | -146 | 174 | 12.4 | -127.6 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 415 | N | 28.3 | Very low | 28.3 | Very low | 147 Ų | 147 | 132.5 Ų | 132.5 | 79% | 0.786 | 73% | 0.733 | S | S | * | * | trans | 77.9 | 87.2 | 165.5 | -57.7 | -7.5 | 0 | 0 | 0 | 118.4 | ||||
| 416 | E | 25.3 | Very low | 28.4 | Very low | 193 Ų | 193 | 132 Ų | 132 | 90% | 0.902 | 73% | 0.729 | S | S | * | * | trans | -68.4 | 129.6 | 146 | -58.1 | 166.6 | 119.4 | 0 | 0 | 109.8 | ||||
| 417 | I | 27.4 | Very low | 28.3 | Very low | 157 Ų | 157 | 126.1 Ų | 126.1 | 81% | 0.805 | 70% | 0.703 | S | S | * | * | trans | -138.8 | 132.6 | 150.4 | -62.5 | -174.5 | 0 | 0 | 0 | 106.6 | ||||
| 418 | A | 24.2 | Very low | 28.1 | Very low | 96 Ų | 96 | 129.6 Ų | 129.6 | 79% | 0.793 | 70% | 0.704 | S | S | * | * | trans | -87.6 | 131.3 | -180 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 419 | E | 27.6 | Very low | 28 | Very low | 169 Ų | 169 | 126.2 Ų | 126.2 | 79% | 0.79 | 71% | 0.705 | S | S | * | * | trans | -126.7 | 88.6 | 161 | -74.3 | -163.2 | 160.1 | 0 | 0 | 110.2 | T421 | E419-T421 PolarHBondContact O-N 2.93Š| ||
| 420 | S | 24.3 | Very low | 27.8 | Very low | 109 Ų | 109 | 129.2 Ų | 129.2 | 76% | 0.762 | 71% | 0.706 | S | S | * | * | trans | -68.6 | 92.6 | 164.9 | 53.4 | 0 | 0 | 0 | 0 | 109.2 | D422 | S420-D422 PolarHBondContact O-N 2.97Š| ||
| 421 | T | 29.3 | Very low | 27.7 | Very low | 94 Ų | 94 | 132.8 Ų | 132.8 | 58% | 0.577 | 72% | 0.719 | S | S | * | * | trans | -89.8 | 93.8 | 176.1 | 30.2 | 0 | 0 | 0 | 0 | 111 | E419 V423 | E419-T421 PolarHBondContact O-N 2.93Å; T421-V423 PolarHBondContact O-N 3.28Å | ||
| 422 | D | 26.3 | Very low | 27.5 | Very low | 101 Ų | 101 | 133 Ų | 133 | 54% | 0.54 | 71% | 0.713 | S | S | . | * | trans | -36 | 109.4 | 171.9 | -83 | 11.7 | 0 | 0 | 0 | 114.8 | S420 N424 R1108 | S420-D422 PolarHBondContact O-N 2.97Å; D422-N424 PolarHBondContact O-N 3.47Å; D422-R1108 IonicContact OD1-CZ 2.74Å; D422-R1108 IonicContact OD1-NH1 3.55Å; D422-R1108 PolarHBondContact OD1-NH1 2.74Å; D422-R1108 IonicContact OD1-NH2 3.4Å; D422-R1108 IonicContact OD2-CZ 3.33Å; D422-R1108 IonicContact OD2-NH1 3.5Å; D422-R1108 PolarHBondContact OD2-NH1 3.45Å; D422-R1108 IonicContact OD2-NH2 3.67Å; D422-R1108 PolarHBondContact OD2-NH2 2.95Å | ||
| 423 | V | 29.6 | Very low | 27.4 | Very low | 110 Ų | 110 | 129.2 Ų | 129.2 | 67% | 0.667 | 72% | 0.716 | S | S | * | * | trans | -86.2 | 105.4 | 166.1 | -177.2 | 0 | 0 | 0 | 0 | 108.6 | T421 Y425 | T421-V423 PolarHBondContact O-N 3.28Å; V423-Y425 HydrophobicContact CG1-CD2 4.01Å; V423-Y425 HydrophobicContact CG1-CE2 4.47Å | ||
| 424 | N | 27.9 | Very low | 27.5 | Very low | 118 Ų | 118 | 129.3 Ų | 129.3 | 63% | 0.631 | 72% | 0.715 | S | S | * | * | trans | -92.7 | 97.3 | 173.2 | -84.9 | -4.7 | 0 | 0 | 0 | 110.9 | D422 I426 R1108 | D422-N424 PolarHBondContact O-N 3.47Å; N424-I426 PolarHBondContact O-N 3.34Å; N424-R1108 PolarHBondContact OD1-NH2 3.43Å | ||
| 425 | Y | 28.3 | Very low | 27.4 | Very low | 86 Ų | 86 | 131.4 Ų | 131.4 | 34% | 0.337 | 72% | 0.719 | S | S | . | * | trans | -77.9 | 94.1 | 169.5 | -114.4 | -77.9 | 0 | 0 | 0 | 110.3 | V423 M1097 F1144 F1145 | V423-Y425 HydrophobicContact CG1-CD2 4.01Å; V423-Y425 HydrophobicContact CG1-CE2 4.47Å; Y425-M1097 HydrophobicContact CE2-CE 3.81Å; Y425-M1097 WeakPolarHBondContact OH-CE 3.36Å; Y425-F1144 HydrophobicContact CE1-CB 3.58Å; Y425-F1144 HydrophobicContact CE1-CD2 4.06Å; Y425-F1144 HydrophobicContact CE1-CG 4.24Å; Y425-F1145 HydrophobicContact CD1-CE1 4.17Å; Y425-F1145 HydrophobicContact CD1-CE2 4.08Å; Y425-F1145 AromaticContact CD1-CZ 3.74Å; Y425-F1145 HydrophobicContact CD1-CZ 3.74Å; Y425-F1145 HydrophobicContact CG-CE1 4.33Å; Y425-F1145 HydrophobicContact CG-CZ 4.25Å; Y425-F1145 WeakPolarHBondContact O-CZ 3.29Å | ||
| 426 | I | 29.1 | Very low | 27.7 | Very low | 131 Ų | 131 | 132.2 Ų | 132.2 | 67% | 0.672 | 72% | 0.723 | S | S | * | * | trans | -140.2 | 89.2 | 170.9 | -53.2 | -179 | 0 | 0 | 0 | 110.2 | N424 Q428 | N424-I426 PolarHBondContact O-N 3.34Å; I426-Q428 VanDerWaalsContact C-N 3.33Å; I426-Q428 HydrophobicContact CG2-CB 4.18Å; I426-Q428 PolarHBondContact O-N 2.9Å | ||
| 427 | S | 26.5 | Very low | 27.9 | Very low | 51 Ų | 51 | 130 Ų | 130 | 36% | 0.357 | 72% | 0.717 | S | S | . | * | trans | -79.8 | 82.3 | 157.2 | 47 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 428 | Q | 29.6 | Very low | 28.2 | Very low | 161 Ų | 161 | 129.8 Ų | 129.8 | 75% | 0.752 | 72% | 0.718 | S | S | * | * | trans | -160.4 | 118.7 | 166.5 | -124.7 | 166.6 | 76.2 | 0 | 0 | 112.5 | I426 R430 | I426-Q428 VanDerWaalsContact C-N 3.33Å; I426-Q428 HydrophobicContact CG2-CB 4.18Å; I426-Q428 PolarHBondContact O-N 2.9Å; Q428-R430 PolarHBondContact O-N 3.02Å | ||
| 429 | G | 25.3 | Very low | 28.5 | Very low | 82 Ų | 82 | 131.4 Ų | 131.4 | 85% | 0.845 | 71% | 0.713 | S | S | * | * | trans | -77.7 | 109.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 430 | R | 29.2 | Very low | 28.7 | Very low | 203 Ų | 203 | 130.7 Ų | 130.7 | 77% | 0.766 | 71% | 0.714 | S | S | * | * | trans | -160.1 | 123.3 | 154.1 | -114.1 | 169.9 | -167.3 | 144.2 | 12.2 | 111.7 | Q428 I432 | Q428-R430 PolarHBondContact O-N 3.02Å; R430-I432 PolarHBondContact O-N 3.25Å | ||
| 431 | E | 25.8 | Very low | 29.1 | Very low | 197 Ų | 197 | 131 Ų | 131 | 92% | 0.921 | 71% | 0.712 | S | S | * | * | trans | -67.8 | 127.1 | 169.4 | -72.6 | 179.3 | 111.7 | 0 | 0 | 111 | ||||
| 432 | I | 28.4 | Very low | 29 | Very low | 152 Ų | 152 | 137.3 Ų | 137.3 | 78% | 0.779 | 73% | 0.725 | S | S | * | * | trans | -136.5 | 114.3 | 154.3 | -58.8 | -177.9 | 0 | 0 | 0 | 106.7 | R430 | R430-I432 PolarHBondContact O-N 3.25Š| ||
| 433 | A | 26.1 | Very low | 29.3 | Very low | 101 Ų | 101 | 142.5 Ų | 142.5 | 84% | 0.835 | 74% | 0.743 | S | S | * | * | trans | -91.1 | 132.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 434 | I | 30.8 | Very low | 29.2 | Very low | 153 Ų | 153 | 143.5 Ų | 143.5 | 79% | 0.785 | 74% | 0.744 | S | S | * | * | trans | -130.6 | 118.3 | 166.6 | -59.8 | -178.2 | 0 | 0 | 0 | 107.6 | ||||
| 435 | N | 27 | Very low | 29.4 | Very low | 149 Ų | 149 | 149.5 Ų | 149.5 | 80% | 0.797 | 76% | 0.76 | S | S | * | * | trans | -73.3 | 148.4 | 171.8 | -76.5 | -39.2 | 0 | 0 | 0 | 110.5 | ||||
| 436 | N | 34.5 | Very low | 29.6 | Very low | 164 Ų | 164 | 149.5 Ų | 149.5 | 88% | 0.877 | 78% | 0.778 | S | S | * | * | -151.6 | 141.4 | 127 | -99.1 | -32.1 | 0 | 0 | 0 | 110.2 | |||||
| 437 | N | 27.8 | Very low | 29.6 | Very low | 145 Ų | 145 | 149 Ų | 149 | 78% | 0.775 | 78% | 0.783 | S | S | * | * | trans | -77.9 | 149.1 | 165.1 | -62.1 | -68.7 | 0 | 0 | 0 | 108.2 | ||||
| 438 | D | 35 | Very low | 29.7 | Very low | 153 Ų | 153 | 154.1 Ų | 154.1 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | -152.1 | 162.7 | 112.6 | -126.6 | -34 | 0 | 0 | 0 | 112.9 | |||||
| 439 | N | 29.2 | Very low | 29.6 | Very low | 131 Ų | 131 | 154.1 Ų | 154.1 | 70% | 0.701 | 81% | 0.81 | S | S | * | * | trans | -94 | 151.1 | -177.9 | -65.7 | -99.3 | 0 | 0 | 0 | 110.8 | ||||
| 440 | L | 32.5 | Very low | 29.7 | Very low | 153 Ų | 153 | 156.3 Ų | 156.3 | 80% | 0.801 | 81% | 0.807 | S | S | * | * | -174 | 140.2 | 116.3 | -118.7 | 84.2 | 0 | 0 | 0 | 115.1 | |||||
| 441 | T | 33.7 | Very low | 29.6 | Very low | 117 Ų | 117 | 152.5 Ų | 152.5 | 72% | 0.718 | 81% | 0.806 | S | S | * | * | trans | 44.8 | 85.2 | 148 | 54.3 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 442 | R | 27 | Very low | 29.7 | Very low | 225 Ų | 225 | 149.9 Ų | 149.9 | 85% | 0.849 | 80% | 0.804 | S | S | * | * | 36.5 | 105.9 | 104.6 | -168.3 | -169 | -159.2 | -179 | 8.9 | 118.4 | |||||
| 443 | K | 31.6 | Very low | 29.8 | Very low | 211 Ų | 211 | 146.5 Ų | 146.5 | 92% | 0.917 | 80% | 0.799 | S | S | * | * | trans | -135.2 | 148.4 | 142.1 | -101.1 | -178.2 | 179.3 | 176 | 0 | 109.8 | ||||
| 444 | N | 29 | Very low | 30 | Very low | 131 Ų | 131 | 149.9 Ų | 149.9 | 70% | 0.701 | 80% | 0.803 | S | S | * | * | trans | -95.7 | 143 | -174.4 | -39.2 | -50.9 | 0 | 0 | 0 | 110.9 | ||||
| 445 | Y | 31.4 | Very low | 30 | Very low | 243 Ų | 243 | 146.2 Ų | 146.2 | 95% | 0.953 | 80% | 0.802 | S | S | * | * | trans | -136.8 | 139.1 | 138.1 | -95.6 | -82 | 0 | 0 | 0 | 108.3 | ||||
| 446 | A | 32 | Very low | 30.1 | Very low | 86 Ų | 86 | 148.9 Ų | 148.9 | 71% | 0.711 | 81% | 0.807 | S | S | * | * | trans | -106.3 | 155.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 447 | P | 29.9 | Very low | 29.9 | Very low | 121 Ų | 121 | 146.3 Ų | 146.3 | 79% | 0.786 | 80% | 0.798 | S | S | * | * | trans | -84.1 | 131.9 | 179 | 32.9 | -32.6 | 0 | 0 | 0 | 111.4 | ||||
| 448 | D | 28.1 | Very low | 29.9 | Very low | 159 Ų | 159 | 148 Ų | 148 | 85% | 0.85 | 80% | 0.798 | S | S | * | * | trans | -91.2 | 133.6 | 168 | -87 | -43.3 | 0 | 0 | 0 | 111.5 | ||||
| 449 | I | 26.8 | Very low | 29.7 | Very low | 160 Ų | 160 | 148.6 Ų | 148.6 | 82% | 0.821 | 80% | 0.795 | S | S | * | * | trans | -110.1 | 117.8 | 167.9 | -63.7 | 168.7 | 0 | 0 | 0 | 106.6 | ||||
| 450 | T | 27.9 | Very low | 29.6 | Very low | 129 Ų | 129 | 146.9 Ų | 146.9 | 79% | 0.791 | 79% | 0.794 | S | S | * | * | trans | -142.4 | 129.3 | 165.8 | -15.9 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 451 | V | 27.5 | Very low | 29.5 | Very low | 122 Ų | 122 | 148.1 Ų | 148.1 | 74% | 0.739 | 80% | 0.795 | S | S | * | * | trans | -82.6 | 145.7 | 161.5 | 178.1 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 452 | T | 27.7 | Very low | 29.5 | Very low | 142 Ų | 142 | 147 Ų | 147 | 87% | 0.871 | 79% | 0.792 | S | S | * | * | -172.3 | 165.2 | 122.5 | 24.3 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 453 | A | 30.7 | Very low | 29.7 | Very low | 82 Ų | 82 | 142.4 Ų | 142.4 | 68% | 0.678 | 79% | 0.785 | S | S | * | * | trans | -112.3 | 162.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 454 | N | 30.9 | Very low | 29.8 | Very low | 171 Ų | 171 | 139.2 Ų | 139.2 | 91% | 0.914 | 78% | 0.777 | S | S | * | * | trans | 65.3 | 134 | 160.2 | -62.1 | -8.1 | 0 | 0 | 0 | 119.2 | ||||
| 455 | G | 29.4 | Very low | 30 | Very low | 76 Ų | 76 | 137.9 Ų | 137.9 | 78% | 0.784 | 78% | 0.778 | S | S | * | * | trans | 141.8 | 89.1 | 147.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 456 | F | 30.5 | Very low | 30 | Very low | 205 Ų | 205 | 130.7 Ų | 130.7 | 90% | 0.899 | 76% | 0.763 | S | S | * | * | trans | -102.6 | 102.5 | 156.4 | -119 | -94.3 | 0 | 0 | 0 | 110 | ||||
| 457 | V | 28.9 | Very low | 30.1 | Very low | 111 Ų | 111 | 135.2 Ų | 135.2 | 67% | 0.673 | 77% | 0.77 | S | S | * | * | trans | 64.1 | 97.6 | 147.2 | -177.8 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 458 | K | 27.7 | Very low | 30.2 | Very low | 179 Ų | 179 | 133.3 Ų | 133.3 | 78% | 0.778 | 76% | 0.759 | S | S | * | * | -165.9 | 123 | 101.3 | -99.4 | -172.7 | -178.8 | 179.4 | 0 | 114.8 | |||||
| 459 | H | 31 | Very low | 30.5 | Very low | 166 Ų | 166 | 131.7 Ų | 131.7 | 77% | 0.769 | 75% | 0.751 | S | S | * | * | trans | 68.8 | 132.3 | 152 | -70.9 | -76.7 | 0 | 0 | 0 | 125.4 | ||||
| 460 | S | 28.4 | Very low | 30.8 | Very low | 96 Ų | 96 | 131 Ų | 131 | 67% | 0.671 | 75% | 0.749 | S | S | * | * | trans | 82 | 110.1 | 138 | 51.9 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 461 | Q | 30.4 | Very low | 31 | Very low | 178 Ų | 178 | 128.3 Ų | 128.3 | 83% | 0.832 | 74% | 0.739 | S | S | * | * | trans | 62.1 | 112.3 | 139.3 | -71.2 | 165.3 | -34.9 | 0 | 0 | 118.5 | ||||
| 462 | S | 32.3 | Very low | 31.2 | Very low | 93 Ų | 93 | 130.6 Ų | 130.6 | 65% | 0.65 | 74% | 0.742 | S | S | * | * | 89.6 | 147.5 | 69.1 | 89.1 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 463 | D | 32.7 | Very low | 31.3 | Very low | 130 Ų | 130 | 129.9 Ų | 129.9 | 70% | 0.695 | 73% | 0.729 | S | S | * | * | cis | -151.3 | 161.9 | 18.1 | -99.2 | -57.3 | 0 | 0 | 0 | 114.6 | ||||
| 464 | L | 32.9 | Very low | 31.2 | Very low | 144 Ų | 144 | 134.1 Ų | 134.1 | 75% | 0.754 | 73% | 0.734 | S | S | * | * | trans | 46 | 113.7 | 143 | -63.8 | 168.6 | 0 | 0 | 0 | 121.8 | ||||
| 465 | S | 32.4 | Very low | 31.2 | Very low | 103 Ų | 103 | 130 Ų | 130 | 72% | 0.72 | 72% | 0.724 | S | S | * | * | 96.3 | 155.4 | 94.5 | 78.6 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 466 | S | 32.4 | Very low | 31.1 | Very low | 91 Ų | 91 | 132.2 Ų | 132.2 | 64% | 0.636 | 72% | 0.722 | S | S | * | * | cis | -173.9 | 150 | -18.7 | 50 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 467 | Q | 33.5 | Very low | 31 | Very low | 182 Ų | 182 | 129.1 Ų | 129.1 | 85% | 0.85 | 71% | 0.713 | S | S | * | * | trans | 63.7 | 161.5 | 150.1 | -69.9 | 175.1 | 12.5 | 0 | 0 | 120.1 | ||||
| 468 | S | 32.1 | Very low | 30.9 | Very low | 81 Ų | 81 | 134.7 Ų | 134.7 | 57% | 0.566 | 72% | 0.722 | S | S | * | * | cis | -168 | 164.2 | -32.7 | 65.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 469 | N | 34 | Very low | 31.4 | Very low | 125 Ų | 125 | 131.8 Ų | 131.8 | 67% | 0.668 | 72% | 0.721 | S | S | * | * | trans | 71.1 | 119.1 | 141.7 | -69.2 | -24.4 | 0 | 0 | 0 | 123.9 | ||||
| 470 | N | 33.5 | Very low | 31.4 | Very low | 146 Ų | 146 | 132.4 Ų | 132.4 | 78% | 0.781 | 73% | 0.73 | S | S | * | * | 72.3 | 153 | 126 | -63.5 | -22.8 | 0 | 0 | 0 | 122.3 | |||||
| 471 | A | 32.9 | Very low | 31.6 | Very low | 72 Ų | 72 | 135.3 Ų | 135.3 | 60% | 0.595 | 74% | 0.737 | S | S | * | * | cis | -172.2 | 165.5 | -27.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 472 | Q | 31.4 | Very low | 32 | Very low | 169 Ų | 169 | 132.2 Ų | 132.2 | 79% | 0.79 | 73% | 0.732 | S | S | * | * | trans | 68.3 | 155.6 | 160.2 | -62.6 | -178 | 10.3 | 0 | 0 | 116.4 | ||||
| 473 | Q | 29.2 | Very low | 31.8 | Very low | 128 Ų | 128 | 131.6 Ų | 131.6 | 60% | 0.598 | 73% | 0.732 | S | S | * | * | cis | -159.9 | 150.1 | -11.3 | -116.3 | -179.3 | 76 | 0 | 0 | 109.2 | ||||
| 474 | Q | 29.7 | Very low | 31.6 | Very low | 171 Ų | 171 | 134.5 Ų | 134.5 | 80% | 0.799 | 74% | 0.739 | S | S | * | * | trans | 50.1 | 148.6 | 149.3 | -57.1 | -174.4 | 35.2 | 0 | 0 | 121 | ||||
| 475 | A | 29.5 | Very low | 31.4 | Very low | 83 Ų | 83 | 133 Ų | 133 | 69% | 0.686 | 74% | 0.74 | S | S | * | * | cis | -174 | -165.5 | -16.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 476 | V | 27.8 | Very low | 31.3 | Very low | 124 Ų | 124 | 132.4 Ų | 132.4 | 75% | 0.752 | 74% | 0.736 | S | S | * | * | trans | 86.6 | 102 | 157.7 | -172.2 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 477 | I | 29.1 | Very low | 31 | Very low | 140 Ų | 140 | 138 Ų | 138 | 72% | 0.718 | 74% | 0.744 | S | S | * | * | 43.2 | 119.2 | 127.4 | -52.3 | 171.6 | 0 | 0 | 0 | 117.2 | |||||
| 478 | R | 26.8 | Very low | 30.9 | Very low | 228 Ų | 228 | 137.6 Ų | 137.6 | 86% | 0.86 | 74% | 0.741 | S | S | * | * | -176 | 154.9 | 70.1 | -142.9 | 155.5 | -150.4 | -145.1 | 0.8 | 113.2 | |||||
| 479 | P | 36.9 | Very low | 30.8 | Very low | 117 Ų | 117 | 138.5 Ų | 138.5 | 76% | 0.76 | 75% | 0.747 | S | S | * | * | trans | -95.5 | 154.6 | 171.1 | 36.6 | -34.2 | 0 | 0 | 0 | 113.9 | ||||
| 480 | L | 32.1 | Very low | 30.4 | Very low | 179 Ų | 179 | 137.4 Ų | 137.4 | 94% | 0.937 | 75% | 0.75 | S | S | * | * | trans | -141.9 | 131.7 | 167.1 | -88.1 | 172.5 | 0 | 0 | 0 | 112.8 | ||||
| 481 | L | 31.8 | Very low | 30.1 | Very low | 158 Ų | 158 | 135.9 Ų | 135.9 | 83% | 0.827 | 75% | 0.745 | S | S | * | * | trans | -94.3 | 178.3 | 160.9 | -83.8 | 154.1 | 0 | 0 | 0 | 108.5 | ||||
| 482 | P | 40 | Very low | 29.8 | Very low | 112 Ų | 112 | 140.5 Ų | 140.5 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | cis | -131.6 | -164.8 | -29.1 | 30.4 | -9 | 0 | 0 | 0 | 111.4 | ||||
| 483 | A | 28.2 | Very low | 29.6 | Very low | 80 Ų | 80 | 138.4 Ų | 138.4 | 66% | 0.661 | 75% | 0.746 | S | S | * | * | 139.2 | 143.7 | 114.4 | 0 | 0 | 0 | 0 | 0 | 118 | |||||
| 484 | K | 28 | Very low | 29.5 | Very low | 192 Ų | 192 | 137.8 Ų | 137.8 | 84% | 0.835 | 75% | 0.748 | S | S | * | * | trans | 68 | 113 | 144.3 | -74.4 | 168.3 | 179.9 | -179.4 | 0 | 121.7 | ||||
| 485 | S | 28.9 | Very low | 29.5 | Very low | 111 Ų | 111 | 135.5 Ų | 135.5 | 78% | 0.776 | 74% | 0.741 | S | S | * | * | 75.7 | 159.2 | 122.4 | 83.2 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 486 | S | 28.9 | Very low | 29.4 | Very low | 91 Ų | 91 | 135.9 Ų | 135.9 | 64% | 0.636 | 74% | 0.738 | S | S | * | * | cis | -176.2 | -175.4 | -24 | 53.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 487 | R | 27.5 | Very low | 29.4 | Very low | 210 Ų | 210 | 135.9 Ų | 135.9 | 79% | 0.792 | 73% | 0.734 | S | S | * | * | trans | 80 | 128.8 | 166.9 | -63 | 174.8 | 177.4 | -178.1 | -3.2 | 114.9 | ||||
| 488 | H | 30.3 | Very low | 29.6 | Very low | 172 Ų | 172 | 137.7 Ų | 137.7 | 80% | 0.796 | 74% | 0.739 | S | S | * | * | 63.9 | 141.2 | 106.4 | -53.8 | -47.8 | 0 | 0 | 0 | 113.2 | |||||
| 489 | S | 30.7 | Very low | 29.7 | Very low | 100 Ų | 100 | 131.4 Ų | 131.4 | 70% | 0.699 | 73% | 0.73 | S | S | * | * | cis | -156.1 | 132 | 14.6 | 28.9 | 0 | 0 | 0 | 0 | 107 | ||||
| 490 | S | 25.9 | Very low | 29.5 | Very low | 103 Ų | 103 | 131.3 Ų | 131.3 | 72% | 0.72 | 73% | 0.727 | S | S | * | * | 70.3 | 122.3 | 70 | 79.1 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 491 | V | 26.4 | Very low | 29.6 | Very low | 113 Ų | 113 | 129.1 Ų | 129.1 | 69% | 0.685 | 72% | 0.717 | S | S | * | * | trans | 79.9 | 145.2 | 156.3 | -133.3 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 492 | F | 27.5 | Very low | 29.7 | Very low | 169 Ų | 169 | 125.3 Ų | 125.3 | 74% | 0.741 | 70% | 0.703 | S | S | * | * | trans | 94.7 | 101.5 | 151.6 | -63.2 | -53.3 | 0 | 0 | 0 | 121.7 | ||||
| 493 | N | 27 | Very low | 29.4 | Very low | 125 Ų | 125 | 125.5 Ų | 125.5 | 67% | 0.668 | 70% | 0.702 | S | S | * | * | 85.8 | 115.7 | 114.9 | -74.5 | 15.2 | 0 | 0 | 0 | 123.4 | |||||
| 494 | N | 27.4 | Very low | 29.7 | Very low | 116 Ų | 116 | 128.1 Ų | 128.1 | 62% | 0.62 | 71% | 0.705 | S | S | * | * | 96.2 | 135.2 | 114 | -77.3 | 41.7 | 0 | 0 | 0 | 122.8 | |||||
| 495 | D | 28 | Very low | 30 | Very low | 123 Ų | 123 | 123 Ų | 123 | 66% | 0.658 | 69% | 0.694 | S | S | * | * | trans | 67.8 | 88.4 | 131.9 | -53.8 | -13.4 | 0 | 0 | 0 | 121.8 | ||||
| 496 | S | 27.9 | Very low | 30.1 | Very low | 91 Ų | 91 | 125.7 Ų | 125.7 | 64% | 0.636 | 69% | 0.691 | S | S | * | * | 94.8 | 154.8 | 104 | 80 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 497 | N | 27.7 | Very low | 30.2 | Very low | 124 Ų | 124 | 126.8 Ų | 126.8 | 66% | 0.663 | 69% | 0.69 | S | S | * | * | trans | 76.7 | 118.2 | 142.3 | -68.7 | -16.4 | 0 | 0 | 0 | 122.2 | ||||
| 498 | H | 32.8 | Very low | 30.5 | Very low | 177 Ų | 177 | 123.6 Ų | 123.6 | 82% | 0.819 | 68% | 0.684 | S | S | * | * | trans | 65.3 | 156.9 | 152.4 | -53.2 | -55.1 | 0 | 0 | 0 | 117.2 | ||||
| 499 | S | 29.9 | Very low | 30.5 | Very low | 97 Ų | 97 | 121.4 Ų | 121.4 | 68% | 0.678 | 68% | 0.678 | S | S | * | * | cis | -142.3 | 154.9 | 5.9 | -176 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 500 | V | 32 | Very low | 30.5 | Very low | 115 Ų | 115 | 123.1 Ų | 123.1 | 70% | 0.697 | 68% | 0.68 | S | S | * | * | trans | -30.2 | 143.9 | 147.3 | -130.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 501 | D | 34 | Very low | 30.8 | Very low | 133 Ų | 133 | 125 Ų | 125 | 71% | 0.711 | 68% | 0.682 | S | S | * | * | 178.7 | 165.5 | 76.7 | -110.4 | -43.8 | 0 | 0 | 0 | 111.2 | |||||
| 502 | S | 35.7 | Very low | 30.9 | Very low | 77 Ų | 77 | 128.3 Ų | 128.3 | 54% | 0.538 | 69% | 0.692 | S | S | . | * | cis | -165.7 | 146.1 | -4.7 | -140.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 503 | T | 33.3 | Very low | 31 | Very low | 117 Ų | 117 | 124.3 Ų | 124.3 | 72% | 0.718 | 69% | 0.691 | S | S | * | * | trans | 59.1 | 161 | 140.8 | 63.2 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 504 | N | 32.9 | Very low | 31.3 | Very low | 135 Ų | 135 | 124.1 Ų | 124.1 | 72% | 0.722 | 70% | 0.696 | S | S | * | * | cis | -156 | 143.5 | -3.6 | -126.5 | -20.2 | 0 | 0 | 0 | 115.2 | ||||
| 505 | S | 34.3 | Very low | 31.2 | Very low | 84 Ų | 84 | 126 Ų | 126 | 59% | 0.587 | 71% | 0.705 | S | S | * | * | trans | 66.8 | 167.1 | 130.2 | 79 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 506 | F | 32.1 | Very low | 31.1 | Very low | 167 Ų | 167 | 126.8 Ų | 126.8 | 73% | 0.732 | 71% | 0.708 | S | S | * | * | cis | -124.7 | 134.7 | -5 | -109.3 | -102.9 | 0 | 0 | 0 | 107.1 | ||||
| 507 | N | 31.6 | Very low | 30.9 | Very low | 114 Ų | 114 | 127 Ų | 127 | 61% | 0.61 | 71% | 0.71 | S | S | * | * | 65.3 | 148.2 | 88.2 | -73.5 | -26.5 | 0 | 0 | 0 | 115.5 | |||||
| 508 | Q | 33.3 | Very low | 30.9 | Very low | 143 Ų | 143 | 129.2 Ų | 129.2 | 67% | 0.668 | 72% | 0.72 | S | S | * | * | cis | -162.3 | 156.3 | 5.9 | -122.7 | 160 | 6.3 | 0 | 0 | 114.2 | ||||
| 509 | N | 31.2 | Very low | 30.6 | Very low | 126 Ų | 126 | 123.7 Ų | 123.7 | 67% | 0.674 | 71% | 0.71 | S | S | * | * | trans | 43.8 | 126.5 | 143.6 | -62.9 | 2.9 | 0 | 0 | 0 | 124.5 | ||||
| 510 | N | 28.8 | Very low | 30.5 | Very low | 136 Ų | 136 | 124.2 Ų | 124.2 | 73% | 0.727 | 71% | 0.714 | S | S | * | * | 25.6 | 133.4 | 112.8 | -43.1 | -9.4 | 0 | 0 | 0 | 120.3 | |||||
| 511 | D | 32.1 | Very low | 30.3 | Very low | 143 Ų | 143 | 124.5 Ų | 124.5 | 77% | 0.765 | 72% | 0.716 | S | S | * | * | -176.7 | 127.6 | 100.4 | -91.6 | -22.9 | 0 | 0 | 0 | 110.2 | |||||
| 512 | M | 29.5 | Very low | 30.1 | Very low | 182 Ų | 182 | 124.1 Ų | 124.1 | 90% | 0.897 | 71% | 0.714 | S | S | * | * | 67.9 | 139.6 | 100.4 | -84.3 | -66.7 | -173.7 | 0 | 0 | 117.5 | |||||
| 513 | A | 30.3 | Very low | 29.9 | Very low | 86 Ų | 86 | 127 Ų | 127 | 71% | 0.711 | 72% | 0.723 | S | S | * | * | trans | -83.9 | 164.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 514 | P | 32.5 | Very low | 29.7 | Very low | 120 Ų | 120 | 127.5 Ų | 127.5 | 78% | 0.779 | 72% | 0.722 | S | S | * | * | -127.1 | 163.5 | 76.7 | 7.8 | 16.4 | 0 | 0 | 0 | 113.3 | |||||
| 515 | L | 24.7 | Very low | 29.6 | Very low | 155 Ų | 155 | 125.6 Ų | 125.6 | 81% | 0.812 | 72% | 0.719 | S | S | * | * | 71.3 | 138.7 | 55.3 | -108.8 | 177.3 | 0 | 0 | 0 | 115.1 | |||||
| 516 | I | 26 | Very low | 29.4 | Very low | 141 Ų | 141 | 127.9 Ų | 127.9 | 72% | 0.723 | 72% | 0.724 | S | S | * | * | trans | 86.6 | 90.4 | 158.4 | -61.5 | 173.3 | 0 | 0 | 0 | 119.1 | ||||
| 517 | S | 25.1 | Very low | 29.3 | Very low | 96 Ų | 96 | 125.4 Ų | 125.4 | 67% | 0.671 | 72% | 0.718 | S | S | * | * | 92.4 | 146.6 | 111.5 | -71.7 | 0 | 0 | 0 | 0 | 126.1 | |||||
| 518 | I | 26.2 | Very low | 29.2 | Very low | 170 Ų | 170 | 126.5 Ų | 126.5 | 87% | 0.872 | 72% | 0.724 | S | S | * | * | trans | 80.2 | 141.9 | 141.9 | -73.3 | 158.4 | 0 | 0 | 0 | 119.3 | ||||
| 519 | G | 27.7 | Very low | 29 | Very low | 60 Ų | 60 | 124.1 Ų | 124.1 | 62% | 0.619 | 72% | 0.723 | S | S | * | * | trans | 105.3 | 101 | -175.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 520 | S | 27.1 | Very low | 28.9 | Very low | 109 Ų | 109 | 125.5 Ų | 125.5 | 76% | 0.762 | 73% | 0.73 | S | S | * | * | cis | 53.7 | 109.7 | 35.2 | -42.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 521 | T | 28.6 | Very low | 28.9 | Very low | 121 Ų | 121 | 123.8 Ų | 123.8 | 74% | 0.742 | 73% | 0.729 | S | S | * | * | -171.5 | 169.5 | 56.5 | 38.3 | 0 | 0 | 0 | 0 | 107.2 | |||||
| 522 | D | 29.4 | Very low | 28.8 | Very low | 125 Ų | 125 | 122.7 Ų | 122.7 | 67% | 0.668 | 72% | 0.723 | S | S | * | * | cis | -166.7 | 177.9 | -10.7 | -104.1 | -12.4 | 0 | 0 | 0 | 106.6 | ||||
| 523 | N | 31.5 | Very low | 28.8 | Very low | 136 Ų | 136 | 122.1 Ų | 122.1 | 73% | 0.727 | 72% | 0.716 | S | S | * | * | trans | 68.1 | 144.5 | 148.4 | -72.6 | -38.7 | 0 | 0 | 0 | 119.2 | ||||
| 524 | N | 29.3 | Very low | 28.7 | Very low | 128 Ų | 128 | 122.7 Ų | 122.7 | 68% | 0.684 | 71% | 0.714 | S | S | * | * | cis | -166.9 | 159 | -27.3 | -145.4 | -37.1 | 0 | 0 | 0 | 108 | ||||
| 525 | S | 30.9 | Very low | 28.4 | Very low | 95 Ų | 95 | 122.5 Ų | 122.5 | 66% | 0.664 | 72% | 0.716 | S | S | * | * | trans | 67.8 | 155.9 | 150.4 | 88 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 526 | N | 29.1 | Very low | 28.6 | Very low | 132 Ų | 132 | 119 Ų | 119 | 71% | 0.706 | 71% | 0.709 | S | S | * | * | cis | -161.9 | 160.7 | -14.2 | -121.7 | -11.1 | 0 | 0 | 0 | 112.6 | ||||
| 527 | I | 31.1 | Very low | 28.7 | Very low | 115 Ų | 115 | 119.9 Ų | 119.9 | 59% | 0.59 | 71% | 0.714 | S | S | * | * | trans | 60.3 | 103.4 | 139.1 | -66.2 | 167.4 | 0 | 0 | 0 | 119 | ||||
| 528 | N | 28.6 | Very low | 28.7 | Very low | 138 Ų | 138 | 120.4 Ų | 120.4 | 74% | 0.738 | 71% | 0.713 | S | S | * | * | 55.3 | 162.4 | 116.5 | -48.6 | -17.7 | 0 | 0 | 0 | 123.2 | |||||
| 529 | S | 30.1 | Very low | 28.7 | Very low | 93 Ų | 93 | 119.1 Ų | 119.1 | 65% | 0.65 | 71% | 0.706 | S | S | * | * | trans | 64.9 | 109.7 | 148 | 40.7 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 530 | N | 27.8 | Very low | 28.7 | Very low | 154 Ų | 154 | 122.5 Ų | 122.5 | 82% | 0.824 | 72% | 0.715 | S | S | * | * | 77.1 | 138.9 | 69 | -78 | -11.8 | 0 | 0 | 0 | 114.2 | |||||
| 531 | S | 29 | Very low | 28.7 | Very low | 100 Ų | 100 | 122.9 Ų | 122.9 | 70% | 0.699 | 71% | 0.713 | S | S | * | * | trans | 61 | 119.2 | 150.1 | 58.8 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 532 | D | 29.3 | Very low | 28.6 | Very low | 121 Ų | 121 | 123.2 Ų | 123.2 | 65% | 0.647 | 71% | 0.71 | S | S | * | * | 86.6 | 130 | 125.2 | -77 | 25.9 | 0 | 0 | 0 | 122 | |||||
| 533 | K | 29.9 | Very low | 28.5 | Very low | 170 Ų | 170 | 121.4 Ų | 121.4 | 74% | 0.739 | 70% | 0.701 | S | S | * | * | trans | 83.3 | 110.4 | 139.9 | -70.9 | 162.9 | -175 | 125.5 | 0 | 119.6 | ||||
| 534 | S | 28 | Very low | 28.3 | Very low | 98 Ų | 98 | 117.9 Ų | 117.9 | 69% | 0.685 | 68% | 0.682 | S | S | * | * | 76.7 | 130.3 | 124.9 | 65 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 535 | S | 27.8 | Very low | 28.5 | Very low | 115 Ų | 115 | 118.9 Ų | 118.9 | 80% | 0.804 | 69% | 0.687 | S | S | * | * | trans | 62.6 | 134.7 | 143.7 | 51.7 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 536 | A | 27.1 | Very low | 28.4 | Very low | 82 Ų | 82 | 123.7 Ų | 123.7 | 68% | 0.678 | 70% | 0.696 | S | S | * | * | cis | -164.7 | -168.2 | -7 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 537 | I | 28.2 | Very low | 28.4 | Very low | 160 Ų | 160 | 126.4 Ų | 126.4 | 82% | 0.821 | 70% | 0.704 | S | S | * | * | trans | 73.1 | 128.1 | 159.5 | -63 | 162 | 0 | 0 | 0 | 114.2 | ||||
| 538 | T | 25.9 | Very low | 28.2 | Very low | 106 Ų | 106 | 130.5 Ų | 130.5 | 65% | 0.65 | 72% | 0.718 | S | S | * | * | cis | -165.4 | 144.7 | -7.3 | -105.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 539 | I | 25.9 | Very low | 28.1 | Very low | 143 Ų | 143 | 129.2 Ų | 129.2 | 73% | 0.733 | 72% | 0.717 | S | S | * | * | trans | 30.8 | 119.9 | 147.5 | -50.1 | 173.2 | 0 | 0 | 0 | 116.6 | ||||
| 540 | T | 28.9 | Very low | 27.9 | Very low | 132 Ų | 132 | 130.2 Ų | 130.2 | 81% | 0.81 | 72% | 0.724 | S | S | * | * | -159.9 | 156.8 | 66.7 | -33.2 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 541 | T | 25.8 | Very low | 28 | Very low | 116 Ų | 116 | 133.2 Ų | 133.2 | 71% | 0.712 | 72% | 0.724 | S | S | * | * | trans | -94.9 | 144.9 | -178.5 | 49.3 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 542 | N | 27.9 | Very low | 27.9 | Very low | 129 Ų | 129 | 133.8 Ų | 133.8 | 69% | 0.69 | 73% | 0.726 | S | S | * | * | -178.7 | 113.8 | 119.6 | -94 | -10.8 | 0 | 0 | 0 | 115.9 | |||||
| 543 | N | 27 | Very low | 27.8 | Very low | 87 Ų | 87 | 133.6 Ų | 133.6 | 47% | 0.465 | 73% | 0.732 | S | S | . | * | trans | 60 | 146.4 | 135.4 | -64 | -5.5 | 0 | 0 | 0 | 124 | R359 N361 | R359-N543 PolarHBondContact NH1-O 3.38Å; N361-N543 PolarHBondContact ND2-ND2 3.39Å; N361-N543 VanDerWaalsContact ND2-ND2 3.13Å | ||
| 544 | N | 26.8 | Very low | 28 | Very low | 61 Ų | 61 | 128.7 Ų | 128.7 | 33% | 0.326 | 72% | 0.718 | S | S | . | * | trans | 71.8 | 89.5 | 169.9 | -61 | -51.2 | 0 | 0 | 0 | 117.4 | R359 N361 | R359-N544 PolarHBondContact NH1-O 3.42Å; R359-N544 PolarHBondContact NH2-O 2.96Å; N361-N544 PolarHBondContact OD1-ND2 2.59Å | ||
| 545 | D | 33.4 | Very low | 28.6 | Very low | 149 Ų | 149 | 127.4 Ų | 127.4 | 80% | 0.797 | 71% | 0.707 | S | S | * | * | -141 | 106.5 | 124.1 | -84.6 | -37 | 0 | 0 | 0 | 108.9 | R359 | R359-D545 IonicContact NH2-OD1 2.76Å; R359-D545 PolarHBondContact NH2-OD1 3.11Å; R359-D545 VanDerWaalsContact NH2-OD1 3.15Å | |||
| 546 | K | 29.5 | Very low | 29.7 | Very low | 196 Ų | 196 | 125.8 Ų | 125.8 | 85% | 0.852 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -85 | 117.2 | 177 | -77.2 | -170.6 | 176.5 | -178.9 | 0 | 109.7 | ||
| 547 | Q | 28.8 | Very low | 31.1 | Very low | 189 Ų | 189 | 123.5 Ų | 123.5 | 88% | 0.883 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 141.6 | 165.3 | -68.4 | 179.6 | -6.8 | 0 | 0 | 109.9 | ||
| 548 | K | 26.7 | Very low | 31.9 | Very low | 201 Ų | 201 | 123.6 Ų | 123.6 | 87% | 0.874 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 117.5 | -170.2 | -166.6 | 175.4 | -171.5 | 173 | 0 | 109 | ||
| 549 | P | 26.6 | Very low | 32.6 | Very low | 112 Ų | 112 | 121.8 Ų | 121.8 | 73% | 0.727 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 147.5 | -179.7 | 25.9 | -34.1 | 0 | 0 | 0 | 110.6 | R551 | P549-R551 PolarHBondContact O-N 3.16Š|
| 550 | S | 26.1 | Very low | 32.7 | Very low | 113 Ų | 113 | 121.1 Ų | 121.1 | 79% | 0.79 | 64% | 0.638 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 135.9 | 161.6 | 37.7 | 0 | 0 | 0 | 0 | 108.6 | ||
| 551 | R | 28.6 | Very low | 32.6 | Very low | 217 Ų | 217 | 119.8 Ų | 119.8 | 82% | 0.819 | 63% | 0.632 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 128.6 | 174.2 | -87.3 | -172.6 | 167.8 | -168.8 | -4.3 | 108.1 | P549 | P549-R551 PolarHBondContact O-N 3.16Š|
| 552 | P | 27.7 | Very low | 32.6 | Very low | 113 Ų | 113 | 117.8 Ų | 117.8 | 73% | 0.734 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 159.4 | 160.1 | 29.8 | -34.4 | 0 | 0 | 0 | 109.1 | ||
| 553 | C | 27 | Very low | 32.6 | Very low | 116 Ų | 116 | 122.5 Ų | 122.5 | 78% | 0.784 | 63% | 0.631 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 148.7 | 167.8 | -65 | 0 | 0 | 0 | 0 | 110.1 | ||
| 554 | P | 34.2 | Very low | 32.6 | Very low | 68 Ų | 68 | 126.7 Ų | 126.7 | 44% | 0.442 | 65% | 0.652 | S | S | . | * | P | Polyproline II helix | trans | -56.7 | 136.3 | 173.2 | -17.7 | 30 | 0 | 0 | 0 | 109.4 | I556 L907 | P554-I556 PolarHBondContact O-N 2.98Å; P554-L907 HydrophobicContact CB-CB 4.2Å |
| 555 | P | 41.1 | Very low | 32.6 | Very low | 70 Ų | 70 | 127.9 Ų | 127.9 | 46% | 0.455 | 67% | 0.665 | S | S | . | * | P | Polyproline II helix | trans | -59.5 | 123 | 171 | 25.5 | -34.2 | 0 | 0 | 0 | 109.2 | L907 | P555-L907 HydrophobicContact CG-CD2 3.88Š|
| 556 | I | 49.9 | Very low | 32.2 | Very low | 82 Ų | 82 | 127.5 Ų | 127.5 | 42% | 0.421 | 66% | 0.663 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -98.1 | 115.1 | 168.5 | -58.1 | 173.8 | 0 | 0 | 0 | 105.6 | P554 R558 T904 | P554-I556 PolarHBondContact O-N 2.98Å; I556-R558 HydrophobicContact CG2-CG 3.81Å; I556-R558 PolarHBondContact O-N 3.01Å; I556-T904 HydrophobicContact CG2-CG2 3.96Å |
| 557 | I | 57.2 | Low | 32 | Very low | 33 Ų | 33 | 126.1 Ų | 126.1 | 17% | 0.169 | 66% | 0.663 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -87 | 101.7 | 174.4 | -64.5 | 170.7 | 0 | 0 | 0 | 106.4 | F861 P865 L866 Y893 T904 L905 | I557-F861 HydrophobicContact CG2-CZ 4.11Å; I557-P865 HydrophobicContact CD1-CG 4.3Å; I557-P865 HydrophobicContact CG2-CG 4.13Å; I557-L866 HydrophobicContact CD1-CD1 3.85Å; I557-L866 HydrophobicContact CD1-CD2 3.62Å; I557-L866 HydrophobicContact CD1-CG 3.69Å; I557-Y893 HydrophobicContact CD1-CE1 3.95Å; I557-Y893 HydrophobicContact CG1-CE1 4.49Å; I557-T904 WeakPolarHBondContact O-CA 3.11Å; I557-L905 HydrophobicContact CB-CB 4.41Å; I557-L905 PolarHBondContact N-O 3.24Å; I557-L905 PolarHBondContact O-N 2.83Å |
| 558 | R | 46 | Very low | 31.9 | Very low | 162 Ų | 162 | 123.5 Ų | 123.5 | 61% | 0.611 | 66% | 0.656 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -89.6 | 145.7 | 175.1 | -60.1 | -168.5 | 158.6 | 172.8 | -9.4 | 109.7 | I556 N560 T904 | I556-R558 HydrophobicContact CG2-CG 3.81Å; I556-R558 PolarHBondContact O-N 3.01Å; R558-N560 PolarHBondContact O-N 3.46Å; R558-T904 HydrophobicContact CB-CG2 4.33Å; R558-T904 HydrophobicContact CG-CG2 3.78Å |
| 559 | L | 38.6 | Very low | 31.9 | Very low | 69 Ų | 69 | 119.7 Ų | 119.7 | 36% | 0.361 | 65% | 0.654 | S | S | . | * | trans | -53 | 135.8 | 154 | -71.2 | 170 | 0 | 0 | 0 | 108.8 | P561 F861 E862 G903 | L559-P561 VanDerWaalsContact O-CD 3.26Å; L559-P561 WeakPolarHBondContact O-CD 3.42Å; L559-F861 HydrophobicContact CD2-CE1 4.29Å; L559-F861 HydrophobicContact CD2-CZ 4.38Å; L559-F861 HydrophobicContact CG-CZ 4.46Å; L559-E862 HydrophobicContact CD2-CB 3.81Å; L559-E862 VanDerWaalsContact CD2-O 3.26Å; L559-E862 WeakPolarHBondContact CD2-O 3.4Å; L559-G903 WeakPolarHBondContact CG-O 3.21Å | ||
| 560 | N | 28.7 | Very low | 32 | Very low | 128 Ų | 128 | 119.3 Ų | 119.3 | 68% | 0.684 | 65% | 0.65 | S | S | * | * | trans | -84.3 | 109.6 | 176.1 | -168.1 | 17.1 | 0 | 0 | 0 | 108.3 | R558 S562 | R558-N560 PolarHBondContact O-N 3.46Å; N560-S562 PolarHBondContact ND2-OG 2.94Å; N560-S562 PolarHBondContact O-N 3.21Å; N560-S562 PolarHBondContact OD1-OG 2.67Å | ||
| 561 | P | 26.3 | Very low | 32.1 | Very low | 104 Ų | 104 | 120.8 Ų | 120.8 | 68% | 0.675 | 65% | 0.649 | S | S | * | * | trans | -66.2 | -18.7 | -168.8 | -21.4 | 34.8 | 0 | 0 | 0 | 113.6 | L559 R563 L564 | L559-P561 VanDerWaalsContact O-CD 3.26Å; L559-P561 WeakPolarHBondContact O-CD 3.42Å; P561-R563 PolarHBondContact O-N 3.01Å; P561-L564 PolarHBondContact O-N 2.92Å | ||
| 562 | S | 27.3 | Very low | 32.1 | Very low | 74 Ų | 74 | 119.3 Ų | 119.3 | 52% | 0.517 | 65% | 0.651 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75.8 | 62.7 | -179.5 | 65.1 | 0 | 0 | 0 | 0 | 113.1 | N560 | N560-S562 PolarHBondContact ND2-OG 2.94Å; N560-S562 PolarHBondContact O-N 3.21Å; N560-S562 PolarHBondContact OD1-OG 2.67Å |
| 563 | R | 28.2 | Very low | 32.2 | Very low | 229 Ų | 229 | 120.7 Ų | 120.7 | 86% | 0.864 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -152.5 | -20.3 | 154.2 | -112.5 | 172.9 | -167.8 | -156.7 | -0.4 | 113.8 | P561 S565 | P561-R563 PolarHBondContact O-N 3.01Å; R563-S565 PolarHBondContact O-N 3.23Å |
| 564 | L | 26.8 | Very low | 32.3 | Very low | 175 Ų | 175 | 119.3 Ų | 119.3 | 92% | 0.916 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.5 | 46.7 | 159.4 | -78.8 | 158.4 | 0 | 0 | 0 | 111.3 | P561 | P561-L564 PolarHBondContact O-N 2.92Š|
| 565 | S | 25.1 | Very low | 32 | Very low | 85 Ų | 85 | 124.9 Ų | 124.9 | 59% | 0.594 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -177 | 49 | -179.4 | 33.8 | 0 | 0 | 0 | 0 | 111.3 | R563 | R563-S565 PolarHBondContact O-N 3.23Š|
| 566 | N | 25.2 | Very low | 31.5 | Very low | 141 Ų | 141 | 130.3 Ų | 130.3 | 75% | 0.754 | 68% | 0.682 | S | S | * | * | trans | -158.5 | 49.6 | 161.9 | -109.8 | -6.2 | 0 | 0 | 0 | 113.6 | ||||
| 567 | I | 25.6 | Very low | 30.6 | Very low | 167 Ų | 167 | 130.6 Ų | 130.6 | 86% | 0.856 | 69% | 0.688 | S | S | * | * | trans | -97 | 90.6 | 138.6 | -66.8 | 170.5 | 0 | 0 | 0 | 104.4 | ||||
| 568 | N | 26.4 | Very low | 29.3 | Very low | 135 Ų | 135 | 135 Ų | 135 | 72% | 0.722 | 71% | 0.712 | S | S | * | * | trans | -172.2 | 68.9 | 166.7 | -100.7 | -28 | 0 | 0 | 0 | 109.6 | V570 | N568-V570 VanDerWaalsContact O-CG2 3.3Å; N568-V570 WeakPolarHBondContact O-CG2 3.4Å | ||
| 569 | S | 27 | Very low | 28.5 | Very low | 121 Ų | 121 | 131.4 Ų | 131.4 | 85% | 0.846 | 71% | 0.71 | S | S | * | * | trans | -121.1 | 89.9 | 154.2 | 51.5 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 570 | V | 29.5 | Very low | 27.9 | Very low | 104 Ų | 104 | 136.9 Ų | 136.9 | 63% | 0.63 | 74% | 0.739 | S | S | * | * | 75.3 | 98.2 | 58.2 | -177.6 | 0 | 0 | 0 | 0 | 112 | N568 | N568-V570 VanDerWaalsContact O-CG2 3.3Å; N568-V570 WeakPolarHBondContact O-CG2 3.4Å | |||
| 571 | N | 27.7 | Very low | 28 | Very low | 144 Ų | 144 | 136.2 Ų | 136.2 | 77% | 0.77 | 74% | 0.74 | S | S | * | * | trans | 68.5 | 94.9 | 151 | -57.2 | 2.9 | 0 | 0 | 0 | 119.5 | ||||
| 572 | E | 28.3 | Very low | 28 | Very low | 186 Ų | 186 | 140.4 Ų | 140.4 | 87% | 0.869 | 75% | 0.75 | S | S | * | * | trans | 172 | 136.8 | 133.7 | -92.6 | 168.5 | -153.3 | 0 | 0 | 106.1 | ||||
| 573 | I | 29.9 | Very low | 28.1 | Very low | 141 Ų | 141 | 144.5 Ų | 144.5 | 72% | 0.723 | 77% | 0.767 | S | S | * | * | cis | -154.1 | 168.9 | -2.7 | -121.6 | 162.2 | 0 | 0 | 0 | 108.5 | ||||
| 574 | S | 29.3 | Very low | 28.2 | Very low | 88 Ų | 88 | 142.7 Ų | 142.7 | 62% | 0.615 | 77% | 0.767 | S | S | * | * | trans | 13.1 | 117.9 | 169.8 | 60.6 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 575 | E | 29 | Very low | 28.3 | Very low | 185 Ų | 185 | 139.9 Ų | 139.9 | 86% | 0.864 | 75% | 0.753 | S | S | * | * | 84.1 | 159.6 | 70.1 | -76.3 | 179.5 | 153.7 | 0 | 0 | 114.7 | |||||
| 576 | E | 28.8 | Very low | 28.5 | Very low | 183 Ų | 183 | 144 Ų | 144 | 86% | 0.855 | 76% | 0.761 | S | S | * | * | trans | 71.9 | 148.7 | -170.5 | -60.6 | 172.6 | 152.5 | 0 | 0 | 114.4 | ||||
| 577 | T | 31.5 | Very low | 28.9 | Very low | 89 Ų | 89 | 140.9 Ų | 140.9 | 55% | 0.546 | 75% | 0.754 | S | S | . | * | trans | -159 | 146.8 | -140.5 | 47.5 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 578 | D | 30.6 | Very low | 29.2 | Very low | 126 Ų | 126 | 139.5 Ų | 139.5 | 67% | 0.674 | 75% | 0.748 | S | S | * | * | trans | 68.5 | 157.9 | 146.7 | -78.6 | -51.3 | 0 | 0 | 0 | 119.4 | ||||
| 579 | C | 28.5 | Very low | 29.5 | Very low | 86 Ų | 86 | 141.7 Ų | 141.7 | 58% | 0.581 | 75% | 0.746 | S | S | * | * | cis | -153.8 | 132.2 | 0.4 | -138.7 | 0 | 0 | 0 | 0 | 114 | ||||
| 580 | L | 26.9 | Very low | 29.7 | Very low | 183 Ų | 183 | 140.6 Ų | 140.6 | 96% | 0.958 | 73% | 0.731 | S | S | * | * | trans | -144.7 | 98.8 | 161.1 | -90.7 | 179.1 | 0 | 0 | 0 | 111 | ||||
| 581 | T | 29.7 | Very low | 29.9 | Very low | 115 Ų | 115 | 142.2 Ų | 142.2 | 71% | 0.706 | 74% | 0.735 | S | S | * | * | trans | -121.1 | 113.9 | -165.9 | 56.9 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 582 | E | 26.4 | Very low | 30.3 | Very low | 191 Ų | 191 | 144.4 Ų | 144.4 | 89% | 0.893 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -162.8 | 37.9 | 138.5 | -125.9 | -178.4 | -157 | 0 | 0 | 115.1 | ||
| 583 | N | 30.7 | Very low | 30.7 | Very low | 161 Ų | 161 | 139.9 Ų | 139.9 | 86% | 0.861 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -128.8 | -5.2 | 176.6 | -87.7 | -57.4 | 0 | 0 | 0 | 116.6 | ||
| 584 | H | 29.8 | Very low | 31.1 | Very low | 190 Ų | 190 | 136 Ų | 136 | 88% | 0.88 | 71% | 0.706 | S | S | * | * | trans | -115.9 | 93.6 | 178.6 | -78 | -91.2 | 0 | 0 | 0 | 112.1 | ||||
| 585 | L | 28.4 | Very low | 31.6 | Very low | 117 Ų | 117 | 136.4 Ų | 136.4 | 61% | 0.613 | 71% | 0.709 | S | S | * | * | trans | -150.6 | 1.5 | 172.7 | -119.5 | 159.2 | 0 | 0 | 0 | 115.6 | ||||
| 586 | F | 30.1 | Very low | 32.1 | Very low | 172 Ų | 172 | 131.3 Ų | 131.3 | 75% | 0.754 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -103 | -10 | -175.8 | -105.1 | -87 | 0 | 0 | 0 | 115.7 | L590 | F586-L590 WeakPolarHBondContact O-CD1 3.34Š|
| 587 | A | 32.1 | Very low | 33 | Very low | 75 Ų | 75 | 127.1 Ų | 127.1 | 62% | 0.62 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -82 | -62.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | R589 L590 | A587-R589 PolarHBondContact O-N 3.35Å; A587-L590 PolarHBondContact O-N 3.02Å |
| 588 | D | 32.4 | Very low | 33.5 | Very low | 137 Ų | 137 | 126 Ų | 126 | 73% | 0.733 | 66% | 0.66 | S | S | * | * | G | 310 helix | trans | -80.3 | -13.2 | -169.6 | -71.5 | -60.8 | 0 | 0 | 0 | 115.8 | L590 | D588-L590 VanDerWaalsContact C-N 3.3Å; D588-L590 PolarHBondContact O-N 2.98Å |
| 589 | R | 32.7 | Very low | 34 | Very low | 181 Ų | 181 | 122.7 Ų | 122.7 | 68% | 0.683 | 64% | 0.641 | S | S | * | * | G | 310 helix | trans | -78.5 | -10.9 | 174.1 | -76.4 | -170.2 | 172.5 | -174.8 | 0.8 | 114.1 | A587 L591 I593 | A587-R589 PolarHBondContact O-N 3.35Å; R589-L591 VanDerWaalsContact C-N 3.27Å; R589-L591 PolarHBondContact O-N 3.34Å; R589-I593 WeakPolarHBondContact O-CD1 3.49Å; R589-I593 WeakPolarHBondContact O-CG1 3.47Å |
| 590 | L | 32.4 | Very low | 35.1 | Very low | 99 Ų | 99 | 122 Ų | 122 | 52% | 0.518 | 64% | 0.637 | S | S | . | * | G | 310 helix | trans | -76.5 | -8.5 | 178.8 | -74.4 | 171.3 | 0 | 0 | 0 | 114.3 | F586 A587 D588 H592 | F586-L590 WeakPolarHBondContact O-CD1 3.34Å; A587-L590 PolarHBondContact O-N 3.02Å; D588-L590 VanDerWaalsContact C-N 3.3Å; D588-L590 PolarHBondContact O-N 2.98Å; L590-H592 VanDerWaalsContact C-N 3.28Å; L590-H592 PolarHBondContact O-N 2.83Å |
| 591 | L | 33.1 | Very low | 36.2 | Very low | 137 Ų | 137 | 119.5 Ų | 119.5 | 72% | 0.717 | 62% | 0.621 | S | S | * | * | G | 310 helix | trans | -76.2 | -6.5 | 178.6 | -70 | 172 | 0 | 0 | 0 | 114.7 | R589 | R589-L591 VanDerWaalsContact C-N 3.27Å; R589-L591 PolarHBondContact O-N 3.34Å |
| 592 | H | 35.1 | Very low | 36.8 | Very low | 190 Ų | 190 | 117.3 Ų | 117.3 | 88% | 0.88 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -136.6 | 10.1 | -178.9 | -80.7 | -41.6 | 0 | 0 | 0 | 116.3 | L590 | L590-H592 VanDerWaalsContact C-N 3.28Å; L590-H592 PolarHBondContact O-N 2.83Å |
| 593 | I | 37.7 | Very low | 37.7 | Very low | 92 Ų | 92 | 110 Ų | 110 | 47% | 0.472 | 57% | 0.574 | S | S | . | * | trans | -94.2 | 139.6 | 179.1 | -64.6 | 172.7 | 0 | 0 | 0 | 110.7 | R589 D597 | R589-I593 WeakPolarHBondContact O-CD1 3.49Å; R589-I593 WeakPolarHBondContact O-CG1 3.47Å; I593-D597 HydrophobicContact CG2-CB 3.88Å | ||
| 594 | S | 39 | Very low | 38.6 | Very low | 59 Ų | 59 | 105 Ų | 105 | 41% | 0.413 | 55% | 0.547 | S | S | . | . | trans | -79.1 | 156.3 | -177.8 | 92.2 | 0 | 0 | 0 | 0 | 112.3 | E596 D597 | S594-E596 PolarHBondContact O-N 2.97Å; S594-E596 VanDerWaalsContact O-N 3.16Å; S594-E596 PolarHBondContact OG-N 2.76Å; S594-D597 WeakPolarHBondContact CB-OD2 3.37Å; S594-D597 PolarHBondContact N-OD2 3.35Å; S594-D597 PolarHBondContact O-N 3.04Å; S594-D597 PolarHBondContact OG-OD2 3.02Å | ||
| 595 | S | 38.5 | Very low | 39.3 | Very low | 97 Ų | 97 | 98.3 Ų | 98.3 | 68% | 0.678 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -7.8 | 175.2 | 54.9 | 0 | 0 | 0 | 0 | 114.4 | L599 | S595-L599 WeakPolarHBondContact O-CB 3.44Š|
| 596 | E | 40 | Very low | 39.8 | Very low | 78 Ų | 78 | 98 Ų | 98 | 36% | 0.364 | 52% | 0.518 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -32.1 | 171.5 | -60 | -152.7 | 136.9 | 0 | 0 | 112.4 | N89 K91 S594 S600 | N89-E596 PolarHBondContact ND2-OE2 3.47Å; K91-E596 IonicContact NZ-OE1 3.76Å; K91-E596 PolarHBondContact NZ-OE1 3.18Å; S594-E596 PolarHBondContact O-N 2.97Å; S594-E596 VanDerWaalsContact O-N 3.16Å; S594-E596 PolarHBondContact OG-N 2.76Å; E596-S600 PolarHBondContact O-N 2.85Å; E596-S600 VanDerWaalsContact O-N 3.09Å |
| 597 | D | 47.5 | Very low | 40.6 | Very low | 94 Ų | 94 | 91.5 Ų | 91.5 | 50% | 0.503 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -77.9 | -50.5 | -169.5 | -58.2 | -67.1 | 0 | 0 | 0 | 112 | I593 S594 L599 S600 E601 | I593-D597 HydrophobicContact CG2-CB 3.88Å; S594-D597 WeakPolarHBondContact CB-OD2 3.37Å; S594-D597 PolarHBondContact N-OD2 3.35Å; S594-D597 PolarHBondContact O-N 3.04Å; S594-D597 PolarHBondContact OG-OD2 3.02Å; D597-L599 PolarHBondContact O-N 3.41Å; D597-S600 WeakPolarHBondContact O-CA 3.19Å; D597-S600 WeakPolarHBondContact O-CB 3.48Å; D597-S600 PolarHBondContact O-N 3.11Å; D597-E601 PolarHBondContact O-N 2.72Å; D597-E601 VanDerWaalsContact O-N 3.09Å |
| 598 | L | 41.2 | Very low | 41.2 | Very low | 67 Ų | 67 | 95 Ų | 95 | 35% | 0.351 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -56.9 | -37.3 | 173.7 | -168.6 | 76.2 | 0 | 0 | 0 | 111.3 | S600 E601 V602 | L598-S600 VanDerWaalsContact C-N 3.33Å; L598-E601 PolarHBondContact O-N 3.4Å; L598-V602 WeakPolarHBondContact O-CG2 3.31Å; L598-V602 PolarHBondContact O-N 3.28Å |
| 599 | L | 41.1 | Very low | 41.2 | Very low | 55 Ų | 55 | 98.5 Ų | 98.5 | 29% | 0.288 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -68.7 | -31.7 | 176.5 | -167.7 | 72 | 0 | 0 | 0 | 112 | S595 D597 M603 | S595-L599 WeakPolarHBondContact O-CB 3.44Å; D597-L599 PolarHBondContact O-N 3.41Å; L599-M603 VanDerWaalsContact O-CB 3.25Å; L599-M603 WeakPolarHBondContact O-CB 3.2Å; L599-M603 WeakPolarHBondContact O-CG 3.37Å; L599-M603 PolarHBondContact O-N 3.04Å; L599-M603 VanDerWaalsContact O-N 3.11Å |
| 600 | S | 51.8 | Low | 41.3 | Very low | 71 Ų | 71 | 96.3 Ų | 96.3 | 50% | 0.497 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -69.7 | -39.3 | 174.2 | -167.5 | 0 | 0 | 0 | 0 | 111.8 | E596 D597 L598 M603 D604 | E596-S600 PolarHBondContact O-N 2.85Å; E596-S600 VanDerWaalsContact O-N 3.09Å; D597-S600 WeakPolarHBondContact O-CA 3.19Å; D597-S600 WeakPolarHBondContact O-CB 3.48Å; D597-S600 PolarHBondContact O-N 3.11Å; L598-S600 VanDerWaalsContact C-N 3.33Å; S600-M603 PolarHBondContact O-N 2.63Å; S600-D604 WeakPolarHBondContact O-CB 3.4Å; S600-D604 PolarHBondContact O-N 3.34Å |
| 601 | E | 49.6 | Very low | 41.5 | Very low | 132 Ų | 132 | 96.4 Ų | 96.4 | 62% | 0.617 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -70 | -44.4 | -179 | -165.5 | 162.3 | -125.5 | 0 | 0 | 111.7 | D597 L598 M603 D604 A605 | D597-E601 PolarHBondContact O-N 2.72Å; D597-E601 VanDerWaalsContact O-N 3.09Å; L598-E601 PolarHBondContact O-N 3.4Å; E601-M603 PolarHBondContact O-N 2.8Å; E601-D604 PolarHBondContact O-N 3.08Å; E601-A605 PolarHBondContact O-N 3.13Å; E601-A605 VanDerWaalsContact O-N 3.11Å |
| 602 | V | 43.5 | Very low | 41.5 | Very low | 68 Ų | 68 | 93.3 Ų | 93.3 | 41% | 0.412 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.4 | -41.5 | 172.5 | 171.7 | 0 | 0 | 0 | 0 | 111.8 | L598 F606 | L598-V602 WeakPolarHBondContact O-CG2 3.31Å; L598-V602 PolarHBondContact O-N 3.28Å; V602-F606 PolarHBondContact O-N 2.84Å; V602-F606 VanDerWaalsContact O-N 3.07Å |
| 603 | M | 44.2 | Very low | 41.5 | Very low | 39 Ų | 39 | 91.1 Ų | 91.1 | 19% | 0.192 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -70.1 | -38.5 | 179.2 | -73.7 | -70.1 | -56.6 | 0 | 0 | 112.9 | L599 S600 E601 A605 F606 E607 | L599-M603 VanDerWaalsContact O-CB 3.25Å; L599-M603 WeakPolarHBondContact O-CB 3.2Å; L599-M603 WeakPolarHBondContact O-CG 3.37Å; L599-M603 PolarHBondContact O-N 3.04Å; L599-M603 VanDerWaalsContact O-N 3.11Å; S600-M603 PolarHBondContact O-N 2.63Å; E601-M603 PolarHBondContact O-N 2.8Å; M603-A605 VanDerWaalsContact C-N 3.34Å; M603-F606 CarbonylContact O-C 3.57Å; M603-F606 WeakPolarHBondContact O-CA 3.26Å; M603-F606 WeakPolarHBondContact O-CB 3.29Å; M603-F606 PolarHBondContact O-N 2.97Å; M603-F606 VanDerWaalsContact O-N 3.08Å; M603-E607 PolarHBondContact O-N 3.47Å |
| 604 | D | 50.9 | Low | 41.2 | Very low | 56 Ų | 56 | 93.8 Ų | 93.8 | 30% | 0.299 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.6 | -35.4 | 177.8 | -168.3 | 70.2 | 0 | 0 | 0 | 111.7 | S600 E601 F606 E607 K608 | S600-D604 WeakPolarHBondContact O-CB 3.4Å; S600-D604 PolarHBondContact O-N 3.34Å; E601-D604 PolarHBondContact O-N 3.08Å; D604-F606 VanDerWaalsContact C-N 3.31Å; D604-F606 PolarHBondContact O-N 3.04Å; D604-E607 PolarHBondContact O-N 3.07Å; D604-K608 WeakPolarHBondContact O-CG 3.28Å; D604-K608 PolarHBondContact O-N 2.79Å; D604-K608 WeakPolarHBondContact OD2-CE 3.38Å; D604-K608 IonicContact OD2-NZ 2.8Å; D604-K608 PolarHBondContact OD2-NZ 2.94Å |
| 605 | A | 44.3 | Very low | 40.8 | Very low | 49 Ų | 49 | 101 Ų | 101 | 41% | 0.405 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.3 | -31 | 168.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | E601 M603 | E601-A605 PolarHBondContact O-N 3.13Å; E601-A605 VanDerWaalsContact O-N 3.11Å; M603-A605 VanDerWaalsContact C-N 3.34Å |
| 606 | F | 38.7 | Very low | 40.4 | Very low | 109 Ų | 109 | 104.8 Ų | 104.8 | 48% | 0.478 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -75.5 | -38.7 | 175.7 | -141.2 | -84.8 | 0 | 0 | 0 | 112.3 | V602 M603 D604 R609 | V602-F606 PolarHBondContact O-N 2.84Å; V602-F606 VanDerWaalsContact O-N 3.07Å; M603-F606 CarbonylContact O-C 3.57Å; M603-F606 WeakPolarHBondContact O-CA 3.26Å; M603-F606 WeakPolarHBondContact O-CB 3.29Å; M603-F606 PolarHBondContact O-N 2.97Å; M603-F606 VanDerWaalsContact O-N 3.08Å; D604-F606 VanDerWaalsContact C-N 3.31Å; D604-F606 PolarHBondContact O-N 3.04Å; F606-R609 PolarHBondContact O-N 2.88Å |
| 607 | E | 45.8 | Very low | 39.9 | Very low | 36 Ų | 36 | 106.9 Ų | 106.9 | 17% | 0.168 | 55% | 0.553 | C | S | . | * | H | α-helix | trans | -63.6 | -47.7 | 178 | -116.5 | 72.2 | -67.7 | 0 | 0 | 111.6 | L57 K58 M603 D604 R609 R610 | L57-E607 HydrophobicContact CB-CG 4.24Å; L57-E607 HydrophobicContact CD1-CG 4.15Å; K58-E607 WeakPolarHBondContact CE-OE1 3.14Å; K58-E607 VanDerWaalsContact NZ-CD 3.27Å; K58-E607 IonicContact NZ-OE1 3.58Å; K58-E607 PolarHBondContact NZ-OE1 2.93Å; K58-E607 IonicContact NZ-OE2 2.73Å; K58-E607 PolarHBondContact NZ-OE2 3.14Å; M603-E607 PolarHBondContact O-N 3.47Å; D604-E607 PolarHBondContact O-N 3.07Å; E607-R609 PolarHBondContact O-N 3.25Å; E607-R609 VanDerWaalsContact O-N 3.13Å; E607-R610 WeakPolarHBondContact O-CB 3.31Å; E607-R610 PolarHBondContact O-N 2.87Å |
| 608 | K | 45.4 | Very low | 39.1 | Very low | 148 Ų | 148 | 108.2 Ų | 108.2 | 64% | 0.643 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.1 | -19.3 | -177.9 | -76.7 | 166.7 | 175.5 | 163 | 0 | 114.4 | D604 | D604-K608 WeakPolarHBondContact O-CG 3.28Å; D604-K608 PolarHBondContact O-N 2.79Å; D604-K608 WeakPolarHBondContact OD2-CE 3.38Å; D604-K608 IonicContact OD2-NZ 2.8Å; D604-K608 PolarHBondContact OD2-NZ 2.94Å |
| 609 | R | 32.9 | Very low | 38.4 | Very low | 211 Ų | 211 | 113.9 Ų | 113.9 | 80% | 0.796 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.1 | -7.5 | 177 | -69.6 | 177.5 | 177.3 | 167.3 | 1.1 | 113.9 | F606 E607 | F606-R609 PolarHBondContact O-N 2.88Å; E607-R609 PolarHBondContact O-N 3.25Å; E607-R609 VanDerWaalsContact O-N 3.13Å |
| 610 | R | 35.2 | Very low | 37.7 | Very low | 135 Ų | 135 | 115.9 Ų | 115.9 | 51% | 0.509 | 61% | 0.613 | S | S | . | * | S | Bend | trans | -94.4 | 5.4 | -166 | -156.5 | 172.4 | 177 | 124.7 | -0.7 | 115.3 | E607 | E607-R610 WeakPolarHBondContact O-CB 3.31Å; E607-R610 PolarHBondContact O-N 2.87Å |
| 611 | S | 36.4 | Very low | 36.7 | Very low | 101 Ų | 101 | 119.2 Ų | 119.2 | 71% | 0.706 | 62% | 0.624 | S | S | * | * | trans | -117.7 | 20.9 | -169.2 | 59.5 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 612 | G | 33.5 | Very low | 35.7 | Very low | 73 Ų | 73 | 120.1 Ų | 120.1 | 75% | 0.753 | 63% | 0.633 | S | S | * | * | trans | -76.8 | 144.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 613 | V | 34.4 | Very low | 35 | Very low | 144 Ų | 144 | 120 Ų | 120 | 87% | 0.873 | 65% | 0.645 | S | S | * | * | trans | -131 | 123.5 | 167.1 | 177.4 | 0 | 0 | 0 | 0 | 108 | ||||
| 614 | D | 30.8 | Very low | 34.2 | Very low | 148 Ų | 148 | 127.8 Ų | 127.8 | 79% | 0.791 | 68% | 0.678 | S | S | * | * | trans | -82.3 | 154.4 | -179.6 | -73 | -47.8 | 0 | 0 | 0 | 112.9 | ||||
| 615 | F | 31.7 | Very low | 33.2 | Very low | 210 Ų | 210 | 132.3 Ų | 132.3 | 92% | 0.921 | 70% | 0.703 | S | S | * | * | trans | -150.7 | 175.5 | 132.1 | -114.8 | -76.6 | 0 | 0 | 0 | 110.9 | ||||
| 616 | R | 29.4 | Very low | 32.3 | Very low | 176 Ų | 176 | 135 Ų | 135 | 66% | 0.664 | 71% | 0.714 | S | S | * | * | trans | -139.9 | 134.9 | -134.3 | -144.6 | -178 | -179.7 | -167.8 | -4 | 114.7 | ||||
| 617 | T | 28.8 | Very low | 31.7 | Very low | 123 Ų | 123 | 134.5 Ų | 134.5 | 76% | 0.755 | 72% | 0.724 | S | S | * | * | trans | 41.6 | 126.7 | 148.2 | 52.6 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 618 | S | 31.5 | Very low | 30.8 | Very low | 121 Ų | 121 | 142.7 Ų | 142.7 | 85% | 0.846 | 75% | 0.753 | S | S | * | * | -164.5 | 156.2 | 115.4 | 53 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 619 | Q | 26.8 | Very low | 30 | Very low | 187 Ų | 187 | 142.2 Ų | 142.2 | 87% | 0.874 | 76% | 0.755 | S | S | * | * | trans | -86.5 | 173.4 | 160.4 | -56.1 | 164.1 | -45.5 | 0 | 0 | 107.3 | ||||
| 620 | S | 27 | Very low | 29.8 | Very low | 96 Ų | 96 | 137.8 Ų | 137.8 | 67% | 0.671 | 75% | 0.747 | S | S | * | * | cis | -174.7 | -174.4 | 32 | 51.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 621 | I | 30.2 | Very low | 29.4 | Very low | 141 Ų | 141 | 138.1 Ų | 138.1 | 72% | 0.723 | 76% | 0.759 | S | S | * | * | trans | 79.2 | 102.9 | 160.4 | -60 | 161 | 0 | 0 | 0 | 117.2 | ||||
| 622 | D | 29 | Very low | 29 | Very low | 152 Ų | 152 | 141 Ų | 141 | 81% | 0.813 | 76% | 0.762 | S | S | * | * | 37.7 | 127.5 | 127.5 | -43.1 | -31.6 | 0 | 0 | 0 | 122.4 | |||||
| 623 | G | 27.5 | Very low | 28.8 | Very low | 65 Ų | 65 | 142.7 Ų | 142.7 | 67% | 0.67 | 75% | 0.752 | S | S | * | * | 114.5 | 124.7 | 111.5 | 0 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 624 | F | 29 | Very low | 28.5 | Very low | 202 Ų | 202 | 143.9 Ų | 143.9 | 89% | 0.886 | 75% | 0.745 | S | S | * | * | trans | 53.6 | 82.9 | 151.7 | -69.7 | -85.4 | 0 | 0 | 0 | 119.6 | ||||
| 625 | D | 27.9 | Very low | 28.2 | Very low | 152 Ų | 152 | 143.8 Ų | 143.8 | 81% | 0.813 | 74% | 0.744 | S | S | * | * | 30.8 | 161.3 | 101.1 | -160.2 | 23.5 | 0 | 0 | 0 | 121.3 | |||||
| 626 | V | 26.6 | Very low | 28 | Very low | 104 Ų | 104 | 139.9 Ų | 139.9 | 63% | 0.63 | 73% | 0.733 | S | S | * | * | trans | 84.8 | 58.9 | 165.2 | -155.7 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 627 | S | 26 | Very low | 27.9 | Very low | 99 Ų | 99 | 136.3 Ų | 136.3 | 69% | 0.692 | 73% | 0.727 | S | S | * | * | 80.9 | 157.9 | 117.3 | 81.5 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 628 | R | 26.9 | Very low | 27.7 | Very low | 208 Ų | 208 | 140.7 Ų | 140.7 | 79% | 0.785 | 74% | 0.739 | S | S | * | * | trans | 85.1 | 122.8 | 141 | -116.2 | -174.3 | 173 | 122.1 | 0.1 | 120.6 | ||||
| 629 | M | 27.5 | Very low | 27.4 | Very low | 139 Ų | 139 | 137.5 Ų | 137.5 | 69% | 0.685 | 72% | 0.717 | S | S | * | * | trans | 76 | 136.2 | 134.7 | -95.2 | 159.5 | 144.9 | 0 | 0 | 119.6 | ||||
| 630 | D | 29.5 | Very low | 27.4 | Very low | 118 Ų | 118 | 136.8 Ų | 136.8 | 63% | 0.631 | 71% | 0.713 | S | S | * | * | trans | 60.5 | 107.2 | 152.8 | -60.9 | -50.5 | 0 | 0 | 0 | 117.2 | ||||
| 631 | N | 27.7 | Very low | 27.2 | Very low | 141 Ų | 141 | 140.4 Ų | 140.4 | 75% | 0.754 | 73% | 0.725 | S | S | * | * | 79.9 | 155.5 | 72.9 | -83 | -50.9 | 0 | 0 | 0 | 112.7 | |||||
| 632 | E | 28.1 | Very low | 26.9 | Very low | 163 Ų | 163 | 140.3 Ų | 140.3 | 76% | 0.762 | 73% | 0.726 | S | S | * | * | trans | 69 | 112.9 | 163.2 | -68.5 | -153.1 | 151.4 | 0 | 0 | 120 | ||||
| 633 | I | 27.5 | Very low | 26.7 | Very low | 108 Ų | 108 | 139 Ų | 139 | 55% | 0.554 | 72% | 0.723 | S | S | * | * | 89.1 | 130.4 | 120.4 | -70.9 | 176.1 | 0 | 0 | 0 | 119 | |||||
| 634 | K | 29 | Very low | 26.6 | Very low | 168 Ų | 168 | 140.4 Ų | 140.4 | 73% | 0.73 | 72% | 0.723 | S | S | * | * | trans | 62.5 | 110.5 | 167.7 | -68.6 | 151.2 | -157.4 | 149.7 | 0 | 114.5 | ||||
| 635 | L | 25.2 | Very low | 26.4 | Very low | 147 Ų | 147 | 138.5 Ų | 138.5 | 77% | 0.77 | 72% | 0.721 | S | S | * | * | cis | 53.5 | 53.3 | 20 | -139.7 | -179.1 | 0 | 0 | 0 | 112 | ||||
| 636 | N | 26.7 | Very low | 26.6 | Very low | 127 Ų | 127 | 138.5 Ų | 138.5 | 68% | 0.679 | 72% | 0.719 | S | S | * | * | trans | -150.8 | 127.1 | 139.6 | -95.2 | -17.7 | 0 | 0 | 0 | 107.5 | ||||
| 637 | N | 26.3 | Very low | 26.7 | Very low | 101 Ų | 101 | 139.8 Ų | 139.8 | 54% | 0.54 | 72% | 0.722 | S | S | . | * | cis | 110.8 | 116.8 | 23.3 | -85.4 | -26.2 | 0 | 0 | 0 | 110.4 | S639 | N637-S639 WeakPolarHBondContact CB-OG 3.36Å; N637-S639 PolarHBondContact O-N 3.35Å | ||
| 638 | E | 25.9 | Very low | 26.9 | Very low | 215 Ų | 215 | 140.5 Ų | 140.5 | 100% | 1.005 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -84.6 | 69.2 | 141.6 | -71.4 | -165.7 | 150.8 | 0 | 0 | 107.7 | ||
| 639 | S | 24.5 | Very low | 27 | Very low | 55 Ų | 55 | 137.1 Ų | 137.1 | 39% | 0.385 | 72% | 0.721 | S | S | . | * | trans | -93.2 | 133.5 | -172.6 | 53.1 | 0 | 0 | 0 | 0 | 112.9 | N637 | N637-S639 WeakPolarHBondContact CB-OG 3.36Å; N637-S639 PolarHBondContact O-N 3.35Å | ||
| 640 | Q | 26.3 | Very low | 27.1 | Very low | 172 Ų | 172 | 136.2 Ų | 136.2 | 80% | 0.804 | 72% | 0.718 | S | S | * | * | trans | 67.9 | 99 | 144.9 | -67.3 | 161.8 | -4.8 | 0 | 0 | 115.6 | D642 | Q640-D642 PolarHBondContact O-N 3.43Š| ||
| 641 | N | 23.5 | Very low | 27.1 | Very low | 172 Ų | 172 | 136.4 Ų | 136.4 | 92% | 0.92 | 73% | 0.726 | S | S | * | * | trans | -51.6 | 120.6 | 130.5 | -75.8 | -60.4 | 0 | 0 | 0 | 108.6 | ||||
| 642 | D | 23.9 | Very low | 27.1 | Very low | 139 Ų | 139 | 137.2 Ų | 137.2 | 74% | 0.743 | 73% | 0.729 | S | S | * | * | trans | -139 | 112.8 | 144.2 | -146.8 | -4.4 | 0 | 0 | 0 | 109.9 | Q640 | Q640-D642 PolarHBondContact O-N 3.43Š| ||
| 643 | T | 24.9 | Very low | 27.3 | Very low | 123 Ų | 123 | 133.4 Ų | 133.4 | 76% | 0.755 | 73% | 0.726 | S | S | * | * | trans | 58.7 | 133.7 | 171.8 | 64.2 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 644 | S | 24.6 | Very low | 27.5 | Very low | 96 Ų | 96 | 133.9 Ų | 133.9 | 67% | 0.671 | 74% | 0.736 | S | S | * | * | trans | 92.5 | 108.7 | 140.2 | 76.8 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 645 | I | 26.2 | Very low | 27.4 | Very low | 162 Ų | 162 | 137.1 Ų | 137.1 | 83% | 0.831 | 74% | 0.743 | S | S | * | * | 79.6 | 140.9 | 124.5 | -61.1 | 167.9 | 0 | 0 | 0 | 120.3 | |||||
| 646 | I | 31.4 | Very low | 27.6 | Very low | 151 Ų | 151 | 135.1 Ų | 135.1 | 77% | 0.774 | 74% | 0.742 | S | S | * | * | trans | 83.5 | 82.5 | 175.9 | -33.7 | -164.3 | 0 | 0 | 0 | 120.1 | ||||
| 647 | L | 29.1 | Very low | 27.9 | Very low | 132 Ų | 132 | 140.2 Ų | 140.2 | 69% | 0.691 | 75% | 0.752 | S | S | * | * | 23.5 | 139.7 | 121.2 | -83.3 | 162.5 | 0 | 0 | 0 | 121.1 | |||||
| 648 | P | 30.1 | Very low | 28.2 | Very low | 114 Ų | 114 | 139.9 Ų | 139.9 | 74% | 0.74 | 76% | 0.757 | S | S | * | * | -135.3 | 149.1 | 71.6 | 38.8 | -26.9 | 0 | 0 | 0 | 117.8 | |||||
| 649 | N | 27.8 | Very low | 28.5 | Very low | 136 Ų | 136 | 137.8 Ų | 137.8 | 73% | 0.727 | 75% | 0.745 | S | S | * | * | trans | 39 | 112.4 | 149.9 | -55.2 | -16.4 | 0 | 0 | 0 | 119.1 | ||||
| 650 | I | 30 | Very low | 28.9 | Very low | 120 Ų | 120 | 144.8 Ų | 144.8 | 62% | 0.615 | 76% | 0.763 | S | S | * | * | 54.1 | 110.9 | 56.3 | -51.8 | 179.8 | 0 | 0 | 0 | 110.8 | L652 | I650-L652 HydrophobicContact CG2-CB 4.5Å; I650-L652 HydrophobicContact CG2-CD1 3.75Å; I650-L652 HydrophobicContact CG2-CG 3.95Å | |||
| 651 | P | 31.2 | Very low | 29.2 | Very low | 122 Ų | 122 | 146.9 Ų | 146.9 | 79% | 0.792 | 76% | 0.763 | S | S | * | * | -112.6 | 141.4 | 60.2 | 2.3 | 19.7 | 0 | 0 | 0 | 113.8 | |||||
| 652 | L | 25.9 | Very low | 29.7 | Very low | 158 Ų | 158 | 143 Ų | 143 | 83% | 0.827 | 76% | 0.755 | S | S | * | * | 66.1 | 126.4 | 63.8 | -79.6 | 166.6 | 0 | 0 | 0 | 114.8 | I650 | I650-L652 HydrophobicContact CG2-CB 4.5Å; I650-L652 HydrophobicContact CG2-CD1 3.75Å; I650-L652 HydrophobicContact CG2-CG 3.95Å | |||
| 653 | A | 33.9 | Very low | 30.8 | Very low | 83 Ų | 83 | 142.2 Ų | 142.2 | 69% | 0.686 | 76% | 0.758 | S | S | * | * | trans | -76.6 | 166.5 | -179 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 654 | P | 30.2 | Very low | 31.4 | Very low | 118 Ų | 118 | 142.1 Ų | 142.1 | 77% | 0.766 | 76% | 0.759 | S | S | * | * | -118.6 | 134 | 106.2 | -5.9 | 25.5 | 0 | 0 | 0 | 111.5 | |||||
| 655 | R | 27.9 | Very low | 32 | Very low | 236 Ų | 236 | 143.1 Ų | 143.1 | 89% | 0.891 | 76% | 0.763 | S | S | * | * | 41.6 | 99 | 78.1 | -72.9 | -178.5 | 167.5 | -176.7 | -1.4 | 113.3 | |||||
| 656 | S | 29.8 | Very low | 32.9 | Very low | 106 Ų | 106 | 141.3 Ų | 141.3 | 74% | 0.741 | 76% | 0.762 | S | S | * | * | -177.6 | 141.8 | 110.1 | 51.2 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 657 | R | 31.6 | Very low | 33.2 | Very low | 234 Ų | 234 | 140 Ų | 140 | 88% | 0.883 | 76% | 0.764 | S | S | * | * | trans | 33 | 138 | 130.8 | -59.5 | 170.2 | 173 | 175.1 | -3.9 | 117.4 | ||||
| 658 | S | 32.5 | Very low | 33.3 | Very low | 93 Ų | 93 | 141.8 Ų | 141.8 | 65% | 0.65 | 77% | 0.773 | S | S | * | * | cis | 176.5 | 169.6 | 18.2 | -105.3 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 659 | K | 33.5 | Very low | 33.6 | Very low | 172 Ų | 172 | 145.8 Ų | 145.8 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | cis | -151.8 | 138.6 | 9.7 | -109.1 | 143.1 | -171.1 | 177.4 | 0 | 105.9 | ||||
| 660 | R | 33 | Very low | 33.7 | Very low | 201 Ų | 201 | 144.4 Ų | 144.4 | 76% | 0.758 | 78% | 0.782 | S | S | * | * | 54.2 | 135.5 | 102.4 | -61.8 | -173.7 | 178.7 | -176.1 | -1.6 | 115 | |||||
| 661 | R | 31.9 | Very low | 33.8 | Very low | 217 Ų | 217 | 144.1 Ų | 144.1 | 82% | 0.819 | 79% | 0.791 | S | S | * | * | cis | -165.1 | 145.2 | 16.3 | -134 | 172.2 | -174.9 | 179 | -2 | 112.3 | ||||
| 662 | A | 35.3 | Very low | 33.6 | Very low | 90 Ų | 90 | 142.9 Ų | 142.9 | 74% | 0.744 | 79% | 0.785 | S | S | * | * | trans | -121.7 | 148.8 | 148.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 663 | P | 45.2 | Very low | 33.6 | Very low | 123 Ų | 123 | 142 Ų | 142 | 80% | 0.799 | 79% | 0.787 | S | S | * | * | trans | -103.3 | 155.2 | 171.7 | 36.1 | -28.9 | 0 | 0 | 0 | 113.1 | ||||
| 664 | P | 37.8 | Very low | 33.5 | Very low | 120 Ų | 120 | 142.4 Ų | 142.4 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | trans | -105 | 174.7 | -166.6 | 7 | 17.6 | 0 | 0 | 0 | 114.2 | ||||
| 665 | P | 37.3 | Very low | 33.3 | Very low | 118 Ų | 118 | 144.1 Ų | 144.1 | 77% | 0.766 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 159 | 175.6 | 34.3 | -36.5 | 0 | 0 | 0 | 113.7 | ||
| 666 | P | 46.4 | Very low | 33.3 | Very low | 124 Ų | 124 | 139.8 Ų | 139.8 | 81% | 0.805 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 153.1 | 171 | 34.7 | -34 | 0 | 0 | 0 | 112.9 | ||
| 667 | P | 36.1 | Very low | 33.2 | Very low | 124 Ų | 124 | 140.7 Ų | 140.7 | 81% | 0.805 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -101.5 | 171.8 | -174.2 | 39.7 | -36.5 | 0 | 0 | 0 | 115.1 | ||
| 668 | L | 31.7 | Very low | 33 | Very low | 169 Ų | 169 | 136.5 Ų | 136.5 | 89% | 0.885 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 141.9 | 164.4 | -76.7 | 156.2 | 0 | 0 | 0 | 111.3 | ||
| 669 | Q | 36 | Very low | 32.7 | Very low | 198 Ų | 198 | 137.4 Ų | 137.4 | 93% | 0.925 | 78% | 0.777 | S | S | * | * | trans | -155 | 173.5 | 158.3 | -116.7 | 173.3 | 11.4 | 0 | 0 | 111.2 | ||||
| 670 | S | 29.6 | Very low | 32.4 | Very low | 106 Ų | 106 | 134.2 Ų | 134.2 | 74% | 0.741 | 77% | 0.772 | S | S | * | * | trans | -127.8 | -177.4 | -151.4 | 53.3 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 671 | S | 32.1 | Very low | 32.1 | Very low | 114 Ų | 114 | 129.7 Ų | 129.7 | 80% | 0.797 | 77% | 0.767 | S | S | * | * | trans | 78.8 | 148.9 | 174.6 | 79.1 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 672 | S | 28.1 | Very low | 31.9 | Very low | 97 Ų | 97 | 125.9 Ų | 125.9 | 68% | 0.678 | 76% | 0.763 | S | S | * | * | cis | -172.5 | 155.9 | -22.5 | 52.3 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 673 | T | 26.3 | Very low | 31.6 | Very low | 139 Ų | 139 | 126.5 Ų | 126.5 | 85% | 0.853 | 76% | 0.757 | S | S | * | * | trans | 78.5 | 163.4 | 151.1 | -48.8 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 674 | A | 31 | Very low | 30.9 | Very low | 92 Ų | 92 | 127.2 Ų | 127.2 | 76% | 0.76 | 75% | 0.754 | S | S | * | * | trans | 91.8 | 73 | 168.5 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 675 | L | 25.9 | Very low | 30.6 | Very low | 154 Ų | 154 | 127.5 Ų | 127.5 | 81% | 0.806 | 75% | 0.754 | S | S | * | * | trans | -25.5 | 140.4 | 143.7 | -69.1 | 151 | 0 | 0 | 0 | 116.2 | ||||
| 676 | N | 28.5 | Very low | 30.3 | Very low | 145 Ų | 145 | 125.3 Ų | 125.3 | 78% | 0.775 | 75% | 0.746 | S | S | * | * | 163.7 | 151.5 | 124.1 | -83.9 | -13.5 | 0 | 0 | 0 | 109.8 | |||||
| 677 | I | 27 | Very low | 29.7 | Very low | 125 Ų | 125 | 125.5 Ų | 125.5 | 64% | 0.641 | 75% | 0.745 | S | S | * | * | cis | 171.4 | 155.9 | -24.2 | -112.6 | 176.2 | 0 | 0 | 0 | 104.2 | ||||
| 678 | I | 27.7 | Very low | 29.6 | Very low | 146 Ų | 146 | 125.1 Ų | 125.1 | 75% | 0.749 | 74% | 0.741 | S | S | * | * | trans | 71.3 | 130.9 | 171.4 | -85.1 | 158.6 | 0 | 0 | 0 | 114.7 | ||||
| 679 | T | 26.5 | Very low | 29.7 | Very low | 112 Ų | 112 | 122.9 Ų | 122.9 | 69% | 0.687 | 73% | 0.73 | S | S | * | * | cis | 117.1 | 136.3 | 28.1 | -84.7 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 680 | T | 26.9 | Very low | 29.6 | Very low | 105 Ų | 105 | 120.8 Ų | 120.8 | 64% | 0.644 | 73% | 0.725 | S | S | * | * | cis | -165 | 173.9 | -12.9 | 36.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 681 | T | 27.7 | Very low | 29.7 | Very low | 105 Ų | 105 | 122 Ų | 122 | 64% | 0.644 | 72% | 0.723 | S | S | * | * | trans | 67 | 130.8 | 141 | 43.4 | 0 | 0 | 0 | 0 | 123 | ||||
| 682 | N | 27.4 | Very low | 29.8 | Very low | 138 Ų | 138 | 124.1 Ų | 124.1 | 74% | 0.738 | 72% | 0.724 | S | S | * | * | trans | 75.7 | 147.7 | 134 | -65.3 | 5 | 0 | 0 | 0 | 119.2 | ||||
| 683 | T | 29.3 | Very low | 29.7 | Very low | 102 Ų | 102 | 127.3 Ų | 127.3 | 63% | 0.626 | 73% | 0.73 | S | S | * | * | cis | -166.9 | 164 | -4.8 | 16.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 684 | N | 29.5 | Very low | 29.9 | Very low | 138 Ų | 138 | 125.6 Ų | 125.6 | 74% | 0.738 | 72% | 0.722 | S | S | * | * | trans | 69.3 | 156.2 | 150.8 | -66.9 | -3.6 | 0 | 0 | 0 | 117.6 | ||||
| 685 | T | 31.2 | Very low | 29.9 | Very low | 126 Ų | 126 | 126.2 Ų | 126.2 | 77% | 0.773 | 72% | 0.721 | S | S | * | * | cis | -168.9 | 161.3 | -6.9 | 23.7 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 686 | A | 32.6 | Very low | 30.1 | Very low | 73 Ų | 73 | 123.8 Ų | 123.8 | 60% | 0.603 | 72% | 0.717 | S | S | * | * | cis | -177.5 | -176.9 | -20.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 687 | T | 32.1 | Very low | 30.2 | Very low | 128 Ų | 128 | 124.1 Ų | 124.1 | 79% | 0.785 | 72% | 0.718 | S | S | * | * | trans | 67.7 | 150.5 | 160.8 | 45.5 | 0 | 0 | 0 | 0 | 119 | ||||
| 688 | T | 35.6 | Very low | 30.2 | Very low | 115 Ų | 115 | 124.6 Ų | 124.6 | 71% | 0.706 | 72% | 0.722 | S | S | * | * | cis | -150.8 | 134.7 | 10.8 | -11.6 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 689 | N | 32.8 | Very low | 30.3 | Very low | 123 Ų | 123 | 126.5 Ų | 126.5 | 66% | 0.658 | 73% | 0.728 | S | S | * | * | trans | 25.7 | 135.3 | 140.7 | -52.2 | -0.2 | 0 | 0 | 0 | 122.9 | ||||
| 690 | N | 35.2 | Very low | 30.2 | Very low | 154 Ų | 154 | 127.3 Ų | 127.3 | 82% | 0.824 | 73% | 0.733 | S | S | * | * | -166.5 | 149.4 | 90.8 | -102.2 | -32.8 | 0 | 0 | 0 | 116.3 | |||||
| 691 | N | 31.1 | Very low | 30.2 | Very low | 131 Ų | 131 | 130.4 Ų | 130.4 | 70% | 0.701 | 74% | 0.743 | S | S | * | * | trans | -79.4 | 162.5 | -162.2 | -54.2 | -48.7 | 0 | 0 | 0 | 117.3 | ||||
| 692 | I | 33.2 | Very low | 30.1 | Very low | 159 Ų | 159 | 131.8 Ų | 131.8 | 82% | 0.815 | 75% | 0.747 | S | S | * | * | 170.5 | 107.9 | 120.1 | -86.1 | 155 | 0 | 0 | 0 | 107.2 | |||||
| 693 | M | 27.4 | Very low | 30.1 | Very low | 164 Ų | 164 | 133.1 Ų | 133.1 | 81% | 0.808 | 75% | 0.753 | S | S | * | * | 60 | 133.1 | 82.7 | -75.3 | -70.6 | -170.3 | 0 | 0 | 114 | |||||
| 694 | C | 29.4 | Very low | 29.9 | Very low | 102 Ų | 102 | 132.6 Ų | 132.6 | 69% | 0.689 | 75% | 0.753 | S | S | * | * | cis | -154.2 | 164.1 | 10.8 | -157.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 695 | S | 30.8 | Very low | 29.7 | Very low | 105 Ų | 105 | 130.4 Ų | 130.4 | 73% | 0.734 | 75% | 0.749 | S | S | * | * | trans | -5.5 | 164.6 | 162.1 | 77.8 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 696 | S | 30.3 | Very low | 29.5 | Very low | 103 Ų | 103 | 132.3 Ų | 132.3 | 72% | 0.72 | 75% | 0.754 | S | S | * | * | cis | -160.7 | 180 | 18.7 | 69.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 697 | L | 29.9 | Very low | 29.2 | Very low | 152 Ų | 152 | 135.8 Ų | 135.8 | 80% | 0.796 | 76% | 0.762 | S | S | * | * | cis | -153.2 | -170.9 | -3.6 | -155.1 | 62.5 | 0 | 0 | 0 | 109.7 | ||||
| 698 | D | 26.9 | Very low | 28.8 | Very low | 135 Ų | 135 | 137.9 Ų | 137.9 | 72% | 0.722 | 77% | 0.767 | S | S | * | * | trans | -67.4 | 153.2 | -176.1 | -47.8 | -50.2 | 0 | 0 | 0 | 118 | ||||
| 699 | Q | 31 | Very low | 28.5 | Very low | 187 Ų | 187 | 135.9 Ų | 135.9 | 87% | 0.874 | 77% | 0.769 | S | S | * | * | -163.9 | 140.4 | 98.4 | -101.7 | -174.7 | 13.8 | 0 | 0 | 112.8 | |||||
| 700 | T | 23.3 | Very low | 28.1 | Very low | 128 Ų | 128 | 136 Ų | 136 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | trans | -127 | 129.1 | -179.1 | -57.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 701 | I | 28.6 | Very low | 27.6 | Very low | 170 Ų | 170 | 135.3 Ų | 135.3 | 87% | 0.872 | 77% | 0.771 | S | S | * | * | trans | -122.8 | 132.1 | 160.7 | -63.9 | -178.5 | 0 | 0 | 0 | 108.2 | ||||
| 702 | N | 24.2 | Very low | 27.3 | Very low | 134 Ų | 134 | 135.8 Ų | 135.8 | 72% | 0.717 | 77% | 0.772 | S | S | * | * | trans | -122.2 | 142.1 | -176.7 | 177.9 | 15.9 | 0 | 0 | 0 | 107.4 | ||||
| 703 | L | 28.6 | Very low | 26.8 | Very low | 167 Ų | 167 | 132.5 Ų | 132.5 | 87% | 0.874 | 76% | 0.763 | S | S | * | * | trans | -172 | 165.2 | 149.9 | -105.6 | 164.1 | 0 | 0 | 0 | 110.9 | ||||
| 704 | S | 24.5 | Very low | 26.6 | Very low | 90 Ų | 90 | 133.6 Ų | 133.6 | 63% | 0.629 | 76% | 0.763 | S | S | * | * | trans | -121.9 | 167.8 | -151.9 | 58.7 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 705 | S | 25.1 | Very low | 26.3 | Very low | 92 Ų | 92 | 134.4 Ų | 134.4 | 64% | 0.643 | 77% | 0.765 | S | S | * | * | trans | 59.4 | 123.2 | 147.7 | 59.4 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 706 | L | 27.4 | Very low | 26.2 | Very low | 167 Ų | 167 | 136.7 Ų | 136.7 | 87% | 0.874 | 77% | 0.769 | S | S | * | * | -147.6 | 146.9 | 109.1 | -136.5 | 72.7 | 0 | 0 | 0 | 111.3 | |||||
| 707 | D | 25.2 | Very low | 25.8 | Very low | 146 Ų | 146 | 139.9 Ų | 139.9 | 78% | 0.781 | 77% | 0.77 | S | S | * | * | trans | -98.5 | -171.9 | -179 | -98 | -61.1 | 0 | 0 | 0 | 112.1 | ||||
| 708 | I | 25.5 | Very low | 25.6 | Very low | 171 Ų | 171 | 141 Ų | 141 | 88% | 0.877 | 78% | 0.776 | S | S | * | * | trans | 103.8 | 120.5 | 158.7 | -54.6 | 156.7 | 0 | 0 | 0 | 114.8 | ||||
| 709 | G | 28 | Very low | 25.4 | Very low | 74 Ų | 74 | 141.7 Ų | 141.7 | 76% | 0.763 | 77% | 0.773 | S | S | * | * | trans | 163.3 | 40.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 710 | T | 24.4 | Very low | 25.2 | Very low | 126 Ų | 126 | 140.9 Ų | 140.9 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | trans | -83.7 | 142.6 | 176.8 | 44.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 711 | N | 24.9 | Very low | 25.2 | Very low | 138 Ų | 138 | 141.3 Ų | 141.3 | 74% | 0.738 | 77% | 0.77 | S | S | * | * | 168.1 | 162 | 122.2 | -96.6 | -64.6 | 0 | 0 | 0 | 116.1 | |||||
| 712 | I | 25.6 | Very low | 25 | Very low | 142 Ų | 142 | 136.4 Ų | 136.4 | 73% | 0.728 | 76% | 0.762 | S | S | * | * | trans | 48.2 | 110.2 | 149 | -63.5 | 161.1 | 0 | 0 | 0 | 116.9 | ||||
| 713 | S | 23.1 | Very low | 25.1 | Very low | 90 Ų | 90 | 138.1 Ų | 138.1 | 63% | 0.629 | 77% | 0.769 | S | S | * | * | cis | 105.6 | 138 | 25.5 | 82.5 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 714 | K | 23.1 | Very low | 24.8 | Very low | 187 Ų | 187 | 136 Ų | 136 | 81% | 0.813 | 77% | 0.768 | S | S | * | * | trans | 79.3 | 133.9 | 164.6 | -62.1 | 179.4 | 176 | 175.6 | 0 | 118.3 | ||||
| 715 | T | 23.2 | Very low | 24.8 | Very low | 119 Ų | 119 | 136.1 Ų | 136.1 | 73% | 0.73 | 78% | 0.775 | S | S | * | * | trans | 48.2 | 129.9 | 145 | 52.4 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 716 | D | 27.7 | Very low | 24.8 | Very low | 152 Ų | 152 | 137.6 Ų | 137.6 | 81% | 0.813 | 78% | 0.782 | S | S | * | * | cis | -137.4 | 163.8 | 49.5 | -102.3 | -45.2 | 0 | 0 | 0 | 118.3 | ||||
| 717 | K | 23 | Very low | 24.7 | Very low | 170 Ų | 170 | 134.9 Ų | 134.9 | 74% | 0.739 | 78% | 0.777 | S | S | * | * | trans | -106.7 | 123.5 | 164 | -70.6 | 178.6 | 179.1 | 176.7 | 0 | 109 | F719 | K717-F719 HydrophobicContact CD-CE2 4.38Š| ||
| 718 | L | 25.1 | Very low | 24.8 | Very low | 176 Ų | 176 | 136.8 Ų | 136.8 | 92% | 0.921 | 78% | 0.781 | S | S | * | * | trans | -114.7 | 113.1 | 155.4 | -83 | 169.8 | 0 | 0 | 0 | 109.8 | ||||
| 719 | F | 23 | Very low | 24.7 | Very low | 149 Ų | 149 | 136.5 Ų | 136.5 | 65% | 0.654 | 78% | 0.776 | S | S | * | * | trans | -74.6 | 140.3 | 166.4 | -81 | -103.9 | 0 | 0 | 0 | 109.4 | K717 | K717-F719 HydrophobicContact CD-CE2 4.38Š| ||
| 720 | I | 26.8 | Very low | 24.7 | Very low | 171 Ų | 171 | 139.7 Ų | 139.7 | 88% | 0.877 | 78% | 0.775 | S | S | * | * | trans | -128.8 | 120.7 | 138 | -62.6 | -175 | 0 | 0 | 0 | 107.1 | ||||
| 721 | N | 23.4 | Very low | 24.8 | Very low | 136 Ų | 136 | 142 Ų | 142 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | trans | -87.1 | 147 | 171.1 | -61.9 | -56.5 | 0 | 0 | 0 | 108.9 | ||||
| 722 | G | 24.5 | Very low | 25 | Very low | 68 Ų | 68 | 140 Ų | 140 | 70% | 0.701 | 77% | 0.769 | S | S | * | * | trans | -153.3 | 35.7 | -165.2 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 723 | I | 25 | Very low | 25.1 | Very low | 170 Ų | 170 | 139.6 Ų | 139.6 | 87% | 0.872 | 77% | 0.765 | S | S | * | * | trans | 68.4 | 136.4 | 159.8 | -54.5 | 174.6 | 0 | 0 | 0 | 117.2 | ||||
| 724 | S | 23.2 | Very low | 25.3 | Very low | 121 Ų | 121 | 139.1 Ų | 139.1 | 85% | 0.846 | 75% | 0.752 | S | S | * | * | trans | -119 | 130.4 | 170.8 | -49.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 725 | A | 24.5 | Very low | 25.5 | Very low | 94 Ų | 94 | 134.4 Ų | 134.4 | 78% | 0.777 | 74% | 0.739 | S | S | * | * | trans | -177.9 | 168.6 | 156.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 726 | P | 25.1 | Very low | 25.7 | Very low | 123 Ų | 123 | 130.7 Ų | 130.7 | 80% | 0.799 | 72% | 0.719 | S | S | * | * | -124.5 | 174.4 | -61.1 | 38 | -25.1 | 0 | 0 | 0 | 111.7 | |||||
| 727 | S | 24.5 | Very low | 25.6 | Very low | 109 Ų | 109 | 130.4 Ų | 130.4 | 76% | 0.762 | 72% | 0.717 | S | S | * | * | trans | -76.2 | 135 | 177.5 | 54.4 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 728 | H | 27.3 | Very low | 25.8 | Very low | 186 Ų | 186 | 126.5 Ų | 126.5 | 86% | 0.861 | 70% | 0.704 | S | S | * | * | trans | -145.7 | 156.3 | 146.8 | -112.6 | -79.5 | 0 | 0 | 0 | 111.4 | ||||
| 729 | E | 24.3 | Very low | 25.8 | Very low | 166 Ų | 166 | 123.2 Ų | 123.2 | 78% | 0.776 | 69% | 0.686 | S | S | * | * | trans | -89.8 | 146.3 | -174 | -59.7 | 157.5 | 125.4 | 0 | 0 | 111.2 | ||||
| 730 | N | 27.1 | Very low | 25.9 | Very low | 140 Ų | 140 | 122.3 Ų | 122.3 | 75% | 0.749 | 69% | 0.693 | S | S | * | * | -173.3 | 168.5 | 125.6 | -99.4 | -41.3 | 0 | 0 | 0 | 114.6 | |||||
| 731 | H | 27.3 | Very low | 25.9 | Very low | 176 Ų | 176 | 117.7 Ų | 117.7 | 82% | 0.815 | 67% | 0.67 | S | S | * | * | trans | -15.5 | 132 | 172.4 | -67.8 | -98.3 | 0 | 0 | 0 | 118.8 | ||||
| 732 | V | 27.8 | Very low | 25.9 | Very low | 94 Ų | 94 | 116 Ų | 116 | 57% | 0.57 | 66% | 0.661 | S | S | * | * | trans | -129.1 | 136.6 | 160.4 | 174 | 0 | 0 | 0 | 0 | 107.1 | R228 | R228-V732 PolarHBondContact NH2-O 3.27Š| ||
| 733 | E | 28.3 | Very low | 26.1 | Very low | 134 Ų | 134 | 116.6 Ų | 116.6 | 63% | 0.626 | 64% | 0.643 | S | S | * | * | trans | -81.1 | 172.8 | -173.5 | -63.5 | -177.5 | 116.1 | 0 | 0 | 112.4 | ||||
| 734 | E | 26.1 | Very low | 26.2 | Very low | 80 Ų | 80 | 113.2 Ų | 113.2 | 37% | 0.374 | 63% | 0.626 | S | S | . | * | trans | -102.2 | 93.6 | 171.7 | -73.5 | 171.5 | -164.9 | 0 | 0 | 107.7 | D226 R975 | D226-E734 HydrophobicContact CB-CG 3.94Å; E734-R975 IonicContact OE1-NH2 3.22Å; E734-R975 IonicContact OE2-CZ 3.48Å; E734-R975 IonicContact OE2-NH1 3.67Å; E734-R975 PolarHBondContact OE2-NH1 2.93Å; E734-R975 IonicContact OE2-NH2 2.84Å; E734-R975 PolarHBondContact OE2-NH2 2.91Å | ||
| 735 | T | 27.6 | Very low | 26.2 | Very low | 88 Ų | 88 | 113.7 Ų | 113.7 | 54% | 0.54 | 62% | 0.618 | S | S | . | * | trans | -93.3 | 177.3 | 173.6 | 75.7 | 0 | 0 | 0 | 0 | 110.5 | S1194 | T735-S1194 VanDerWaalsContact CB-C 3.46Å; T735-S1194 WeakPolarHBondContact CB-O 3.23Å; T735-S1194 WeakPolarHBondContact CB-OXT 3.3Å; T735-S1194 PolarHBondContact OG1-OXT 3.05Å | ||
| 736 | S | 28.6 | Very low | 26.3 | Very low | 42 Ų | 42 | 118.5 Ų | 118.5 | 29% | 0.294 | 62% | 0.622 | S | S | . | * | trans | -81.7 | 146.8 | -167.9 | -65.8 | 0 | 0 | 0 | 0 | 112.8 | D738 S1194 | S736-D738 VanDerWaalsContact C-N 3.32Å; S736-D738 PolarHBondContact O-N 3.06Å; S736-S1194 PolarHBondContact N-O 3.2Å; S736-S1194 VanDerWaalsContact N-O 3.09Å; S736-S1194 PolarHBondContact N-OXT 3.22Å | ||
| 737 | N | 26.1 | Very low | 26.3 | Very low | 145 Ų | 145 | 118.1 Ų | 118.1 | 78% | 0.775 | 61% | 0.612 | S | S | * | * | trans | -67.3 | 91.3 | 167.7 | -77.5 | -35.1 | 0 | 0 | 0 | 110 | ||||
| 738 | D | 25.5 | Very low | 26.3 | Very low | 89 Ų | 89 | 119.6 Ų | 119.6 | 48% | 0.476 | 61% | 0.609 | S | S | . | * | trans | -72 | 135.2 | 176.1 | -93.6 | -19.1 | 0 | 0 | 0 | 112.6 | S736 S1193 S1194 | S736-D738 VanDerWaalsContact C-N 3.32Å; S736-D738 PolarHBondContact O-N 3.06Å; D738-S1193 WeakPolarHBondContact OD2-CB 3.49Å; D738-S1194 PolarHBondContact OD2-N 3.44Å | ||
| 739 | I | 25.6 | Very low | 26.3 | Very low | 106 Ų | 106 | 120.4 Ų | 120.4 | 54% | 0.544 | 61% | 0.605 | S | S | . | * | trans | -126 | 99.5 | 171.4 | -60 | 177.2 | 0 | 0 | 0 | 106.6 | L741 | I739-L741 HydrophobicContact CG2-CD2 4.3Å; I739-L741 HydrophobicContact CG2-CG 4.37Å; I739-L741 PolarHBondContact O-N 3.49Å; I739-L741 VanDerWaalsContact O-N 3.11Å | ||
| 740 | T | 25.8 | Very low | 26.4 | Very low | 130 Ų | 130 | 120 Ų | 120 | 80% | 0.798 | 60% | 0.603 | S | S | * | * | trans | -65.2 | 109 | 177.5 | -41.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 741 | L | 26.4 | Very low | 26.6 | Very low | 74 Ų | 74 | 120.7 Ų | 120.7 | 39% | 0.387 | 61% | 0.606 | S | S | . | * | trans | -98.4 | 111.3 | 178.4 | -71.9 | 171.4 | 0 | 0 | 0 | 110.5 | I739 Y743 | I739-L741 HydrophobicContact CG2-CD2 4.3Å; I739-L741 HydrophobicContact CG2-CG 4.37Å; I739-L741 PolarHBondContact O-N 3.49Å; I739-L741 VanDerWaalsContact O-N 3.11Å; L741-Y743 HydrophobicContact CB-CD2 4Å; L741-Y743 HydrophobicContact CB-CE2 3.53Å; L741-Y743 HydrophobicContact CD1-CE2 4.06Å; L741-Y743 WeakPolarHBondContact CD1-OH 3.12Å; L741-Y743 HydrophobicContact CG-CE2 4.44Å; L741-Y743 WeakPolarHBondContact O-CD2 3.37Å; L741-Y743 PolarHBondContact O-N 3.3Å | ||
| 742 | N | 23.7 | Very low | 26.5 | Very low | 102 Ų | 102 | 116.9 Ų | 116.9 | 55% | 0.545 | 60% | 0.6 | S | S | . | * | trans | -72.4 | 92.9 | 168.1 | -78.2 | 4.5 | 0 | 0 | 0 | 109.5 | ||||
| 743 | Y | 28 | Very low | 26.6 | Very low | 80 Ų | 80 | 121.8 Ų | 121.8 | 31% | 0.314 | 62% | 0.619 | S | S | . | * | P | Polyproline II helix | trans | -79.4 | 140.7 | 165 | -67.6 | -81.9 | 0 | 0 | 0 | 110.2 | L741 I745 M858 L900 | L741-Y743 HydrophobicContact CB-CD2 4Å; L741-Y743 HydrophobicContact CB-CE2 3.53Å; L741-Y743 HydrophobicContact CD1-CE2 4.06Å; L741-Y743 WeakPolarHBondContact CD1-OH 3.12Å; L741-Y743 HydrophobicContact CG-CE2 4.44Å; L741-Y743 WeakPolarHBondContact O-CD2 3.37Å; L741-Y743 PolarHBondContact O-N 3.3Å; Y743-I745 WeakPolarHBondContact O-CG1 3.21Å; Y743-I745 PolarHBondContact O-N 2.88Å; Y743-M858 HydrophobicContact CD2-CE 4.29Å; Y743-M858 HydrophobicContact CD2-SD 4.21Å; Y743-M858 HydrophobicContact CG-SD 4.38Å; Y743-L900 HydrophobicContact CE1-CD1 4.4Å |
| 744 | N | 26.5 | Very low | 26.6 | Very low | 98 Ų | 98 | 119.1 Ų | 119.1 | 52% | 0.524 | 63% | 0.627 | S | S | . | * | P | Polyproline II helix | trans | -67.8 | 126.2 | 171.1 | -77.7 | -17.9 | 0 | 0 | 0 | 109.1 | ||
| 745 | I | 25 | Very low | 26.9 | Very low | 131 Ų | 131 | 120.3 Ų | 120.3 | 67% | 0.672 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -93.3 | 119.6 | -161.7 | -48.9 | 178.8 | 0 | 0 | 0 | 110.6 | Y743 I747 | Y743-I745 WeakPolarHBondContact O-CG1 3.21Å; Y743-I745 PolarHBondContact O-N 2.88Å; I745-I747 HydrophobicContact CG2-CD1 3.79Å; I745-I747 HydrophobicContact CG2-CG1 3.62Å |
| 746 | K | 25.5 | Very low | 27 | Very low | 196 Ų | 196 | 123.1 Ų | 123.1 | 85% | 0.852 | 66% | 0.656 | S | S | * | * | trans | -101.9 | 88.2 | 160.4 | -162.3 | -178.1 | -174.6 | -170.5 | 0 | 108.7 | I748 | K746-I748 PolarHBondContact O-N 3.19Š| ||
| 747 | I | 25 | Very low | 27.2 | Very low | 115 Ų | 115 | 128.9 Ų | 128.9 | 59% | 0.59 | 68% | 0.679 | S | S | * | * | trans | -66.1 | 130 | 171 | -79.3 | 142.3 | 0 | 0 | 0 | 108.2 | I745 R749 | I745-I747 HydrophobicContact CG2-CD1 3.79Å; I745-I747 HydrophobicContact CG2-CG1 3.62Å; I747-R749 HydrophobicContact CG2-CB 4.05Å; I747-R749 HydrophobicContact CG2-CG 4.01Å | ||
| 748 | I | 25.7 | Very low | 27.6 | Very low | 139 Ų | 139 | 128.5 Ų | 128.5 | 71% | 0.713 | 68% | 0.676 | S | S | * | * | trans | -92.5 | 110.3 | 162.5 | -57.6 | 176.6 | 0 | 0 | 0 | 106.4 | K746 | K746-I748 PolarHBondContact O-N 3.19Š| ||
| 749 | R | 27.2 | Very low | 28.1 | Very low | 203 Ų | 203 | 130.2 Ų | 130.2 | 77% | 0.766 | 69% | 0.686 | S | S | * | * | trans | -144.3 | 112.4 | 163.4 | -90 | -167.5 | 169.5 | 125.4 | 2.3 | 107 | I747 | I747-R749 HydrophobicContact CG2-CB 4.05Å; I747-R749 HydrophobicContact CG2-CG 4.01Å | ||
| 750 | E | 26.4 | Very low | 28.8 | Very low | 159 Ų | 159 | 131.5 Ų | 131.5 | 74% | 0.743 | 69% | 0.694 | S | S | * | * | trans | -121.6 | 88.2 | 174.9 | -69.9 | -176.4 | 167.9 | 0 | 0 | 107.8 | ||||
| 751 | D | 30.9 | Very low | 29.5 | Very low | 153 Ų | 153 | 132.9 Ų | 132.9 | 82% | 0.818 | 70% | 0.696 | S | S | * | * | trans | -82.3 | 117.8 | 175.2 | -66.5 | -45.9 | 0 | 0 | 0 | 109.1 | ||||
| 752 | S | 25.6 | Very low | 30.2 | Very low | 96 Ų | 96 | 136.3 Ų | 136.3 | 67% | 0.671 | 72% | 0.715 | S | S | * | * | trans | -123.3 | 99.2 | -172.2 | 62 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 753 | M | 30.2 | Very low | 31 | Very low | 197 Ų | 197 | 137.1 Ų | 137.1 | 97% | 0.97 | 72% | 0.719 | S | S | * | * | trans | -143 | 140.8 | 166.3 | -78.2 | -68.2 | 175.6 | 0 | 0 | 108.4 | ||||
| 754 | G | 27.8 | Very low | 31.6 | Very low | 78 Ų | 78 | 139 Ų | 139 | 80% | 0.804 | 74% | 0.735 | S | S | * | * | trans | -146.2 | 150.8 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 755 | S | 31.5 | Very low | 32.1 | Very low | 106 Ų | 106 | 138 Ų | 138 | 74% | 0.741 | 75% | 0.748 | S | S | * | * | trans | -177.1 | 110.2 | 171.9 | 50.7 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 756 | N | 29.3 | Very low | 32.8 | Very low | 147 Ų | 147 | 138.9 Ų | 138.9 | 79% | 0.786 | 75% | 0.754 | S | S | * | * | 98.5 | 148.9 | 74.5 | -97.2 | 35.3 | 0 | 0 | 0 | 111.4 | |||||
| 757 | E | 34.4 | Very low | 33.3 | Very low | 163 Ų | 163 | 137.5 Ų | 137.5 | 76% | 0.762 | 75% | 0.75 | S | S | * | * | trans | 74 | 115.5 | 174.5 | -69.9 | 143.3 | -124.9 | 0 | 0 | 115.4 | ||||
| 758 | N | 32.6 | Very low | 33.8 | Very low | 136 Ų | 136 | 137.6 Ų | 137.6 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | 80.6 | 131.8 | 63.8 | -79.3 | 72.6 | 0 | 0 | 0 | 111.1 | |||||
| 759 | D | 37.6 | Very low | 34.2 | Very low | 125 Ų | 125 | 134.9 Ų | 134.9 | 67% | 0.668 | 76% | 0.755 | S | S | * | * | cis | -150.8 | 172.2 | 4.6 | -52.5 | -67.2 | 0 | 0 | 0 | 107.2 | ||||
| 760 | D | 39.6 | Very low | 34.4 | Very low | 133 Ų | 133 | 134.5 Ų | 134.5 | 71% | 0.711 | 76% | 0.759 | S | S | * | * | cis | -169.7 | -174.1 | -25.3 | -90.8 | -3.8 | 0 | 0 | 0 | 108.4 | ||||
| 761 | D | 40.2 | Very low | 34.7 | Very low | 159 Ų | 159 | 137.4 Ų | 137.4 | 85% | 0.85 | 76% | 0.764 | S | S | * | * | trans | 67.7 | 145.9 | 166.6 | -60.6 | -12.4 | 0 | 0 | 0 | 120.8 | ||||
| 762 | D | 40.6 | Very low | 34.8 | Very low | 147 Ų | 147 | 134.7 Ų | 134.7 | 79% | 0.786 | 76% | 0.757 | S | S | * | * | cis | -169.8 | 160.1 | -21.1 | -150.8 | 2.1 | 0 | 0 | 0 | 114 | ||||
| 763 | D | 40.9 | Very low | 35 | Very low | 118 Ų | 118 | 135.4 Ų | 135.4 | 63% | 0.631 | 76% | 0.762 | S | S | * | * | trans | 70.9 | 100 | 150.6 | -145.7 | 35.6 | 0 | 0 | 0 | 128.3 | ||||
| 764 | N | 41 | Very low | 35 | Very low | 120 Ų | 120 | 131.4 Ų | 131.4 | 64% | 0.642 | 75% | 0.754 | S | S | * | * | trans | 54 | 148.1 | 130 | -78.6 | -61.5 | 0 | 0 | 0 | 129.8 | ||||
| 765 | G | 38.1 | Very low | 35.1 | Very low | 78 Ų | 78 | 134.3 Ų | 134.3 | 80% | 0.804 | 76% | 0.756 | S | S | * | * | trans | 161.9 | 119.2 | 154.8 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 766 | D | 38.9 | Very low | 34.9 | Very low | 149 Ų | 149 | 134.2 Ų | 134.2 | 80% | 0.797 | 76% | 0.755 | S | S | * | * | trans | -103.5 | 171.2 | -163.7 | -174.1 | 25.4 | 0 | 0 | 0 | 119 | ||||
| 767 | E | 36.5 | Very low | 34.9 | Very low | 166 Ų | 166 | 134.9 Ų | 134.9 | 78% | 0.776 | 76% | 0.757 | S | S | * | * | trans | 138 | 96.1 | 141.4 | -74.8 | -148.3 | 135 | 0 | 0 | 121.8 | ||||
| 768 | T | 34.7 | Very low | 34.6 | Very low | 117 Ų | 117 | 134.3 Ų | 134.3 | 72% | 0.718 | 76% | 0.759 | S | S | * | * | trans | 43.6 | 144 | 131.3 | 83.1 | 0 | 0 | 0 | 0 | 128.8 | ||||
| 769 | A | 34.3 | Very low | 34.7 | Very low | 82 Ų | 82 | 136.9 Ų | 136.9 | 68% | 0.678 | 77% | 0.766 | S | S | * | * | 128.4 | 99.3 | 118.5 | 0 | 0 | 0 | 0 | 0 | 125 | |||||
| 770 | K | 32.1 | Very low | 34.1 | Very low | 195 Ų | 195 | 138.4 Ų | 138.4 | 85% | 0.848 | 78% | 0.775 | S | S | * | * | 75.2 | 158.9 | 125.7 | -71 | 174.3 | 179.8 | 165 | 0 | 126.8 | |||||
| 771 | Y | 32.5 | Very low | 33.7 | Very low | 220 Ų | 220 | 135.8 Ų | 135.8 | 86% | 0.863 | 78% | 0.779 | S | S | * | * | trans | 87.9 | 141.4 | 169.2 | -67.1 | -90.3 | 0 | 0 | 0 | 119.9 | ||||
| 772 | S | 31.7 | Very low | 33.1 | Very low | 96 Ų | 96 | 136.7 Ų | 136.7 | 67% | 0.671 | 78% | 0.778 | S | S | * | * | cis | -173.2 | 139.6 | -31.2 | -103 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 773 | S | 30.1 | Very low | 32.6 | Very low | 111 Ų | 111 | 137.5 Ų | 137.5 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | trans | 36.9 | 137.4 | 149.2 | 70.9 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 774 | S | 31.6 | Very low | 31.9 | Very low | 113 Ų | 113 | 136 Ų | 136 | 79% | 0.79 | 78% | 0.78 | S | S | * | * | cis | 177.1 | -177.4 | 45.1 | 68.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 775 | V | 29.1 | Very low | 31.5 | Very low | 140 Ų | 140 | 135.7 Ų | 135.7 | 85% | 0.848 | 79% | 0.787 | S | S | * | * | cis | -158.3 | -179.6 | -7.7 | 100.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 776 | S | 26.9 | Very low | 31.1 | Very low | 103 Ų | 103 | 136.4 Ų | 136.4 | 72% | 0.72 | 78% | 0.78 | S | S | * | * | trans | -143.7 | 176.9 | -175 | 58.3 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 777 | I | 30.3 | Very low | 30.7 | Very low | 162 Ų | 162 | 136.1 Ų | 136.1 | 83% | 0.831 | 78% | 0.777 | S | S | * | * | trans | -169.1 | 146.8 | 152.7 | -100.9 | 151.3 | 0 | 0 | 0 | 111.5 | ||||
| 778 | N | 27.8 | Very low | 30.5 | Very low | 151 Ų | 151 | 134.3 Ų | 134.3 | 81% | 0.807 | 77% | 0.773 | S | S | * | * | trans | -123.2 | 168.5 | -179.5 | -79.7 | -28 | 0 | 0 | 0 | 111.8 | ||||
| 779 | H | 33.6 | Very low | 30.3 | Very low | 190 Ų | 190 | 134.4 Ų | 134.4 | 88% | 0.88 | 77% | 0.769 | S | S | * | * | trans | -147.2 | 136.4 | 153.9 | -110.3 | -73.2 | 0 | 0 | 0 | 112.9 | ||||
| 780 | N | 26.5 | Very low | 30.3 | Very low | 157 Ų | 157 | 137.7 Ų | 137.7 | 84% | 0.84 | 78% | 0.775 | S | S | * | * | trans | -108.8 | 160.6 | 179.4 | -82.1 | -22.9 | 0 | 0 | 0 | 112.2 | ||||
| 781 | G | 30.5 | Very low | 30.3 | Very low | 78 Ų | 78 | 133.9 Ų | 133.9 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | trans | -153.1 | 136.3 | 163.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 782 | Q | 26.8 | Very low | 30.4 | Very low | 178 Ų | 178 | 131 Ų | 131 | 83% | 0.832 | 76% | 0.756 | S | S | * | * | trans | -123.9 | -176.3 | -171 | -66.7 | -179.2 | -59.1 | 0 | 0 | 112.4 | ||||
| 783 | L | 30 | Very low | 30.2 | Very low | 164 Ų | 164 | 132.2 Ų | 132.2 | 86% | 0.859 | 76% | 0.759 | S | S | * | * | trans | 90.8 | 144.2 | 163.2 | -55.3 | 157 | 0 | 0 | 0 | 116.3 | ||||
| 784 | S | 27.9 | Very low | 30.3 | Very low | 86 Ų | 86 | 134.3 Ų | 134.3 | 60% | 0.601 | 76% | 0.761 | S | S | * | * | cis | -177.6 | 159.1 | -29.5 | 48 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 785 | S | 31.7 | Very low | 30.3 | Very low | 113 Ų | 113 | 134.6 Ų | 134.6 | 79% | 0.79 | 76% | 0.758 | S | S | * | * | trans | 68.8 | 153 | 161.2 | 77.9 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 786 | S | 29.6 | Very low | 30.4 | Very low | 93 Ų | 93 | 134.3 Ų | 134.3 | 65% | 0.65 | 76% | 0.759 | S | S | * | * | cis | -174.3 | 153.1 | -21.9 | 51 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 787 | I | 30.5 | Very low | 30.5 | Very low | 144 Ų | 144 | 133.1 Ų | 133.1 | 74% | 0.738 | 76% | 0.755 | S | S | * | * | trans | 85 | 132.9 | 136.9 | -84.1 | 166.2 | 0 | 0 | 0 | 121 | ||||
| 788 | N | 32 | Very low | 30.5 | Very low | 128 Ų | 128 | 130.9 Ų | 130.9 | 68% | 0.684 | 75% | 0.752 | S | S | * | * | trans | 68.3 | 146.1 | 161.8 | -66.2 | 11.3 | 0 | 0 | 0 | 120.6 | ||||
| 789 | D | 31.8 | Very low | 30.7 | Very low | 118 Ų | 118 | 130 Ų | 130 | 63% | 0.631 | 75% | 0.754 | S | S | * | * | cis | -167 | 164.3 | -16.7 | -109.5 | -26.5 | 0 | 0 | 0 | 112.4 | ||||
| 790 | N | 33.6 | Very low | 30.6 | Very low | 152 Ų | 152 | 132.1 Ų | 132.1 | 81% | 0.813 | 75% | 0.754 | S | S | * | * | trans | 72.4 | 146.8 | 170.4 | -44.9 | -69.8 | 0 | 0 | 0 | 116.4 | ||||
| 791 | D | 32.6 | Very low | 30.9 | Very low | 114 Ų | 114 | 130 Ų | 130 | 61% | 0.61 | 75% | 0.749 | S | S | * | * | cis | -154 | 153.6 | 7.3 | -165.2 | -0.5 | 0 | 0 | 0 | 111.5 | ||||
| 792 | K | 33.2 | Very low | 31.1 | Very low | 161 Ų | 161 | 131.7 Ų | 131.7 | 70% | 0.7 | 75% | 0.746 | S | S | * | * | trans | 51.3 | 112.7 | 173.1 | -68.8 | 129.1 | -170.2 | 158.9 | 0 | 118.9 | ||||
| 793 | T | 28.2 | Very low | 31.6 | Very low | 120 Ų | 120 | 128.8 Ų | 128.8 | 74% | 0.736 | 74% | 0.742 | S | S | * | * | cis | 81.4 | 118.4 | 32.2 | 79.1 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 794 | L | 31.3 | Very low | 31.7 | Very low | 156 Ų | 156 | 127 Ų | 127 | 82% | 0.817 | 74% | 0.74 | S | S | * | * | trans | 158.6 | 79.2 | 148.4 | -88.5 | 160 | 0 | 0 | 0 | 109.4 | ||||
| 795 | T | 32.8 | Very low | 31.7 | Very low | 118 Ų | 118 | 132.6 Ų | 132.6 | 72% | 0.724 | 75% | 0.754 | S | S | * | * | 60.8 | 126 | 91.3 | 64.6 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 796 | P | 29.9 | Very low | 31.7 | Very low | 135 Ų | 135 | 135.1 Ų | 135.1 | 88% | 0.877 | 76% | 0.758 | S | S | * | * | trans | -80.6 | 169.5 | -179.7 | 35 | -36.8 | 0 | 0 | 0 | 113.9 | ||||
| 797 | A | 29 | Very low | 31.7 | Very low | 77 Ų | 77 | 136.6 Ų | 136.6 | 64% | 0.636 | 76% | 0.758 | S | S | * | * | trans | -138.7 | 157.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 798 | P | 30.8 | Very low | 31.6 | Very low | 116 Ų | 116 | 135.2 Ų | 135.2 | 75% | 0.753 | 75% | 0.752 | S | S | * | * | trans | -86.2 | 164.9 | -153.1 | 33.4 | -37.9 | 0 | 0 | 0 | 116.3 | ||||
| 799 | P | 31.4 | Very low | 31.4 | Very low | 133 Ų | 133 | 134.6 Ų | 134.6 | 86% | 0.864 | 75% | 0.749 | S | S | * | * | trans | -68.3 | 163.7 | 175.4 | 30.1 | -37.1 | 0 | 0 | 0 | 113.5 | ||||
| 800 | R | 33.3 | Very low | 31.5 | Very low | 234 Ų | 234 | 136.3 Ų | 136.3 | 88% | 0.883 | 75% | 0.753 | S | S | * | * | trans | -132.4 | 149.1 | -179.7 | -172.4 | 165.9 | -83.6 | -93.8 | -0.8 | 110.2 | ||||
| 801 | P | 31.5 | Very low | 31.4 | Very low | 111 Ų | 111 | 135.6 Ų | 135.6 | 72% | 0.721 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 165.1 | -159.6 | -20 | 34.2 | 0 | 0 | 0 | 116.5 | ||
| 802 | P | 35.2 | Very low | 31.3 | Very low | 115 Ų | 115 | 134 Ų | 134 | 75% | 0.747 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 161.6 | -178.8 | 33 | -37.1 | 0 | 0 | 0 | 114.1 | ||
| 803 | P | 37.6 | Very low | 31.3 | Very low | 116 Ų | 116 | 132.6 Ų | 132.6 | 75% | 0.753 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 160 | 168.1 | -18.9 | 33.1 | 0 | 0 | 0 | 113.5 | ||
| 804 | P | 31.8 | Very low | 31.5 | Very low | 126 Ų | 126 | 132.9 Ų | 132.9 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -81 | 151.3 | -171 | 32.5 | -36.1 | 0 | 0 | 0 | 114.5 | ||
| 805 | K | 27.2 | Very low | 31.7 | Very low | 204 Ų | 204 | 129.8 Ų | 129.8 | 89% | 0.887 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -98.1 | 120.2 | 167.9 | -64.2 | -175.1 | 179 | -173.6 | 0 | 111.1 | ||
| 806 | L | 31.5 | Very low | 31.7 | Very low | 167 Ų | 167 | 132 Ų | 132 | 87% | 0.874 | 77% | 0.769 | S | S | * | * | trans | -140.6 | 120.8 | 151.9 | -101.1 | 103.2 | 0 | 0 | 0 | 107 | ||||
| 807 | N | 29.9 | Very low | 32 | Very low | 123 Ų | 123 | 130.9 Ų | 130.9 | 66% | 0.658 | 76% | 0.762 | S | S | * | * | cis | 94.3 | 103.7 | 27.9 | -163.4 | 70.1 | 0 | 0 | 0 | 114.3 | ||||
| 808 | N | 28.3 | Very low | 32.2 | Very low | 115 Ų | 115 | 133.4 Ų | 133.4 | 62% | 0.615 | 77% | 0.77 | S | S | * | * | trans | 70.9 | 112 | 147.4 | -69.8 | 7.1 | 0 | 0 | 0 | 122.7 | ||||
| 809 | N | 29.6 | Very low | 32.5 | Very low | 116 Ų | 116 | 132.8 Ų | 132.8 | 62% | 0.62 | 77% | 0.766 | S | S | * | * | 85.6 | 155.8 | 118.6 | -59.2 | -1.5 | 0 | 0 | 0 | 123 | |||||
| 810 | H | 33.9 | Very low | 32.6 | Very low | 154 Ų | 154 | 133.6 Ų | 133.6 | 71% | 0.713 | 76% | 0.762 | S | S | * | * | trans | 90.1 | 102.8 | 145.5 | -64 | -48.5 | 0 | 0 | 0 | 121.5 | ||||
| 811 | T | 29.8 | Very low | 32.5 | Very low | 136 Ų | 136 | 131.9 Ų | 131.9 | 83% | 0.834 | 76% | 0.756 | S | S | * | * | 66.6 | 127.3 | 128.6 | 60.9 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 812 | G | 32.1 | Very low | 32.6 | Very low | 81 Ų | 81 | 132.8 Ų | 132.8 | 84% | 0.835 | 75% | 0.754 | S | S | * | * | trans | -167.3 | 67.5 | 174 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 813 | V | 31.8 | Very low | 32.5 | Very low | 131 Ų | 131 | 131.2 Ų | 131.2 | 79% | 0.794 | 75% | 0.746 | S | S | * | * | trans | -50.6 | 141.4 | -172.2 | -164.2 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 814 | T | 33.1 | Very low | 32.2 | Very low | 127 Ų | 127 | 134.1 Ų | 134.1 | 78% | 0.779 | 75% | 0.747 | S | S | * | * | trans | 141.2 | 157.2 | 139.8 | 50 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 815 | S | 34.5 | Very low | 32.2 | Very low | 90 Ų | 90 | 134.7 Ų | 134.7 | 63% | 0.629 | 74% | 0.739 | S | S | * | * | cis | -169.4 | 119.3 | -45.9 | 51.9 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 816 | L | 34.4 | Very low | 32.3 | Very low | 164 Ų | 164 | 130.5 Ų | 130.5 | 86% | 0.859 | 73% | 0.726 | S | S | * | * | trans | 65.1 | 164.6 | 147.9 | -86.8 | 73 | 0 | 0 | 0 | 120.2 | ||||
| 817 | P | 35.2 | Very low | 32.2 | Very low | 112 Ų | 112 | 128.4 Ų | 128.4 | 73% | 0.727 | 72% | 0.715 | S | S | * | * | cis | -133.7 | 164 | -21.4 | 34.4 | -15.7 | 0 | 0 | 0 | 116.8 | ||||
| 818 | T | 33.6 | Very low | 32.2 | Very low | 130 Ų | 130 | 129.4 Ų | 129.4 | 80% | 0.798 | 72% | 0.721 | S | S | * | * | trans | -63.7 | 179.4 | 157.5 | 20.4 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 819 | P | 36.2 | Very low | 32.3 | Very low | 103 Ų | 103 | 129.1 Ų | 129.1 | 67% | 0.669 | 73% | 0.728 | S | S | * | * | -164.2 | -167.9 | 51.3 | 40.1 | -12.3 | 0 | 0 | 0 | 121 | |||||
| 820 | L | 33.8 | Very low | 32.3 | Very low | 151 Ų | 151 | 128.1 Ų | 128.1 | 79% | 0.791 | 73% | 0.73 | S | S | * | * | trans | 84.3 | 142.8 | 157.6 | -61.6 | 173.7 | 0 | 0 | 0 | 118.8 | ||||
| 821 | R | 32.5 | Very low | 32.1 | Very low | 198 Ų | 198 | 129 Ų | 129 | 75% | 0.747 | 73% | 0.732 | S | S | * | * | cis | -173.1 | 140 | -8.6 | 175 | -177.8 | -162.7 | -174.5 | 4.7 | 113.8 | ||||
| 822 | N | 32.5 | Very low | 32.1 | Very low | 130 Ų | 130 | 129.6 Ų | 129.6 | 70% | 0.695 | 73% | 0.725 | S | S | * | * | trans | 65.9 | 158.1 | 154.9 | -76.9 | 20.8 | 0 | 0 | 0 | 121.4 | ||||
| 823 | S | 33.5 | Very low | 32 | Very low | 81 Ų | 81 | 132.6 Ų | 132.6 | 57% | 0.566 | 72% | 0.72 | S | S | * | * | cis | -177.9 | 143.8 | -24.5 | 56.3 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 824 | K | 30.6 | Very low | 31.9 | Very low | 178 Ų | 178 | 130.5 Ų | 130.5 | 77% | 0.774 | 71% | 0.711 | S | S | * | * | trans | 64.1 | 159.1 | 138.3 | -71.9 | 179.1 | 167.4 | -155.1 | 0 | 118.4 | ||||
| 825 | Q | 32 | Very low | 31.7 | Very low | 138 Ų | 138 | 135.4 Ų | 135.4 | 65% | 0.645 | 72% | 0.715 | S | S | * | * | cis | -157.9 | 153.3 | 3 | -127.9 | 166.9 | -57 | 0 | 0 | 110.6 | ||||
| 826 | N | 28.6 | Very low | 31.5 | Very low | 115 Ų | 115 | 138.9 Ų | 138.9 | 62% | 0.615 | 72% | 0.722 | S | S | * | * | 35.4 | 150.7 | 125.8 | -65.7 | 51.6 | 0 | 0 | 0 | 121.5 | |||||
| 827 | D | 31.1 | Very low | 31.4 | Very low | 123 Ų | 123 | 137.5 Ų | 137.5 | 66% | 0.658 | 71% | 0.711 | S | S | * | * | cis | -163.2 | 162.1 | -0.8 | -96.9 | -16.1 | 0 | 0 | 0 | 111.8 | ||||
| 828 | D | 29.3 | Very low | 31.1 | Very low | 144 Ų | 144 | 139.7 Ų | 139.7 | 77% | 0.77 | 71% | 0.711 | S | S | * | * | trans | 45.1 | 140.5 | 143.9 | -78.9 | -28.2 | 0 | 0 | 0 | 126.4 | ||||
| 829 | S | 31 | Very low | 30.9 | Very low | 110 Ų | 110 | 141 Ų | 141 | 77% | 0.769 | 71% | 0.713 | S | S | * | * | trans | 75.2 | 158.1 | 140.3 | 82.2 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 830 | S | 28.5 | Very low | 30.7 | Very low | 95 Ų | 95 | 145 Ų | 145 | 66% | 0.664 | 72% | 0.722 | S | S | * | * | cis | -165 | 134.3 | -27.3 | -108 | 0 | 0 | 0 | 0 | 112 | ||||
| 831 | K | 29.2 | Very low | 30.3 | Very low | 171 Ų | 171 | 146.9 Ų | 146.9 | 74% | 0.743 | 73% | 0.729 | S | S | * | * | trans | 64.3 | 162.3 | 147.3 | -58.2 | 175.8 | 179.2 | 177.2 | 0 | 120.7 | ||||
| 832 | H | 31.2 | Very low | 30 | Very low | 150 Ų | 150 | 140.9 Ų | 140.9 | 69% | 0.694 | 73% | 0.729 | S | S | * | * | trans | 75.3 | 110.4 | 156.5 | -64.7 | -43.9 | 0 | 0 | 0 | 118.2 | ||||
| 833 | I | 30.3 | Very low | 29.9 | Very low | 143 Ų | 143 | 142.7 Ų | 142.7 | 73% | 0.733 | 74% | 0.737 | S | S | * | * | 83.4 | 130.3 | 78.7 | -78.3 | -176.6 | 0 | 0 | 0 | 111.3 | |||||
| 834 | S | 29.7 | Very low | 29.6 | Very low | 87 Ų | 87 | 142.3 Ų | 142.3 | 61% | 0.608 | 75% | 0.746 | S | S | * | * | cis | -173.5 | 158.4 | -11.6 | -98.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 835 | R | 27.2 | Very low | 29.5 | Very low | 230 Ų | 230 | 141.3 Ų | 141.3 | 87% | 0.868 | 75% | 0.748 | S | S | * | * | trans | 73.2 | 160.4 | 146.1 | -76.2 | 168.5 | 176.6 | -176.6 | -1.2 | 119.8 | ||||
| 836 | Q | 30.2 | Very low | 29.4 | Very low | 163 Ų | 163 | 139.7 Ų | 139.7 | 76% | 0.762 | 75% | 0.749 | S | S | * | * | trans | 69.8 | 119.2 | 169.5 | -71.1 | 174.9 | -96.2 | 0 | 0 | 116.1 | ||||
| 837 | H | 33.4 | Very low | 29.5 | Very low | 136 Ų | 136 | 140.1 Ų | 140.1 | 63% | 0.63 | 76% | 0.759 | S | S | * | * | cis | -136.4 | 137.3 | -0.1 | -86.8 | -82.3 | 0 | 0 | 0 | 108.7 | ||||
| 838 | Q | 29 | Very low | 29.4 | Very low | 157 Ų | 157 | 139.6 Ų | 139.6 | 73% | 0.734 | 76% | 0.76 | S | S | * | * | 55.9 | 123.5 | 80.6 | -74 | 178 | -20.9 | 0 | 0 | 113.3 | |||||
| 839 | L | 28.4 | Very low | 29.2 | Very low | 159 Ų | 159 | 137.8 Ų | 137.8 | 83% | 0.832 | 76% | 0.756 | S | S | * | * | cis | -136.7 | 167.6 | 0.5 | -55.3 | 91.8 | 0 | 0 | 0 | 108.2 | ||||
| 840 | E | 32 | Very low | 29 | Very low | 186 Ų | 186 | 141.9 Ų | 141.9 | 87% | 0.869 | 76% | 0.76 | S | S | * | * | cis | -126.8 | 164.1 | 12.4 | -63.4 | 175 | 113 | 0 | 0 | 111.8 | ||||
| 841 | M | 27 | Very low | 28.9 | Very low | 191 Ų | 191 | 143.2 Ų | 143.2 | 94% | 0.941 | 76% | 0.764 | S | S | * | * | trans | -119.1 | 165.1 | 179.4 | -49.3 | -173.1 | -55.4 | 0 | 0 | 109.1 | ||||
| 842 | G | 26.1 | Very low | 29.3 | Very low | 71 Ų | 71 | 143.1 Ų | 143.1 | 73% | 0.732 | 77% | 0.766 | S | S | * | * | cis | 173.9 | -171 | 5.2 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 843 | I | 30 | Very low | 29.8 | Very low | 168 Ų | 168 | 143.2 Ų | 143.2 | 86% | 0.862 | 77% | 0.768 | S | S | * | * | cis | -136.8 | 128.3 | -6.2 | -62.8 | 173.8 | 0 | 0 | 0 | 105.1 | L845 | I843-L845 PolarHBondContact O-N 3.07Š| ||
| 844 | G | 27.2 | Very low | 31.1 | Very low | 73 Ų | 73 | 138.5 Ų | 138.5 | 75% | 0.753 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 118.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 845 | L | 28.4 | Very low | 33.2 | Very low | 158 Ų | 158 | 134.8 Ų | 134.8 | 83% | 0.827 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 146.1 | 158.4 | -76.6 | 168.7 | 0 | 0 | 0 | 109.2 | I843 | I843-L845 PolarHBondContact O-N 3.07Š|
| 846 | P | 28.7 | Very low | 35.8 | Very low | 103 Ų | 103 | 126.8 Ų | 126.8 | 67% | 0.669 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -58 | 149.9 | 174.3 | 26.3 | -34.6 | 0 | 0 | 0 | 110.2 | T848 | P846-T848 PolarHBondContact O-N 2.75Š|
| 847 | P | 31.7 | Very low | 38.5 | Very low | 125 Ų | 125 | 121 Ų | 121 | 81% | 0.812 | 68% | 0.681 | S | S | * | * | trans | -59.8 | 107.7 | -174.9 | 24.3 | -33.9 | 0 | 0 | 0 | 110.1 | ||||
| 848 | T | 28.2 | Very low | 41 | Very low | 112 Ų | 112 | 116.9 Ų | 116.9 | 69% | 0.687 | 66% | 0.662 | S | S | * | * | trans | -55.8 | 128.4 | 175.6 | -33.7 | 0 | 0 | 0 | 0 | 107.8 | P846 | P846-T848 PolarHBondContact O-N 2.75Š| ||
| 849 | P | 25.3 | Very low | 43.9 | Very low | 105 Ų | 105 | 113.1 Ų | 113.1 | 68% | 0.682 | 65% | 0.645 | S | S | * | * | trans | -52.8 | 149.7 | -177 | -29.3 | 35.7 | 0 | 0 | 0 | 112 | V851 | P849-V851 PolarHBondContact O-N 3.1Š| ||
| 850 | K | 27.3 | Very low | 46.7 | Very low | 197 Ų | 197 | 106.3 Ų | 106.3 | 86% | 0.857 | 61% | 0.609 | S | S | * | * | trans | -67.8 | 84.5 | 168.4 | -73.2 | -171.5 | 177.2 | -174 | 0 | 109 | H852 | K850-H852 VanDerWaalsContact C-N 3.34Å; K850-H852 PolarHBondContact O-N 2.81Å; K850-H852 PolarHBondContact O-ND1 2.86Å | ||
| 851 | V | 27.3 | Very low | 49.3 | Very low | 122 Ų | 122 | 97.8 Ų | 97.8 | 74% | 0.739 | 57% | 0.569 | S | S | * | * | trans | -65.1 | 99.8 | 165.8 | -173.9 | 0 | 0 | 0 | 0 | 106.1 | P849 M853 | P849-V851 PolarHBondContact O-N 3.1Å; V851-M853 PolarHBondContact O-N 2.99Å | ||
| 852 | H | 37.3 | Very low | 52.2 | Low | 170 Ų | 170 | 94.2 Ų | 94.2 | 79% | 0.787 | 55% | 0.55 | S | S | * | . | trans | -54.6 | 126.9 | 158.5 | -60.7 | 81.7 | 0 | 0 | 0 | 105.6 | K850 G854 | K850-H852 VanDerWaalsContact C-N 3.34Å; K850-H852 PolarHBondContact O-N 2.81Å; K850-H852 PolarHBondContact O-ND1 2.86Å; H852-G854 PolarHBondContact O-N 2.95Å | ||
| 853 | M | 42.2 | Very low | 55.1 | Low | 151 Ų | 151 | 92.1 Ų | 92.1 | 74% | 0.744 | 53% | 0.529 | S | S | * | . | trans | -70.6 | 89.3 | 171.8 | -68.3 | -144.7 | -50.5 | 0 | 0 | 107.4 | V851 | V851-M853 PolarHBondContact O-N 2.99Š| ||
| 854 | G | 57.3 | Low | 57.8 | Low | 45 Ų | 45 | 84.2 Ų | 84.2 | 46% | 0.464 | 49% | 0.488 | S | S | . | . | trans | -57.2 | 143.2 | 162.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | H852 | H852-G854 PolarHBondContact O-N 2.95Š| ||
| 855 | A | 72.4 | Confident | 60.7 | Low | 9 Ų | 9 | 84.2 Ų | 84.2 | 7% | 0.074 | 48% | 0.475 | C | S | . | . | trans | -62.8 | 151.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | I1152 L1187 V1188 H1190 | A855-I1152 VanDerWaalsContact O-CD1 3.24Å; A855-I1152 WeakPolarHBondContact O-CD1 3.39Å; A855-L1187 HydrophobicContact CB-CD1 3.57Å; A855-L1187 HydrophobicContact CB-CD2 4.09Å; A855-L1187 HydrophobicContact CB-CG 3.77Å; A855-V1188 CarbonylContact C-O 3.59Å; A855-V1188 WeakPolarHBondContact CA-O 3.44Å; A855-V1188 WeakPolarHBondContact CB-O 3.27Å; A855-H1190 HydrophobicContact CB-CB 4.01Å | ||
| 856 | C | 81.5 | Confident | 63.7 | Low | 62 Ų | 62 | 77.1 Ų | 77.1 | 42% | 0.419 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 150 | -179.4 | 64.2 | 0 | 0 | 0 | 0 | 110.9 | V1188 | C856-V1188 PolarHBondContact N-O 3.29Å; C856-V1188 PolarHBondContact O-N 2.67Å |
| 857 | F | 87.9 | Confident | 66.6 | Low | 42 Ų | 42 | 77.4 Ų | 77.4 | 18% | 0.184 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 123.8 | 174 | -63.4 | -54.8 | 0 | 0 | 0 | 110.6 | F1134 L1139 I1152 Y1159 V1170 L1185 L1187 | F857-F1134 HydrophobicContact CE1-CE1 4.35Å; F857-F1134 HydrophobicContact CZ-CE1 4.49Å; F857-L1139 HydrophobicContact CE1-CD2 3.97Å; F857-L1139 HydrophobicContact CZ-CD2 3.84Å; F857-L1139 HydrophobicContact CZ-CG 4.46Å; F857-I1152 HydrophobicContact CD2-CG2 4.24Å; F857-I1152 HydrophobicContact CE2-CD1 4.23Å; F857-I1152 HydrophobicContact CE2-CG2 3.82Å; F857-I1152 HydrophobicContact CZ-CD1 4.35Å; F857-Y1159 HydrophobicContact CD2-CD1 4.06Å; F857-Y1159 AromaticContact CD2-CE1 3.43Å; F857-Y1159 HydrophobicContact CD2-CE1 3.43Å; F857-Y1159 VanDerWaalsContact CD2-CE1 3.43Å; F857-Y1159 AromaticContact CD2-CZ 3.94Å; F857-Y1159 AromaticContact CE2-CD1 3.65Å; F857-Y1159 HydrophobicContact CE2-CD1 3.65Å; F857-Y1159 AromaticContact CE2-CE1 3.39Å; F857-Y1159 HydrophobicContact CE2-CE1 3.39Å; F857-Y1159 HydrophobicContact CE2-CE2 4.41Å; F857-Y1159 HydrophobicContact CE2-CG 4.28Å; F857-Y1159 AromaticContact CE2-CZ 3.8Å; F857-Y1159 HydrophobicContact CG-CE1 4.21Å; F857-Y1159 AromaticContact CZ-CD1 3.96Å; F857-Y1159 HydrophobicContact CZ-CD1 3.96Å; F857-Y1159 HydrophobicContact CZ-CE1 4.15Å; F857-Y1159 HydrophobicContact CZ-CG 4.48Å; F857-V1170 HydrophobicContact CE1-CB 4.36Å; F857-V1170 HydrophobicContact CE1-CG1 4.3Å; F857-V1170 HydrophobicContact CE1-CG2 4.05Å; F857-L1185 HydrophobicContact CB-CB 4.34Å; F857-L1185 HydrophobicContact CB-CD1 4.01Å; F857-L1185 HydrophobicContact CB-CD2 4.49Å; F857-L1185 HydrophobicContact CD1-CD1 4.36Å; F857-L1185 HydrophobicContact CG-CD1 4.07Å; F857-L1187 HydrophobicContact CD1-CB 4.41Å; F857-L1187 HydrophobicContact CD1-CD1 3.83Å; F857-L1187 HydrophobicContact CE1-CB 4.47Å; F857-L1187 HydrophobicContact CE1-CD1 3.78Å |
| 858 | M | 86.5 | Confident | 69.5 | Low | 49 Ų | 49 | 71.5 Ų | 71.5 | 24% | 0.241 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 115.8 | 175.5 | -179.9 | -176 | -69.1 | 0 | 0 | 109.3 | Y743 I860 L1185 I1186 V1188 | Y743-M858 HydrophobicContact CD2-CE 4.29Å; Y743-M858 HydrophobicContact CD2-SD 4.21Å; Y743-M858 HydrophobicContact CG-SD 4.38Å; M858-I860 PolarHBondContact O-N 3.03Å; M858-L1185 CarbonylContact O-C 3.44Å; M858-L1185 VanDerWaalsContact O-CA 3.3Å; M858-L1185 WeakPolarHBondContact O-CA 3.33Å; M858-I1186 PolarHBondContact N-O 3.14Å; M858-I1186 PolarHBondContact O-N 3.14Å; M858-V1188 HydrophobicContact CB-CG2 3.99Å; M858-V1188 HydrophobicContact CE-CB 4.3Å; M858-V1188 HydrophobicContact CE-CG1 4.2Å; M858-V1188 HydrophobicContact CE-CG2 3.94Å; M858-V1188 HydrophobicContact SD-CG2 4.17Å |
| 859 | Q | 88.7 | Confident | 72.6 | Confident | 77 Ų | 77 | 66.6 Ų | 66.6 | 36% | 0.36 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 125.5 | 178.3 | -172.3 | 167.5 | -74.4 | 0 | 0 | 111.6 | E862 N1183 L1185 | Q859-E862 PolarHBondContact NE2-OE2 3.45Å; Q859-N1183 HydrophobicContact CG-CB 4.49Å; Q859-N1183 VanDerWaalsContact OE1-CG 3.26Å; Q859-N1183 PolarHBondContact OE1-ND2 3.4Å; Q859-N1183 VanDerWaalsContact OE1-ND2 3.15Å; Q859-L1185 HydrophobicContact CB-CD2 3.83Å; Q859-L1185 HydrophobicContact CG-CD2 4.17Å |
| 860 | I | 88.2 | Confident | 75.8 | Confident | 17 Ų | 17 | 61.7 Ų | 61.7 | 9% | 0.087 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | -16.9 | 178.3 | 55.6 | 161.1 | 0 | 0 | 0 | 113.3 | M858 I884 F886 L895 L897 L1184 I1186 | M858-I860 PolarHBondContact O-N 3.03Å; I860-I884 HydrophobicContact CD1-CD1 3.86Å; I860-F886 HydrophobicContact CD1-CZ 4.19Å; I860-L895 HydrophobicContact CB-CD2 4.12Å; I860-L895 HydrophobicContact CD1-CD2 4.12Å; I860-L895 HydrophobicContact CG1-CD2 4.44Å; I860-L897 HydrophobicContact CG2-CD2 4.29Å; I860-L1184 HydrophobicContact CD1-CB 4.37Å; I860-L1184 HydrophobicContact CG1-CB 4.03Å; I860-L1184 VanDerWaalsContact CG1-O 3.22Å; I860-L1184 WeakPolarHBondContact CG1-O 3.35Å; I860-L1184 PolarHBondContact N-O 3.3Å; I860-I1186 HydrophobicContact CD1-CD1 4.14Å; I860-I1186 HydrophobicContact CD1-CG1 3.85Å; I860-I1186 HydrophobicContact CG1-CG1 4.27Å; I860-I1186 HydrophobicContact CG2-CD1 3.69Å; I860-I1186 HydrophobicContact CG2-CG1 3.84Å |
| 861 | F | 86.8 | Confident | 79.1 | Confident | 6 Ų | 6 | 52.9 Ų | 52.9 | 3% | 0.026 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 138.4 | 172.7 | -160.9 | -82.5 | 0 | 0 | 0 | 109.7 | I557 L559 C864 G903 L905 N1183 L1184 | I557-F861 HydrophobicContact CG2-CZ 4.11Å; L559-F861 HydrophobicContact CD2-CE1 4.29Å; L559-F861 HydrophobicContact CD2-CZ 4.38Å; L559-F861 HydrophobicContact CG-CZ 4.46Å; F861-C864 HydrophobicContact CD1-CB 3.75Å; F861-C864 HydrophobicContact CE1-CB 4.05Å; F861-G903 WeakPolarHBondContact CE2-O 3.3Å; F861-L905 HydrophobicContact CD1-CD1 4.13Å; F861-L905 HydrophobicContact CD2-CD1 3.8Å; F861-L905 HydrophobicContact CD2-CG 3.76Å; F861-L905 HydrophobicContact CE1-CD1 4.1Å; F861-L905 HydrophobicContact CE2-CB 4.19Å; F861-L905 HydrophobicContact CE2-CD1 3.75Å; F861-L905 HydrophobicContact CE2-CG 3.64Å; F861-L905 HydrophobicContact CG-CD1 4Å; F861-L905 HydrophobicContact CG-CG 4.42Å; F861-L905 HydrophobicContact CZ-CD1 3.92Å; F861-L905 HydrophobicContact CZ-CG 4.24Å; F861-N1183 WeakPolarHBondContact O-CA 3.39Å; F861-L1184 HydrophobicContact CB-CB 3.89Å; F861-L1184 HydrophobicContact CB-CD1 3.89Å; F861-L1184 HydrophobicContact CB-CG 4.03Å; F861-L1184 HydrophobicContact CG-CD1 4.37Å; F861-L1184 PolarHBondContact N-O 3.44Å; F861-L1184 PolarHBondContact O-N 3.44Å |
| 862 | E | 87.7 | Confident | 82.3 | Confident | 116 Ų | 116 | 47.3 Ų | 47.3 | 54% | 0.542 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 138.2 | 178.2 | -165.3 | 179.3 | 128.9 | 0 | 0 | 110.5 | L559 Q859 C864 N1183 | L559-E862 HydrophobicContact CD2-CB 3.81Å; L559-E862 VanDerWaalsContact CD2-O 3.26Å; L559-E862 WeakPolarHBondContact CD2-O 3.4Å; Q859-E862 PolarHBondContact NE2-OE2 3.45Å; E862-C864 PolarHBondContact O-N 3.36Å; E862-N1183 WeakPolarHBondContact CA-OD1 3.29Å |
| 863 | G | 86.2 | Confident | 85 | Confident | 28 Ų | 28 | 39.9 Ų | 39.9 | 29% | 0.289 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 59.3 | 41.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | P865 N1181 N1183 | G863-P865 WeakPolarHBondContact O-CD 3.35Å; G863-N1181 VanDerWaalsContact C-CB 3.43Å; G863-N1181 WeakPolarHBondContact O-CB 3.41Å; G863-N1181 PolarHBondContact O-ND2 3Å; G863-N1183 PolarHBondContact N-OD1 2.96Å |
| 864 | C | 87.7 | Confident | 87.4 | Confident | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.007 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 119.9 | 174.7 | -170.9 | 0 | 0 | 0 | 0 | 111.8 | F861 E862 L866 N1181 S1182 L1184 | F861-C864 HydrophobicContact CD1-CB 3.75Å; F861-C864 HydrophobicContact CE1-CB 4.05Å; E862-C864 PolarHBondContact O-N 3.36Å; C864-L866 VanDerWaalsContact C-N 3.3Å; C864-L866 PolarHBondContact O-N 2.71Å; C864-N1181 CarbonylContact O-C 3.58Å; C864-N1181 WeakPolarHBondContact O-CA 3.48Å; C864-N1181 WeakPolarHBondContact O-CB 3.19Å; C864-S1182 WeakPolarHBondContact CA-O 3.17Å; C864-S1182 WeakPolarHBondContact CB-O 3.45Å; C864-S1182 PolarHBondContact N-O 3.09Å; C864-S1182 PolarHBondContact O-N 2.97Å; C864-L1184 HydrophobicContact CB-CD1 4.13Å; C864-L1184 HydrophobicContact CB-CD2 4.33Å; C864-L1184 HydrophobicContact CB-CG 4Å |
| 865 | P | 87.8 | Confident | 89 | Confident | 73 Ų | 73 | 33.7 Ų | 33.7 | 47% | 0.474 | 18% | 0.184 | S | C | . | . | trans | -83.6 | -3.4 | 177.5 | 35 | -36.2 | 0 | 0 | 0 | 113.2 | I557 G863 | I557-P865 HydrophobicContact CD1-CG 4.3Å; I557-P865 HydrophobicContact CG2-CG 4.13Å; G863-P865 WeakPolarHBondContact O-CD 3.35Å | ||
| 866 | L | 90.4 | Very high | 89.7 | Confident | 9 Ų | 9 | 33.9 Ų | 33.9 | 5% | 0.047 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -85.9 | 129.6 | -174.8 | -62.3 | 173.4 | 0 | 0 | 0 | 111.2 | I557 C864 V868 T888 Y893 L905 | I557-L866 HydrophobicContact CD1-CD1 3.85Å; I557-L866 HydrophobicContact CD1-CD2 3.62Å; I557-L866 HydrophobicContact CD1-CG 3.69Å; C864-L866 VanDerWaalsContact C-N 3.3Å; C864-L866 PolarHBondContact O-N 2.71Å; L866-V868 PolarHBondContact O-N 3.43Å; L866-T888 HydrophobicContact CB-CG2 4.03Å; L866-T888 HydrophobicContact CD1-CG2 4.06Å; L866-Y893 HydrophobicContact CD1-CD1 4.08Å; L866-Y893 HydrophobicContact CD1-CD2 3.48Å; L866-Y893 VanDerWaalsContact CD1-CD2 3.48Å; L866-Y893 HydrophobicContact CD1-CE1 4.15Å; L866-Y893 HydrophobicContact CD1-CE2 3.55Å; L866-Y893 HydrophobicContact CD1-CG 3.75Å; L866-Y893 HydrophobicContact CD2-CD2 4.46Å; L866-Y893 HydrophobicContact CD2-CE2 3.7Å; L866-Y893 HydrophobicContact CG-CE2 4.29Å; L866-L905 HydrophobicContact CD1-CD1 4.31Å |
| 867 | K | 90.5 | Very high | 89.9 | Confident | 109 Ų | 109 | 34.1 Ų | 34.1 | 47% | 0.474 | 19% | 0.185 | S | C | . | . | trans | -71.5 | 96.6 | 165.4 | -177.1 | 153.1 | -177.7 | 164.2 | 0 | 109.8 | T888 N889 | K867-T888 VanDerWaalsContact O-CA 3.31Å; K867-T888 WeakPolarHBondContact O-CA 3.46Å; K867-T888 WeakPolarHBondContact O-CB 3.39Å; K867-N889 PolarHBondContact O-N 3.15Å | ||
| 868 | V | 92.9 | Very high | 89.7 | Confident | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.006 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 124.5 | 175.5 | -172.6 | 0 | 0 | 0 | 0 | 110.2 | L866 T871 F886 T888 R1160 L1162 L1184 | L866-V868 PolarHBondContact O-N 3.43Å; V868-T871 HydrophobicContact CG1-CG2 3.88Å; V868-F886 HydrophobicContact CG1-CB 4.44Å; V868-F886 HydrophobicContact CG1-CD1 4.14Å; V868-F886 HydrophobicContact CG2-CD1 4.29Å; V868-T888 HydrophobicContact CG2-CG2 4.11Å; V868-R1160 PolarHBondContact O-NH2 2.88Å; V868-L1162 HydrophobicContact CB-CD1 4.12Å; V868-L1162 HydrophobicContact CB-CD2 3.94Å; V868-L1162 HydrophobicContact CG1-CD1 3.98Å; V868-L1162 HydrophobicContact CG1-CD2 3.98Å; V868-L1162 HydrophobicContact CG1-CG 4.42Å; V868-L1162 HydrophobicContact CG2-CD1 4.47Å; V868-L1184 HydrophobicContact CG2-CD2 4.32Å |
| 869 | N | 92.8 | Very high | 89.4 | Confident | 10 Ų | 10 | 38.2 Ų | 38.2 | 5% | 0.053 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | -35.3 | -178.6 | -67 | -35.3 | 0 | 0 | 0 | 112 | L383 G887 N889 C913 | L383-N869 HydrophobicContact CD1-CB 3.57Å; N869-G887 WeakPolarHBondContact CB-O 3.2Å; N869-G887 PolarHBondContact N-O 3.21Å; N869-N889 PolarHBondContact ND2-N 3.14Å; N869-N889 PolarHBondContact ND2-OD1 3.19Å; N869-C913 PolarHBondContact ND2-O 3Å |
| 870 | S | 93.2 | Very high | 89.2 | Confident | 2 Ų | 2 | 39.9 Ų | 39.9 | 1% | 0.014 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.1 | 150.6 | -178.3 | 61.6 | 0 | 0 | 0 | 0 | 111.5 | G887 W915 L916 | S870-G887 PolarHBondContact N-O 2.68Å; S870-G887 PolarHBondContact O-N 2.95Å; S870-W915 WeakPolarHBondContact OG-CA 3.46Å; S870-L916 PolarHBondContact OG-N 3.26Å |
| 871 | T | 95.8 | Very high | 89 | Confident | 11 Ų | 11 | 39.2 Ų | 39.2 | 7% | 0.067 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 151.7 | 171.7 | 56.9 | 0 | 0 | 0 | 0 | 113.6 | V868 I884 L885 F886 L1162 G1163 V1169 | V868-T871 HydrophobicContact CG1-CG2 3.88Å; T871-I884 HydrophobicContact CG2-CG2 4.45Å; T871-L885 VanDerWaalsContact CA-O 3.24Å; T871-L885 WeakPolarHBondContact CA-O 3.37Å; T871-F886 HydrophobicContact CG2-CD1 3.39Å; T871-F886 HydrophobicContact CG2-CE1 3.76Å; T871-F886 HydrophobicContact CG2-CG 4.19Å; T871-L1162 HydrophobicContact CG2-CB 3.95Å; T871-L1162 HydrophobicContact CG2-CD1 4.46Å; T871-L1162 PolarHBondContact N-O 3.48Å; T871-L1162 VanDerWaalsContact N-O 3.09Å; T871-L1162 PolarHBondContact OG1-O 2.84Å; T871-G1163 WeakPolarHBondContact OG1-CA 3.42Å; T871-G1163 PolarHBondContact OG1-N 3.43Å; T871-V1169 HydrophobicContact CG2-CG1 4.26Å |
| 872 | A | 94.8 | Very high | 89 | Confident | 5 Ų | 5 | 41 Ų | 41 | 4% | 0.041 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 161.4 | 165.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L885 L916 V918 | A872-L885 PolarHBondContact N-O 3.26Å; A872-L885 VanDerWaalsContact N-O 3.1Å; A872-L885 PolarHBondContact O-N 2.97Å; A872-L916 HydrophobicContact CB-CD1 3.45Å; A872-L916 VanDerWaalsContact CB-CD1 3.45Å; A872-V918 HydrophobicContact CB-CG2 4.02Å |
| 873 | T | 92.9 | Very high | 89.1 | Confident | 15 Ų | 15 | 35.8 Ų | 35.8 | 9% | 0.092 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 139.3 | 179.6 | 42.4 | 0 | 0 | 0 | 0 | 112 | I884 D1165 R1166 N1167 | T873-I884 HydrophobicContact CG2-CG1 4.36Å; T873-D1165 PolarHBondContact OG1-OD2 3.35Å; T873-R1166 HydrophobicContact CG2-CB 4.33Å; T873-R1166 WeakPolarHBondContact OG1-CB 3.27Å; T873-N1167 HydrophobicContact CG2-CB 3.76Å |
| 874 | W | 93.6 | Very high | 89.5 | Confident | 12 Ų | 12 | 34.5 Ų | 34.5 | 5% | 0.045 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 145 | 169.9 | 179.6 | 54.8 | 0 | 0 | 0 | 109.5 | N876 I883 L885 V918 K920 D921 L938 I939 M942 | W874-N876 HydrophobicContact CE3-CB 4.25Å; W874-N876 HydrophobicContact CH2-CB 3.77Å; W874-N876 WeakPolarHBondContact CH2-OD1 3.5Å; W874-N876 HydrophobicContact CZ2-CB 4.21Å; W874-N876 HydrophobicContact CZ3-CB 3.8Å; W874-I883 HydrophobicContact CE3-CB 4.44Å; W874-I883 HydrophobicContact CE3-CD1 3.92Å; W874-I883 HydrophobicContact CZ3-CD1 3.93Å; W874-I883 PolarHBondContact N-O 2.89Å; W874-I883 PolarHBondContact O-N 3.03Å; W874-I883 VanDerWaalsContact O-O 3.13Å; W874-L885 HydrophobicContact CB-CD1 4.11Å; W874-V918 HydrophobicContact CB-CG1 4.14Å; W874-V918 HydrophobicContact CG-CG1 4.2Å; W874-K920 PolarHBondContact NE1-O 3.17Å; W874-D921 PolarHBondContact NE1-OD1 2.99Å; W874-L938 HydrophobicContact CB-CD1 4.06Å; W874-L938 HydrophobicContact CD2-CB 4.11Å; W874-L938 HydrophobicContact CD2-CD1 3.48Å; W874-L938 VanDerWaalsContact CD2-CD1 3.48Å; W874-L938 HydrophobicContact CD2-CG 4.41Å; W874-L938 HydrophobicContact CE3-CB 4.14Å; W874-L938 HydrophobicContact CE3-CD1 3.95Å; W874-L938 HydrophobicContact CG-CD1 3.52Å; W874-L938 HydrophobicContact CH2-CB 3.71Å; W874-L938 HydrophobicContact CZ2-CB 3.62Å; W874-L938 HydrophobicContact CZ2-CD1 4.44Å; W874-L938 HydrophobicContact CZ3-CB 3.96Å; W874-I939 HydrophobicContact CH2-CG1 4.41Å; W874-I939 HydrophobicContact CZ2-CG1 3.99Å; W874-M942 HydrophobicContact CH2-CG 4.21Å; W874-M942 HydrophobicContact CZ3-CG 3.98Å |
| 875 | V | 90.7 | Very high | 89.8 | Confident | 54 Ų | 54 | 34.5 Ų | 34.5 | 33% | 0.327 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 117.4 | 166.9 | -178.9 | 0 | 0 | 0 | 0 | 106.3 | P877 S881 Q882 | V875-P877 VanDerWaalsContact O-CD 3.29Å; V875-P877 WeakPolarHBondContact O-CD 3.32Å; V875-S881 WeakPolarHBondContact CA-O 3.4Å; V875-Q882 HydrophobicContact CG2-CG 4.43Å |
| 876 | N | 87 | Confident | 90.2 | Very high | 12 Ų | 12 | 31 Ų | 31 | 6% | 0.064 | 17% | 0.165 | C | C | . | . | trans | -68 | 114.2 | 179.4 | 178.6 | 10 | 0 | 0 | 0 | 109.3 | W874 E878 T879 L880 S881 I883 | W874-N876 HydrophobicContact CE3-CB 4.25Å; W874-N876 HydrophobicContact CH2-CB 3.77Å; W874-N876 WeakPolarHBondContact CH2-OD1 3.5Å; W874-N876 HydrophobicContact CZ2-CB 4.21Å; W874-N876 HydrophobicContact CZ3-CB 3.8Å; N876-E878 PolarHBondContact O-N 3.23Å; N876-E878 VanDerWaalsContact O-N 3.08Å; N876-E878 PolarHBondContact OD1-N 3.05Å; N876-T879 PolarHBondContact ND2-OG1 2.68Å; N876-T879 PolarHBondContact O-N 2.94Å; N876-L880 VanDerWaalsContact O-CA 3.26Å; N876-L880 WeakPolarHBondContact O-CA 3.46Å; N876-L880 PolarHBondContact O-N 3Å; N876-S881 PolarHBondContact N-O 3.47Å; N876-I883 HydrophobicContact CB-CD1 4.06Å | ||
| 877 | P | 86.5 | Confident | 90.5 | Very high | 68 Ų | 68 | 30.6 Ų | 30.6 | 44% | 0.442 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -12.5 | -175.4 | 29.3 | -35.8 | 0 | 0 | 0 | 113.3 | V875 D921 I939 | V875-P877 VanDerWaalsContact O-CD 3.29Å; V875-P877 WeakPolarHBondContact O-CD 3.32Å; P877-D921 VanDerWaalsContact CD-OD1 3.31Å; P877-D921 WeakPolarHBondContact CD-OD1 3.43Å; P877-D921 WeakPolarHBondContact CG-OD1 3.35Å; P877-I939 HydrophobicContact CG-CD1 3.77Å; P877-I939 HydrophobicContact CG-CG1 4.21Å |
| 878 | E | 81.9 | Confident | 90.7 | Very high | 101 Ų | 101 | 25.4 Ų | 25.4 | 47% | 0.472 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | -17.6 | -179.5 | -55 | -169 | 165.3 | 0 | 0 | 114.1 | N876 I939 K943 | N876-E878 PolarHBondContact O-N 3.23Å; N876-E878 VanDerWaalsContact O-N 3.08Å; N876-E878 PolarHBondContact OD1-N 3.05Å; E878-I939 WeakPolarHBondContact OE1-CG2 3.14Å; E878-K943 IonicContact OE1-NZ 2.8Å; E878-K943 PolarHBondContact OE1-NZ 2.89Å; E878-K943 WeakPolarHBondContact OE2-CE 3.38Å; E878-K943 IonicContact OE2-NZ 2.79Å; E878-K943 PolarHBondContact OE2-NZ 3.45Å |
| 879 | T | 81.9 | Confident | 90.7 | Very high | 75 Ų | 75 | 27.5 Ų | 27.5 | 46% | 0.46 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -126.8 | -8.6 | 177.5 | 64 | 0 | 0 | 0 | 0 | 113.8 | N876 S881 | N876-T879 PolarHBondContact ND2-OG1 2.68Å; N876-T879 PolarHBondContact O-N 2.94Å; T879-S881 PolarHBondContact O-N 3.44Å; T879-S881 VanDerWaalsContact OG1-CB 3.28Å; T879-S881 WeakPolarHBondContact OG1-CB 3.36Å; T879-S881 PolarHBondContact OG1-N 2.85Å; T879-S881 PolarHBondContact OG1-OG 3.08Å |
| 880 | L | 83.9 | Confident | 90.5 | Very high | 112 Ų | 112 | 31.9 Ų | 31.9 | 59% | 0.586 | 18% | 0.175 | S | C | * | . | trans | 57.4 | 8.7 | -168.6 | -52.3 | 179.8 | 0 | 0 | 0 | 114.9 | N876 Q882 | N876-L880 VanDerWaalsContact O-CA 3.26Å; N876-L880 WeakPolarHBondContact O-CA 3.46Å; N876-L880 PolarHBondContact O-N 3Å; L880-Q882 PolarHBondContact O-N 3.19Å | ||
| 881 | S | 83 | Confident | 90.5 | Very high | 4 Ų | 4 | 31.8 Ų | 31.8 | 3% | 0.028 | 17% | 0.174 | C | C | . | . | trans | -54.9 | 127.5 | 172.2 | -63.8 | 0 | 0 | 0 | 0 | 111.1 | V875 N876 T879 D896 | V875-S881 WeakPolarHBondContact CA-O 3.4Å; N876-S881 PolarHBondContact N-O 3.47Å; T879-S881 PolarHBondContact O-N 3.44Å; T879-S881 VanDerWaalsContact OG1-CB 3.28Å; T879-S881 WeakPolarHBondContact OG1-CB 3.36Å; T879-S881 PolarHBondContact OG1-N 2.85Å; T879-S881 PolarHBondContact OG1-OG 3.08Å; S881-D896 WeakPolarHBondContact CB-OD1 3.19Å; S881-D896 WeakPolarHBondContact CB-OD2 3.17Å; S881-D896 PolarHBondContact OG-OD2 3.17Å | ||
| 882 | Q | 87.6 | Confident | 90.5 | Very high | 44 Ų | 44 | 31.2 Ų | 31.2 | 21% | 0.206 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 120.3 | 163.3 | -63.8 | -171.5 | 6 | 0 | 0 | 108.8 | V875 L880 L897 | V875-Q882 HydrophobicContact CG2-CG 4.43Å; L880-Q882 PolarHBondContact O-N 3.19Å; Q882-L897 HydrophobicContact CB-CB 4.34Å; Q882-L897 HydrophobicContact CB-CD1 4.2Å; Q882-L897 PolarHBondContact O-N 3.14Å |
| 883 | I | 90.7 | Very high | 90.5 | Very high | 5 Ų | 5 | 31.5 Ų | 31.5 | 3% | 0.026 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 131 | -174.4 | -63.3 | 177.6 | 0 | 0 | 0 | 109.4 | W874 N876 L885 Y894 L895 D896 M942 | W874-I883 HydrophobicContact CE3-CB 4.44Å; W874-I883 HydrophobicContact CE3-CD1 3.92Å; W874-I883 HydrophobicContact CZ3-CD1 3.93Å; W874-I883 PolarHBondContact N-O 2.89Å; W874-I883 PolarHBondContact O-N 3.03Å; W874-I883 VanDerWaalsContact O-O 3.13Å; N876-I883 HydrophobicContact CB-CD1 4.06Å; I883-L885 HydrophobicContact CG2-CG 4.44Å; I883-Y894 HydrophobicContact CG2-CD2 4.1Å; I883-Y894 HydrophobicContact CG2-CG 4.22Å; I883-L895 WeakPolarHBondContact CA-O 3.37Å; I883-D896 HydrophobicContact CG1-CB 4.39Å; I883-M942 HydrophobicContact CD1-CE 4.21Å |
| 884 | I | 93 | Very high | 90.5 | Very high | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 128.5 | 167.3 | -57 | -179.3 | 0 | 0 | 0 | 108.5 | I860 T871 T873 F886 Y894 L895 L897 V1169 I1186 | I860-I884 HydrophobicContact CD1-CD1 3.86Å; T871-I884 HydrophobicContact CG2-CG2 4.45Å; T873-I884 HydrophobicContact CG2-CG1 4.36Å; I884-F886 HydrophobicContact CB-CE2 3.74Å; I884-F886 HydrophobicContact CB-CZ 3.84Å; I884-F886 HydrophobicContact CG2-CD1 4.44Å; I884-F886 HydrophobicContact CG2-CD2 4.18Å; I884-F886 HydrophobicContact CG2-CE1 3.84Å; I884-F886 HydrophobicContact CG2-CE2 3.56Å; I884-F886 HydrophobicContact CG2-CZ 3.37Å; I884-F886 WeakPolarHBondContact O-CE2 3.46Å; I884-Y894 CarbonylContact O-C 3.53Å; I884-Y894 WeakPolarHBondContact O-CA 3.36Å; I884-L895 PolarHBondContact N-O 2.58Å; I884-L895 PolarHBondContact O-N 2.75Å; I884-L897 HydrophobicContact CD1-CD1 4.06Å; I884-L897 HydrophobicContact CD1-CD2 4.14Å; I884-L897 HydrophobicContact CD1-CG 4.47Å; I884-L897 HydrophobicContact CG1-CD1 4.12Å; I884-L897 HydrophobicContact CG1-CD2 4.46Å; I884-L897 HydrophobicContact CG1-CG 4.4Å; I884-V1169 HydrophobicContact CD1-CG2 4.06Å; I884-V1169 HydrophobicContact CG2-CG2 4.33Å; I884-I1186 HydrophobicContact CD1-CD1 3.66Å; I884-I1186 HydrophobicContact CD1-CG1 4.16Å |
| 885 | L | 95.5 | Very high | 90.3 | Very high | 2 Ų | 2 | 31.2 Ų | 31.2 | 1% | 0.01 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 127 | 176.5 | -73.9 | 154.6 | 0 | 0 | 0 | 109.4 | T871 A872 W874 I883 I892 Y893 L908 L916 V918 M923 L938 | T871-L885 VanDerWaalsContact CA-O 3.24Å; T871-L885 WeakPolarHBondContact CA-O 3.37Å; A872-L885 PolarHBondContact N-O 3.26Å; A872-L885 VanDerWaalsContact N-O 3.1Å; A872-L885 PolarHBondContact O-N 2.97Å; W874-L885 HydrophobicContact CB-CD1 4.11Å; I883-L885 HydrophobicContact CG2-CG 4.44Å; L885-I892 HydrophobicContact CD2-CG2 4.12Å; L885-Y893 WeakPolarHBondContact CA-O 3.42Å; L885-L908 HydrophobicContact CD2-CD2 3.6Å; L885-L916 HydrophobicContact CB-CD1 4.07Å; L885-L916 HydrophobicContact CB-CD2 4.42Å; L885-V918 HydrophobicContact CD1-CG2 3.72Å; L885-M923 HydrophobicContact CD1-SD 4.12Å; L885-M923 HydrophobicContact CD2-SD 4.38Å; L885-L938 HydrophobicContact CD1-CD1 3.93Å; L885-L938 HydrophobicContact CD1-CD2 4.06Å; L885-L938 HydrophobicContact CD2-CD2 4.5Å |
| 886 | F | 95.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 109.8 | -176.6 | -59.7 | -93 | 0 | 0 | 0 | 109.9 | I860 V868 T871 I884 T888 I892 Y893 L895 L905 V1169 L1184 | I860-F886 HydrophobicContact CD1-CZ 4.19Å; V868-F886 HydrophobicContact CG1-CB 4.44Å; V868-F886 HydrophobicContact CG1-CD1 4.14Å; V868-F886 HydrophobicContact CG2-CD1 4.29Å; T871-F886 HydrophobicContact CG2-CD1 3.39Å; T871-F886 HydrophobicContact CG2-CE1 3.76Å; T871-F886 HydrophobicContact CG2-CG 4.19Å; I884-F886 HydrophobicContact CB-CE2 3.74Å; I884-F886 HydrophobicContact CB-CZ 3.84Å; I884-F886 HydrophobicContact CG2-CD1 4.44Å; I884-F886 HydrophobicContact CG2-CD2 4.18Å; I884-F886 HydrophobicContact CG2-CE1 3.84Å; I884-F886 HydrophobicContact CG2-CE2 3.56Å; I884-F886 HydrophobicContact CG2-CZ 3.37Å; I884-F886 WeakPolarHBondContact O-CE2 3.46Å; F886-T888 HydrophobicContact CB-CG2 4.16Å; F886-I892 WeakPolarHBondContact O-CA 2.99Å; F886-Y893 PolarHBondContact N-O 2.83Å; F886-Y893 PolarHBondContact O-N 2.95Å; F886-L895 HydrophobicContact CE2-CB 3.83Å; F886-L905 HydrophobicContact CD2-CD2 3.55Å; F886-L905 HydrophobicContact CE2-CD2 3.64Å; F886-L905 HydrophobicContact CG-CD2 4.28Å; F886-L905 HydrophobicContact CZ-CD2 4.41Å; F886-V1169 HydrophobicContact CE1-CG1 4.28Å; F886-L1184 HydrophobicContact CD1-CD1 4.17Å; F886-L1184 HydrophobicContact CE1-CD1 3.7Å; F886-L1184 HydrophobicContact CZ-CD1 4.08Å |
| 887 | G | 95.7 | Very high | 89.8 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 118.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | N869 S870 | N869-G887 WeakPolarHBondContact CB-O 3.2Å; N869-G887 PolarHBondContact N-O 3.21Å; S870-G887 PolarHBondContact N-O 2.68Å; S870-G887 PolarHBondContact O-N 2.95Å |
| 888 | T | 95.7 | Very high | 89.1 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 171.3 | -172.8 | 74.4 | 0 | 0 | 0 | 0 | 111.5 | L866 K867 V868 F886 D890 G891 Y893 C913 | L866-T888 HydrophobicContact CB-CG2 4.03Å; L866-T888 HydrophobicContact CD1-CG2 4.06Å; K867-T888 VanDerWaalsContact O-CA 3.31Å; K867-T888 WeakPolarHBondContact O-CA 3.46Å; K867-T888 WeakPolarHBondContact O-CB 3.39Å; V868-T888 HydrophobicContact CG2-CG2 4.11Å; F886-T888 HydrophobicContact CB-CG2 4.16Å; T888-D890 PolarHBondContact O-N 2.71Å; T888-D890 PolarHBondContact OG1-N 3.26Å; T888-G891 WeakPolarHBondContact CA-O 3.42Å; T888-G891 WeakPolarHBondContact CB-O 3.41Å; T888-G891 PolarHBondContact N-O 3.29Å; T888-G891 PolarHBondContact OG1-N 3.1Å; T888-G891 VanDerWaalsContact OG1-N 3.11Å; T888-G891 PolarHBondContact OG1-O 3.38Å; T888-Y893 HydrophobicContact CG2-CD2 4.1Å; T888-C913 PolarHBondContact O-N 3.4Å |
| 889 | N | 92.2 | Very high | 88.2 | Confident | 45 Ų | 45 | 30.8 Ų | 30.8 | 24% | 0.241 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -63.4 | -23.6 | 176.9 | -81.6 | -27 | 0 | 0 | 0 | 114.4 | K867 N869 R912 | K867-N889 PolarHBondContact O-N 3.15Å; N869-N889 PolarHBondContact ND2-N 3.14Å; N869-N889 PolarHBondContact ND2-OD1 3.19Å; N889-R912 VanDerWaalsContact O-CA 3.24Å; N889-R912 WeakPolarHBondContact O-CA 3.48Å; N889-R912 WeakPolarHBondContact O-CB 3.15Å; N889-R912 WeakPolarHBondContact O-CG 3.11Å; N889-R912 PolarHBondContact OD1-NE 2.75Å; N889-R912 PolarHBondContact OD1-NH2 2.73Å; N889-R912 VanDerWaalsContact OD1-NH2 3.16Å |
| 890 | D | 90 | Very high | 87.4 | Confident | 101 Ų | 101 | 30.2 Ų | 30.2 | 54% | 0.54 | 16% | 0.16 | S | C | . | . | S | Bend | trans | -102.2 | -28.2 | -175.7 | -52.8 | -72.5 | 0 | 0 | 0 | 112.9 | T888 | T888-D890 PolarHBondContact O-N 2.71Å; T888-D890 PolarHBondContact OG1-N 3.26Å |
| 891 | G | 93.3 | Very high | 85.6 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 17% | 0.172 | C | C | . | . | trans | -172.8 | 176.8 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | T888 V909 R911 | T888-G891 WeakPolarHBondContact CA-O 3.42Å; T888-G891 WeakPolarHBondContact CB-O 3.41Å; T888-G891 PolarHBondContact N-O 3.29Å; T888-G891 PolarHBondContact OG1-N 3.1Å; T888-G891 VanDerWaalsContact OG1-N 3.11Å; T888-G891 PolarHBondContact OG1-O 3.38Å; G891-V909 CarbonylContact C-O 3.58Å; G891-V909 WeakPolarHBondContact CA-O 3.38Å; G891-R911 CarbonylContact C-O 3.56Å; G891-R911 VanDerWaalsContact CA-O 3.23Å; G891-R911 WeakPolarHBondContact CA-O 3.25Å | ||
| 892 | I | 95.5 | Very high | 84.1 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 116.6 | 157.1 | -54 | 177.4 | 0 | 0 | 0 | 107 | L885 F886 L908 V909 C913 L916 M923 | L885-I892 HydrophobicContact CD2-CG2 4.12Å; F886-I892 WeakPolarHBondContact O-CA 2.99Å; I892-L908 WeakPolarHBondContact O-CA 2.91Å; I892-L908 WeakPolarHBondContact O-CB 3.32Å; I892-L908 PolarHBondContact O-N 2.92Å; I892-V909 HydrophobicContact CB-CB 3.99Å; I892-V909 HydrophobicContact CB-CG2 4.27Å; I892-V909 HydrophobicContact CD1-CB 4.21Å; I892-V909 HydrophobicContact CD1-CG2 4.21Å; I892-V909 HydrophobicContact CG1-CB 4.17Å; I892-V909 PolarHBondContact N-O 2.64Å; I892-V909 PolarHBondContact O-N 3.49Å; I892-C913 HydrophobicContact CD1-CB 4.16Å; I892-C913 HydrophobicContact CG1-CB 3.55Å; I892-L916 HydrophobicContact CD1-CD2 4.3Å; I892-L916 HydrophobicContact CG1-CD2 4.29Å; I892-L916 HydrophobicContact CG2-CD2 3.78Å; I892-M923 HydrophobicContact CD1-CE 3.55Å; I892-M923 HydrophobicContact CD1-SD 4.07Å; I892-M923 HydrophobicContact CG2-CE 4.21Å; I892-M923 HydrophobicContact CG2-SD 4.14Å |
| 893 | Y | 93.8 | Very high | 82.8 | Confident | 11 Ų | 11 | 33.2 Ų | 33.2 | 4% | 0.043 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 166.8 | 174.8 | -68 | -101.3 | 0 | 0 | 0 | 110.3 | I557 L866 L885 F886 T888 L905 E906 L907 | I557-Y893 HydrophobicContact CD1-CE1 3.95Å; I557-Y893 HydrophobicContact CG1-CE1 4.49Å; L866-Y893 HydrophobicContact CD1-CD1 4.08Å; L866-Y893 HydrophobicContact CD1-CD2 3.48Å; L866-Y893 VanDerWaalsContact CD1-CD2 3.48Å; L866-Y893 HydrophobicContact CD1-CE1 4.15Å; L866-Y893 HydrophobicContact CD1-CE2 3.55Å; L866-Y893 HydrophobicContact CD1-CG 3.75Å; L866-Y893 HydrophobicContact CD2-CD2 4.46Å; L866-Y893 HydrophobicContact CD2-CE2 3.7Å; L866-Y893 HydrophobicContact CG-CE2 4.29Å; L885-Y893 WeakPolarHBondContact CA-O 3.42Å; F886-Y893 PolarHBondContact N-O 2.83Å; F886-Y893 PolarHBondContact O-N 2.95Å; T888-Y893 HydrophobicContact CG2-CD2 4.1Å; Y893-L905 HydrophobicContact CD1-CB 4.31Å; Y893-E906 CarbonylContact C-O 3.54Å; Y893-E906 WeakPolarHBondContact CA-O 3.12Å; Y893-L907 HydrophobicContact CD1-CB 3.96Å; Y893-L907 HydrophobicContact CD1-CD1 4.21Å; Y893-L907 HydrophobicContact CD2-CD1 4.03Å; Y893-L907 HydrophobicContact CE1-CB 3.74Å; Y893-L907 HydrophobicContact CE1-CD1 3.94Å; Y893-L907 HydrophobicContact CE1-CG 4.37Å; Y893-L907 HydrophobicContact CE2-CD1 3.78Å; Y893-L907 HydrophobicContact CG-CD1 4.25Å |
| 894 | Y | 92.5 | Very high | 81.9 | Confident | 18 Ų | 18 | 34 Ų | 34 | 7% | 0.071 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 160.3 | 168.1 | 72.9 | -90.9 | 0 | 0 | 0 | 113.2 | I883 I884 E906 L908 M942 R945 | I883-Y894 HydrophobicContact CG2-CD2 4.1Å; I883-Y894 HydrophobicContact CG2-CG 4.22Å; I884-Y894 CarbonylContact O-C 3.53Å; I884-Y894 WeakPolarHBondContact O-CA 3.36Å; Y894-E906 HydrophobicContact CD1-CB 3.98Å; Y894-E906 WeakPolarHBondContact CD1-O 3.47Å; Y894-E906 HydrophobicContact CD2-CB 4.48Å; Y894-E906 HydrophobicContact CE1-CB 3.56Å; Y894-E906 HydrophobicContact CE2-CB 4.05Å; Y894-E906 HydrophobicContact CE2-CG 4.5Å; Y894-E906 HydrophobicContact CG-CB 4.45Å; Y894-E906 PolarHBondContact N-O 3.27Å; Y894-E906 PolarHBondContact O-N 3.11Å; Y894-E906 VanDerWaalsContact OH-CD 3.23Å; Y894-E906 PolarHBondContact OH-OE1 3.09Å; Y894-L908 HydrophobicContact CD1-CB 4.12Å; Y894-L908 HydrophobicContact CD1-CD1 4.5Å; Y894-L908 HydrophobicContact CE1-CD1 4.46Å; Y894-M942 HydrophobicContact CD1-SD 4.47Å; Y894-M942 HydrophobicContact CE1-CE 4.14Å; Y894-M942 HydrophobicContact CE1-SD 4Å; Y894-M942 HydrophobicContact CE2-CE 4Å; Y894-R945 PolarHBondContact OH-NH1 3.26Å |
| 895 | L | 89.9 | Confident | 81.5 | Confident | 3 Ų | 3 | 34 Ų | 34 | 2% | 0.016 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 130.7 | 167.5 | -175.8 | 67.8 | 0 | 0 | 0 | 108.3 | I860 I883 I884 F886 L897 L900 T904 L905 | I860-L895 HydrophobicContact CB-CD2 4.12Å; I860-L895 HydrophobicContact CD1-CD2 4.12Å; I860-L895 HydrophobicContact CG1-CD2 4.44Å; I883-L895 WeakPolarHBondContact CA-O 3.37Å; I884-L895 PolarHBondContact N-O 2.58Å; I884-L895 PolarHBondContact O-N 2.75Å; F886-L895 HydrophobicContact CE2-CB 3.83Å; L895-L897 HydrophobicContact CD2-CD2 4.08Å; L895-L897 HydrophobicContact CG-CD2 4.47Å; L895-L900 HydrophobicContact CD1-CD2 4.25Å; L895-L900 HydrophobicContact CD2-CD2 4.27Å; L895-L900 HydrophobicContact CG-CD2 4.45Å; L895-T904 WeakPolarHBondContact CD1-O 3.39Å; L895-L905 HydrophobicContact CB-CD2 4.13Å |
| 896 | D | 86.4 | Confident | 81.1 | Confident | 24 Ų | 24 | 36.2 Ų | 36.2 | 13% | 0.128 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 116.9 | 169 | -176.5 | -21.1 | 0 | 0 | 0 | 108.6 | S881 I883 V898 N899 L900 | S881-D896 WeakPolarHBondContact CB-OD1 3.19Å; S881-D896 WeakPolarHBondContact CB-OD2 3.17Å; S881-D896 PolarHBondContact OG-OD2 3.17Å; I883-D896 HydrophobicContact CG1-CB 4.39Å; D896-V898 VanDerWaalsContact C-N 3.29Å; D896-V898 PolarHBondContact O-N 2.96Å; D896-V898 WeakPolarHBondContact OD1-CA 3.37Å; D896-V898 WeakPolarHBondContact OD1-CB 3.4Å; D896-V898 PolarHBondContact OD1-N 3.01Å; D896-N899 HydrophobicContact CB-CB 4.2Å; D896-N899 CarbonylContact O-C 3.56Å; D896-N899 PolarHBondContact OD1-N 3.16Å; D896-N899 VanDerWaalsContact OD1-N 3.14Å; D896-N899 PolarHBondContact OD2-ND2 3.27Å; D896-L900 PolarHBondContact O-N 3.48Å |
| 897 | L | 81.6 | Confident | 80.9 | Confident | 6 Ų | 6 | 36.9 Ų | 36.9 | 3% | 0.031 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -73.5 | -21.2 | -178.1 | -59.3 | 179 | 0 | 0 | 0 | 112.8 | I860 Q882 I884 L895 L900 I1186 | I860-L897 HydrophobicContact CG2-CD2 4.29Å; Q882-L897 HydrophobicContact CB-CB 4.34Å; Q882-L897 HydrophobicContact CB-CD1 4.2Å; Q882-L897 PolarHBondContact O-N 3.14Å; I884-L897 HydrophobicContact CD1-CD1 4.06Å; I884-L897 HydrophobicContact CD1-CD2 4.14Å; I884-L897 HydrophobicContact CD1-CG 4.47Å; I884-L897 HydrophobicContact CG1-CD1 4.12Å; I884-L897 HydrophobicContact CG1-CD2 4.46Å; I884-L897 HydrophobicContact CG1-CG 4.4Å; L895-L897 HydrophobicContact CD2-CD2 4.08Å; L895-L897 HydrophobicContact CG-CD2 4.47Å; L897-L900 WeakPolarHBondContact O-CD1 3.18Å; L897-I1186 HydrophobicContact CD1-CD1 4.15Å; L897-I1186 HydrophobicContact CD2-CD1 4.37Å |
| 898 | V | 72.1 | Confident | 80.7 | Confident | 86 Ų | 86 | 37.6 Ų | 37.6 | 52% | 0.521 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -82.8 | -40.1 | 176.5 | -176.1 | 0 | 0 | 0 | 0 | 110.1 | D896 L900 | D896-V898 VanDerWaalsContact C-N 3.29Å; D896-V898 PolarHBondContact O-N 2.96Å; D896-V898 WeakPolarHBondContact OD1-CA 3.37Å; D896-V898 WeakPolarHBondContact OD1-CB 3.4Å; D896-V898 PolarHBondContact OD1-N 3.01Å; V898-L900 PolarHBondContact O-N 3.4Å |
| 899 | N | 62.4 | Low | 80.5 | Confident | 109 Ų | 109 | 38 Ų | 38 | 58% | 0.583 | 22% | 0.219 | S | C | * | . | S | Bend | trans | -96.9 | 42.9 | 178.8 | -64.8 | -70 | 0 | 0 | 0 | 112.9 | D896 A901 | D896-N899 HydrophobicContact CB-CB 4.2Å; D896-N899 CarbonylContact O-C 3.56Å; D896-N899 PolarHBondContact OD1-N 3.16Å; D896-N899 VanDerWaalsContact OD1-N 3.14Å; D896-N899 PolarHBondContact OD2-ND2 3.27Å; N899-A901 PolarHBondContact O-N 3.37Å |
| 900 | L | 65 | Low | 80.5 | Confident | 63 Ų | 63 | 39.6 Ų | 39.6 | 33% | 0.33 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | -61.2 | -7.7 | 179.4 | -94 | 168.4 | 0 | 0 | 0 | 115.3 | Y743 L895 D896 L897 V898 D902 G903 | Y743-L900 HydrophobicContact CE1-CD1 4.4Å; L895-L900 HydrophobicContact CD1-CD2 4.25Å; L895-L900 HydrophobicContact CD2-CD2 4.27Å; L895-L900 HydrophobicContact CG-CD2 4.45Å; D896-L900 PolarHBondContact O-N 3.48Å; L897-L900 WeakPolarHBondContact O-CD1 3.18Å; V898-L900 PolarHBondContact O-N 3.4Å; L900-D902 VanDerWaalsContact C-N 3.31Å; L900-D902 PolarHBondContact O-N 2.82Å; L900-D902 VanDerWaalsContact O-N 3.17Å; L900-G903 PolarHBondContact O-N 3.27Å |
| 901 | A | 46.9 | Very low | 80.5 | Confident | 100 Ų | 100 | 40.3 Ų | 40.3 | 83% | 0.826 | 23% | 0.227 | S | C | * | . | G | 310 helix | trans | -55 | -35.7 | -168.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | N899 | N899-A901 PolarHBondContact O-N 3.37Š|
| 902 | D | 50.5 | Low | 80.5 | Confident | 116 Ų | 116 | 44.9 Ų | 44.9 | 62% | 0.62 | 24% | 0.244 | S | C | * | . | G | 310 helix | trans | -94.3 | -11 | 177.3 | -72.8 | -1.4 | 0 | 0 | 0 | 113 | L900 T904 | L900-D902 VanDerWaalsContact C-N 3.31Å; L900-D902 PolarHBondContact O-N 2.82Å; L900-D902 VanDerWaalsContact O-N 3.17Å; D902-T904 HydrophobicContact CB-CG2 3.72Å; D902-T904 WeakPolarHBondContact O-CG2 3.48Å; D902-T904 PolarHBondContact O-N 2.81Å |
| 903 | G | 59.7 | Low | 80.5 | Confident | 8 Ų | 8 | 44.9 Ų | 44.9 | 8% | 0.082 | 24% | 0.244 | C | C | . | . | trans | 53.1 | 43.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | L559 F861 L900 | L559-G903 WeakPolarHBondContact CG-O 3.21Å; F861-G903 WeakPolarHBondContact CE2-O 3.3Å; L900-G903 PolarHBondContact O-N 3.27Å | ||
| 904 | T | 72.8 | Confident | 80.5 | Confident | 21 Ų | 21 | 44.6 Ų | 44.6 | 13% | 0.129 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 142.3 | -173.7 | 80.2 | 0 | 0 | 0 | 0 | 113.6 | I556 I557 R558 L895 D902 | I556-T904 HydrophobicContact CG2-CG2 3.96Å; I557-T904 WeakPolarHBondContact O-CA 3.11Å; R558-T904 HydrophobicContact CB-CG2 4.33Å; R558-T904 HydrophobicContact CG-CG2 3.78Å; L895-T904 WeakPolarHBondContact CD1-O 3.39Å; D902-T904 HydrophobicContact CB-CG2 3.72Å; D902-T904 WeakPolarHBondContact O-CG2 3.48Å; D902-T904 PolarHBondContact O-N 2.81Å |
| 905 | L | 85.4 | Confident | 80.6 | Confident | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 113.5 | 165.2 | -78.5 | 163.7 | 0 | 0 | 0 | 109.4 | I557 F861 L866 F886 Y893 L895 L1184 | I557-L905 HydrophobicContact CB-CB 4.41Å; I557-L905 PolarHBondContact N-O 3.24Å; I557-L905 PolarHBondContact O-N 2.83Å; F861-L905 HydrophobicContact CD1-CD1 4.13Å; F861-L905 HydrophobicContact CD2-CD1 3.8Å; F861-L905 HydrophobicContact CD2-CG 3.76Å; F861-L905 HydrophobicContact CE1-CD1 4.1Å; F861-L905 HydrophobicContact CE2-CB 4.19Å; F861-L905 HydrophobicContact CE2-CD1 3.75Å; F861-L905 HydrophobicContact CE2-CG 3.64Å; F861-L905 HydrophobicContact CG-CD1 4Å; F861-L905 HydrophobicContact CG-CG 4.42Å; F861-L905 HydrophobicContact CZ-CD1 3.92Å; F861-L905 HydrophobicContact CZ-CG 4.24Å; L866-L905 HydrophobicContact CD1-CD1 4.31Å; F886-L905 HydrophobicContact CD2-CD2 3.55Å; F886-L905 HydrophobicContact CE2-CD2 3.64Å; F886-L905 HydrophobicContact CG-CD2 4.28Å; F886-L905 HydrophobicContact CZ-CD2 4.41Å; Y893-L905 HydrophobicContact CD1-CB 4.31Å; L895-L905 HydrophobicContact CB-CD2 4.13Å; L905-L1184 HydrophobicContact CD1-CD1 4.03Å |
| 906 | E | 87.3 | Confident | 80.9 | Confident | 49 Ų | 49 | 44.6 Ų | 44.6 | 23% | 0.229 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 127.5 | -175.1 | -79 | -148 | -94.8 | 0 | 0 | 112.5 | Y893 Y894 L908 R945 | Y893-E906 CarbonylContact C-O 3.54Å; Y893-E906 WeakPolarHBondContact CA-O 3.12Å; Y894-E906 HydrophobicContact CD1-CB 3.98Å; Y894-E906 WeakPolarHBondContact CD1-O 3.47Å; Y894-E906 HydrophobicContact CD2-CB 4.48Å; Y894-E906 HydrophobicContact CE1-CB 3.56Å; Y894-E906 HydrophobicContact CE2-CB 4.05Å; Y894-E906 HydrophobicContact CE2-CG 4.5Å; Y894-E906 HydrophobicContact CG-CB 4.45Å; Y894-E906 PolarHBondContact N-O 3.27Å; Y894-E906 PolarHBondContact O-N 3.11Å; Y894-E906 VanDerWaalsContact OH-CD 3.23Å; Y894-E906 PolarHBondContact OH-OE1 3.09Å; E906-L908 PolarHBondContact O-N 2.89Å; E906-R945 IonicContact OE1-NH1 3.2Å; E906-R945 IonicContact OE2-CZ 3.29Å; E906-R945 IonicContact OE2-NH1 3.9Å; E906-R945 PolarHBondContact OE2-NH1 2.78Å; E906-R945 IonicContact OE2-NH2 3.65Å; E906-R945 PolarHBondContact OE2-NH2 2.9Å |
| 907 | L | 90.2 | Very high | 81.3 | Confident | 14 Ų | 14 | 44.6 Ų | 44.6 | 7% | 0.073 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 119.9 | 178.4 | -174.9 | 64.6 | 0 | 0 | 0 | 112.1 | P554 P555 Y893 P910 R945 | P554-L907 HydrophobicContact CB-CB 4.2Å; P555-L907 HydrophobicContact CG-CD2 3.88Å; Y893-L907 HydrophobicContact CD1-CB 3.96Å; Y893-L907 HydrophobicContact CD1-CD1 4.21Å; Y893-L907 HydrophobicContact CD2-CD1 4.03Å; Y893-L907 HydrophobicContact CE1-CB 3.74Å; Y893-L907 HydrophobicContact CE1-CD1 3.94Å; Y893-L907 HydrophobicContact CE1-CG 4.37Å; Y893-L907 HydrophobicContact CE2-CD1 3.78Å; Y893-L907 HydrophobicContact CG-CD1 4.25Å; L907-P910 HydrophobicContact CD2-CB 3.98Å; L907-R945 PolarHBondContact O-NE 2.85Å; L907-R945 VanDerWaalsContact O-NE 3.07Å; L907-R945 PolarHBondContact O-NH2 2.85Å |
| 908 | L | 91.3 | Very high | 82 | Confident | 15 Ų | 15 | 44.8 Ų | 44.8 | 8% | 0.079 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | -46.6 | 175.1 | -170.8 | 61.2 | 0 | 0 | 0 | 112 | L885 I892 Y894 E906 M923 L938 L941 M942 | L885-L908 HydrophobicContact CD2-CD2 3.6Å; I892-L908 WeakPolarHBondContact O-CA 2.91Å; I892-L908 WeakPolarHBondContact O-CB 3.32Å; I892-L908 PolarHBondContact O-N 2.92Å; Y894-L908 HydrophobicContact CD1-CB 4.12Å; Y894-L908 HydrophobicContact CD1-CD1 4.5Å; Y894-L908 HydrophobicContact CE1-CD1 4.46Å; E906-L908 PolarHBondContact O-N 2.89Å; L908-M923 HydrophobicContact CD2-CE 4.5Å; L908-L938 HydrophobicContact CD2-CD2 4.05Å; L908-L941 HydrophobicContact CD1-CB 3.96Å; L908-L941 HydrophobicContact CD2-CD1 4.4Å; L908-L941 HydrophobicContact CG-CB 4.49Å; L908-L941 HydrophobicContact CG-CD1 4.34Å; L908-M942 HydrophobicContact CD1-SD 3.78Å |
| 909 | V | 92 | Very high | 83 | Confident | 7 Ų | 7 | 43.1 Ų | 43.1 | 4% | 0.042 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 113.5 | -177.8 | -173.1 | 0 | 0 | 0 | 0 | 110.5 | G891 I892 R911 L941 | G891-V909 CarbonylContact C-O 3.58Å; G891-V909 WeakPolarHBondContact CA-O 3.38Å; I892-V909 HydrophobicContact CB-CB 3.99Å; I892-V909 HydrophobicContact CB-CG2 4.27Å; I892-V909 HydrophobicContact CD1-CB 4.21Å; I892-V909 HydrophobicContact CD1-CG2 4.21Å; I892-V909 HydrophobicContact CG1-CB 4.17Å; I892-V909 PolarHBondContact N-O 2.64Å; I892-V909 PolarHBondContact O-N 3.49Å; V909-R911 HydrophobicContact CG1-CB 4.13Å; V909-R911 HydrophobicContact CG1-CG 4.04Å; V909-R911 PolarHBondContact O-N 2.76Å; V909-L941 HydrophobicContact CG2-CD1 4.17Å |
| 910 | P | 91.3 | Very high | 84.3 | Confident | 79 Ų | 79 | 42 Ų | 42 | 51% | 0.513 | 22% | 0.22 | S | C | . | . | trans | -77.2 | 67.2 | 177.9 | 32.3 | -36.3 | 0 | 0 | 0 | 111.5 | L907 | L907-P910 HydrophobicContact CD2-CB 3.98Š| ||
| 911 | R | 90 | Very high | 85.7 | Confident | 117 Ų | 117 | 41 Ų | 41 | 44% | 0.442 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -149.9 | 131.7 | 176.2 | -63.7 | -179.6 | -178.6 | -89.3 | -2.7 | 109.2 | G891 V909 C913 | G891-R911 CarbonylContact C-O 3.56Å; G891-R911 VanDerWaalsContact CA-O 3.23Å; G891-R911 WeakPolarHBondContact CA-O 3.25Å; V909-R911 HydrophobicContact CG1-CB 4.13Å; V909-R911 HydrophobicContact CG1-CG 4.04Å; V909-R911 PolarHBondContact O-N 2.76Å; R911-C913 PolarHBondContact O-N 2.91Å |
| 912 | R | 93.9 | Very high | 88 | Confident | 96 Ų | 96 | 36.6 Ų | 36.6 | 36% | 0.362 | 18% | 0.177 | S | C | . | . | trans | -41.1 | 124.8 | 164 | 179.1 | 159.3 | -166.3 | -140.1 | -0.3 | 110.6 | N889 S927 G928 | N889-R912 VanDerWaalsContact O-CA 3.24Å; N889-R912 WeakPolarHBondContact O-CA 3.48Å; N889-R912 WeakPolarHBondContact O-CB 3.15Å; N889-R912 WeakPolarHBondContact O-CG 3.11Å; N889-R912 PolarHBondContact OD1-NE 2.75Å; N889-R912 PolarHBondContact OD1-NH2 2.73Å; N889-R912 VanDerWaalsContact OD1-NH2 3.16Å; R912-S927 CarbonylContact O-C 3.53Å; R912-S927 WeakPolarHBondContact O-CA 3.34Å; R912-S927 WeakPolarHBondContact O-CB 3.19Å; R912-G928 PolarHBondContact O-N 3.42Å | ||
| 913 | C | 95.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 127.5 | 178.9 | -179.2 | 0 | 0 | 0 | 0 | 109 | N869 T888 I892 R911 W915 I926 | N869-C913 PolarHBondContact ND2-O 3Å; T888-C913 PolarHBondContact O-N 3.4Å; I892-C913 HydrophobicContact CD1-CB 4.16Å; I892-C913 HydrophobicContact CG1-CB 3.55Å; R911-C913 PolarHBondContact O-N 2.91Å; C913-W915 PolarHBondContact SG-O 3.05Å; C913-W915 VanDerWaalsContact SG-O 3.39Å; C913-I926 WeakPolarHBondContact CA-O 3.5Å |
| 914 | L | 93.4 | Very high | 91.9 | Very high | 4 Ų | 4 | 30.7 Ų | 30.7 | 2% | 0.021 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | -35.5 | -178.2 | -61.3 | 173.9 | 0 | 0 | 0 | 112.1 | L383 I385 I926 P931 | L383-L914 HydrophobicContact CD1-CB 4.46Å; L383-L914 WeakPolarHBondContact CD1-O 3.06Å; I385-L914 HydrophobicContact CD1-CD1 3.57Å; I385-L914 HydrophobicContact CD1-CD2 4.24Å; L914-I926 HydrophobicContact CB-CG2 4.32Å; L914-I926 HydrophobicContact CD1-CG2 4.09Å; L914-I926 PolarHBondContact N-O 2.95Å; L914-P931 HydrophobicContact CD1-CB 4.01Å; L914-P931 HydrophobicContact CD1-CG 3.7Å |
| 915 | W | 95.4 | Very high | 93.1 | Very high | 14 Ų | 14 | 29.7 Ų | 29.7 | 5% | 0.053 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 139.7 | -177.6 | 174.8 | 92.2 | 0 | 0 | 0 | 108.2 | Q381 S870 C913 F917 M924 S925 I926 L933 A971 V973 L984 | Q381-W915 VanDerWaalsContact O-CD1 3.29Å; Q381-W915 PolarHBondContact O-NE1 2.68Å; S870-W915 WeakPolarHBondContact OG-CA 3.46Å; C913-W915 PolarHBondContact SG-O 3.05Å; C913-W915 VanDerWaalsContact SG-O 3.39Å; W915-F917 HydrophobicContact CH2-CB 3.54Å; W915-F917 HydrophobicContact CH2-CG 4.41Å; W915-F917 HydrophobicContact CZ2-CB 3.57Å; W915-F917 HydrophobicContact CZ2-CG 4.4Å; W915-F917 HydrophobicContact CZ3-CB 4.19Å; W915-M924 HydrophobicContact CH2-CB 4.37Å; W915-M924 HydrophobicContact CZ3-CB 3.95Å; W915-S925 CarbonylContact O-C 3.51Å; W915-S925 WeakPolarHBondContact O-CA 3.39Å; W915-S925 WeakPolarHBondContact O-CB 3.45Å; W915-I926 HydrophobicContact CB-CB 4.22Å; W915-I926 HydrophobicContact CB-CD1 4.23Å; W915-I926 HydrophobicContact CB-CG1 4.29Å; W915-I926 HydrophobicContact CE3-CG1 4.09Å; W915-I926 PolarHBondContact O-N 3.1Å; W915-L933 HydrophobicContact CZ3-CD2 4.15Å; W915-A971 HydrophobicContact CD2-CB 4.05Å; W915-A971 VanDerWaalsContact CE2-O 3.29Å; W915-A971 HydrophobicContact CE3-CB 3.96Å; W915-A971 HydrophobicContact CH2-CB 3.93Å; W915-A971 HydrophobicContact CZ2-CB 4.02Å; W915-A971 HydrophobicContact CZ3-CB 3.91Å; W915-A971 PolarHBondContact NE1-O 2.88Å; W915-V973 HydrophobicContact CH2-CG2 3.98Å; W915-V973 HydrophobicContact CZ2-CG2 4.05Å; W915-L984 HydrophobicContact CH2-CD1 3.87Å; W915-L984 HydrophobicContact CH2-CG 4.33Å; W915-L984 HydrophobicContact CZ3-CD1 4.3Å |
| 916 | L | 95.9 | Very high | 93.6 | Very high | 8 Ų | 8 | 29.6 Ų | 29.6 | 4% | 0.042 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 153.5 | 167.4 | 67.3 | 85.1 | 0 | 0 | 0 | 111.2 | S870 A872 L885 I892 M923 M924 | S870-L916 PolarHBondContact OG-N 3.26Å; A872-L916 HydrophobicContact CB-CD1 3.45Å; A872-L916 VanDerWaalsContact CB-CD1 3.45Å; L885-L916 HydrophobicContact CB-CD1 4.07Å; L885-L916 HydrophobicContact CB-CD2 4.42Å; I892-L916 HydrophobicContact CD1-CD2 4.3Å; I892-L916 HydrophobicContact CG1-CD2 4.29Å; I892-L916 HydrophobicContact CG2-CD2 3.78Å; L916-M923 HydrophobicContact CB-CG 4.3Å; L916-M923 HydrophobicContact CB-SD 4.31Å; L916-M923 HydrophobicContact CD1-SD 4.26Å; L916-M923 HydrophobicContact CD2-SD 4.1Å; L916-M923 HydrophobicContact CG-SD 4.49Å; L916-M924 CarbonylContact C-O 3.52Å; L916-M924 VanDerWaalsContact CA-O 3.23Å; L916-M924 WeakPolarHBondContact CA-O 3.37Å; L916-M924 WeakPolarHBondContact CB-O 3.2Å |
| 917 | F | 95.5 | Very high | 94 | Very high | 23 Ų | 23 | 27.3 Ų | 27.3 | 10% | 0.101 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 141.9 | 178.8 | 169.9 | -97.6 | 0 | 0 | 0 | 109.4 | W915 F919 M923 M924 V973 F1004 | W915-F917 HydrophobicContact CH2-CB 3.54Å; W915-F917 HydrophobicContact CH2-CG 4.41Å; W915-F917 HydrophobicContact CZ2-CB 3.57Å; W915-F917 HydrophobicContact CZ2-CG 4.4Å; W915-F917 HydrophobicContact CZ3-CB 4.19Å; F917-F919 HydrophobicContact CE1-CB 3.73Å; F917-F919 HydrophobicContact CZ-CB 4.16Å; F917-M923 CarbonylContact O-C 3.5Å; F917-M923 WeakPolarHBondContact O-CA 3.32Å; F917-M924 PolarHBondContact N-O 2.87Å; F917-M924 PolarHBondContact O-N 2.82Å; F917-V973 HydrophobicContact CB-CG2 4.49Å; F917-V973 HydrophobicContact CD1-CB 4.15Å; F917-V973 HydrophobicContact CD1-CG1 4.29Å; F917-V973 HydrophobicContact CD1-CG2 3.6Å; F917-V973 HydrophobicContact CD2-CB 4.38Å; F917-V973 HydrophobicContact CD2-CG2 4.41Å; F917-V973 HydrophobicContact CE1-CB 3.96Å; F917-V973 HydrophobicContact CE1-CG1 3.65Å; F917-V973 HydrophobicContact CE1-CG2 3.84Å; F917-V973 HydrophobicContact CE2-CB 4.22Å; F917-V973 HydrophobicContact CE2-CG1 4.38Å; F917-V973 HydrophobicContact CG-CB 4.34Å; F917-V973 HydrophobicContact CG-CG2 3.9Å; F917-V973 HydrophobicContact CZ-CB 4Å; F917-V973 HydrophobicContact CZ-CG1 3.7Å; F917-V973 HydrophobicContact CZ-CG2 4.36Å; F917-F1004 HydrophobicContact CE1-CE2 4.34Å; F917-F1004 HydrophobicContact CE1-CZ 4.22Å |
| 918 | V | 95.2 | Very high | 94 | Very high | 10 Ų | 10 | 27.2 Ų | 27.2 | 6% | 0.061 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 135 | -178.6 | -175.6 | 0 | 0 | 0 | 0 | 110.4 | A872 W874 L885 K920 M923 L938 | A872-V918 HydrophobicContact CB-CG2 4.02Å; W874-V918 HydrophobicContact CB-CG1 4.14Å; W874-V918 HydrophobicContact CG-CG1 4.2Å; L885-V918 HydrophobicContact CD1-CG2 3.72Å; V918-K920 WeakPolarHBondContact CG1-O 3.5Å; V918-M923 HydrophobicContact CG2-CB 4.08Å; V918-M923 HydrophobicContact CG2-CG 4.24Å; V918-L938 HydrophobicContact CG1-CD1 3.72Å; V918-L938 HydrophobicContact CG2-CD1 4.18Å |
| 919 | F | 92.3 | Very high | 93.7 | Very high | 52 Ų | 52 | 35.4 Ų | 35.4 | 23% | 0.228 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 127.4 | 164.6 | -172.6 | -125.3 | 0 | 0 | 0 | 111.4 | F917 D921 T922 K982 W997 | F917-F919 HydrophobicContact CE1-CB 3.73Å; F917-F919 HydrophobicContact CZ-CB 4.16Å; F919-D921 PolarHBondContact O-N 2.73Å; F919-T922 PolarHBondContact N-O 3.23Å; F919-T922 PolarHBondContact O-N 3.02Å; F919-T922 VanDerWaalsContact O-N 3.08Å; F919-K982 HydrophobicContact CD1-CD 4.12Å; F919-K982 HydrophobicContact CD2-CD 3.99Å; F919-K982 HydrophobicContact CE1-CD 4.01Å; F919-K982 HydrophobicContact CE1-CG 4.44Å; F919-K982 HydrophobicContact CE2-CD 3.89Å; F919-K982 HydrophobicContact CG-CD 4.12Å; F919-K982 HydrophobicContact CZ-CD 3.89Å; F919-K982 HydrophobicContact CZ-CG 4.44Å; F919-W997 HydrophobicContact CB-CZ3 4.42Å; F919-W997 AromaticContact CD1-CD2 3.53Å; F919-W997 HydrophobicContact CD1-CD2 3.53Å; F919-W997 AromaticContact CD1-CE2 3.64Å; F919-W997 AromaticContact CD1-CE3 3.74Å; F919-W997 HydrophobicContact CD1-CE3 3.74Å; F919-W997 AromaticContact CD1-CG 3.98Å; F919-W997 HydrophobicContact CD1-CG 3.98Å; F919-W997 HydrophobicContact CD1-CH2 4.05Å; F919-W997 AromaticContact CD1-CZ2 3.91Å; F919-W997 HydrophobicContact CD1-CZ2 3.91Å; F919-W997 AromaticContact CD1-CZ3 3.98Å; F919-W997 HydrophobicContact CD1-CZ3 3.98Å; F919-W997 AromaticContact CE1-CD1 3.82Å; F919-W997 AromaticContact CE1-CD2 3.82Å; F919-W997 HydrophobicContact CE1-CD2 3.82Å; F919-W997 AromaticContact CE1-CE2 3.71Å; F919-W997 HydrophobicContact CE1-CE3 4.47Å; F919-W997 AromaticContact CE1-CG 3.86Å; F919-W997 HydrophobicContact CE1-CG 3.86Å; F919-W997 HydrophobicContact CE1-CZ2 4.24Å; F919-W997 AromaticContact CE1-NE1 3.74Å; F919-W997 WeakPolarHBondContact O-CH2 3.48Å |
| 920 | K | 91.2 | Very high | 93.6 | Very high | 86 Ų | 86 | 40.2 Ų | 40.2 | 37% | 0.374 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.4 | -124.1 | -159.5 | -51.3 | -169.8 | -169.3 | 179 | 0 | 108.8 | W874 V918 W997 N999 | W874-K920 PolarHBondContact NE1-O 3.17Å; V918-K920 WeakPolarHBondContact CG1-O 3.5Å; K920-W997 HydrophobicContact CD-CZ2 4.08Å; K920-W997 HydrophobicContact CG-CZ2 4.26Å; K920-N999 PolarHBondContact NZ-OD1 2.82Å; K920-N999 VanDerWaalsContact NZ-OD1 3.11Å |
| 921 | D | 93.5 | Very high | 93.6 | Very high | 41 Ų | 41 | 37.7 Ų | 37.7 | 22% | 0.219 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101 | 13.7 | -179.2 | -50.1 | -62.9 | 0 | 0 | 0 | 113.6 | W874 P877 F919 L938 I939 | W874-D921 PolarHBondContact NE1-OD1 2.99Å; P877-D921 VanDerWaalsContact CD-OD1 3.31Å; P877-D921 WeakPolarHBondContact CD-OD1 3.43Å; P877-D921 WeakPolarHBondContact CG-OD1 3.35Å; F919-D921 PolarHBondContact O-N 2.73Å; D921-L938 PolarHBondContact O-N 3.44Å; D921-I939 HydrophobicContact CB-CD1 3.86Å; D921-I939 HydrophobicContact CB-CG1 4.03Å; D921-I939 VanDerWaalsContact CG-CD1 3.5Å |
| 922 | T | 94.6 | Very high | 93.8 | Very high | 7 Ų | 7 | 32.6 Ų | 32.6 | 4% | 0.043 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 110.2 | 179.9 | -64.7 | 0 | 0 | 0 | 0 | 109.8 | F919 M924 S935 H936 W997 N1002 | F919-T922 PolarHBondContact N-O 3.23Å; F919-T922 PolarHBondContact O-N 3.02Å; F919-T922 VanDerWaalsContact O-N 3.08Å; T922-M924 HydrophobicContact CG2-SD 4.31Å; T922-S935 WeakPolarHBondContact CG2-OG 3.38Å; T922-H936 CarbonylContact C-O 3.54Å; T922-H936 WeakPolarHBondContact CA-O 3.3Å; T922-W997 HydrophobicContact CG2-CZ3 4.25Å; T922-N1002 WeakPolarHBondContact CB-O 3.36Å; T922-N1002 PolarHBondContact OG1-O 3.23Å |
| 923 | M | 96.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 123.9 | 169.1 | 173.6 | 180 | 68.2 | 0 | 0 | 109.3 | L885 I892 L908 L916 F917 V918 H936 L938 | L885-M923 HydrophobicContact CD1-SD 4.12Å; L885-M923 HydrophobicContact CD2-SD 4.38Å; I892-M923 HydrophobicContact CD1-CE 3.55Å; I892-M923 HydrophobicContact CD1-SD 4.07Å; I892-M923 HydrophobicContact CG2-CE 4.21Å; I892-M923 HydrophobicContact CG2-SD 4.14Å; L908-M923 HydrophobicContact CD2-CE 4.5Å; L916-M923 HydrophobicContact CB-CG 4.3Å; L916-M923 HydrophobicContact CB-SD 4.31Å; L916-M923 HydrophobicContact CD1-SD 4.26Å; L916-M923 HydrophobicContact CD2-SD 4.1Å; L916-M923 HydrophobicContact CG-SD 4.49Å; F917-M923 CarbonylContact O-C 3.5Å; F917-M923 WeakPolarHBondContact O-CA 3.32Å; V918-M923 HydrophobicContact CG2-CB 4.08Å; V918-M923 HydrophobicContact CG2-CG 4.24Å; M923-H936 HydrophobicContact CB-CB 4.13Å; M923-H936 HydrophobicContact CE-CB 3.72Å; M923-H936 PolarHBondContact N-O 2.83Å; M923-H936 WeakPolarHBondContact O-CB 3.26Å; M923-H936 PolarHBondContact O-CD2 2.92Å; M923-H936 PolarHBondContact O-N 3.22Å; M923-L938 HydrophobicContact CB-CD1 4.1Å; M923-L938 HydrophobicContact CB-CD2 3.78Å; M923-L938 HydrophobicContact CB-CG 3.94Å; M923-L938 HydrophobicContact CE-CD2 3.98Å; M923-L938 HydrophobicContact SD-CD2 4.16Å |
| 924 | M | 96.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 143.4 | 163.8 | -60.7 | -61 | -65.5 | 0 | 0 | 108.6 | W915 L916 F917 T922 F934 V962 L984 F1004 | W915-M924 HydrophobicContact CH2-CB 4.37Å; W915-M924 HydrophobicContact CZ3-CB 3.95Å; L916-M924 CarbonylContact C-O 3.52Å; L916-M924 VanDerWaalsContact CA-O 3.23Å; L916-M924 WeakPolarHBondContact CA-O 3.37Å; L916-M924 WeakPolarHBondContact CB-O 3.2Å; F917-M924 PolarHBondContact N-O 2.87Å; F917-M924 PolarHBondContact O-N 2.82Å; T922-M924 HydrophobicContact CG2-SD 4.31Å; M924-F934 CarbonylContact C-O 3.56Å; M924-F934 WeakPolarHBondContact CA-O 3.39Å; M924-V962 HydrophobicContact CE-CG2 4.06Å; M924-L984 HydrophobicContact CB-CD1 3.94Å; M924-L984 HydrophobicContact CE-CD1 4.11Å; M924-L984 HydrophobicContact CG-CD1 3.75Å; M924-F1004 HydrophobicContact CE-CB 4.49Å; M924-F1004 HydrophobicContact CG-CD2 3.57Å; M924-F1004 HydrophobicContact CG-CE2 3.9Å; M924-F1004 HydrophobicContact SD-CD2 3.9Å |
| 925 | S | 96.9 | Very high | 94 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 149.9 | 171.6 | 78.4 | 0 | 0 | 0 | 0 | 113.1 | W915 S927 L933 F934 H936 | W915-S925 CarbonylContact O-C 3.51Å; W915-S925 WeakPolarHBondContact O-CA 3.39Å; W915-S925 WeakPolarHBondContact O-CB 3.45Å; S925-S927 PolarHBondContact OG-OG 2.97Å; S925-L933 CarbonylContact O-C 3.53Å; S925-L933 VanDerWaalsContact O-CA 3.29Å; S925-L933 WeakPolarHBondContact O-CA 3.38Å; S925-F934 PolarHBondContact N-O 2.95Å; S925-F934 PolarHBondContact O-N 3.14Å; S925-H936 PolarHBondContact OG-NE2 2.85Å |
| 926 | I | 97 | Very high | 94 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 107.6 | 160.8 | -63.4 | 179.3 | 0 | 0 | 0 | 107.1 | C913 L914 W915 P931 Q932 L933 C968 A971 | C913-I926 WeakPolarHBondContact CA-O 3.5Å; L914-I926 HydrophobicContact CB-CG2 4.32Å; L914-I926 HydrophobicContact CD1-CG2 4.09Å; L914-I926 PolarHBondContact N-O 2.95Å; W915-I926 HydrophobicContact CB-CB 4.22Å; W915-I926 HydrophobicContact CB-CD1 4.23Å; W915-I926 HydrophobicContact CB-CG1 4.29Å; W915-I926 HydrophobicContact CE3-CG1 4.09Å; W915-I926 PolarHBondContact O-N 3.1Å; I926-P931 HydrophobicContact CG2-CB 3.72Å; I926-Q932 WeakPolarHBondContact CA-O 3.46Å; I926-L933 HydrophobicContact CG1-CD2 3.78Å; I926-L933 HydrophobicContact CG1-CG 4.34Å; I926-C968 VanDerWaalsContact CG2-O 3.25Å; I926-C968 WeakPolarHBondContact CG2-O 3.28Å; I926-A971 HydrophobicContact CD1-CB 3.77Å; I926-A971 HydrophobicContact CG1-CB 4.33Å |
| 927 | S | 94.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 152.3 | -171.1 | -75.8 | 0 | 0 | 0 | 0 | 114.5 | R912 S925 Q932 F934 | R912-S927 CarbonylContact O-C 3.53Å; R912-S927 WeakPolarHBondContact O-CA 3.34Å; R912-S927 WeakPolarHBondContact O-CB 3.19Å; S925-S927 PolarHBondContact OG-OG 2.97Å; S927-Q932 PolarHBondContact N-O 2.75Å; S927-F934 WeakPolarHBondContact O-CE2 3.23Å |
| 928 | G | 89.9 | Confident | 93.7 | Very high | 13 Ų | 13 | 30 Ų | 30 | 13% | 0.134 | 15% | 0.15 | C | C | . | . | S | Bend | trans | 108.6 | 173.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | R912 H930 | R912-G928 PolarHBondContact O-N 3.42Å; G928-H930 VanDerWaalsContact C-N 3.28Å; G928-H930 PolarHBondContact O-N 3.39Å |
| 929 | Q | 85.7 | Confident | 93.5 | Very high | 186 Ų | 186 | 30.9 Ų | 30.9 | 87% | 0.869 | 15% | 0.154 | S | C | * | . | S | Bend | trans | -64.6 | -32.7 | 176.4 | -72.1 | 174.7 | -37.2 | 0 | 0 | 112.6 | ||
| 930 | H | 89.1 | Confident | 93.2 | Very high | 109 Ų | 109 | 30.1 Ų | 30.1 | 51% | 0.505 | 16% | 0.155 | S | C | . | . | S | Bend | trans | -105.9 | 115.5 | 163.6 | -56.1 | -60.1 | 0 | 0 | 0 | 107 | G928 Q932 R966 | G928-H930 VanDerWaalsContact C-N 3.28Å; G928-H930 PolarHBondContact O-N 3.39Å; H930-Q932 PolarHBondContact O-N 2.94Å; H930-R966 HydrophobicContact CB-CG 4.05Å; H930-R966 PolarHBondContact CD2-NH2 3.45Å; H930-R966 PolarHBondContact NE2-NH2 3Å |
| 931 | P | 92 | Very high | 93.1 | Very high | 26 Ų | 26 | 26.7 Ų | 26.7 | 17% | 0.169 | 14% | 0.14 | C | C | . | . | trans | -49.7 | 124.4 | 179.2 | -31.7 | 38.4 | 0 | 0 | 0 | 111.6 | I385 L914 I926 G967 C968 | I385-P931 HydrophobicContact CD1-CG 4.33Å; L914-P931 HydrophobicContact CD1-CB 4.01Å; L914-P931 HydrophobicContact CD1-CG 3.7Å; I926-P931 HydrophobicContact CG2-CB 3.72Å; P931-G967 PolarHBondContact O-N 3.42Å; P931-C968 CarbonylContact C-O 3.52Å; P931-C968 WeakPolarHBondContact CB-O 3.4Å; P931-C968 PolarHBondContact O-N 3.36Å | ||
| 932 | Q | 94.5 | Very high | 92.7 | Very high | 10 Ų | 10 | 26.5 Ų | 26.5 | 5% | 0.047 | 14% | 0.139 | C | C | . | . | trans | -155.1 | 145.4 | -177.6 | 177.8 | 145.5 | 28.9 | 0 | 0 | 110.7 | I926 S927 H930 F934 K961 V962 T965 | I926-Q932 WeakPolarHBondContact CA-O 3.46Å; S927-Q932 PolarHBondContact N-O 2.75Å; H930-Q932 PolarHBondContact O-N 2.94Å; Q932-F934 HydrophobicContact CB-CE2 4.28Å; Q932-F934 HydrophobicContact CG-CE2 4.43Å; Q932-F934 WeakPolarHBondContact O-CD2 3.44Å; Q932-K961 VanDerWaalsContact CD-CE 3.49Å; Q932-K961 HydrophobicContact CG-CD 4.44Å; Q932-K961 HydrophobicContact CG-CG 4.27Å; Q932-K961 VanDerWaalsContact NE2-CE 3.25Å; Q932-K961 VanDerWaalsContact OE1-CE 3.25Å; Q932-V962 PolarHBondContact NE2-O 3.47Å; Q932-T965 WeakPolarHBondContact CA-O 3.35Å; Q932-T965 WeakPolarHBondContact CG-OG1 3.46Å; Q932-T965 PolarHBondContact NE2-OG1 2.82Å; Q932-T965 VanDerWaalsContact NE2-OG1 3.09Å | ||
| 933 | L | 96.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 131.7 | 175.2 | -75.4 | 166.4 | 0 | 0 | 0 | 112.3 | W915 S925 I926 V962 T965 C968 A971 L984 L993 | W915-L933 HydrophobicContact CZ3-CD2 4.15Å; S925-L933 CarbonylContact O-C 3.53Å; S925-L933 VanDerWaalsContact O-CA 3.29Å; S925-L933 WeakPolarHBondContact O-CA 3.38Å; I926-L933 HydrophobicContact CG1-CD2 3.78Å; I926-L933 HydrophobicContact CG1-CG 4.34Å; L933-V962 HydrophobicContact CB-CB 4.03Å; L933-V962 HydrophobicContact CB-CG2 3.92Å; L933-V962 WeakPolarHBondContact O-CB 3.46Å; L933-V962 PolarHBondContact O-N 3.08Å; L933-T965 HydrophobicContact CB-CG2 4.29Å; L933-T965 HydrophobicContact CD1-CG2 4.08Å; L933-C968 HydrophobicContact CG-CB 4.3Å; L933-A971 HydrophobicContact CD2-CB 4.42Å; L933-L984 HydrophobicContact CD1-CD2 4.11Å; L933-L993 HydrophobicContact CD1-CD2 3.74Å |
| 934 | F | 95.9 | Very high | 90.8 | Very high | 19 Ų | 19 | 32.4 Ų | 32.4 | 8% | 0.083 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 146.3 | 169.3 | -74.5 | -100.4 | 0 | 0 | 0 | 109.7 | M924 S925 S927 Q932 H936 T959 V960 K961 | M924-F934 CarbonylContact C-O 3.56Å; M924-F934 WeakPolarHBondContact CA-O 3.39Å; S925-F934 PolarHBondContact N-O 2.95Å; S925-F934 PolarHBondContact O-N 3.14Å; S927-F934 WeakPolarHBondContact O-CE2 3.23Å; Q932-F934 HydrophobicContact CB-CE2 4.28Å; Q932-F934 HydrophobicContact CG-CE2 4.43Å; Q932-F934 WeakPolarHBondContact O-CD2 3.44Å; F934-H936 VanDerWaalsContact CB-NE2 3.33Å; F934-H936 WeakPolarHBondContact CB-NE2 3.32Å; F934-T959 HydrophobicContact CD1-CG2 3.76Å; F934-T959 HydrophobicContact CE1-CG2 4.48Å; F934-V960 WeakPolarHBondContact CA-O 3.17Å; F934-K961 HydrophobicContact CD1-CB 3.96Å; F934-K961 HydrophobicContact CE1-CB 3.63Å; F934-K961 HydrophobicContact CE1-CG 4.35Å; F934-K961 HydrophobicContact CZ-CB 4.12Å; F934-K961 HydrophobicContact CZ-CD 4.44Å; F934-K961 HydrophobicContact CZ-CG 4.36Å |
| 935 | S | 95.1 | Very high | 89.2 | Confident | 19 Ų | 19 | 36.3 Ų | 36.3 | 13% | 0.133 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 129.5 | 170.1 | 176.2 | 0 | 0 | 0 | 0 | 108.6 | T922 T959 V960 T1003 | T922-S935 WeakPolarHBondContact CG2-OG 3.38Å; S935-T959 CarbonylContact O-C 3.54Å; S935-T959 WeakPolarHBondContact O-CA 3.44Å; S935-V960 PolarHBondContact N-O 3.27Å; S935-V960 PolarHBondContact O-N 2.86Å; S935-T1003 PolarHBondContact OG-OG1 3.5Å |
| 936 | H | 94.5 | Very high | 87 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 121.9 | -171.4 | -59.9 | -97.6 | 0 | 0 | 0 | 109.8 | T922 M923 S925 F934 L938 L941 P958 T959 | T922-H936 CarbonylContact C-O 3.54Å; T922-H936 WeakPolarHBondContact CA-O 3.3Å; M923-H936 HydrophobicContact CB-CB 4.13Å; M923-H936 HydrophobicContact CE-CB 3.72Å; M923-H936 PolarHBondContact N-O 2.83Å; M923-H936 WeakPolarHBondContact O-CB 3.26Å; M923-H936 PolarHBondContact O-CD2 2.92Å; M923-H936 PolarHBondContact O-N 3.22Å; S925-H936 PolarHBondContact OG-NE2 2.85Å; F934-H936 VanDerWaalsContact CB-NE2 3.33Å; F934-H936 WeakPolarHBondContact CB-NE2 3.32Å; H936-L938 PolarHBondContact O-N 3.32Å; H936-L941 HydrophobicContact CB-CD1 3.77Å; H936-P958 WeakPolarHBondContact CA-O 3.13Å; H936-T959 VanDerWaalsContact CE1-CG2 3.41Å; H936-T959 WeakPolarHBondContact CE1-CG2 3.41Å; H936-T959 VanDerWaalsContact ND1-CG2 3.34Å; H936-T959 WeakPolarHBondContact ND1-CG2 3.41Å; H936-T959 PolarHBondContact ND1-OG1 3.14Å |
| 937 | N | 93 | Very high | 84.3 | Confident | 53 Ų | 53 | 43.4 Ų | 43.4 | 28% | 0.283 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 108.8 | 172.7 | -178.1 | -100.3 | 0 | 0 | 0 | 109.4 | S940 L941 P958 | N937-S940 PolarHBondContact O-N 3.12Å; N937-S940 WeakPolarHBondContact OD1-CB 3.29Å; N937-S940 PolarHBondContact OD1-N 3.49Å; N937-S940 PolarHBondContact OD1-OG 3.33Å; N937-L941 PolarHBondContact O-N 2.96Å; N937-P958 PolarHBondContact N-O 3.11Å |
| 938 | L | 93.2 | Very high | 81.5 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.4 | -46.4 | -170.4 | -68 | 175.1 | 0 | 0 | 0 | 112 | W874 L885 L908 V918 D921 M923 H936 S940 L941 M942 | W874-L938 HydrophobicContact CB-CD1 4.06Å; W874-L938 HydrophobicContact CD2-CB 4.11Å; W874-L938 HydrophobicContact CD2-CD1 3.48Å; W874-L938 VanDerWaalsContact CD2-CD1 3.48Å; W874-L938 HydrophobicContact CD2-CG 4.41Å; W874-L938 HydrophobicContact CE3-CB 4.14Å; W874-L938 HydrophobicContact CE3-CD1 3.95Å; W874-L938 HydrophobicContact CG-CD1 3.52Å; W874-L938 HydrophobicContact CH2-CB 3.71Å; W874-L938 HydrophobicContact CZ2-CB 3.62Å; W874-L938 HydrophobicContact CZ2-CD1 4.44Å; W874-L938 HydrophobicContact CZ3-CB 3.96Å; L885-L938 HydrophobicContact CD1-CD1 3.93Å; L885-L938 HydrophobicContact CD1-CD2 4.06Å; L885-L938 HydrophobicContact CD2-CD2 4.5Å; L908-L938 HydrophobicContact CD2-CD2 4.05Å; V918-L938 HydrophobicContact CG1-CD1 3.72Å; V918-L938 HydrophobicContact CG2-CD1 4.18Å; D921-L938 PolarHBondContact O-N 3.44Å; M923-L938 HydrophobicContact CB-CD1 4.1Å; M923-L938 HydrophobicContact CB-CD2 3.78Å; M923-L938 HydrophobicContact CB-CG 3.94Å; M923-L938 HydrophobicContact CE-CD2 3.98Å; M923-L938 HydrophobicContact SD-CD2 4.16Å; H936-L938 PolarHBondContact O-N 3.32Å; L938-S940 VanDerWaalsContact C-N 3.31Å; L938-S940 PolarHBondContact O-N 3.04Å; L938-L941 PolarHBondContact O-N 3.44Å; L938-L941 VanDerWaalsContact O-N 3.09Å; L938-M942 WeakPolarHBondContact O-CG 3.41Å; L938-M942 PolarHBondContact O-N 3.33Å |
| 939 | I | 90.3 | Very high | 78.8 | Confident | 27 Ų | 27 | 52.3 Ų | 52.3 | 14% | 0.138 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -52.9 | -49 | 174.2 | -63.6 | 170.2 | 0 | 0 | 0 | 111.1 | W874 P877 E878 D921 L941 K943 | W874-I939 HydrophobicContact CH2-CG1 4.41Å; W874-I939 HydrophobicContact CZ2-CG1 3.99Å; P877-I939 HydrophobicContact CG-CD1 3.77Å; P877-I939 HydrophobicContact CG-CG1 4.21Å; E878-I939 WeakPolarHBondContact OE1-CG2 3.14Å; D921-I939 HydrophobicContact CB-CD1 3.86Å; D921-I939 HydrophobicContact CB-CG1 4.03Å; D921-I939 VanDerWaalsContact CG-CD1 3.5Å; I939-L941 VanDerWaalsContact C-N 3.34Å; I939-L941 PolarHBondContact O-N 2.89Å; I939-K943 HydrophobicContact CG2-CD 4.15Å; I939-K943 WeakPolarHBondContact O-CB 3.23Å; I939-K943 WeakPolarHBondContact O-CG 3.46Å; I939-K943 PolarHBondContact O-N 2.99Å |
| 940 | S | 87.2 | Confident | 76.5 | Confident | 37 Ų | 37 | 52.9 Ų | 52.9 | 26% | 0.259 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -71 | -28.6 | -179.4 | -58 | 0 | 0 | 0 | 0 | 112.9 | N937 L938 S944 | N937-S940 PolarHBondContact O-N 3.12Å; N937-S940 WeakPolarHBondContact OD1-CB 3.29Å; N937-S940 PolarHBondContact OD1-N 3.49Å; N937-S940 PolarHBondContact OD1-OG 3.33Å; L938-S940 VanDerWaalsContact C-N 3.31Å; L938-S940 PolarHBondContact O-N 3.04Å; S940-S944 VanDerWaalsContact O-CB 3.3Å; S940-S944 WeakPolarHBondContact O-CB 3.28Å; S940-S944 PolarHBondContact O-N 3.1Å; S940-S944 PolarHBondContact O-OG 3.27Å |
| 941 | L | 88.4 | Confident | 74.3 | Confident | 13 Ų | 13 | 57.5 Ų | 57.5 | 7% | 0.068 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -69.3 | -50.2 | 173.3 | -86.2 | 171.5 | 0 | 0 | 0 | 111.4 | L908 V909 H936 N937 L938 I939 K943 S944 R945 P958 | L908-L941 HydrophobicContact CD1-CB 3.96Å; L908-L941 HydrophobicContact CD2-CD1 4.4Å; L908-L941 HydrophobicContact CG-CB 4.49Å; L908-L941 HydrophobicContact CG-CD1 4.34Å; V909-L941 HydrophobicContact CG2-CD1 4.17Å; H936-L941 HydrophobicContact CB-CD1 3.77Å; N937-L941 PolarHBondContact O-N 2.96Å; L938-L941 PolarHBondContact O-N 3.44Å; L938-L941 VanDerWaalsContact O-N 3.09Å; I939-L941 VanDerWaalsContact C-N 3.34Å; I939-L941 PolarHBondContact O-N 2.89Å; L941-K943 VanDerWaalsContact C-N 3.32Å; L941-K943 PolarHBondContact O-N 3.45Å; L941-S944 WeakPolarHBondContact O-CA 3.49Å; L941-S944 PolarHBondContact O-N 3.03Å; L941-S944 PolarHBondContact O-OG 2.96Å; L941-R945 PolarHBondContact O-N 3.4Å; L941-R945 VanDerWaalsContact O-N 3.17Å; L941-P958 HydrophobicContact CB-CB 4.48Å; L941-P958 HydrophobicContact CD2-CB 3.86Å; L941-P958 HydrophobicContact CG-CB 3.78Å |
| 942 | M | 86 | Confident | 71.8 | Confident | 38 Ų | 38 | 59.6 Ų | 59.6 | 19% | 0.187 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -57.4 | -46.1 | 176.3 | -63.8 | -61.3 | -83.2 | 0 | 0 | 110.6 | W874 I883 Y894 L908 L938 S944 R945 T946 | W874-M942 HydrophobicContact CH2-CG 4.21Å; W874-M942 HydrophobicContact CZ3-CG 3.98Å; I883-M942 HydrophobicContact CD1-CE 4.21Å; Y894-M942 HydrophobicContact CD1-SD 4.47Å; Y894-M942 HydrophobicContact CE1-CE 4.14Å; Y894-M942 HydrophobicContact CE1-SD 4Å; Y894-M942 HydrophobicContact CE2-CE 4Å; L908-M942 HydrophobicContact CD1-SD 3.78Å; L938-M942 WeakPolarHBondContact O-CG 3.41Å; L938-M942 PolarHBondContact O-N 3.33Å; M942-S944 VanDerWaalsContact C-N 3.33Å; M942-S944 PolarHBondContact O-N 3.13Å; M942-R945 WeakPolarHBondContact O-CB 3.25Å; M942-R945 PolarHBondContact O-N 3.31Å; M942-R945 VanDerWaalsContact O-N 3.11Å; M942-T946 PolarHBondContact O-N 2.94Å |
| 943 | K | 81.7 | Confident | 69.5 | Low | 85 Ų | 85 | 66.4 Ų | 66.4 | 37% | 0.37 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -62.8 | -33.6 | 173 | -76.5 | 178 | 168.7 | 163.6 | 0 | 113.5 | E878 I939 L941 R945 T946 S947 | E878-K943 IonicContact OE1-NZ 2.8Å; E878-K943 PolarHBondContact OE1-NZ 2.89Å; E878-K943 WeakPolarHBondContact OE2-CE 3.38Å; E878-K943 IonicContact OE2-NZ 2.79Å; E878-K943 PolarHBondContact OE2-NZ 3.45Å; I939-K943 HydrophobicContact CG2-CD 4.15Å; I939-K943 WeakPolarHBondContact O-CB 3.23Å; I939-K943 WeakPolarHBondContact O-CG 3.46Å; I939-K943 PolarHBondContact O-N 2.99Å; L941-K943 VanDerWaalsContact C-N 3.32Å; L941-K943 PolarHBondContact O-N 3.45Å; K943-R945 PolarHBondContact O-N 2.96Å; K943-T946 CarbonylContact O-C 3.5Å; K943-T946 PolarHBondContact O-N 2.85Å; K943-T946 PolarHBondContact O-OG1 3.36Å; K943-T946 VanDerWaalsContact O-OG1 3.08Å; K943-S947 WeakPolarHBondContact O-CB 3.47Å; K943-S947 PolarHBondContact O-N 2.89Å |
| 944 | S | 68.7 | Low | 66.9 | Low | 45 Ų | 45 | 75 Ų | 75 | 32% | 0.315 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -70.6 | -17.8 | 175.4 | 75.3 | 0 | 0 | 0 | 0 | 114 | S940 L941 M942 S947 | S940-S944 VanDerWaalsContact O-CB 3.3Å; S940-S944 WeakPolarHBondContact O-CB 3.28Å; S940-S944 PolarHBondContact O-N 3.1Å; S940-S944 PolarHBondContact O-OG 3.27Å; L941-S944 WeakPolarHBondContact O-CA 3.49Å; L941-S944 PolarHBondContact O-N 3.03Å; L941-S944 PolarHBondContact O-OG 2.96Å; M942-S944 VanDerWaalsContact C-N 3.33Å; M942-S944 PolarHBondContact O-N 3.13Å; S944-S947 CarbonylContact O-C 3.51Å; S944-S947 VanDerWaalsContact O-O 3.1Å |
| 945 | R | 62.5 | Low | 64.5 | Low | 82 Ų | 82 | 84.3 Ų | 84.3 | 31% | 0.309 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -76.5 | -36.7 | 169.9 | -62.2 | 177.9 | 89.7 | -110.7 | 0.9 | 111.3 | Y894 E906 L907 L941 M942 K943 S947 | Y894-R945 PolarHBondContact OH-NH1 3.26Å; E906-R945 IonicContact OE1-NH1 3.2Å; E906-R945 IonicContact OE2-CZ 3.29Å; E906-R945 IonicContact OE2-NH1 3.9Å; E906-R945 PolarHBondContact OE2-NH1 2.78Å; E906-R945 IonicContact OE2-NH2 3.65Å; E906-R945 PolarHBondContact OE2-NH2 2.9Å; L907-R945 PolarHBondContact O-NE 2.85Å; L907-R945 VanDerWaalsContact O-NE 3.07Å; L907-R945 PolarHBondContact O-NH2 2.85Å; L941-R945 PolarHBondContact O-N 3.4Å; L941-R945 VanDerWaalsContact O-N 3.17Å; M942-R945 WeakPolarHBondContact O-CB 3.25Å; M942-R945 PolarHBondContact O-N 3.31Å; M942-R945 VanDerWaalsContact O-N 3.11Å; K943-R945 PolarHBondContact O-N 2.96Å; R945-S947 VanDerWaalsContact C-N 3.29Å; R945-S947 PolarHBondContact O-N 2.81Å |
| 946 | T | 51.8 | Low | 62.5 | Low | 114 Ų | 114 | 89.9 Ų | 89.9 | 70% | 0.699 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -83.4 | 1 | 173 | 62.9 | 0 | 0 | 0 | 0 | 113.9 | M942 K943 | M942-T946 PolarHBondContact O-N 2.94Å; K943-T946 CarbonylContact O-C 3.5Å; K943-T946 PolarHBondContact O-N 2.85Å; K943-T946 PolarHBondContact O-OG1 3.36Å; K943-T946 VanDerWaalsContact O-OG1 3.08Å |
| 947 | S | 39.8 | Very low | 61.2 | Low | 35 Ų | 35 | 94.2 Ų | 94.2 | 25% | 0.245 | 44% | 0.441 | C | S | . | . | trans | -158.1 | 107.2 | -175.1 | -89.3 | 0 | 0 | 0 | 0 | 113.8 | Y309 K943 S944 R945 T949 | Y309-S947 VanDerWaalsContact OH-C 3.26Å; Y309-S947 WeakPolarHBondContact OH-CA 3.43Å; Y309-S947 WeakPolarHBondContact OH-CB 3.47Å; Y309-S947 PolarHBondContact OH-OG 2.74Å; K943-S947 WeakPolarHBondContact O-CB 3.47Å; K943-S947 PolarHBondContact O-N 2.89Å; S944-S947 CarbonylContact O-C 3.51Å; S944-S947 VanDerWaalsContact O-O 3.1Å; R945-S947 VanDerWaalsContact C-N 3.29Å; R945-S947 PolarHBondContact O-N 2.81Å; S947-T949 PolarHBondContact O-N 3.34Å | ||
| 948 | Q | 36.8 | Very low | 60.8 | Low | 131 Ų | 131 | 92.7 Ų | 92.7 | 61% | 0.612 | 43% | 0.434 | S | S | * | . | trans | -70.4 | 52.4 | 175.8 | -56.5 | -167 | 39 | 0 | 0 | 114.8 | Y309 R950 | Y309-Q948 HydrophobicContact CE1-CB 3.95Å; Y309-Q948 VanDerWaalsContact CE1-N 3.26Å; Y309-Q948 PolarHBondContact OH-N 3.01Å; Q948-R950 VanDerWaalsContact C-N 3.33Å; Q948-R950 PolarHBondContact O-N 2.97Å | ||
| 949 | T | 32.6 | Very low | 60.7 | Low | 70 Ų | 70 | 94.2 Ų | 94.2 | 43% | 0.429 | 44% | 0.443 | S | S | . | . | trans | -73 | 82.5 | 176.2 | 47.5 | 0 | 0 | 0 | 0 | 111.9 | S947 F951 | S947-T949 PolarHBondContact O-N 3.34Å; T949-F951 PolarHBondContact O-N 2.84Å; T949-F951 VanDerWaalsContact O-N 3.08Å | ||
| 950 | R | 37.5 | Very low | 60.7 | Low | 198 Ų | 198 | 96.1 Ų | 96.1 | 75% | 0.747 | 46% | 0.456 | S | S | * | . | trans | -74.9 | 3.4 | -167.7 | -132 | 179.6 | -78.5 | -176.6 | -3 | 116 | Q948 | Q948-R950 VanDerWaalsContact C-N 3.33Å; Q948-R950 PolarHBondContact O-N 2.97Å | ||
| 951 | F | 42.5 | Very low | 61 | Low | 206 Ų | 206 | 99.4 Ų | 99.4 | 90% | 0.904 | 47% | 0.465 | S | S | * | . | trans | -130.4 | 63.4 | -178.2 | -72.7 | -78.9 | 0 | 0 | 0 | 113.3 | T949 | T949-F951 PolarHBondContact O-N 2.84Å; T949-F951 VanDerWaalsContact O-N 3.08Å | ||
| 952 | L | 39.6 | Very low | 61.2 | Low | 69 Ų | 69 | 99.6 Ų | 99.6 | 36% | 0.361 | 47% | 0.467 | S | S | . | . | trans | -92 | 125.4 | 168 | -69.7 | 168.8 | 0 | 0 | 0 | 111 | F956 Q957 P958 | L952-F956 HydrophobicContact CD2-CB 4.46Å; L952-Q957 HydrophobicContact CB-CG 4.34Å; L952-Q957 PolarHBondContact O-NE2 3.36Å; L952-P958 HydrophobicContact CD1-CG 4.26Å | ||
| 953 | H | 45.6 | Very low | 61.5 | Low | 154 Ų | 154 | 101.7 Ų | 101.7 | 71% | 0.713 | 48% | 0.483 | S | S | * | . | trans | -49.3 | 144.5 | 169.8 | -115.6 | -167.2 | 0 | 0 | 0 | 110.4 | R955 F956 Q957 | H953-R955 PolarHBondContact O-N 3.45Å; H953-F956 HydrophobicContact CB-CD2 3.99Å; H953-F956 PolarHBondContact O-N 2.92Å; H953-Q957 PolarHBondContact O-N 3.15Å | ||
| 954 | K | 42.8 | Very low | 62 | Low | 180 Ų | 180 | 103.6 Ų | 103.6 | 78% | 0.783 | 50% | 0.498 | S | S | * | . | G | 310 helix | trans | -47.7 | -35.6 | -175 | -76.3 | -177 | 176.5 | 177.4 | 0 | 114.2 | F956 | K954-F956 VanDerWaalsContact C-N 3.29Å; K954-F956 PolarHBondContact O-N 2.95Å |
| 955 | R | 44.3 | Very low | 63.2 | Low | 215 Ų | 215 | 101.5 Ų | 101.5 | 81% | 0.811 | 48% | 0.483 | S | S | * | . | G | 310 helix | trans | -70.7 | -16.4 | 179.1 | -171.7 | 171.8 | 178.3 | 177.1 | -1.9 | 114.8 | H953 | H953-R955 PolarHBondContact O-N 3.45Š|
| 956 | F | 54 | Low | 64.7 | Low | 136 Ų | 136 | 105 Ų | 105 | 60% | 0.596 | 50% | 0.496 | S | S | * | . | G | 310 helix | trans | -119.9 | 13.7 | -177.1 | -57.8 | -65.1 | 0 | 0 | 0 | 112.9 | L952 H953 K954 | L952-F956 HydrophobicContact CD2-CB 4.46Å; H953-F956 HydrophobicContact CB-CD2 3.99Å; H953-F956 PolarHBondContact O-N 2.92Å; K954-F956 VanDerWaalsContact C-N 3.29Å; K954-F956 PolarHBondContact O-N 2.95Å |
| 957 | Q | 67.8 | Low | 66.6 | Low | 90 Ų | 90 | 100.7 Ų | 100.7 | 42% | 0.421 | 47% | 0.474 | S | S | . | . | trans | -70.1 | 133.5 | 174.6 | -67.6 | -176.4 | -0.3 | 0 | 0 | 109.2 | L952 H953 T959 | L952-Q957 HydrophobicContact CB-CG 4.34Å; L952-Q957 PolarHBondContact O-NE2 3.36Å; H953-Q957 PolarHBondContact O-N 3.15Å; Q957-T959 PolarHBondContact O-N 3.45Å | ||
| 958 | P | 84.4 | Confident | 69.2 | Low | 22 Ų | 22 | 99 Ų | 99 | 14% | 0.143 | 46% | 0.463 | C | S | . | . | S | Bend | trans | -61.8 | -5.4 | -179.7 | -24.8 | 34.5 | 0 | 0 | 0 | 114.9 | H936 N937 L941 L952 | H936-P958 WeakPolarHBondContact CA-O 3.13Å; N937-P958 PolarHBondContact N-O 3.11Å; L941-P958 HydrophobicContact CB-CB 4.48Å; L941-P958 HydrophobicContact CD2-CB 3.86Å; L941-P958 HydrophobicContact CG-CB 3.78Å; L952-P958 HydrophobicContact CD1-CG 4.26Å |
| 959 | T | 90.4 | Very high | 71.7 | Confident | 31 Ų | 31 | 95.4 Ų | 95.4 | 19% | 0.19 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 122.3 | 176.2 | -67 | 0 | 0 | 0 | 0 | 108.5 | F934 S935 H936 Q957 | F934-T959 HydrophobicContact CD1-CG2 3.76Å; F934-T959 HydrophobicContact CE1-CG2 4.48Å; S935-T959 CarbonylContact O-C 3.54Å; S935-T959 WeakPolarHBondContact O-CA 3.44Å; H936-T959 VanDerWaalsContact CE1-CG2 3.41Å; H936-T959 WeakPolarHBondContact CE1-CG2 3.41Å; H936-T959 VanDerWaalsContact ND1-CG2 3.34Å; H936-T959 WeakPolarHBondContact ND1-CG2 3.41Å; H936-T959 PolarHBondContact ND1-OG1 3.14Å; Q957-T959 PolarHBondContact O-N 3.45Å |
| 960 | V | 91.3 | Very high | 74.6 | Confident | 67 Ų | 67 | 92.2 Ų | 92.2 | 41% | 0.406 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 128.1 | -179.1 | -179.5 | 0 | 0 | 0 | 0 | 108.4 | F934 S935 | F934-V960 WeakPolarHBondContact CA-O 3.17Å; S935-V960 PolarHBondContact N-O 3.27Å; S935-V960 PolarHBondContact O-N 2.86Å |
| 961 | K | 93 | Very high | 77.3 | Confident | 106 Ų | 106 | 82.8 Ų | 82.8 | 46% | 0.461 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 129.1 | 170.1 | 169.6 | 172 | 137.3 | 150.3 | 0 | 109 | Q932 F934 | Q932-K961 VanDerWaalsContact CD-CE 3.49Å; Q932-K961 HydrophobicContact CG-CD 4.44Å; Q932-K961 HydrophobicContact CG-CG 4.27Å; Q932-K961 VanDerWaalsContact NE2-CE 3.25Å; Q932-K961 VanDerWaalsContact OE1-CE 3.25Å; F934-K961 HydrophobicContact CD1-CB 3.96Å; F934-K961 HydrophobicContact CE1-CB 3.63Å; F934-K961 HydrophobicContact CE1-CG 4.35Å; F934-K961 HydrophobicContact CZ-CB 4.12Å; F934-K961 HydrophobicContact CZ-CD 4.44Å; F934-K961 HydrophobicContact CZ-CG 4.36Å |
| 962 | V | 92.8 | Very high | 79.8 | Confident | 17 Ų | 17 | 73.6 Ų | 73.6 | 10% | 0.103 | 35% | 0.35 | C | S | . | . | P | Polyproline II helix | trans | -70.4 | 128.6 | 169.7 | -173.4 | 0 | 0 | 0 | 0 | 107.8 | M924 Q932 L933 T965 M995 | M924-V962 HydrophobicContact CE-CG2 4.06Å; Q932-V962 PolarHBondContact NE2-O 3.47Å; L933-V962 HydrophobicContact CB-CB 4.03Å; L933-V962 HydrophobicContact CB-CG2 3.92Å; L933-V962 WeakPolarHBondContact O-CB 3.46Å; L933-V962 PolarHBondContact O-N 3.08Å; V962-T965 HydrophobicContact CB-CG2 4.27Å; V962-T965 HydrophobicContact CG1-CG2 3.84Å; V962-T965 PolarHBondContact O-OG1 3.05Å; V962-M995 HydrophobicContact CG1-CE 3.97Å |
| 963 | P | 91.9 | Very high | 82.4 | Confident | 82 Ų | 82 | 71.9 Ų | 71.9 | 53% | 0.532 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | 154.3 | 174.1 | -25.7 | 35.6 | 0 | 0 | 0 | 112.1 | T965 | P963-T965 WeakPolarHBondContact O-CG2 3.44Å; P963-T965 PolarHBondContact O-N 3.07Å; P963-T965 PolarHBondContact O-OG1 3.34Å |
| 964 | D | 91.1 | Very high | 84.6 | Confident | 126 Ų | 126 | 65.7 Ų | 65.7 | 67% | 0.674 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.5 | 29.7 | 159.6 | -45 | -41.5 | 0 | 0 | 0 | 117 | R1009 | D964-R1009 PolarHBondContact O-NH1 3.42Å; D964-R1009 PolarHBondContact O-NH2 3.27Å; D964-R1009 VanDerWaalsContact O-NH2 3.1Å |
| 965 | T | 95.3 | Very high | 86.9 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 29% | 0.294 | C | S | . | . | trans | -118.1 | 15.3 | 176.4 | 50.9 | 0 | 0 | 0 | 0 | 113.1 | Q932 L933 V962 P963 G967 C968 I988 L993 | Q932-T965 WeakPolarHBondContact CA-O 3.35Å; Q932-T965 WeakPolarHBondContact CG-OG1 3.46Å; Q932-T965 PolarHBondContact NE2-OG1 2.82Å; Q932-T965 VanDerWaalsContact NE2-OG1 3.09Å; L933-T965 HydrophobicContact CB-CG2 4.29Å; L933-T965 HydrophobicContact CD1-CG2 4.08Å; V962-T965 HydrophobicContact CB-CG2 4.27Å; V962-T965 HydrophobicContact CG1-CG2 3.84Å; V962-T965 PolarHBondContact O-OG1 3.05Å; P963-T965 WeakPolarHBondContact O-CG2 3.44Å; P963-T965 PolarHBondContact O-N 3.07Å; P963-T965 PolarHBondContact O-OG1 3.34Å; T965-G967 PolarHBondContact O-N 2.88Å; T965-C968 WeakPolarHBondContact O-CB 3.36Å; T965-C968 PolarHBondContact O-N 3.46Å; T965-I988 HydrophobicContact CG2-CD1 4Å; T965-L993 HydrophobicContact CG2-CD2 3.54Å | ||
| 966 | R | 93.8 | Very high | 89 | Confident | 155 Ų | 155 | 51.3 Ų | 51.3 | 59% | 0.585 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | 124.4 | 173.4 | -173.6 | -172.6 | -176.9 | -168.9 | 2.2 | 108.2 | H930 | H930-R966 HydrophobicContact CB-CG 4.05Å; H930-R966 PolarHBondContact CD2-NH2 3.45Å; H930-R966 PolarHBondContact NE2-NH2 3Å |
| 967 | G | 91.4 | Very high | 90.3 | Very high | 24 Ų | 24 | 50 Ų | 50 | 25% | 0.247 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 94.9 | 4.9 | -169.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | P931 T965 Y969 | P931-G967 PolarHBondContact O-N 3.42Å; T965-G967 PolarHBondContact O-N 2.88Å; G967-Y969 WeakPolarHBondContact O-CD1 3.38Å; G967-Y969 PolarHBondContact O-N 2.77Å |
| 968 | C | 94 | Very high | 91.1 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 109.7 | 166.3 | -168.9 | 0 | 0 | 0 | 0 | 108.9 | I926 P931 L933 T965 A987 I988 | I926-C968 VanDerWaalsContact CG2-O 3.25Å; I926-C968 WeakPolarHBondContact CG2-O 3.28Å; P931-C968 CarbonylContact C-O 3.52Å; P931-C968 WeakPolarHBondContact CB-O 3.4Å; P931-C968 PolarHBondContact O-N 3.36Å; L933-C968 HydrophobicContact CG-CB 4.3Å; T965-C968 WeakPolarHBondContact O-CB 3.36Å; T965-C968 PolarHBondContact O-N 3.46Å; C968-A987 WeakPolarHBondContact CA-O 3.47Å; C968-I988 HydrophobicContact CB-CD1 4.36Å; C968-I988 HydrophobicContact CB-CG1 3.67Å |
| 969 | Y | 89.4 | Confident | 91 | Very high | 56 Ų | 56 | 53.3 Ų | 53.3 | 22% | 0.22 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | -22.5 | -175.7 | 57.9 | -92.8 | 0 | 0 | 0 | 113.3 | G967 A987 L1019 | G967-Y969 WeakPolarHBondContact O-CD1 3.38Å; G967-Y969 PolarHBondContact O-N 2.77Å; Y969-A987 WeakPolarHBondContact CD1-O 3.49Å; Y969-A987 HydrophobicContact CE1-CB 4.11Å; Y969-A987 HydrophobicContact CE2-CB 4.29Å; Y969-A987 PolarHBondContact N-O 3.44Å; Y969-L1019 HydrophobicContact CE2-CB 4.1Å; Y969-L1019 HydrophobicContact CE2-CD2 4.01Å; Y969-L1019 WeakPolarHBondContact OH-CD2 3.39Å |
| 970 | I | 92.9 | Very high | 90.6 | Very high | 2 Ų | 2 | 53.6 Ų | 53.6 | 1% | 0.01 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 139.1 | -177.9 | -168.5 | 161.5 | 0 | 0 | 0 | 108.8 | Q382 G986 A987 L1019 F1022 | Q382-I970 HydrophobicContact CB-CD1 3.67Å; Q382-I970 HydrophobicContact CB-CG1 4.21Å; Q382-I970 HydrophobicContact CG-CD1 3.78Å; Q382-I970 HydrophobicContact CG-CG1 4.15Å; I970-G986 CarbonylContact O-C 3.58Å; I970-G986 WeakPolarHBondContact O-CA 3.45Å; I970-A987 HydrophobicContact CG2-CB 3.48Å; I970-A987 VanDerWaalsContact CG2-CB 3.48Å; I970-A987 PolarHBondContact O-N 2.88Å; I970-L1019 HydrophobicContact CG2-CD2 4.15Å; I970-F1022 HydrophobicContact CD1-CB 3.53Å; I970-F1022 HydrophobicContact CD1-CD1 4.5Å; I970-F1022 HydrophobicContact CD1-CG 4.2Å; I970-F1022 HydrophobicContact CG1-CB 4.04Å; I970-F1022 HydrophobicContact CG1-CD1 4.07Å; I970-F1022 HydrophobicContact CG1-CG 4.27Å; I970-F1022 HydrophobicContact CG2-CD1 4.1Å; I970-F1022 HydrophobicContact CG2-CE1 4.38Å; I970-F1022 HydrophobicContact CG2-CG 4.19Å |
| 971 | A | 95 | Very high | 90.4 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 154.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | W915 I926 L933 C985 | W915-A971 HydrophobicContact CD2-CB 4.05Å; W915-A971 VanDerWaalsContact CE2-O 3.29Å; W915-A971 HydrophobicContact CE3-CB 3.96Å; W915-A971 HydrophobicContact CH2-CB 3.93Å; W915-A971 HydrophobicContact CZ2-CB 4.02Å; W915-A971 HydrophobicContact CZ3-CB 3.91Å; W915-A971 PolarHBondContact NE1-O 2.88Å; I926-A971 HydrophobicContact CD1-CB 3.77Å; I926-A971 HydrophobicContact CG1-CB 4.33Å; L933-A971 HydrophobicContact CD2-CB 4.42Å; A971-C985 CarbonylContact C-O 3.58Å; A971-C985 VanDerWaalsContact CA-O 3.24Å; A971-C985 WeakPolarHBondContact CA-O 3.4Å |
| 972 | T | 94.2 | Very high | 90.4 | Very high | 14 Ų | 14 | 50.4 Ų | 50.4 | 9% | 0.086 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 153.9 | -176.6 | -179.3 | 0 | 0 | 0 | 0 | 109.3 | L984 C985 F1022 L1024 | T972-L984 WeakPolarHBondContact O-CA 3.11Å; T972-C985 HydrophobicContact CG2-CB 4.47Å; T972-C985 PolarHBondContact N-O 2.86Å; T972-C985 PolarHBondContact O-N 2.84Å; T972-F1022 HydrophobicContact CG2-CD1 3.55Å; T972-F1022 HydrophobicContact CG2-CE1 3.73Å; T972-F1022 WeakPolarHBondContact CG2-O 3.35Å; T972-L1024 HydrophobicContact CG2-CD1 3.7Å; T972-L1024 HydrophobicContact CG2-CD2 4.18Å; T972-L1024 HydrophobicContact CG2-CG 3.58Å |
| 973 | V | 94.4 | Very high | 90.5 | Very high | 32 Ų | 32 | 50 Ų | 50 | 19% | 0.194 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 134.3 | -177.6 | -177.3 | 0 | 0 | 0 | 0 | 110.2 | W915 F917 K982 Y983 L984 F1004 | W915-V973 HydrophobicContact CH2-CG2 3.98Å; W915-V973 HydrophobicContact CZ2-CG2 4.05Å; F917-V973 HydrophobicContact CB-CG2 4.49Å; F917-V973 HydrophobicContact CD1-CB 4.15Å; F917-V973 HydrophobicContact CD1-CG1 4.29Å; F917-V973 HydrophobicContact CD1-CG2 3.6Å; F917-V973 HydrophobicContact CD2-CB 4.38Å; F917-V973 HydrophobicContact CD2-CG2 4.41Å; F917-V973 HydrophobicContact CE1-CB 3.96Å; F917-V973 HydrophobicContact CE1-CG1 3.65Å; F917-V973 HydrophobicContact CE1-CG2 3.84Å; F917-V973 HydrophobicContact CE2-CB 4.22Å; F917-V973 HydrophobicContact CE2-CG1 4.38Å; F917-V973 HydrophobicContact CG-CB 4.34Å; F917-V973 HydrophobicContact CG-CG2 3.9Å; F917-V973 HydrophobicContact CZ-CB 4Å; F917-V973 HydrophobicContact CZ-CG1 3.7Å; F917-V973 HydrophobicContact CZ-CG2 4.36Å; V973-K982 HydrophobicContact CG1-CD 4.48Å; V973-Y983 VanDerWaalsContact CA-O 3.29Å; V973-Y983 WeakPolarHBondContact CA-O 3.21Å; V973-Y983 WeakPolarHBondContact CG1-O 3.19Å; V973-L984 HydrophobicContact CG2-CB 3.85Å; V973-L984 HydrophobicContact CG2-CD1 3.99Å; V973-L984 HydrophobicContact CG2-CG 3.8Å; V973-F1004 HydrophobicContact CG1-CE1 4.49Å; V973-F1004 HydrophobicContact CG1-CZ 4.1Å |
| 974 | V | 92.6 | Very high | 90.7 | Very high | 25 Ų | 25 | 46 Ų | 46 | 15% | 0.152 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 147.9 | 178.3 | 69.9 | 0 | 0 | 0 | 0 | 110.9 | K982 Y983 L1024 I1026 P1033 | V974-K982 WeakPolarHBondContact O-CA 3.46Å; V974-Y983 PolarHBondContact N-O 2.9Å; V974-Y983 PolarHBondContact O-N 2.93Å; V974-L1024 HydrophobicContact CB-CB 3.86Å; V974-L1024 HydrophobicContact CB-CD1 3.84Å; V974-L1024 HydrophobicContact CB-CG 4.5Å; V974-L1024 HydrophobicContact CG1-CB 3.88Å; V974-L1024 HydrophobicContact CG1-CD1 3.48Å; V974-L1024 VanDerWaalsContact CG1-CD1 3.48Å; V974-L1024 HydrophobicContact CG1-CG 4.33Å; V974-L1024 HydrophobicContact CG2-CB 4.28Å; V974-I1026 HydrophobicContact CB-CD1 4.48Å; V974-I1026 HydrophobicContact CG1-CD1 3.81Å; V974-I1026 HydrophobicContact CG2-CD1 3.82Å; V974-I1026 HydrophobicContact CG2-CG1 3.64Å; V974-P1033 HydrophobicContact CG1-CB 4.19Å; V974-P1033 HydrophobicContact CG1-CG 4.09Å |
| 975 | R | 90.5 | Very high | 91 | Very high | 91 Ų | 91 | 40 Ų | 40 | 34% | 0.343 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 122.5 | 168.3 | -173.9 | -177.5 | -173.4 | 154.8 | 12.6 | 108.7 | E734 Q977 K982 | E734-R975 IonicContact OE1-NH2 3.22Å; E734-R975 IonicContact OE2-CZ 3.48Å; E734-R975 IonicContact OE2-NH1 3.67Å; E734-R975 PolarHBondContact OE2-NH1 2.93Å; E734-R975 IonicContact OE2-NH2 2.84Å; E734-R975 PolarHBondContact OE2-NH2 2.91Å; R975-Q977 PolarHBondContact O-N 3.33Å; R975-Q977 VanDerWaalsContact O-N 3.07Å; R975-K982 HydrophobicContact CB-CG 4.19Å; R975-K982 HydrophobicContact CG-CG 4.26Å |
| 976 | N | 88.2 | Confident | 91 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | trans | -75.3 | 94.3 | 166.4 | -173.3 | -35.3 | 0 | 0 | 0 | 108.3 | F978 K979 G980 M981 Y983 I1026 | N976-F978 PolarHBondContact O-N 3.3Å; N976-F978 VanDerWaalsContact O-N 3.16Å; N976-F978 PolarHBondContact OD1-N 2.84Å; N976-K979 HydrophobicContact CB-CB 4.42Å; N976-K979 PolarHBondContact O-N 2.7Å; N976-K979 PolarHBondContact OD1-N 3.01Å; N976-G980 WeakPolarHBondContact O-CA 3.22Å; N976-G980 PolarHBondContact O-N 3.37Å; N976-M981 PolarHBondContact N-O 2.74Å; N976-Y983 HydrophobicContact CB-CD2 4.47Å; N976-Y983 HydrophobicContact CB-CE2 4.12Å; N976-I1026 HydrophobicContact CB-CD1 3.94Å; N976-I1026 HydrophobicContact CB-CG2 4.29Å | ||
| 977 | Q | 82.9 | Confident | 91.1 | Very high | 109 Ų | 109 | 32.7 Ų | 32.7 | 51% | 0.509 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -29.5 | -176.4 | 67.1 | -158.5 | 63.5 | 0 | 0 | 113.5 | R975 | R975-Q977 PolarHBondContact O-N 3.33Å; R975-Q977 VanDerWaalsContact O-N 3.07Å |
| 978 | F | 82.7 | Confident | 91.2 | Very high | 90 Ų | 90 | 32.1 Ų | 32.1 | 40% | 0.395 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -23.1 | 179.2 | -46.7 | -73.2 | 0 | 0 | 0 | 113.6 | N976 I1026 P1028 T1084 | N976-F978 PolarHBondContact O-N 3.3Å; N976-F978 VanDerWaalsContact O-N 3.16Å; N976-F978 PolarHBondContact OD1-N 2.84Å; F978-I1026 HydrophobicContact CD2-CG2 3.66Å; F978-I1026 HydrophobicContact CE2-CG2 3.7Å; F978-P1028 HydrophobicContact CD1-CB 4.38Å; F978-P1028 HydrophobicContact CD1-CG 4.4Å; F978-P1028 HydrophobicContact CD2-CB 4.05Å; F978-P1028 HydrophobicContact CD2-CG 3.97Å; F978-P1028 HydrophobicContact CE1-CG 4.18Å; F978-P1028 HydrophobicContact CE2-CB 4.33Å; F978-P1028 HydrophobicContact CE2-CG 3.73Å; F978-P1028 HydrophobicContact CG-CB 4.1Å; F978-P1028 HydrophobicContact CG-CG 4.32Å; F978-P1028 HydrophobicContact CZ-CG 3.88Å; F978-T1084 HydrophobicContact CE1-CG2 3.91Å; F978-T1084 HydrophobicContact CE2-CG2 4.33Å; F978-T1084 HydrophobicContact CZ-CG2 3.44Å; F978-T1084 VanDerWaalsContact CZ-CG2 3.44Å |
| 979 | K | 82.6 | Confident | 90.9 | Very high | 91 Ų | 91 | 37.9 Ų | 37.9 | 40% | 0.396 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -122.6 | -5 | -174.2 | -65.2 | 177.8 | -178.9 | 167.2 | 0 | 113.9 | N976 M981 P1028 Q1030 | N976-K979 HydrophobicContact CB-CB 4.42Å; N976-K979 PolarHBondContact O-N 2.7Å; N976-K979 PolarHBondContact OD1-N 3.01Å; K979-M981 HydrophobicContact CB-CG 4.36Å; K979-M981 PolarHBondContact O-N 3.49Å; K979-P1028 PolarHBondContact NZ-O 3.16Å; K979-Q1030 PolarHBondContact NZ-O 2.87Å |
| 980 | G | 81.7 | Confident | 90.9 | Very high | 37 Ų | 37 | 40.7 Ų | 40.7 | 38% | 0.381 | 20% | 0.2 | S | C | . | . | trans | 74.5 | -20.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | N976 | N976-G980 WeakPolarHBondContact O-CA 3.22Å; N976-G980 PolarHBondContact O-N 3.37Å | ||
| 981 | M | 87.4 | Confident | 90.9 | Very high | 63 Ų | 63 | 41.4 Ų | 41.4 | 31% | 0.31 | 21% | 0.206 | S | C | . | . | trans | -64 | 144.6 | -176.6 | -52.5 | -52.5 | -76.6 | 0 | 0 | 112.6 | N976 K979 Y983 E996 | N976-M981 PolarHBondContact N-O 2.74Å; K979-M981 HydrophobicContact CB-CG 4.36Å; K979-M981 PolarHBondContact O-N 3.49Å; M981-Y983 HydrophobicContact CB-CE2 3.82Å; M981-E996 HydrophobicContact CE-CG 3.8Å; M981-E996 WeakPolarHBondContact CE-OE1 3.39Å | ||
| 982 | K | 93.3 | Very high | 90.9 | Very high | 43 Ų | 43 | 41.4 Ų | 41.4 | 19% | 0.187 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 134.5 | 167.9 | -71.9 | -157.7 | 176.7 | -166 | 0 | 110.8 | F919 V973 V974 R975 W997 F1004 | F919-K982 HydrophobicContact CD1-CD 4.12Å; F919-K982 HydrophobicContact CD2-CD 3.99Å; F919-K982 HydrophobicContact CE1-CD 4.01Å; F919-K982 HydrophobicContact CE1-CG 4.44Å; F919-K982 HydrophobicContact CE2-CD 3.89Å; F919-K982 HydrophobicContact CG-CD 4.12Å; F919-K982 HydrophobicContact CZ-CD 3.89Å; F919-K982 HydrophobicContact CZ-CG 4.44Å; V973-K982 HydrophobicContact CG1-CD 4.48Å; V974-K982 WeakPolarHBondContact O-CA 3.46Å; R975-K982 HydrophobicContact CB-CG 4.19Å; R975-K982 HydrophobicContact CG-CG 4.26Å; K982-W997 HydrophobicContact CB-CB 4.17Å; K982-W997 PolarHBondContact O-N 3.02Å; K982-F1004 HydrophobicContact CB-CE1 4.39Å |
| 983 | Y | 95.3 | Very high | 91 | Very high | 8 Ų | 8 | 40.7 Ų | 40.7 | 3% | 0.031 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 130.3 | 178.8 | -64.9 | -72 | 0 | 0 | 0 | 110.3 | V973 V974 N976 M981 M995 E996 T1031 L1032 P1033 | V973-Y983 VanDerWaalsContact CA-O 3.29Å; V973-Y983 WeakPolarHBondContact CA-O 3.21Å; V973-Y983 WeakPolarHBondContact CG1-O 3.19Å; V974-Y983 PolarHBondContact N-O 2.9Å; V974-Y983 PolarHBondContact O-N 2.93Å; N976-Y983 HydrophobicContact CB-CD2 4.47Å; N976-Y983 HydrophobicContact CB-CE2 4.12Å; M981-Y983 HydrophobicContact CB-CE2 3.82Å; Y983-M995 CarbonylContact C-O 3.52Å; Y983-M995 VanDerWaalsContact CA-O 3.31Å; Y983-M995 WeakPolarHBondContact CA-O 3.33Å; Y983-E996 HydrophobicContact CD1-CB 4Å; Y983-E996 HydrophobicContact CD1-CG 4.16Å; Y983-E996 HydrophobicContact CE1-CB 3.8Å; Y983-E996 HydrophobicContact CE1-CG 3.63Å; Y983-E996 WeakPolarHBondContact CE1-OE2 3.49Å; Y983-E996 PolarHBondContact OH-OE2 3.35Å; Y983-T1031 WeakPolarHBondContact CE2-O 3.31Å; Y983-L1032 HydrophobicContact CD1-CD2 4.05Å; Y983-L1032 HydrophobicContact CE1-CD2 3.61Å; Y983-P1033 HydrophobicContact CG-CG 4.5Å |
| 984 | L | 96.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 120.8 | 168.7 | -178 | 160.9 | 0 | 0 | 0 | 107.8 | W915 M924 L933 T972 V973 M995 F1004 | W915-L984 HydrophobicContact CH2-CD1 3.87Å; W915-L984 HydrophobicContact CH2-CG 4.33Å; W915-L984 HydrophobicContact CZ3-CD1 4.3Å; M924-L984 HydrophobicContact CB-CD1 3.94Å; M924-L984 HydrophobicContact CE-CD1 4.11Å; M924-L984 HydrophobicContact CG-CD1 3.75Å; L933-L984 HydrophobicContact CD1-CD2 4.11Å; T972-L984 WeakPolarHBondContact O-CA 3.11Å; V973-L984 HydrophobicContact CG2-CB 3.85Å; V973-L984 HydrophobicContact CG2-CD1 3.99Å; V973-L984 HydrophobicContact CG2-CG 3.8Å; L984-M995 HydrophobicContact CB-CB 4.35Å; L984-M995 HydrophobicContact CD2-CG 4.39Å; L984-M995 HydrophobicContact CD2-SD 4.17Å; L984-M995 PolarHBondContact N-O 3.27Å; L984-M995 PolarHBondContact O-N 2.97Å; L984-F1004 HydrophobicContact CB-CD1 3.63Å; L984-F1004 HydrophobicContact CB-CE1 3.7Å; L984-F1004 HydrophobicContact CB-CG 4.08Å; L984-F1004 HydrophobicContact CB-CZ 4.19Å; L984-F1004 HydrophobicContact CD1-CD2 4.11Å; L984-F1004 HydrophobicContact CD1-CE2 4.29Å; L984-F1004 HydrophobicContact CD1-CG 4.28Å |
| 985 | C | 97.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 150.8 | 171.8 | -58.9 | 0 | 0 | 0 | 0 | 109.9 | A971 T972 I992 L993 F1022 L1024 | A971-C985 CarbonylContact C-O 3.58Å; A971-C985 VanDerWaalsContact CA-O 3.24Å; A971-C985 WeakPolarHBondContact CA-O 3.4Å; T972-C985 HydrophobicContact CG2-CB 4.47Å; T972-C985 PolarHBondContact N-O 2.86Å; T972-C985 PolarHBondContact O-N 2.84Å; C985-I992 HydrophobicContact CB-CG2 4.35Å; C985-L993 VanDerWaalsContact CA-O 3.24Å; C985-L993 WeakPolarHBondContact CA-O 3.31Å; C985-F1022 HydrophobicContact CB-CE1 4.22Å; C985-F1022 HydrophobicContact CB-CZ 4.31Å; C985-L1024 HydrophobicContact CB-CD1 4Å; C985-L1024 HydrophobicContact CB-CD2 3.96Å |
| 986 | G | 95.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 140.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | I970 L993 | I970-G986 CarbonylContact O-C 3.58Å; I970-G986 WeakPolarHBondContact O-CA 3.45Å; G986-L993 PolarHBondContact N-O 3.35Å; G986-L993 PolarHBondContact O-N 2.9Å |
| 987 | A | 95.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 130 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | C968 Y969 I970 S991 M1015 L1019 F1022 | C968-A987 WeakPolarHBondContact CA-O 3.47Å; Y969-A987 WeakPolarHBondContact CD1-O 3.49Å; Y969-A987 HydrophobicContact CE1-CB 4.11Å; Y969-A987 HydrophobicContact CE2-CB 4.29Å; Y969-A987 PolarHBondContact N-O 3.44Å; I970-A987 HydrophobicContact CG2-CB 3.48Å; I970-A987 VanDerWaalsContact CG2-CB 3.48Å; I970-A987 PolarHBondContact O-N 2.88Å; A987-S991 WeakPolarHBondContact CA-O 3.36Å; A987-M1015 HydrophobicContact CB-CE 4.04Å; A987-L1019 HydrophobicContact CB-CD2 3.92Å; A987-F1022 HydrophobicContact CB-CD2 4.48Å; A987-F1022 HydrophobicContact CB-CE2 3.9Å; A987-F1022 HydrophobicContact CB-CZ 4.06Å |
| 988 | I | 92.8 | Very high | 92.2 | Very high | 12 Ų | 12 | 35.7 Ų | 35.7 | 6% | 0.062 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 106.9 | 179.6 | -59.3 | 157.8 | 0 | 0 | 0 | 106.6 | T965 C968 K990 S991 L993 | T965-I988 HydrophobicContact CG2-CD1 4Å; C968-I988 HydrophobicContact CB-CD1 4.36Å; C968-I988 HydrophobicContact CB-CG1 3.67Å; I988-K990 PolarHBondContact O-N 2.9Å; I988-S991 PolarHBondContact N-O 2.86Å; I988-S991 PolarHBondContact O-N 3.01Å; I988-S991 PolarHBondContact O-OG 3.17Å; I988-L993 HydrophobicContact CD1-CB 3.83Å; I988-L993 HydrophobicContact CD1-CD2 4.17Å |
| 989 | D | 88.8 | Confident | 92.3 | Very high | 121 Ų | 121 | 34.7 Ų | 34.7 | 65% | 0.647 | 17% | 0.173 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 48.8 | -123.2 | -174.5 | -173.1 | 67.9 | 0 | 0 | 0 | 110.8 | S991 | D989-S991 VanDerWaalsContact C-N 3.3Å; D989-S991 PolarHBondContact O-N 2.9Å |
| 990 | K | 89.7 | Confident | 92.3 | Very high | 115 Ų | 115 | 35 Ų | 35 | 50% | 0.5 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | 31.5 | 176.6 | -64.9 | -175.1 | 170.9 | -147.4 | 0 | 113.9 | I988 V1012 P1013 | I988-K990 PolarHBondContact O-N 2.9Å; K990-V1012 PolarHBondContact O-N 3.37Å; K990-P1013 WeakPolarHBondContact CD-O 3.45Å; K990-P1013 WeakPolarHBondContact CE-O 3.38Å; K990-P1013 PolarHBondContact NZ-O 3.45Å |
| 991 | S | 92.4 | Very high | 92.2 | Very high | 17 Ų | 17 | 41.5 Ų | 41.5 | 12% | 0.119 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 150.6 | -179.8 | 71.1 | 0 | 0 | 0 | 0 | 113.8 | A987 I988 D989 V1010 | A987-S991 WeakPolarHBondContact CA-O 3.36Å; I988-S991 PolarHBondContact N-O 2.86Å; I988-S991 PolarHBondContact O-N 3.01Å; I988-S991 PolarHBondContact O-OG 3.17Å; D989-S991 VanDerWaalsContact C-N 3.3Å; D989-S991 PolarHBondContact O-N 2.9Å; S991-V1010 CarbonylContact C-O 3.58Å; S991-V1010 VanDerWaalsContact CA-O 3.27Å; S991-V1010 WeakPolarHBondContact CA-O 3.43Å |
| 992 | I | 94.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 116 | 169 | -59 | 178.6 | 0 | 0 | 0 | 108 | C985 V994 R1009 V1010 V1012 M1015 F1022 V1035 L1037 V1053 L1055 | C985-I992 HydrophobicContact CB-CG2 4.35Å; I992-V994 HydrophobicContact CG2-CG2 4.35Å; I992-R1009 CarbonylContact O-C 3.59Å; I992-R1009 WeakPolarHBondContact O-CA 3.32Å; I992-V1010 PolarHBondContact N-O 3.28Å; I992-V1010 PolarHBondContact O-N 2.91Å; I992-V1012 HydrophobicContact CD1-CG2 3.92Å; I992-V1012 HydrophobicContact CG1-CG2 4.01Å; I992-M1015 HydrophobicContact CG1-CE 4.05Å; I992-F1022 HydrophobicContact CD1-CE2 4.13Å; I992-F1022 HydrophobicContact CG1-CE2 4.16Å; I992-F1022 HydrophobicContact CG1-CZ 4.48Å; I992-F1022 HydrophobicContact CG2-CZ 4.15Å; I992-V1035 HydrophobicContact CD1-CB 4.18Å; I992-V1035 HydrophobicContact CD1-CG1 4.33Å; I992-V1035 HydrophobicContact CD1-CG2 3.99Å; I992-V1035 HydrophobicContact CG2-CG2 4.45Å; I992-L1037 HydrophobicContact CD1-CD2 4.21Å; I992-V1053 HydrophobicContact CD1-CB 4.35Å; I992-V1053 HydrophobicContact CD1-CG1 4.22Å; I992-L1055 HydrophobicContact CB-CD2 4.35Å; I992-L1055 HydrophobicContact CD1-CD2 4.42Å; I992-L1055 HydrophobicContact CG2-CD2 3.99Å |
| 993 | L | 96 | Very high | 92 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 137 | 165.2 | 170.8 | 70.4 | 0 | 0 | 0 | 109.5 | L933 T965 C985 G986 I988 M995 E1006 | L933-L993 HydrophobicContact CD1-CD2 3.74Å; T965-L993 HydrophobicContact CG2-CD2 3.54Å; C985-L993 VanDerWaalsContact CA-O 3.24Å; C985-L993 WeakPolarHBondContact CA-O 3.31Å; G986-L993 PolarHBondContact N-O 3.35Å; G986-L993 PolarHBondContact O-N 2.9Å; I988-L993 HydrophobicContact CD1-CB 3.83Å; I988-L993 HydrophobicContact CD1-CD2 4.17Å; L993-M995 HydrophobicContact CD1-CG 4.07Å; L993-M995 HydrophobicContact CD2-CG 3.86Å; L993-M995 HydrophobicContact CD2-SD 3.82Å; L993-M995 HydrophobicContact CG-CG 3.81Å; L993-M995 HydrophobicContact CG-SD 4.45Å; L993-E1006 HydrophobicContact CD1-CB 4.13Å; L993-E1006 HydrophobicContact CD1-CG 3.48Å; L993-E1006 VanDerWaalsContact CD1-CG 3.48Å; L993-E1006 WeakPolarHBondContact CD1-OE1 3.48Å |
| 994 | V | 96.1 | Very high | 92 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 119.4 | 174.3 | -166.6 | 0 | 0 | 0 | 0 | 109.2 | I992 V1007 K1008 L1032 L1055 | I992-V994 HydrophobicContact CG2-CG2 4.35Å; V994-V1007 PolarHBondContact O-N 3.13Å; V994-K1008 WeakPolarHBondContact CA-O 3.45Å; V994-K1008 HydrophobicContact CB-CB 4.32Å; V994-K1008 WeakPolarHBondContact CB-O 3.47Å; V994-K1008 HydrophobicContact CG2-CB 4.45Å; V994-K1008 PolarHBondContact N-O 2.97Å; V994-K1008 PolarHBondContact O-N 3.12Å; V994-L1032 HydrophobicContact CG1-CD1 4.4Å; V994-L1032 HydrophobicContact CG1-CD2 4.13Å; V994-L1055 HydrophobicContact CG1-CD1 4.27Å; V994-L1055 HydrophobicContact CG2-CB 4.47Å; V994-L1055 HydrophobicContact CG2-CD1 3.69Å; V994-L1055 HydrophobicContact CG2-CD2 3.99Å; V994-L1055 HydrophobicContact CG2-CG 4.27Å |
| 995 | M | 97 | Very high | 91.8 | Very high | 5 Ų | 5 | 43.9 Ų | 43.9 | 3% | 0.025 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 142.7 | 176.4 | -47.6 | -173.7 | 78.2 | 0 | 0 | 111.4 | V962 Y983 L984 L993 F1004 I1005 E1006 | V962-M995 HydrophobicContact CG1-CE 3.97Å; Y983-M995 CarbonylContact C-O 3.52Å; Y983-M995 VanDerWaalsContact CA-O 3.31Å; Y983-M995 WeakPolarHBondContact CA-O 3.33Å; L984-M995 HydrophobicContact CB-CB 4.35Å; L984-M995 HydrophobicContact CD2-CG 4.39Å; L984-M995 HydrophobicContact CD2-SD 4.17Å; L984-M995 PolarHBondContact N-O 3.27Å; L984-M995 PolarHBondContact O-N 2.97Å; L993-M995 HydrophobicContact CD1-CG 4.07Å; L993-M995 HydrophobicContact CD2-CG 3.86Å; L993-M995 HydrophobicContact CD2-SD 3.82Å; L993-M995 HydrophobicContact CG-CG 3.81Å; L993-M995 HydrophobicContact CG-SD 4.45Å; M995-F1004 HydrophobicContact CB-CB 3.96Å; M995-F1004 HydrophobicContact CB-CD1 4.43Å; M995-F1004 HydrophobicContact CE-CB 4.17Å; M995-F1004 HydrophobicContact SD-CB 4.31Å; M995-I1005 CarbonylContact C-O 3.53Å; M995-I1005 WeakPolarHBondContact CA-O 3.48Å; M995-I1005 VanDerWaalsContact CB-O 3.28Å; M995-I1005 WeakPolarHBondContact CB-O 3.49Å; M995-E1006 HydrophobicContact CE-CB 4.5Å |
| 996 | E | 95 | Very high | 91.7 | Very high | 44 Ų | 44 | 48 Ų | 48 | 21% | 0.206 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 143.9 | 176.2 | -175.5 | 178.7 | 98 | 0 | 0 | 110.5 | M981 Y983 Y998 F1004 I1005 V1007 | M981-E996 HydrophobicContact CE-CG 3.8Å; M981-E996 WeakPolarHBondContact CE-OE1 3.39Å; Y983-E996 HydrophobicContact CD1-CB 4Å; Y983-E996 HydrophobicContact CD1-CG 4.16Å; Y983-E996 HydrophobicContact CE1-CB 3.8Å; Y983-E996 HydrophobicContact CE1-CG 3.63Å; Y983-E996 WeakPolarHBondContact CE1-OE2 3.49Å; Y983-E996 PolarHBondContact OH-OE2 3.35Å; E996-Y998 PolarHBondContact O-N 3.21Å; E996-F1004 CarbonylContact O-C 3.55Å; E996-F1004 VanDerWaalsContact O-CA 3.3Å; E996-F1004 WeakPolarHBondContact O-CA 3.44Å; E996-I1005 PolarHBondContact N-O 2.8Å; E996-I1005 PolarHBondContact O-N 3.42Å; E996-V1007 HydrophobicContact CB-CG2 3.51Å |
| 997 | W | 94.7 | Very high | 91.6 | Very high | 12 Ų | 12 | 51.5 Ų | 51.5 | 5% | 0.045 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 114.9 | 174.1 | 176.7 | -93.6 | 0 | 0 | 0 | 112.1 | F919 K920 T922 K982 N999 N1002 F1004 | F919-W997 HydrophobicContact CB-CZ3 4.42Å; F919-W997 AromaticContact CD1-CD2 3.53Å; F919-W997 HydrophobicContact CD1-CD2 3.53Å; F919-W997 AromaticContact CD1-CE2 3.64Å; F919-W997 AromaticContact CD1-CE3 3.74Å; F919-W997 HydrophobicContact CD1-CE3 3.74Å; F919-W997 AromaticContact CD1-CG 3.98Å; F919-W997 HydrophobicContact CD1-CG 3.98Å; F919-W997 HydrophobicContact CD1-CH2 4.05Å; F919-W997 AromaticContact CD1-CZ2 3.91Å; F919-W997 HydrophobicContact CD1-CZ2 3.91Å; F919-W997 AromaticContact CD1-CZ3 3.98Å; F919-W997 HydrophobicContact CD1-CZ3 3.98Å; F919-W997 AromaticContact CE1-CD1 3.82Å; F919-W997 AromaticContact CE1-CD2 3.82Å; F919-W997 HydrophobicContact CE1-CD2 3.82Å; F919-W997 AromaticContact CE1-CE2 3.71Å; F919-W997 HydrophobicContact CE1-CE3 4.47Å; F919-W997 AromaticContact CE1-CG 3.86Å; F919-W997 HydrophobicContact CE1-CG 3.86Å; F919-W997 HydrophobicContact CE1-CZ2 4.24Å; F919-W997 AromaticContact CE1-NE1 3.74Å; F919-W997 WeakPolarHBondContact O-CH2 3.48Å; K920-W997 HydrophobicContact CD-CZ2 4.08Å; K920-W997 HydrophobicContact CG-CZ2 4.26Å; T922-W997 HydrophobicContact CG2-CZ3 4.25Å; K982-W997 HydrophobicContact CB-CB 4.17Å; K982-W997 PolarHBondContact O-N 3.02Å; W997-N999 PolarHBondContact NE1-OD1 2.84Å; W997-N1002 HydrophobicContact CH2-CB 4.12Å; W997-N1002 WeakPolarHBondContact CH2-O 3.32Å; W997-N1002 VanDerWaalsContact CZ2-CA 3.49Å; W997-N1002 HydrophobicContact CZ2-CB 3.93Å; W997-F1004 HydrophobicContact CB-CD1 4.12Å; W997-F1004 HydrophobicContact CB-CE1 3.86Å; W997-F1004 HydrophobicContact CB-CZ 4.34Å; W997-F1004 AromaticContact CE3-CD2 3.77Å; W997-F1004 HydrophobicContact CE3-CD2 3.77Å; W997-F1004 HydrophobicContact CE3-CE1 4.46Å; W997-F1004 AromaticContact CE3-CE2 3.66Å; W997-F1004 HydrophobicContact CE3-CE2 3.66Å; W997-F1004 HydrophobicContact CE3-CG 4.24Å; W997-F1004 HydrophobicContact CE3-CZ 4.02Å; W997-F1004 HydrophobicContact CZ3-CD2 4.21Å; W997-F1004 HydrophobicContact CZ3-CE2 4.11Å |
| 998 | Y | 91.1 | Very high | 91.4 | Very high | 91 Ų | 91 | 53.7 Ų | 53.7 | 36% | 0.357 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 96.3 | -179 | -171.9 | -110.4 | 0 | 0 | 0 | 111.5 | E996 P1000 R1001 N1002 T1003 I1005 | E996-Y998 PolarHBondContact O-N 3.21Å; Y998-P1000 VanDerWaalsContact C-CD 3.48Å; Y998-P1000 HydrophobicContact CD1-CB 4.28Å; Y998-P1000 HydrophobicContact CD1-CG 4.41Å; Y998-P1000 HydrophobicContact CE1-CB 3.7Å; Y998-P1000 HydrophobicContact CE1-CG 3.91Å; Y998-P1000 HydrophobicContact CE2-CG 4.18Å; Y998-R1001 HydrophobicContact CD1-CB 3.95Å; Y998-R1001 HydrophobicContact CD1-CG 3.73Å; Y998-R1001 HydrophobicContact CE1-CG 3.87Å; Y998-R1001 PolarHBondContact O-N 3.29Å; Y998-N1002 PolarHBondContact O-N 2.94Å; Y998-N1002 VanDerWaalsContact O-N 3.16Å; Y998-T1003 PolarHBondContact N-O 3.18Å; Y998-I1005 HydrophobicContact CD2-CD1 3.95Å; Y998-I1005 HydrophobicContact CG-CD1 3.89Å |
| 999 | N | 85.5 | Confident | 91.4 | Very high | 69 Ų | 69 | 57.3 Ų | 57.3 | 37% | 0.369 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -43.2 | -48.6 | -179.4 | -98.3 | -6 | 0 | 0 | 0 | 114.1 | K920 W997 R1001 N1002 | K920-N999 PolarHBondContact NZ-OD1 2.82Å; K920-N999 VanDerWaalsContact NZ-OD1 3.11Å; W997-N999 PolarHBondContact NE1-OD1 2.84Å; N999-R1001 PolarHBondContact O-N 3.3Å; N999-N1002 PolarHBondContact O-N 3.48Å; N999-N1002 PolarHBondContact O-OD1 2.75Å |
| 1000 | P | 82.6 | Confident | 91.5 | Very high | 99 Ų | 99 | 52.1 Ų | 52.1 | 64% | 0.643 | 25% | 0.25 | S | S | * | . | G | 310 helix | trans | -65.7 | -5.3 | -177.4 | -21.9 | 33.8 | 0 | 0 | 0 | 116 | Y998 | Y998-P1000 VanDerWaalsContact C-CD 3.48Å; Y998-P1000 HydrophobicContact CD1-CB 4.28Å; Y998-P1000 HydrophobicContact CD1-CG 4.41Å; Y998-P1000 HydrophobicContact CE1-CB 3.7Å; Y998-P1000 HydrophobicContact CE1-CG 3.91Å; Y998-P1000 HydrophobicContact CE2-CG 4.18Å |
| 1001 | R | 78.7 | Confident | 91.6 | Very high | 173 Ų | 173 | 52 Ų | 52 | 65% | 0.653 | 25% | 0.251 | S | S | * | . | G | 310 helix | trans | -123.5 | 1.1 | 170.5 | -63.8 | 176.6 | -176.1 | -178.1 | 3.4 | 113.2 | Y998 N999 T1003 | Y998-R1001 HydrophobicContact CD1-CB 3.95Å; Y998-R1001 HydrophobicContact CD1-CG 3.73Å; Y998-R1001 HydrophobicContact CE1-CG 3.87Å; Y998-R1001 PolarHBondContact O-N 3.29Å; N999-R1001 PolarHBondContact O-N 3.3Å; R1001-T1003 HydrophobicContact CB-CG2 3.84Å; R1001-T1003 PolarHBondContact O-N 3.27Å |
| 1002 | N | 87.3 | Confident | 91.4 | Very high | 74 Ų | 74 | 51.5 Ų | 51.5 | 40% | 0.396 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 41.4 | 47.3 | -171.4 | -74.3 | -44.1 | 0 | 0 | 0 | 113.1 | T922 W997 Y998 N999 | T922-N1002 WeakPolarHBondContact CB-O 3.36Å; T922-N1002 PolarHBondContact OG1-O 3.23Å; W997-N1002 HydrophobicContact CH2-CB 4.12Å; W997-N1002 WeakPolarHBondContact CH2-O 3.32Å; W997-N1002 VanDerWaalsContact CZ2-CA 3.49Å; W997-N1002 HydrophobicContact CZ2-CB 3.93Å; Y998-N1002 PolarHBondContact O-N 2.94Å; Y998-N1002 VanDerWaalsContact O-N 3.16Å; N999-N1002 PolarHBondContact O-N 3.48Å; N999-N1002 PolarHBondContact O-OD1 2.75Å |
| 1003 | T | 90.6 | Very high | 90.8 | Very high | 31 Ų | 31 | 53.4 Ų | 53.4 | 19% | 0.19 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 159.5 | 177.2 | -171.8 | 0 | 0 | 0 | 0 | 110.7 | S935 Y998 R1001 I1005 | S935-T1003 PolarHBondContact OG-OG1 3.5Å; Y998-T1003 PolarHBondContact N-O 3.18Å; R1001-T1003 HydrophobicContact CB-CG2 3.84Å; R1001-T1003 PolarHBondContact O-N 3.27Å; T1003-I1005 HydrophobicContact CG2-CG2 4.47Å |
| 1004 | F | 94.1 | Very high | 90 | Very high | 7 Ų | 7 | 56.8 Ų | 56.8 | 3% | 0.031 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 141.7 | 165.8 | -68.3 | -85.9 | 0 | 0 | 0 | 111.1 | F917 M924 V973 K982 L984 M995 E996 W997 | F917-F1004 HydrophobicContact CE1-CE2 4.34Å; F917-F1004 HydrophobicContact CE1-CZ 4.22Å; M924-F1004 HydrophobicContact CE-CB 4.49Å; M924-F1004 HydrophobicContact CG-CD2 3.57Å; M924-F1004 HydrophobicContact CG-CE2 3.9Å; M924-F1004 HydrophobicContact SD-CD2 3.9Å; V973-F1004 HydrophobicContact CG1-CE1 4.49Å; V973-F1004 HydrophobicContact CG1-CZ 4.1Å; K982-F1004 HydrophobicContact CB-CE1 4.39Å; L984-F1004 HydrophobicContact CB-CD1 3.63Å; L984-F1004 HydrophobicContact CB-CE1 3.7Å; L984-F1004 HydrophobicContact CB-CG 4.08Å; L984-F1004 HydrophobicContact CB-CZ 4.19Å; L984-F1004 HydrophobicContact CD1-CD2 4.11Å; L984-F1004 HydrophobicContact CD1-CE2 4.29Å; L984-F1004 HydrophobicContact CD1-CG 4.28Å; M995-F1004 HydrophobicContact CB-CB 3.96Å; M995-F1004 HydrophobicContact CB-CD1 4.43Å; M995-F1004 HydrophobicContact CE-CB 4.17Å; M995-F1004 HydrophobicContact SD-CB 4.31Å; E996-F1004 CarbonylContact O-C 3.55Å; E996-F1004 VanDerWaalsContact O-CA 3.3Å; E996-F1004 WeakPolarHBondContact O-CA 3.44Å; W997-F1004 HydrophobicContact CB-CD1 4.12Å; W997-F1004 HydrophobicContact CB-CE1 3.86Å; W997-F1004 HydrophobicContact CB-CZ 4.34Å; W997-F1004 AromaticContact CE3-CD2 3.77Å; W997-F1004 HydrophobicContact CE3-CD2 3.77Å; W997-F1004 HydrophobicContact CE3-CE1 4.46Å; W997-F1004 AromaticContact CE3-CE2 3.66Å; W997-F1004 HydrophobicContact CE3-CE2 3.66Å; W997-F1004 HydrophobicContact CE3-CG 4.24Å; W997-F1004 HydrophobicContact CE3-CZ 4.02Å; W997-F1004 HydrophobicContact CZ3-CD2 4.21Å; W997-F1004 HydrophobicContact CZ3-CE2 4.11Å |
| 1005 | I | 93.5 | Very high | 89.5 | Confident | 52 Ų | 52 | 57.9 Ų | 57.9 | 27% | 0.267 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 142.1 | 172.9 | 63.1 | 174.2 | 0 | 0 | 0 | 109.9 | M995 E996 Y998 T1003 V1007 | M995-I1005 CarbonylContact C-O 3.53Å; M995-I1005 WeakPolarHBondContact CA-O 3.48Å; M995-I1005 VanDerWaalsContact CB-O 3.28Å; M995-I1005 WeakPolarHBondContact CB-O 3.49Å; E996-I1005 PolarHBondContact N-O 2.8Å; E996-I1005 PolarHBondContact O-N 3.42Å; Y998-I1005 HydrophobicContact CD2-CD1 3.95Å; Y998-I1005 HydrophobicContact CG-CD1 3.89Å; T1003-I1005 HydrophobicContact CG2-CG2 4.47Å; I1005-V1007 PolarHBondContact O-N 2.68Å |
| 1006 | E | 94.7 | Very high | 88.8 | Confident | 87 Ų | 87 | 57.9 Ų | 57.9 | 41% | 0.407 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 129.8 | 174.8 | -179.1 | 161.7 | -168.2 | 0 | 0 | 110 | L993 M995 R1009 | L993-E1006 HydrophobicContact CD1-CB 4.13Å; L993-E1006 HydrophobicContact CD1-CG 3.48Å; L993-E1006 VanDerWaalsContact CD1-CG 3.48Å; L993-E1006 WeakPolarHBondContact CD1-OE1 3.48Å; M995-E1006 HydrophobicContact CE-CB 4.5Å; E1006-R1009 IonicContact OE1-CZ 3.41Å; E1006-R1009 IonicContact OE1-NE 3.63Å; E1006-R1009 PolarHBondContact OE1-NE 3.21Å; E1006-R1009 VanDerWaalsContact OE1-NE 3.09Å; E1006-R1009 IonicContact OE1-NH2 2.89Å; E1006-R1009 PolarHBondContact OE1-NH2 3.45Å; E1006-R1009 IonicContact OE2-NH2 3.16Å; E1006-R1009 PolarHBondContact OE2-NH2 3.43Å |
| 1007 | V | 92.3 | Very high | 88.1 | Confident | 73 Ų | 73 | 62.8 Ų | 62.8 | 44% | 0.442 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | -41.1 | -179.7 | 172.5 | 0 | 0 | 0 | 0 | 110.9 | V994 E996 I1005 | V994-V1007 PolarHBondContact O-N 3.13Å; E996-V1007 HydrophobicContact CB-CG2 3.51Å; I1005-V1007 PolarHBondContact O-N 2.68Å |
| 1008 | K | 92.2 | Very high | 87.2 | Confident | 45 Ų | 45 | 65 Ų | 65 | 20% | 0.196 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 154.1 | -178.2 | -168.3 | 169.8 | 177.9 | -178.6 | 0 | 110.1 | V994 V1010 L1032 L1055 E1057 N1058 | V994-K1008 WeakPolarHBondContact CA-O 3.45Å; V994-K1008 HydrophobicContact CB-CB 4.32Å; V994-K1008 WeakPolarHBondContact CB-O 3.47Å; V994-K1008 HydrophobicContact CG2-CB 4.45Å; V994-K1008 PolarHBondContact N-O 2.97Å; V994-K1008 PolarHBondContact O-N 3.12Å; K1008-V1010 HydrophobicContact CD-CG2 4.17Å; K1008-V1010 HydrophobicContact CG-CG2 4.14Å; K1008-L1032 HydrophobicContact CD-CD1 4.19Å; K1008-L1055 PolarHBondContact NZ-O 3.25Å; K1008-E1057 PolarHBondContact NZ-O 2.83Å; K1008-N1058 PolarHBondContact NZ-OD1 3Å |
| 1009 | R | 92.2 | Very high | 87 | Confident | 88 Ų | 88 | 60.8 Ų | 60.8 | 33% | 0.332 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 138.3 | 163.2 | -166.7 | 171.2 | -62 | -139.1 | 6.2 | 108.2 | D964 I992 E1006 | D964-R1009 PolarHBondContact O-NH1 3.42Å; D964-R1009 PolarHBondContact O-NH2 3.27Å; D964-R1009 VanDerWaalsContact O-NH2 3.1Å; I992-R1009 CarbonylContact O-C 3.59Å; I992-R1009 WeakPolarHBondContact O-CA 3.32Å; E1006-R1009 IonicContact OE1-CZ 3.41Å; E1006-R1009 IonicContact OE1-NE 3.63Å; E1006-R1009 PolarHBondContact OE1-NE 3.21Å; E1006-R1009 VanDerWaalsContact OE1-NE 3.09Å; E1006-R1009 IonicContact OE1-NH2 2.89Å; E1006-R1009 PolarHBondContact OE1-NH2 3.45Å; E1006-R1009 IonicContact OE2-NH2 3.16Å; E1006-R1009 PolarHBondContact OE2-NH2 3.43Å |
| 1010 | V | 91.7 | Very high | 86.7 | Confident | 13 Ų | 13 | 59.6 Ų | 59.6 | 8% | 0.079 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 126.2 | -177.2 | 179.6 | 0 | 0 | 0 | 0 | 108.5 | S991 I992 K1008 V1053 L1055 | S991-V1010 CarbonylContact C-O 3.58Å; S991-V1010 VanDerWaalsContact CA-O 3.27Å; S991-V1010 WeakPolarHBondContact CA-O 3.43Å; I992-V1010 PolarHBondContact N-O 3.28Å; I992-V1010 PolarHBondContact O-N 2.91Å; K1008-V1010 HydrophobicContact CD-CG2 4.17Å; K1008-V1010 HydrophobicContact CG-CG2 4.14Å; V1010-V1053 HydrophobicContact CG1-CG1 4.18Å; V1010-L1055 HydrophobicContact CB-CD2 4.06Å; V1010-L1055 HydrophobicContact CG1-CD2 4.45Å; V1010-L1055 HydrophobicContact CG2-CD2 3.74Å |
| 1011 | E | 90.5 | Very high | 87 | Confident | 111 Ų | 111 | 54.9 Ų | 54.9 | 52% | 0.519 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 137.5 | 176.3 | -65.4 | -178.3 | 151.9 | 0 | 0 | 110.8 | N1060 | E1011-N1060 PolarHBondContact OE2-ND2 2.77Å |
| 1012 | V | 88.7 | Confident | 87.7 | Confident | 8 Ų | 8 | 46.6 Ų | 46.6 | 5% | 0.048 | 25% | 0.247 | C | C | . | . | trans | -130 | 84.6 | 175.2 | -174 | 0 | 0 | 0 | 0 | 106.9 | K990 I992 C1014 M1015 L1037 V1053 | K990-V1012 PolarHBondContact O-N 3.37Å; I992-V1012 HydrophobicContact CD1-CG2 3.92Å; I992-V1012 HydrophobicContact CG1-CG2 4.01Å; V1012-C1014 PolarHBondContact O-N 3.29Å; V1012-C1014 VanDerWaalsContact O-N 3.09Å; V1012-M1015 HydrophobicContact CB-CE 3.98Å; V1012-M1015 HydrophobicContact CB-SD 4.34Å; V1012-M1015 HydrophobicContact CG1-CB 4.44Å; V1012-M1015 HydrophobicContact CG1-SD 4.29Å; V1012-M1015 HydrophobicContact CG2-CE 4.3Å; V1012-M1015 PolarHBondContact O-N 2.95Å; V1012-L1037 HydrophobicContact CG1-CD1 3.93Å; V1012-V1053 HydrophobicContact CG2-CG1 4.24Å; V1012-V1053 HydrophobicContact CG2-CG2 4.26Å | ||
| 1013 | P | 81.7 | Confident | 88 | Confident | 39 Ų | 39 | 43.5 Ų | 43.5 | 25% | 0.253 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -25.1 | -170.8 | -29 | 39.2 | 0 | 0 | 0 | 114.3 | K990 W1063 | K990-P1013 WeakPolarHBondContact CD-O 3.45Å; K990-P1013 WeakPolarHBondContact CE-O 3.38Å; K990-P1013 PolarHBondContact NZ-O 3.45Å; P1013-W1063 HydrophobicContact CB-CZ2 4.22Å; P1013-W1063 HydrophobicContact CG-CD2 4.46Å; P1013-W1063 HydrophobicContact CG-CZ2 3.73Å |
| 1014 | C | 79.8 | Confident | 88.2 | Confident | 71 Ų | 71 | 43 Ų | 43 | 48% | 0.48 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -112 | 51.1 | 174.5 | -57.8 | 0 | 0 | 0 | 0 | 110.9 | V1012 F1070 | V1012-C1014 PolarHBondContact O-N 3.29Å; V1012-C1014 VanDerWaalsContact O-N 3.09Å; C1014-F1070 HydrophobicContact CB-CE2 4.21Å; C1014-F1070 WeakPolarHBondContact O-CE2 3.17Å; C1014-F1070 WeakPolarHBondContact O-CZ 3.37Å |
| 1015 | M | 84.6 | Confident | 88.2 | Confident | 24 Ų | 24 | 42.8 Ų | 42.8 | 12% | 0.118 | 23% | 0.226 | C | C | . | . | trans | -57.4 | 131.4 | 170.1 | -169.5 | 75.8 | 78.7 | 0 | 0 | 109.9 | A987 I992 V1012 L1019 L1037 | A987-M1015 HydrophobicContact CB-CE 4.04Å; I992-M1015 HydrophobicContact CG1-CE 4.05Å; V1012-M1015 HydrophobicContact CB-CE 3.98Å; V1012-M1015 HydrophobicContact CB-SD 4.34Å; V1012-M1015 HydrophobicContact CG1-CB 4.44Å; V1012-M1015 HydrophobicContact CG1-SD 4.29Å; V1012-M1015 HydrophobicContact CG2-CE 4.3Å; V1012-M1015 PolarHBondContact O-N 2.95Å; M1015-L1019 HydrophobicContact CG-CD2 4.49Å; M1015-L1019 HydrophobicContact SD-CD2 4.01Å; M1015-L1037 HydrophobicContact SD-CD1 4.08Å; M1015-L1037 HydrophobicContact SD-CD2 4.45Å | ||
| 1016 | P | 83.4 | Confident | 88.2 | Confident | 5 Ų | 5 | 40.4 Ų | 40.4 | 3% | 0.032 | 21% | 0.214 | C | C | . | . | trans | -57.9 | 144.9 | 173.7 | -21.2 | 29.3 | 0 | 0 | 0 | 112.1 | L1019 L1037 F1070 | P1016-L1019 HydrophobicContact CB-CD1 3.94Å; P1016-L1019 HydrophobicContact CG-CD1 3.79Å; P1016-L1037 HydrophobicContact CG-CB 4.06Å; P1016-F1070 HydrophobicContact CB-CD1 4.32Å; P1016-F1070 HydrophobicContact CB-CE1 4.43Å; P1016-F1070 HydrophobicContact CG-CD1 3.99Å; P1016-F1070 HydrophobicContact CG-CE1 3.62Å; P1016-F1070 HydrophobicContact CG-CZ 3.92Å | ||
| 1017 | N | 79.1 | Confident | 87.9 | Confident | 147 Ų | 147 | 38 Ų | 38 | 79% | 0.786 | 20% | 0.203 | S | C | * | . | S | Bend | trans | -146.2 | 108.3 | 175.7 | -179.4 | 43.4 | 0 | 0 | 0 | 109.8 | ||
| 1018 | P | 77.6 | Confident | 87.6 | Confident | 57 Ų | 57 | 36.5 Ų | 36.5 | 37% | 0.37 | 20% | 0.195 | S | C | . | . | S | Bend | cis | -65.8 | 148.4 | 0.4 | 28.9 | -36.2 | 0 | 0 | 0 | 113.1 | I384 L1020 | I384-P1018 HydrophobicContact CD1-CB 4.43Å; I384-P1018 HydrophobicContact CG2-CB 3.78Å; P1018-L1020 HydrophobicContact CB-CD2 4.19Å; P1018-L1020 HydrophobicContact CG-CD2 3.89Å; P1018-L1020 HydrophobicContact CG-CG 4.43Å; P1018-L1020 PolarHBondContact O-N 3.36Å |
| 1019 | L | 85.3 | Confident | 87.3 | Confident | 3 Ų | 3 | 42 Ų | 42 | 2% | 0.016 | 23% | 0.227 | C | C | . | . | trans | -84.5 | 90.9 | 173.5 | -178.4 | 54.2 | 0 | 0 | 0 | 109.7 | I384 Y969 I970 A987 M1015 P1016 N1021 F1022 L1037 | I384-L1019 WeakPolarHBondContact CD1-O 3.38Å; Y969-L1019 HydrophobicContact CE2-CB 4.1Å; Y969-L1019 HydrophobicContact CE2-CD2 4.01Å; Y969-L1019 WeakPolarHBondContact OH-CD2 3.39Å; I970-L1019 HydrophobicContact CG2-CD2 4.15Å; A987-L1019 HydrophobicContact CB-CD2 3.92Å; M1015-L1019 HydrophobicContact CG-CD2 4.49Å; M1015-L1019 HydrophobicContact SD-CD2 4.01Å; P1016-L1019 HydrophobicContact CB-CD1 3.94Å; P1016-L1019 HydrophobicContact CG-CD1 3.79Å; L1019-N1021 WeakPolarHBondContact CD1-O 3.48Å; L1019-F1022 HydrophobicContact CD2-CD2 3.84Å; L1019-F1022 HydrophobicContact CD2-CE2 4.44Å; L1019-F1022 HydrophobicContact CD2-CG 4.46Å; L1019-L1037 HydrophobicContact CD1-CB 4.03Å; L1019-L1037 HydrophobicContact CD1-CD2 4.12Å | ||
| 1020 | L | 79.8 | Confident | 87 | Confident | 44 Ų | 44 | 39.8 Ų | 39.8 | 23% | 0.23 | 22% | 0.22 | C | C | . | . | trans | -70.6 | -28.8 | -173 | -61.5 | -178.5 | 0 | 0 | 0 | 114.3 | I384 P1018 Q1073 | I384-L1020 HydrophobicContact CD1-CD2 3.87Å; P1018-L1020 HydrophobicContact CB-CD2 4.19Å; P1018-L1020 HydrophobicContact CG-CD2 3.89Å; P1018-L1020 HydrophobicContact CG-CG 4.43Å; P1018-L1020 PolarHBondContact O-N 3.36Å; L1020-Q1073 HydrophobicContact CD1-CG 4.44Å | ||
| 1021 | N | 88.9 | Confident | 86.8 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.24 | C | C | . | . | trans | -134.2 | 142.6 | 180 | -53.1 | 110.5 | 0 | 0 | 0 | 110.3 | L1019 C1036 L1037 V1076 | L1019-N1021 WeakPolarHBondContact CD1-O 3.48Å; N1021-C1036 CarbonylContact C-O 3.54Å; N1021-L1037 CarbonylContact O-C 3.5Å; N1021-L1037 WeakPolarHBondContact O-CA 3.48Å; N1021-V1076 PolarHBondContact ND2-O 2.81Å | ||
| 1022 | F | 93.9 | Very high | 86.8 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 22% | 0.219 | C | C | . | . | trans | -147.5 | 61.1 | 174.5 | -164.9 | -112.5 | 0 | 0 | 0 | 110 | Q382 I970 T972 C985 A987 I992 L1019 V1035 C1036 L1037 | Q382-F1022 VanDerWaalsContact NE2-C 3.31Å; Q382-F1022 PolarHBondContact NE2-O 3.15Å; I970-F1022 HydrophobicContact CD1-CB 3.53Å; I970-F1022 HydrophobicContact CD1-CD1 4.5Å; I970-F1022 HydrophobicContact CD1-CG 4.2Å; I970-F1022 HydrophobicContact CG1-CB 4.04Å; I970-F1022 HydrophobicContact CG1-CD1 4.07Å; I970-F1022 HydrophobicContact CG1-CG 4.27Å; I970-F1022 HydrophobicContact CG2-CD1 4.1Å; I970-F1022 HydrophobicContact CG2-CE1 4.38Å; I970-F1022 HydrophobicContact CG2-CG 4.19Å; T972-F1022 HydrophobicContact CG2-CD1 3.55Å; T972-F1022 HydrophobicContact CG2-CE1 3.73Å; T972-F1022 WeakPolarHBondContact CG2-O 3.35Å; C985-F1022 HydrophobicContact CB-CE1 4.22Å; C985-F1022 HydrophobicContact CB-CZ 4.31Å; A987-F1022 HydrophobicContact CB-CD2 4.48Å; A987-F1022 HydrophobicContact CB-CE2 3.9Å; A987-F1022 HydrophobicContact CB-CZ 4.06Å; I992-F1022 HydrophobicContact CD1-CE2 4.13Å; I992-F1022 HydrophobicContact CG1-CE2 4.16Å; I992-F1022 HydrophobicContact CG1-CZ 4.48Å; I992-F1022 HydrophobicContact CG2-CZ 4.15Å; L1019-F1022 HydrophobicContact CD2-CD2 3.84Å; L1019-F1022 HydrophobicContact CD2-CE2 4.44Å; L1019-F1022 HydrophobicContact CD2-CG 4.46Å; F1022-V1035 HydrophobicContact CD2-CG1 3.74Å; F1022-V1035 HydrophobicContact CE2-CG1 3.7Å; F1022-V1035 HydrophobicContact CG-CG1 4.39Å; F1022-V1035 HydrophobicContact CZ-CG1 4.3Å; F1022-C1036 WeakPolarHBondContact CA-O 3.48Å; F1022-L1037 HydrophobicContact CD2-CD2 3.63Å; F1022-L1037 HydrophobicContact CE2-CD2 3.91Å | ||
| 1023 | D | 94.4 | Very high | 87.1 | Confident | 8 Ų | 8 | 38.1 Ų | 38.1 | 4% | 0.043 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 138.6 | -171.4 | -63.4 | -48.4 | 0 | 0 | 0 | 111.4 | Q382 V1035 C1036 V1079 | Q382-D1023 PolarHBondContact NE2-OD1 3.39Å; D1023-V1035 CarbonylContact O-C 3.55Å; D1023-V1035 WeakPolarHBondContact O-CA 3.43Å; D1023-C1036 HydrophobicContact CB-CB 4.46Å; D1023-C1036 PolarHBondContact N-O 2.72Å; D1023-C1036 VanDerWaalsContact N-O 3.12Å; D1023-C1036 PolarHBondContact O-N 2.97Å; D1023-V1079 HydrophobicContact CB-CB 4.28Å; D1023-V1079 WeakPolarHBondContact CB-O 3.36Å; D1023-V1079 PolarHBondContact OD2-N 3.26Å |
| 1024 | L | 94.7 | Very high | 87.6 | Confident | 20 Ų | 20 | 36.6 Ų | 36.6 | 11% | 0.105 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 130.9 | -177.8 | -62.9 | -175.4 | 0 | 0 | 0 | 112 | T972 V974 C985 P1033 V1035 | T972-L1024 HydrophobicContact CG2-CD1 3.7Å; T972-L1024 HydrophobicContact CG2-CD2 4.18Å; T972-L1024 HydrophobicContact CG2-CG 3.58Å; V974-L1024 HydrophobicContact CB-CB 3.86Å; V974-L1024 HydrophobicContact CB-CD1 3.84Å; V974-L1024 HydrophobicContact CB-CG 4.5Å; V974-L1024 HydrophobicContact CG1-CB 3.88Å; V974-L1024 HydrophobicContact CG1-CD1 3.48Å; V974-L1024 VanDerWaalsContact CG1-CD1 3.48Å; V974-L1024 HydrophobicContact CG1-CG 4.33Å; V974-L1024 HydrophobicContact CG2-CB 4.28Å; C985-L1024 HydrophobicContact CB-CD1 4Å; C985-L1024 HydrophobicContact CB-CD2 3.96Å; L1024-P1033 HydrophobicContact CB-CB 4.21Å; L1024-P1033 HydrophobicContact CD1-CG 4.24Å; L1024-P1033 HydrophobicContact CD2-CB 4.33Å; L1024-P1033 HydrophobicContact CD2-CG 4.29Å; L1024-V1035 HydrophobicContact CD2-CB 4.19Å; L1024-V1035 HydrophobicContact CD2-CG1 4.03Å; L1024-V1035 HydrophobicContact CD2-CG2 3.65Å |
| 1025 | I | 93.9 | Very high | 88.3 | Confident | 3 Ų | 3 | 33.2 Ų | 33.2 | 2% | 0.015 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 129 | -176.6 | -59.9 | 171.5 | 0 | 0 | 0 | 109 | P1033 T1034 C1036 L1052 L1087 M1100 | I1025-P1033 WeakPolarHBondContact O-CA 3.18Å; I1025-T1034 PolarHBondContact N-O 3.28Å; I1025-T1034 PolarHBondContact O-N 3.12Å; I1025-C1036 HydrophobicContact CD1-CB 4.19Å; I1025-L1052 HydrophobicContact CD1-CD2 3.93Å; I1025-L1087 HydrophobicContact CD1-CD1 3.87Å; I1025-L1087 HydrophobicContact CD1-CD2 4.12Å; I1025-L1087 HydrophobicContact CG1-CD2 4.3Å; I1025-L1087 HydrophobicContact CG2-CD2 4.15Å; I1025-M1100 HydrophobicContact CG2-CE 3.48Å; I1025-M1100 VanDerWaalsContact CG2-CE 3.48Å |
| 1026 | I | 92.8 | Very high | 88.7 | Confident | 3 Ų | 3 | 32.1 Ų | 32.1 | 2% | 0.015 | 18% | 0.179 | C | C | . | . | trans | -97.7 | 113 | 178.6 | -60.1 | -63.6 | 0 | 0 | 0 | 110.2 | V974 N976 F978 P1033 Q1081 | V974-I1026 HydrophobicContact CB-CD1 4.48Å; V974-I1026 HydrophobicContact CG1-CD1 3.81Å; V974-I1026 HydrophobicContact CG2-CD1 3.82Å; V974-I1026 HydrophobicContact CG2-CG1 3.64Å; N976-I1026 HydrophobicContact CB-CD1 3.94Å; N976-I1026 HydrophobicContact CB-CG2 4.29Å; F978-I1026 HydrophobicContact CD2-CG2 3.66Å; F978-I1026 HydrophobicContact CE2-CG2 3.7Å; I1026-P1033 HydrophobicContact CD1-CB 4.09Å; I1026-Q1081 PolarHBondContact O-NE2 2.79Å; I1026-Q1081 PolarHBondContact O-OE1 3.03Å | ||
| 1027 | N | 88.3 | Confident | 89.1 | Confident | 35 Ų | 35 | 32.1 Ų | 32.1 | 19% | 0.187 | 18% | 0.179 | C | C | . | . | trans | -93.1 | 124.2 | 167 | -64.8 | -51.6 | 0 | 0 | 0 | 109.3 | N1029 Q1030 T1034 M1100 | N1027-N1029 PolarHBondContact O-N 2.98Å; N1027-N1029 VanDerWaalsContact O-N 3.13Å; N1027-Q1030 HydrophobicContact CB-CB 4.05Å; N1027-Q1030 HydrophobicContact CB-CG 3.98Å; N1027-Q1030 PolarHBondContact ND2-OE1 2.99Å; N1027-Q1030 PolarHBondContact O-N 2.8Å; N1027-T1034 PolarHBondContact ND2-OG1 3.01Å; N1027-M1100 VanDerWaalsContact OD1-CE 3.28Å; N1027-M1100 WeakPolarHBondContact OD1-CE 3.18Å | ||
| 1028 | P | 86 | Confident | 89.7 | Confident | 42 Ų | 42 | 25.1 Ų | 25.1 | 27% | 0.273 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -36.4 | -179.1 | -26 | 32.1 | 0 | 0 | 0 | 113.8 | F978 K979 Q1030 T1084 | F978-P1028 HydrophobicContact CD1-CB 4.38Å; F978-P1028 HydrophobicContact CD1-CG 4.4Å; F978-P1028 HydrophobicContact CD2-CB 4.05Å; F978-P1028 HydrophobicContact CD2-CG 3.97Å; F978-P1028 HydrophobicContact CE1-CG 4.18Å; F978-P1028 HydrophobicContact CE2-CB 4.33Å; F978-P1028 HydrophobicContact CE2-CG 3.73Å; F978-P1028 HydrophobicContact CG-CB 4.1Å; F978-P1028 HydrophobicContact CG-CG 4.32Å; F978-P1028 HydrophobicContact CZ-CG 3.88Å; K979-P1028 PolarHBondContact NZ-O 3.16Å; P1028-Q1030 VanDerWaalsContact C-N 3.26Å; P1028-Q1030 PolarHBondContact O-N 2.89Å; P1028-T1084 HydrophobicContact CG-CG2 3.71Å |
| 1029 | N | 86 | Confident | 90.3 | Very high | 162 Ų | 162 | 22.4 Ų | 22.4 | 87% | 0.866 | 12% | 0.124 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | -10.4 | -177.1 | -60.6 | -11.3 | 0 | 0 | 0 | 113.6 | N1027 | N1027-N1029 PolarHBondContact O-N 2.98Å; N1027-N1029 VanDerWaalsContact O-N 3.13Å |
| 1030 | Q | 86.1 | Confident | 90.5 | Very high | 40 Ų | 40 | 22.5 Ų | 22.5 | 19% | 0.187 | 12% | 0.124 | C | C | . | . | trans | -108 | 159.4 | -176.1 | -71.1 | -178.3 | -20.9 | 0 | 0 | 111.9 | K979 N1027 P1028 T1034 N1054 N1056 | K979-Q1030 PolarHBondContact NZ-O 2.87Å; N1027-Q1030 HydrophobicContact CB-CB 4.05Å; N1027-Q1030 HydrophobicContact CB-CG 3.98Å; N1027-Q1030 PolarHBondContact ND2-OE1 2.99Å; N1027-Q1030 PolarHBondContact O-N 2.8Å; P1028-Q1030 VanDerWaalsContact C-N 3.26Å; P1028-Q1030 PolarHBondContact O-N 2.89Å; Q1030-T1034 PolarHBondContact OE1-OG1 3.45Å; Q1030-N1054 PolarHBondContact NE2-ND2 2.97Å; Q1030-N1054 PolarHBondContact NE2-OD1 2.82Å; Q1030-N1056 PolarHBondContact OE1-ND2 3.07Å | ||
| 1031 | T | 86.8 | Confident | 91 | Very high | 82 Ų | 82 | 23.3 Ų | 23.3 | 50% | 0.503 | 13% | 0.134 | S | C | . | . | S | Bend | trans | -88.4 | -53.9 | 176.3 | 42.3 | 0 | 0 | 0 | 0 | 110.8 | Y983 N1056 | Y983-T1031 WeakPolarHBondContact CE2-O 3.31Å; T1031-N1056 PolarHBondContact N-OD1 3.04Å; T1031-N1056 PolarHBondContact OG1-OD1 3.35Å; T1031-N1056 VanDerWaalsContact OG1-OD1 3.07Å |
| 1032 | L | 91.8 | Very high | 91 | Very high | 15 Ų | 15 | 25.5 Ų | 25.5 | 8% | 0.079 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -89 | 155.7 | 177.1 | -57.2 | 179.8 | 0 | 0 | 0 | 110.9 | Y983 V994 K1008 L1055 N1056 | Y983-L1032 HydrophobicContact CD1-CD2 4.05Å; Y983-L1032 HydrophobicContact CE1-CD2 3.61Å; V994-L1032 HydrophobicContact CG1-CD1 4.4Å; V994-L1032 HydrophobicContact CG1-CD2 4.13Å; K1008-L1032 HydrophobicContact CD-CD1 4.19Å; L1032-L1055 HydrophobicContact CB-CB 3.98Å; L1032-L1055 HydrophobicContact CD1-CB 4.15Å; L1032-N1056 PolarHBondContact N-OD1 2.83Å; L1032-N1056 PolarHBondContact O-ND2 3.26Å; L1032-N1056 PolarHBondContact O-OD1 3.22Å |
| 1033 | P | 93.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | P | Polyproline II helix | trans | -64.7 | 163.7 | 172 | 23.9 | -30.1 | 0 | 0 | 0 | 112.7 | V974 Y983 L1024 I1025 I1026 L1055 | V974-P1033 HydrophobicContact CG1-CB 4.19Å; V974-P1033 HydrophobicContact CG1-CG 4.09Å; Y983-P1033 HydrophobicContact CG-CG 4.5Å; L1024-P1033 HydrophobicContact CB-CB 4.21Å; L1024-P1033 HydrophobicContact CD1-CG 4.24Å; L1024-P1033 HydrophobicContact CD2-CB 4.33Å; L1024-P1033 HydrophobicContact CD2-CG 4.29Å; I1025-P1033 WeakPolarHBondContact O-CA 3.18Å; I1026-P1033 HydrophobicContact CD1-CB 4.09Å; P1033-L1055 HydrophobicContact CG-CD1 4.09Å; P1033-L1055 WeakPolarHBondContact O-CB 3.4Å; P1033-L1055 WeakPolarHBondContact O-CD1 3.2Å; P1033-L1055 WeakPolarHBondContact O-CG 3.16Å |
| 1034 | T | 93.6 | Very high | 90.6 | Very high | 8 Ų | 8 | 35.4 Ų | 35.4 | 5% | 0.049 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 142 | 160.3 | -68.1 | 0 | 0 | 0 | 0 | 108.4 | I1025 N1027 Q1030 L1052 | I1025-T1034 PolarHBondContact N-O 3.28Å; I1025-T1034 PolarHBondContact O-N 3.12Å; N1027-T1034 PolarHBondContact ND2-OG1 3.01Å; Q1030-T1034 PolarHBondContact OE1-OG1 3.45Å; T1034-L1052 HydrophobicContact CG2-CB 3.81Å; T1034-L1052 HydrophobicContact CG2-CD1 4.4Å; T1034-L1052 HydrophobicContact CG2-CD2 4.2Å; T1034-L1052 HydrophobicContact CG2-CG 4.35Å |
| 1035 | V | 93.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 129.5 | 179.8 | -165.1 | 0 | 0 | 0 | 0 | 110.1 | I992 F1022 D1023 L1024 L1037 L1052 V1053 L1055 | I992-V1035 HydrophobicContact CD1-CB 4.18Å; I992-V1035 HydrophobicContact CD1-CG1 4.33Å; I992-V1035 HydrophobicContact CD1-CG2 3.99Å; I992-V1035 HydrophobicContact CG2-CG2 4.45Å; F1022-V1035 HydrophobicContact CD2-CG1 3.74Å; F1022-V1035 HydrophobicContact CE2-CG1 3.7Å; F1022-V1035 HydrophobicContact CG-CG1 4.39Å; F1022-V1035 HydrophobicContact CZ-CG1 4.3Å; D1023-V1035 CarbonylContact O-C 3.55Å; D1023-V1035 WeakPolarHBondContact O-CA 3.43Å; L1024-V1035 HydrophobicContact CD2-CB 4.19Å; L1024-V1035 HydrophobicContact CD2-CG1 4.03Å; L1024-V1035 HydrophobicContact CD2-CG2 3.65Å; V1035-L1037 HydrophobicContact CB-CD2 4.43Å; V1035-L1037 HydrophobicContact CG1-CD2 3.71Å; V1035-L1052 CarbonylContact O-C 3.59Å; V1035-L1052 WeakPolarHBondContact O-CA 3.35Å; V1035-V1053 PolarHBondContact N-O 3.28Å; V1035-V1053 PolarHBondContact O-N 3Å; V1035-L1055 HydrophobicContact CG2-CD1 3.69Å; V1035-L1055 HydrophobicContact CG2-CD2 4Å; V1035-L1055 HydrophobicContact CG2-CG 3.9Å |
| 1036 | C | 93.7 | Very high | 90 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 119.6 | 167.3 | -167.1 | 0 | 0 | 0 | 0 | 109.6 | N1021 F1022 D1023 I1025 G1038 L1052 | N1021-C1036 CarbonylContact C-O 3.54Å; F1022-C1036 WeakPolarHBondContact CA-O 3.48Å; D1023-C1036 HydrophobicContact CB-CB 4.46Å; D1023-C1036 PolarHBondContact N-O 2.72Å; D1023-C1036 VanDerWaalsContact N-O 3.12Å; D1023-C1036 PolarHBondContact O-N 2.97Å; I1025-C1036 HydrophobicContact CD1-CB 4.19Å; C1036-G1038 PolarHBondContact SG-O 2.72Å; C1036-G1038 VanDerWaalsContact SG-O 3.39Å; C1036-L1052 HydrophobicContact CB-CD2 3.8Å |
| 1037 | L | 92.2 | Very high | 90 | Very high | 5 Ų | 5 | 44.2 Ų | 44.2 | 3% | 0.026 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | -5.1 | 179.8 | -56.4 | -176.4 | 0 | 0 | 0 | 113.3 | I992 V1012 M1015 P1016 L1019 N1021 F1022 V1035 H1051 V1053 Q1073 | I992-L1037 HydrophobicContact CD1-CD2 4.21Å; V1012-L1037 HydrophobicContact CG1-CD1 3.93Å; M1015-L1037 HydrophobicContact SD-CD1 4.08Å; M1015-L1037 HydrophobicContact SD-CD2 4.45Å; P1016-L1037 HydrophobicContact CG-CB 4.06Å; L1019-L1037 HydrophobicContact CD1-CB 4.03Å; L1019-L1037 HydrophobicContact CD1-CD2 4.12Å; N1021-L1037 CarbonylContact O-C 3.5Å; N1021-L1037 WeakPolarHBondContact O-CA 3.48Å; F1022-L1037 HydrophobicContact CD2-CD2 3.63Å; F1022-L1037 HydrophobicContact CE2-CD2 3.91Å; V1035-L1037 HydrophobicContact CB-CD2 4.43Å; V1035-L1037 HydrophobicContact CG1-CD2 3.71Å; L1037-H1051 PolarHBondContact N-O 3.26Å; L1037-V1053 HydrophobicContact CD1-CG2 3.59Å; L1037-V1053 HydrophobicContact CG-CG2 4.13Å; L1037-Q1073 PolarHBondContact O-NE2 3.29Å |
| 1038 | G | 89.8 | Confident | 90.2 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 160.6 | 175.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | C1036 H1051 | C1036-G1038 PolarHBondContact SG-O 2.72Å; C1036-G1038 VanDerWaalsContact SG-O 3.39Å; G1038-H1051 WeakPolarHBondContact O-CB 3.36Å; G1038-H1051 PolarHBondContact O-CD2 3.33Å; G1038-H1051 PolarHBondContact O-N 2.91Å |
| 1039 | V | 91.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 137.5 | 175.4 | -174.4 | 0 | 0 | 0 | 0 | 108.5 | Y1048 K1049 L1050 L1074 V1076 V1079 I1089 | V1039-Y1048 HydrophobicContact CG1-CD1 3.98Å; V1039-Y1048 HydrophobicContact CG1-CG 4.18Å; V1039-K1049 WeakPolarHBondContact CA-O 3.02Å; V1039-L1050 HydrophobicContact CG1-CD2 4.26Å; V1039-L1050 HydrophobicContact CG2-CD2 3.84Å; V1039-L1074 HydrophobicContact CG1-CD1 4.43Å; V1039-L1074 PolarHBondContact O-N 3.01Å; V1039-V1076 HydrophobicContact CB-CG2 3.87Å; V1039-V1076 HydrophobicContact CG2-CG2 3.92Å; V1039-V1079 HydrophobicContact CG2-CG2 3.9Å; V1039-I1089 HydrophobicContact CG1-CD1 4.21Å; V1039-I1089 HydrophobicContact CG2-CD1 4.45Å; V1039-I1089 HydrophobicContact CG2-CG2 4.26Å |
| 1040 | S | 90.2 | Very high | 90.7 | Very high | 5 Ų | 5 | 38.2 Ų | 38.2 | 4% | 0.035 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 157.1 | 167.3 | 56.5 | 0 | 0 | 0 | 0 | 110.9 | K1049 H1051 D1072 | S1040-K1049 PolarHBondContact N-O 3.37Å; S1040-K1049 PolarHBondContact O-N 3.27Å; S1040-K1049 WeakPolarHBondContact OG-CB 3.27Å; S1040-H1051 WeakPolarHBondContact CA-NE2 3.49Å; S1040-H1051 WeakPolarHBondContact CB-NE2 3.44Å; S1040-H1051 PolarHBondContact N-NE2 3.21Å; S1040-H1051 PolarHBondContact OG-NE2 2.89Å; S1040-D1072 WeakPolarHBondContact CA-O 3.18Å; S1040-D1072 WeakPolarHBondContact CB-O 3.29Å |
| 1041 | S | 89.4 | Confident | 90.9 | Very high | 62 Ų | 62 | 37 Ų | 37 | 43% | 0.434 | 22% | 0.217 | S | C | . | . | trans | -66.4 | 162.8 | 169.7 | 45 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1042 | T | 88.8 | Confident | 91.1 | Very high | 46 Ų | 46 | 36.2 Ų | 36.2 | 28% | 0.282 | 21% | 0.209 | S | C | . | . | trans | -126.6 | 170.4 | 164.2 | 81 | 0 | 0 | 0 | 0 | 109.3 | D1044 V1047 K1049 | T1042-D1044 PolarHBondContact O-N 2.87Å; T1042-D1044 PolarHBondContact OG1-N 3.47Å; T1042-D1044 PolarHBondContact OG1-O 3.38Å; T1042-D1044 VanDerWaalsContact OG1-O 3.09Å; T1042-V1047 WeakPolarHBondContact CB-O 3.38Å; T1042-V1047 HydrophobicContact CG2-CG1 4.47Å; T1042-V1047 VanDerWaalsContact CG2-O 3.3Å; T1042-V1047 WeakPolarHBondContact CG2-O 3.38Å; T1042-V1047 PolarHBondContact OG1-O 3.01Å; T1042-K1049 HydrophobicContact CG2-CB 3.76Å | ||
| 1043 | P | 88.4 | Confident | 91 | Very high | 142 Ų | 142 | 36.1 Ų | 36.1 | 92% | 0.922 | 21% | 0.209 | S | C | * | . | S | Bend | trans | -61.7 | -17.2 | 173.1 | -24.5 | 36 | 0 | 0 | 0 | 114.5 | ||
| 1044 | D | 90.3 | Very high | 90.9 | Very high | 73 Ų | 73 | 37.4 Ų | 37.4 | 39% | 0.39 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -93.6 | 114.6 | 170.7 | -176.4 | -15.7 | 0 | 0 | 0 | 109.2 | T1042 L1046 V1047 | T1042-D1044 PolarHBondContact O-N 2.87Å; T1042-D1044 PolarHBondContact OG1-N 3.47Å; T1042-D1044 PolarHBondContact OG1-O 3.38Å; T1042-D1044 VanDerWaalsContact OG1-O 3.09Å; D1044-L1046 PolarHBondContact O-N 2.89Å; D1044-L1046 VanDerWaalsContact O-N 3.14Å; D1044-L1046 WeakPolarHBondContact OD1-CB 3.39Å; D1044-L1046 PolarHBondContact OD1-N 3.45Å; D1044-V1047 HydrophobicContact CB-CB 4.2Å; D1044-V1047 HydrophobicContact CB-CG2 4.06Å; D1044-V1047 PolarHBondContact O-N 3.38Å; D1044-V1047 VanDerWaalsContact O-O 3.09Å; D1044-V1047 WeakPolarHBondContact OD2-CG2 3.33Å |
| 1045 | P | 86.8 | Confident | 90.8 | Very high | 111 Ų | 111 | 37 Ų | 37 | 72% | 0.721 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -9.7 | -179.1 | 30.1 | -36.4 | 0 | 0 | 0 | 113.7 | ||
| 1046 | L | 90.8 | Very high | 90.6 | Very high | 74 Ų | 74 | 38.8 Ų | 38.8 | 39% | 0.387 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | 4.8 | 171.8 | -57.6 | 178.6 | 0 | 0 | 0 | 112.6 | D1044 R1103 V1104 I1112 | D1044-L1046 PolarHBondContact O-N 2.89Å; D1044-L1046 VanDerWaalsContact O-N 3.14Å; D1044-L1046 WeakPolarHBondContact OD1-CB 3.39Å; D1044-L1046 PolarHBondContact OD1-N 3.45Å; L1046-R1103 CarbonylContact O-C 3.46Å; L1046-R1103 WeakPolarHBondContact O-CA 3.45Å; L1046-V1104 PolarHBondContact O-N 3.38Å; L1046-I1112 HydrophobicContact CD2-CD1 3.8Å; L1046-I1112 HydrophobicContact CD2-CG1 4.33Å |
| 1047 | V | 93 | Very high | 90.1 | Very high | 27 Ų | 27 | 42.6 Ų | 42.6 | 16% | 0.164 | 24% | 0.241 | C | C | . | . | B | Isolated β-bridge | trans | -133.5 | 118.9 | 179.3 | -171.1 | 0 | 0 | 0 | 0 | 111.7 | T1042 D1044 R1103 | T1042-V1047 WeakPolarHBondContact CB-O 3.38Å; T1042-V1047 HydrophobicContact CG2-CG1 4.47Å; T1042-V1047 VanDerWaalsContact CG2-O 3.3Å; T1042-V1047 WeakPolarHBondContact CG2-O 3.38Å; T1042-V1047 PolarHBondContact OG1-O 3.01Å; D1044-V1047 HydrophobicContact CB-CB 4.2Å; D1044-V1047 HydrophobicContact CB-CG2 4.06Å; D1044-V1047 PolarHBondContact O-N 3.38Å; D1044-V1047 VanDerWaalsContact O-O 3.09Å; D1044-V1047 WeakPolarHBondContact OD2-CG2 3.33Å; V1047-R1103 HydrophobicContact CG1-CG 4.27Å; V1047-R1103 HydrophobicContact CG2-CB 4.41Å; V1047-R1103 HydrophobicContact CG2-CG 3.87Å |
| 1048 | Y | 92.5 | Very high | 88.8 | Confident | 31 Ų | 31 | 49.4 Ų | 49.4 | 12% | 0.122 | 28% | 0.277 | C | S | . | . | trans | -95 | 142 | 168.9 | -65.3 | -82.2 | 0 | 0 | 0 | 110.5 | V1039 L1074 I1089 F1091 T1096 V1098 G1102 V1104 | V1039-Y1048 HydrophobicContact CG1-CD1 3.98Å; V1039-Y1048 HydrophobicContact CG1-CG 4.18Å; Y1048-L1074 HydrophobicContact CD1-CD1 3.78Å; Y1048-L1074 HydrophobicContact CE1-CD1 3.79Å; Y1048-I1089 HydrophobicContact CD2-CD1 4.02Å; Y1048-I1089 HydrophobicContact CG-CD1 4Å; Y1048-F1091 HydrophobicContact CD1-CZ 4.1Å; Y1048-F1091 HydrophobicContact CE1-CE1 4.46Å; Y1048-F1091 HydrophobicContact CE1-CE2 4.18Å; Y1048-F1091 AromaticContact CE1-CZ 3.56Å; Y1048-F1091 HydrophobicContact CE1-CZ 3.56Å; Y1048-F1091 AromaticContact CZ-CZ 3.94Å; Y1048-T1096 HydrophobicContact CD2-CG2 4.5Å; Y1048-T1096 HydrophobicContact CE2-CG2 3.73Å; Y1048-V1098 HydrophobicContact CD2-CG1 3.9Å; Y1048-G1102 PolarHBondContact N-O 3.41Å; Y1048-G1102 WeakPolarHBondContact O-CA 3.46Å; Y1048-V1104 HydrophobicContact CD2-CG2 3.87Å; Y1048-V1104 HydrophobicContact CE2-CG2 3.55Å | ||
| 1049 | K | 91.5 | Very high | 87.1 | Confident | 58 Ų | 58 | 52.4 Ų | 52.4 | 25% | 0.252 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 107.2 | 173.3 | 173.3 | 178.9 | 170.7 | -166.7 | 0 | 109.1 | V1039 S1040 T1042 H1051 C1068 | V1039-K1049 WeakPolarHBondContact CA-O 3.02Å; S1040-K1049 PolarHBondContact N-O 3.37Å; S1040-K1049 PolarHBondContact O-N 3.27Å; S1040-K1049 WeakPolarHBondContact OG-CB 3.27Å; T1042-K1049 HydrophobicContact CG2-CB 3.76Å; K1049-H1051 PolarHBondContact O-CD2 2.91Å; K1049-C1068 PolarHBondContact NZ-SG 3.12Å |
| 1050 | L | 91 | Very high | 85.1 | Confident | 23 Ų | 23 | 56.7 Ų | 56.7 | 12% | 0.12 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 127.4 | 175.9 | -56.2 | 177.7 | 0 | 0 | 0 | 110 | V1039 L1052 L1087 I1089 | V1039-L1050 HydrophobicContact CG1-CD2 4.26Å; V1039-L1050 HydrophobicContact CG2-CD2 3.84Å; L1050-L1052 VanDerWaalsContact C-N 3.35Å; L1050-L1052 HydrophobicContact CB-CD1 4.14Å; L1050-L1052 HydrophobicContact CB-CD2 3.95Å; L1050-L1052 HydrophobicContact CB-CG 3.72Å; L1050-L1052 HydrophobicContact CD1-CD1 4.38Å; L1050-L1052 PolarHBondContact O-N 3.22Å; L1050-L1052 VanDerWaalsContact O-N 3.1Å; L1050-L1087 HydrophobicContact CD1-CD1 3.7Å; L1050-I1089 HydrophobicContact CD2-CD1 3.91Å |
| 1051 | H | 89.5 | Confident | 83 | Confident | 16 Ų | 16 | 59.1 Ų | 59.1 | 7% | 0.074 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 77.6 | 178.8 | -65.1 | -109 | 0 | 0 | 0 | 109.4 | L1037 G1038 S1040 K1049 C1068 F1070 | L1037-H1051 PolarHBondContact N-O 3.26Å; G1038-H1051 WeakPolarHBondContact O-CB 3.36Å; G1038-H1051 PolarHBondContact O-CD2 3.33Å; G1038-H1051 PolarHBondContact O-N 2.91Å; S1040-H1051 WeakPolarHBondContact CA-NE2 3.49Å; S1040-H1051 WeakPolarHBondContact CB-NE2 3.44Å; S1040-H1051 PolarHBondContact N-NE2 3.21Å; S1040-H1051 PolarHBondContact OG-NE2 2.89Å; K1049-H1051 PolarHBondContact O-CD2 2.91Å; H1051-C1068 WeakPolarHBondContact CE1-CB 3.41Å; H1051-C1068 PolarHBondContact CE1-SG 3.45Å; H1051-C1068 PolarHBondContact ND1-SG 2.86Å; H1051-F1070 AromaticContact CE1-CD1 3.91Å; H1051-F1070 AromaticContact CE1-CE1 3.81Å; H1051-F1070 AromaticContact ND1-CE1 3.29Å; H1051-F1070 VanDerWaalsContact ND1-CE1 3.29Å; H1051-F1070 WeakPolarHBondContact ND1-CE1 3.43Å; H1051-F1070 AromaticContact ND1-CZ 3.99Å |
| 1052 | L | 90.8 | Very high | 81.1 | Confident | 65 Ų | 65 | 57 Ų | 57 | 34% | 0.34 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 130.2 | -172.4 | -59.9 | -176.9 | 0 | 0 | 0 | 112.8 | I1025 T1034 V1035 C1036 L1050 | I1025-L1052 HydrophobicContact CD1-CD2 3.93Å; T1034-L1052 HydrophobicContact CG2-CB 3.81Å; T1034-L1052 HydrophobicContact CG2-CD1 4.4Å; T1034-L1052 HydrophobicContact CG2-CD2 4.2Å; T1034-L1052 HydrophobicContact CG2-CG 4.35Å; V1035-L1052 CarbonylContact O-C 3.59Å; V1035-L1052 WeakPolarHBondContact O-CA 3.35Å; C1036-L1052 HydrophobicContact CB-CD2 3.8Å; L1050-L1052 VanDerWaalsContact C-N 3.35Å; L1050-L1052 HydrophobicContact CB-CD1 4.14Å; L1050-L1052 HydrophobicContact CB-CD2 3.95Å; L1050-L1052 HydrophobicContact CB-CG 3.72Å; L1050-L1052 HydrophobicContact CD1-CD1 4.38Å; L1050-L1052 PolarHBondContact O-N 3.22Å; L1050-L1052 VanDerWaalsContact O-N 3.1Å |
| 1053 | V | 90.6 | Very high | 79.2 | Confident | 12 Ų | 12 | 58.9 Ų | 58.9 | 7% | 0.073 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 110.3 | 170.4 | 179.9 | 0 | 0 | 0 | 0 | 109.7 | I992 V1010 V1012 V1035 L1037 L1055 | I992-V1053 HydrophobicContact CD1-CB 4.35Å; I992-V1053 HydrophobicContact CD1-CG1 4.22Å; V1010-V1053 HydrophobicContact CG1-CG1 4.18Å; V1012-V1053 HydrophobicContact CG2-CG1 4.24Å; V1012-V1053 HydrophobicContact CG2-CG2 4.26Å; V1035-V1053 PolarHBondContact N-O 3.28Å; V1035-V1053 PolarHBondContact O-N 3Å; L1037-V1053 HydrophobicContact CD1-CG2 3.59Å; L1037-V1053 HydrophobicContact CG-CG2 4.13Å; V1053-L1055 HydrophobicContact CG1-CD2 4.33Å; V1053-L1055 PolarHBondContact O-N 3.37Å |
| 1054 | N | 90.5 | Very high | 77.2 | Confident | 27 Ų | 27 | 59.7 Ų | 59.7 | 14% | 0.144 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 107.3 | 177 | -178.4 | 6.6 | 0 | 0 | 0 | 111 | Q1030 N1056 E1057 | Q1030-N1054 PolarHBondContact NE2-ND2 2.97Å; Q1030-N1054 PolarHBondContact NE2-OD1 2.82Å; N1054-N1056 PolarHBondContact O-N 2.93Å; N1054-N1056 VanDerWaalsContact OD1-CB 3.28Å; N1054-N1056 WeakPolarHBondContact OD1-CB 3.38Å; N1054-N1056 PolarHBondContact OD1-N 3.46Å; N1054-N1056 VanDerWaalsContact OD1-N 3.07Å; N1054-N1056 PolarHBondContact OD1-ND2 3.27Å; N1054-E1057 WeakPolarHBondContact CB-OE1 3.4Å; N1054-E1057 PolarHBondContact ND2-OE1 2.85Å; N1054-E1057 PolarHBondContact O-N 3.31Å |
| 1055 | L | 91.9 | Very high | 74.9 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -13.8 | -178 | -56.7 | 174.1 | 0 | 0 | 0 | 113.5 | I992 V994 K1008 V1010 L1032 P1033 V1035 V1053 | I992-L1055 HydrophobicContact CB-CD2 4.35Å; I992-L1055 HydrophobicContact CD1-CD2 4.42Å; I992-L1055 HydrophobicContact CG2-CD2 3.99Å; V994-L1055 HydrophobicContact CG1-CD1 4.27Å; V994-L1055 HydrophobicContact CG2-CB 4.47Å; V994-L1055 HydrophobicContact CG2-CD1 3.69Å; V994-L1055 HydrophobicContact CG2-CD2 3.99Å; V994-L1055 HydrophobicContact CG2-CG 4.27Å; K1008-L1055 PolarHBondContact NZ-O 3.25Å; V1010-L1055 HydrophobicContact CB-CD2 4.06Å; V1010-L1055 HydrophobicContact CG1-CD2 4.45Å; V1010-L1055 HydrophobicContact CG2-CD2 3.74Å; L1032-L1055 HydrophobicContact CB-CB 3.98Å; L1032-L1055 HydrophobicContact CD1-CB 4.15Å; P1033-L1055 HydrophobicContact CG-CD1 4.09Å; P1033-L1055 WeakPolarHBondContact O-CB 3.4Å; P1033-L1055 WeakPolarHBondContact O-CD1 3.2Å; P1033-L1055 WeakPolarHBondContact O-CG 3.16Å; V1035-L1055 HydrophobicContact CG2-CD1 3.69Å; V1035-L1055 HydrophobicContact CG2-CD2 4Å; V1035-L1055 HydrophobicContact CG2-CG 3.9Å; V1053-L1055 HydrophobicContact CG1-CD2 4.33Å; V1053-L1055 PolarHBondContact O-N 3.37Å |
| 1056 | N | 89.8 | Confident | 73 | Confident | 37 Ų | 37 | 61.3 Ų | 61.3 | 20% | 0.198 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | -22.6 | -179 | -57 | -94.4 | 0 | 0 | 0 | 112.8 | Q1030 T1031 L1032 N1054 | Q1030-N1056 PolarHBondContact OE1-ND2 3.07Å; T1031-N1056 PolarHBondContact N-OD1 3.04Å; T1031-N1056 PolarHBondContact OG1-OD1 3.35Å; T1031-N1056 VanDerWaalsContact OG1-OD1 3.07Å; L1032-N1056 PolarHBondContact N-OD1 2.83Å; L1032-N1056 PolarHBondContact O-ND2 3.26Å; L1032-N1056 PolarHBondContact O-OD1 3.22Å; N1054-N1056 PolarHBondContact O-N 2.93Å; N1054-N1056 VanDerWaalsContact OD1-CB 3.28Å; N1054-N1056 WeakPolarHBondContact OD1-CB 3.38Å; N1054-N1056 PolarHBondContact OD1-N 3.46Å; N1054-N1056 VanDerWaalsContact OD1-N 3.07Å; N1054-N1056 PolarHBondContact OD1-ND2 3.27Å |
| 1057 | E | 83.3 | Confident | 70.8 | Confident | 80 Ų | 80 | 63.7 Ų | 63.7 | 37% | 0.374 | 34% | 0.341 | S | S | . | . | trans | -75.3 | 136.3 | 179.2 | -76.4 | 164.7 | -135.1 | 0 | 0 | 111.3 | K1008 N1054 S1062 | K1008-E1057 PolarHBondContact NZ-O 2.83Å; N1054-E1057 WeakPolarHBondContact CB-OE1 3.4Å; N1054-E1057 PolarHBondContact ND2-OE1 2.85Å; N1054-E1057 PolarHBondContact O-N 3.31Å; E1057-S1062 VanDerWaalsContact OE2-CB 3.28Å; E1057-S1062 WeakPolarHBondContact OE2-CB 3.34Å | ||
| 1058 | N | 64.4 | Low | 68.7 | Low | 148 Ų | 148 | 64.3 Ų | 64.3 | 79% | 0.791 | 35% | 0.346 | S | S | * | . | trans | -96.8 | -4.2 | -174.2 | -74.4 | -18.4 | 0 | 0 | 0 | 114.1 | K1008 | K1008-N1058 PolarHBondContact NZ-OD1 3Š| ||
| 1059 | S | 53.2 | Low | 66.9 | Low | 63 Ų | 63 | 71 Ų | 71 | 44% | 0.441 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -102.4 | 145 | 178.6 | 40 | 0 | 0 | 0 | 0 | 110.7 | S1061 | S1059-S1061 WeakPolarHBondContact CB-OG 3.42Å; S1059-S1061 PolarHBondContact O-N 2.94Å; S1059-S1061 PolarHBondContact OG-OG 2.87Å |
| 1060 | N | 50.5 | Low | 65.5 | Low | 90 Ų | 90 | 71.2 Ų | 71.2 | 48% | 0.481 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | 20.6 | 167 | -76.3 | 14.2 | 0 | 0 | 0 | 112.7 | E1011 W1063 Y1064 | E1011-N1060 PolarHBondContact OE2-ND2 2.77Å; N1060-W1063 PolarHBondContact O-NE1 2.87Å; N1060-Y1064 WeakPolarHBondContact O-CD2 3.32Å; N1060-Y1064 VanDerWaalsContact O-CE2 3.25Å; N1060-Y1064 WeakPolarHBondContact O-CE2 3.42Å |
| 1061 | S | 46.8 | Very low | 64.1 | Low | 56 Ų | 56 | 77.1 Ų | 77.1 | 39% | 0.392 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | -18.6 | 179.4 | 61.3 | 0 | 0 | 0 | 0 | 113.6 | S1059 W1063 Y1064 | S1059-S1061 WeakPolarHBondContact CB-OG 3.42Å; S1059-S1061 PolarHBondContact O-N 2.94Å; S1059-S1061 PolarHBondContact OG-OG 2.87Å; S1061-W1063 PolarHBondContact O-N 3.19Å; S1061-Y1064 PolarHBondContact O-N 3.27Å |
| 1062 | S | 48.3 | Very low | 63.2 | Low | 19 Ų | 19 | 81 Ų | 81 | 13% | 0.133 | 42% | 0.42 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -13.8 | -170.3 | 58.3 | 0 | 0 | 0 | 0 | 114.8 | E1057 | E1057-S1062 VanDerWaalsContact OE2-CB 3.28Å; E1057-S1062 WeakPolarHBondContact OE2-CB 3.34Å |
| 1063 | W | 50.2 | Low | 62.6 | Low | 84 Ų | 84 | 79.5 Ų | 79.5 | 32% | 0.318 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103 | -3.6 | 174.5 | 64.6 | -92.8 | 0 | 0 | 0 | 114.6 | P1013 N1060 S1061 T1065 | P1013-W1063 HydrophobicContact CB-CZ2 4.22Å; P1013-W1063 HydrophobicContact CG-CD2 4.46Å; P1013-W1063 HydrophobicContact CG-CZ2 3.73Å; N1060-W1063 PolarHBondContact O-NE1 2.87Å; S1061-W1063 PolarHBondContact O-N 3.19Å; W1063-T1065 VanDerWaalsContact C-N 3.33Å |
| 1064 | Y | 46.2 | Very low | 62.5 | Low | 159 Ų | 159 | 81.2 Ų | 81.2 | 62% | 0.624 | 42% | 0.42 | S | S | * | . | trans | -80.8 | -11.1 | -178.1 | -81.2 | -95.2 | 0 | 0 | 0 | 113.8 | N1060 S1061 N1066 | N1060-Y1064 WeakPolarHBondContact O-CD2 3.32Å; N1060-Y1064 VanDerWaalsContact O-CE2 3.25Å; N1060-Y1064 WeakPolarHBondContact O-CE2 3.42Å; S1061-Y1064 PolarHBondContact O-N 3.27Å; Y1064-N1066 PolarHBondContact O-N 3Å; Y1064-N1066 VanDerWaalsContact O-N 3.14Å | ||
| 1065 | T | 41.3 | Very low | 62.4 | Low | 109 Ų | 109 | 85 Ų | 85 | 67% | 0.669 | 44% | 0.437 | S | S | * | . | S | Bend | trans | -80.5 | 92.8 | 174.3 | 39.1 | 0 | 0 | 0 | 0 | 110.9 | W1063 | W1063-T1065 VanDerWaalsContact C-N 3.33Š|
| 1066 | N | 46.3 | Very low | 62.3 | Low | 110 Ų | 110 | 85.4 Ų | 85.4 | 59% | 0.588 | 44% | 0.439 | S | S | * | . | S | Bend | trans | 83.4 | 118.8 | -175.4 | -49.6 | -81.4 | 0 | 0 | 0 | 114.7 | Y1064 C1068 | Y1064-N1066 PolarHBondContact O-N 3Å; Y1064-N1066 VanDerWaalsContact O-N 3.14Å; N1066-C1068 PolarHBondContact O-N 3.37Å |
| 1067 | S | 45 | Very low | 62.4 | Low | 124 Ų | 124 | 84.3 Ų | 84.3 | 87% | 0.867 | 43% | 0.433 | S | S | * | . | trans | -61.1 | 92.2 | 166.9 | -50.4 | 0 | 0 | 0 | 0 | 110.8 | R1069 | S1067-R1069 PolarHBondContact O-N 3.36Š| ||
| 1068 | C | 50 | Low | 62.7 | Low | 40 Ų | 40 | 81.7 Ų | 81.7 | 27% | 0.27 | 42% | 0.421 | S | S | . | . | trans | -73.8 | 96.8 | 178.5 | -72.2 | 0 | 0 | 0 | 0 | 111.2 | K1049 H1051 N1066 F1070 | K1049-C1068 PolarHBondContact NZ-SG 3.12Å; H1051-C1068 WeakPolarHBondContact CE1-CB 3.41Å; H1051-C1068 PolarHBondContact CE1-SG 3.45Å; H1051-C1068 PolarHBondContact ND1-SG 2.86Å; N1066-C1068 PolarHBondContact O-N 3.37Å; C1068-F1070 HydrophobicContact CB-CE1 4.17Å; C1068-F1070 HydrophobicContact CB-CE2 3.94Å; C1068-F1070 HydrophobicContact CB-CZ 3.75Å; C1068-F1070 WeakPolarHBondContact O-CD2 3.18Å; C1068-F1070 WeakPolarHBondContact O-CE2 3.2Å; C1068-F1070 PolarHBondContact O-N 3.29Å | ||
| 1069 | R | 54.6 | Low | 64.1 | Low | 170 Ų | 170 | 74.9 Ų | 74.9 | 64% | 0.642 | 38% | 0.384 | S | S | * | . | trans | -66.1 | 121 | 149.2 | -63.3 | 172.9 | 175.3 | -128.3 | 12 | 106.9 | S1067 E1071 | S1067-R1069 PolarHBondContact O-N 3.36Å; R1069-E1071 HydrophobicContact CB-CB 4.37Å; R1069-E1071 HydrophobicContact CB-CG 4.25Å; R1069-E1071 VanDerWaalsContact CD-OE2 3.31Å; R1069-E1071 WeakPolarHBondContact CD-OE2 3.08Å; R1069-E1071 IonicContact CZ-OE2 3.45Å; R1069-E1071 IonicContact NE-OE2 2.64Å; R1069-E1071 IonicContact NH1-OE2 3.82Å; R1069-E1071 PolarHBondContact NH1-OE2 2.69Å; R1069-E1071 PolarHBondContact O-N 3.13Å | ||
| 1070 | F | 61.8 | Low | 66 | Low | 63 Ų | 63 | 72.8 Ų | 72.8 | 28% | 0.276 | 37% | 0.369 | S | S | . | . | G | 310 helix | trans | -84.3 | 6.3 | 173.1 | -65 | -79.9 | 0 | 0 | 0 | 112.2 | C1014 P1016 H1051 C1068 D1072 Q1073 | C1014-F1070 HydrophobicContact CB-CE2 4.21Å; C1014-F1070 WeakPolarHBondContact O-CE2 3.17Å; C1014-F1070 WeakPolarHBondContact O-CZ 3.37Å; P1016-F1070 HydrophobicContact CB-CD1 4.32Å; P1016-F1070 HydrophobicContact CB-CE1 4.43Å; P1016-F1070 HydrophobicContact CG-CD1 3.99Å; P1016-F1070 HydrophobicContact CG-CE1 3.62Å; P1016-F1070 HydrophobicContact CG-CZ 3.92Å; H1051-F1070 AromaticContact CE1-CD1 3.91Å; H1051-F1070 AromaticContact CE1-CE1 3.81Å; H1051-F1070 AromaticContact ND1-CE1 3.29Å; H1051-F1070 VanDerWaalsContact ND1-CE1 3.29Å; H1051-F1070 WeakPolarHBondContact ND1-CE1 3.43Å; H1051-F1070 AromaticContact ND1-CZ 3.99Å; C1068-F1070 HydrophobicContact CB-CE1 4.17Å; C1068-F1070 HydrophobicContact CB-CE2 3.94Å; C1068-F1070 HydrophobicContact CB-CZ 3.75Å; C1068-F1070 WeakPolarHBondContact O-CD2 3.18Å; C1068-F1070 WeakPolarHBondContact O-CE2 3.2Å; C1068-F1070 PolarHBondContact O-N 3.29Å; F1070-D1072 PolarHBondContact O-N 2.73Å; F1070-Q1073 WeakPolarHBondContact O-CB 3.45Å; F1070-Q1073 PolarHBondContact O-N 3.17Å; F1070-Q1073 VanDerWaalsContact O-N 3.15Å |
| 1071 | E | 60.7 | Low | 68 | Low | 147 Ų | 147 | 70 Ų | 70 | 69% | 0.687 | 35% | 0.353 | S | S | * | . | G | 310 helix | trans | -57.2 | -31.7 | 172.4 | -57.6 | 176.8 | 138 | 0 | 0 | 111.4 | R1069 | R1069-E1071 HydrophobicContact CB-CB 4.37Å; R1069-E1071 HydrophobicContact CB-CG 4.25Å; R1069-E1071 VanDerWaalsContact CD-OE2 3.31Å; R1069-E1071 WeakPolarHBondContact CD-OE2 3.08Å; R1069-E1071 IonicContact CZ-OE2 3.45Å; R1069-E1071 IonicContact NE-OE2 2.64Å; R1069-E1071 IonicContact NH1-OE2 3.82Å; R1069-E1071 PolarHBondContact NH1-OE2 2.69Å; R1069-E1071 PolarHBondContact O-N 3.13Å |
| 1072 | D | 71 | Confident | 70 | Confident | 97 Ų | 97 | 68.2 Ų | 68.2 | 52% | 0.519 | 34% | 0.339 | S | S | . | . | G | 310 helix | trans | -98.9 | 17.7 | 178.8 | -51.9 | -57.6 | 0 | 0 | 0 | 113.9 | S1040 F1070 L1074 | S1040-D1072 WeakPolarHBondContact CA-O 3.18Å; S1040-D1072 WeakPolarHBondContact CB-O 3.29Å; F1070-D1072 PolarHBondContact O-N 2.73Å; D1072-L1074 PolarHBondContact O-N 3.39Å |
| 1073 | Q | 78.5 | Confident | 71.9 | Confident | 35 Ų | 35 | 70.7 Ų | 70.7 | 16% | 0.164 | 35% | 0.351 | C | S | . | . | B | Isolated β-bridge | trans | -71.3 | 121.9 | 179.7 | -178.6 | 162.8 | -5 | 0 | 0 | 111.2 | L1020 L1037 F1070 | L1020-Q1073 HydrophobicContact CD1-CG 4.44Å; L1037-Q1073 PolarHBondContact O-NE2 3.29Å; F1070-Q1073 WeakPolarHBondContact O-CB 3.45Å; F1070-Q1073 PolarHBondContact O-N 3.17Å; F1070-Q1073 VanDerWaalsContact O-N 3.15Å |
| 1074 | L | 88.4 | Confident | 73.7 | Confident | 47 Ų | 47 | 69.3 Ų | 69.3 | 25% | 0.246 | 35% | 0.352 | C | S | . | . | trans | -75.7 | 144.1 | 177.6 | -58.7 | 175.7 | 0 | 0 | 0 | 110.8 | V1039 Y1048 D1072 V1076 F1091 | V1039-L1074 HydrophobicContact CG1-CD1 4.43Å; V1039-L1074 PolarHBondContact O-N 3.01Å; Y1048-L1074 HydrophobicContact CD1-CD1 3.78Å; Y1048-L1074 HydrophobicContact CE1-CD1 3.79Å; D1072-L1074 PolarHBondContact O-N 3.39Å; L1074-V1076 HydrophobicContact CB-CG2 4.43Å; L1074-V1076 PolarHBondContact O-N 3.44Å; L1074-F1091 HydrophobicContact CB-CE1 3.91Å; L1074-F1091 HydrophobicContact CD1-CE1 3.78Å; L1074-F1091 HydrophobicContact CD1-CZ 4.13Å; L1074-F1091 HydrophobicContact CG-CE1 4.47Å | ||
| 1075 | Q | 87.8 | Confident | 75.7 | Confident | 108 Ų | 108 | 69.9 Ų | 69.9 | 51% | 0.505 | 35% | 0.353 | S | S | . | . | trans | -71.3 | 91.4 | 171.4 | -172.9 | -175 | -9.4 | 0 | 0 | 110 | H376 P1092 | H376-Q1075 PolarHBondContact ND1-NE2 2.66Å; Q1075-P1092 HydrophobicContact CG-CG 4.14Å; Q1075-P1092 WeakPolarHBondContact O-CD 3.48Å | ||
| 1076 | V | 91.2 | Very high | 78.2 | Confident | 7 Ų | 7 | 64.9 Ų | 64.9 | 4% | 0.042 | 32% | 0.322 | C | S | . | . | trans | -99.5 | 129.7 | 173.2 | 170.5 | 0 | 0 | 0 | 0 | 109.2 | N1021 V1039 L1074 K1078 V1079 I1089 C1090 F1091 | N1021-V1076 PolarHBondContact ND2-O 2.81Å; V1039-V1076 HydrophobicContact CB-CG2 3.87Å; V1039-V1076 HydrophobicContact CG2-CG2 3.92Å; L1074-V1076 HydrophobicContact CB-CG2 4.43Å; L1074-V1076 PolarHBondContact O-N 3.44Å; V1076-K1078 WeakPolarHBondContact CG1-O 3.47Å; V1076-V1079 HydrophobicContact CG1-CG2 3.91Å; V1076-I1089 HydrophobicContact CB-CG2 4.4Å; V1076-I1089 HydrophobicContact CG1-CG2 3.82Å; V1076-I1089 HydrophobicContact CG2-CG2 3.59Å; V1076-C1090 CarbonylContact C-O 3.56Å; V1076-C1090 WeakPolarHBondContact CA-O 3.48Å; V1076-F1091 HydrophobicContact CG2-CD1 3.78Å; V1076-F1091 HydrophobicContact CG2-CE1 3.41Å; V1076-F1091 VanDerWaalsContact CG2-CE1 3.41Å; V1076-F1091 HydrophobicContact CG2-CZ 4.06Å | ||
| 1077 | I | 90.3 | Very high | 80.4 | Confident | 14 Ų | 14 | 59.7 Ų | 59.7 | 7% | 0.072 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -68.1 | -47.5 | 175.3 | -53.3 | 169.5 | 0 | 0 | 0 | 110.1 | C1090 F1091 P1092 V1121 | I1077-C1090 HydrophobicContact CB-CB 4.29Å; I1077-C1090 WeakPolarHBondContact CB-O 3.4Å; I1077-C1090 HydrophobicContact CD1-CB 4.44Å; I1077-C1090 PolarHBondContact N-O 2.93Å; I1077-F1091 WeakPolarHBondContact CD1-O 3.22Å; I1077-P1092 HydrophobicContact CG1-CG 4.43Å; I1077-V1121 HydrophobicContact CD1-CB 4.04Å; I1077-V1121 HydrophobicContact CD1-CG1 3.84Å; I1077-V1121 WeakPolarHBondContact CD1-O 3.38Å |
| 1078 | K | 91.2 | Very high | 82.8 | Confident | 25 Ų | 25 | 53.8 Ų | 53.8 | 11% | 0.109 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.6 | 143.5 | -175.6 | -155.4 | 165.3 | -168.6 | 163 | 0 | 110.9 | V1076 V1080 C1090 I1124 | V1076-K1078 WeakPolarHBondContact CG1-O 3.47Å; K1078-V1080 HydrophobicContact CB-CG2 4.3Å; K1078-V1080 HydrophobicContact CD-CG2 3.92Å; K1078-V1080 HydrophobicContact CG-CG2 3.86Å; K1078-C1090 PolarHBondContact O-N 3.49Å; K1078-I1124 HydrophobicContact CB-CG2 3.95Å; K1078-I1124 HydrophobicContact CD-CG2 4.17Å |
| 1079 | V | 93.9 | Very high | 84.9 | Confident | 5 Ų | 5 | 51.9 Ų | 51.9 | 3% | 0.03 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 117.3 | 162.4 | -177.9 | 0 | 0 | 0 | 0 | 108.1 | D1023 V1039 V1076 L1087 L1088 | D1023-V1079 HydrophobicContact CB-CB 4.28Å; D1023-V1079 WeakPolarHBondContact CB-O 3.36Å; D1023-V1079 PolarHBondContact OD2-N 3.26Å; V1039-V1079 HydrophobicContact CG2-CG2 3.9Å; V1076-V1079 HydrophobicContact CG1-CG2 3.91Å; V1079-L1087 HydrophobicContact CG1-CB 4.27Å; V1079-L1087 HydrophobicContact CG1-CD1 4.21Å; V1079-L1088 WeakPolarHBondContact CA-O 3.28Å |
| 1080 | V | 92.2 | Very high | 86.8 | Confident | 19 Ų | 19 | 43.8 Ų | 43.8 | 12% | 0.115 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 124.8 | -178.4 | -176.3 | 0 | 0 | 0 | 0 | 110.1 | K1078 L1082 L1087 L1088 R1126 | K1078-V1080 HydrophobicContact CB-CG2 4.3Å; K1078-V1080 HydrophobicContact CD-CG2 3.92Å; K1078-V1080 HydrophobicContact CG-CG2 3.86Å; V1080-L1082 PolarHBondContact O-N 3.15Å; V1080-L1087 CarbonylContact O-C 3.52Å; V1080-L1087 WeakPolarHBondContact O-CA 3.27Å; V1080-L1088 HydrophobicContact CB-CB 4.46Å; V1080-L1088 PolarHBondContact N-O 2.87Å; V1080-L1088 PolarHBondContact O-N 3.43Å; V1080-R1126 HydrophobicContact CG1-CB 3.69Å; V1080-R1126 HydrophobicContact CG1-CG 3.71Å; V1080-R1126 HydrophobicContact CG2-CB 4.5Å |
| 1081 | Q | 92.5 | Very high | 88.3 | Confident | 32 Ų | 32 | 41.4 Ų | 41.4 | 15% | 0.15 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 124.2 | 168.9 | -176 | 170.4 | 14 | 0 | 0 | 110.1 | I1026 D1083 L1087 R1126 | I1026-Q1081 PolarHBondContact O-NE2 2.79Å; I1026-Q1081 PolarHBondContact O-OE1 3.03Å; Q1081-D1083 WeakPolarHBondContact CG-O 3.16Å; Q1081-D1083 PolarHBondContact NE2-O 3.38Å; Q1081-L1087 HydrophobicContact CB-CD2 3.85Å; Q1081-L1087 HydrophobicContact CG-CD2 3.94Å; Q1081-R1126 PolarHBondContact O-NH1 3.18Å |
| 1082 | L | 89.6 | Confident | 89.9 | Confident | 18 Ų | 18 | 35.4 Ų | 35.4 | 9% | 0.094 | 17% | 0.173 | C | C | . | . | trans | -89.8 | -50.7 | 176.9 | -65.5 | -176.9 | 0 | 0 | 0 | 110.6 | V1080 S1086 L1088 M1097 R1126 F1144 | V1080-L1082 PolarHBondContact O-N 3.15Å; L1082-S1086 WeakPolarHBondContact CB-OG 3.5Å; L1082-S1086 PolarHBondContact N-O 3.08Å; L1082-L1088 HydrophobicContact CD1-CB 4.02Å; L1082-L1088 HydrophobicContact CD2-CB 4.07Å; L1082-L1088 HydrophobicContact CG-CB 3.99Å; L1082-M1097 HydrophobicContact CD1-CE 3.72Å; L1082-M1097 HydrophobicContact CD1-CG 3.95Å; L1082-M1097 HydrophobicContact CD1-SD 4.26Å; L1082-R1126 HydrophobicContact CD2-CG 4.21Å; L1082-R1126 PolarHBondContact O-NH1 3Å; L1082-F1144 HydrophobicContact CD1-CE1 4.29Å; L1082-F1144 HydrophobicContact CD2-CE1 3.71Å; L1082-F1144 HydrophobicContact CD2-CE2 4.39Å; L1082-F1144 HydrophobicContact CD2-CZ 3.56Å | ||
| 1083 | D | 87.4 | Confident | 90.9 | Very high | 71 Ų | 71 | 34.7 Ų | 34.7 | 38% | 0.38 | 17% | 0.172 | S | C | . | . | S | Bend | trans | -143.5 | -167.6 | 177.7 | 73.4 | 67.9 | 0 | 0 | 0 | 112.3 | Q1081 R1085 S1086 | Q1081-D1083 WeakPolarHBondContact CG-O 3.16Å; Q1081-D1083 PolarHBondContact NE2-O 3.38Å; D1083-R1085 PolarHBondContact O-N 3.35Å; D1083-R1085 WeakPolarHBondContact OD1-CA 3.31Å; D1083-R1085 PolarHBondContact OD1-N 2.89Å; D1083-S1086 PolarHBondContact N-O 3.14Å; D1083-S1086 PolarHBondContact OD1-N 2.95Å; D1083-S1086 WeakPolarHBondContact OD2-CB 3.36Å; D1083-S1086 PolarHBondContact OD2-OG 3.07Å |
| 1084 | T | 88.5 | Confident | 91.5 | Very high | 56 Ų | 56 | 34.1 Ų | 34.1 | 34% | 0.344 | 17% | 0.17 | S | C | . | . | S | Bend | trans | -64.1 | -13.3 | 178.9 | 57.6 | 0 | 0 | 0 | 0 | 116.4 | F978 P1028 | F978-T1084 HydrophobicContact CE1-CG2 3.91Å; F978-T1084 HydrophobicContact CE2-CG2 4.33Å; F978-T1084 HydrophobicContact CZ-CG2 3.44Å; F978-T1084 VanDerWaalsContact CZ-CG2 3.44Å; P1028-T1084 HydrophobicContact CG-CG2 3.71Å |
| 1085 | R | 88.4 | Confident | 91.7 | Very high | 170 Ų | 170 | 31.9 Ų | 31.9 | 64% | 0.642 | 16% | 0.158 | S | C | * | . | S | Bend | trans | -132 | -20.4 | -171.8 | -63 | 178.7 | -179.3 | -170.5 | -2 | 113.4 | D1083 N1099 M1100 | D1083-R1085 PolarHBondContact O-N 3.35Å; D1083-R1085 WeakPolarHBondContact OD1-CA 3.31Å; D1083-R1085 PolarHBondContact OD1-N 2.89Å; R1085-N1099 CarbonylContact O-C 3.57Å; R1085-N1099 VanDerWaalsContact O-CA 3.26Å; R1085-N1099 WeakPolarHBondContact O-CA 3.38Å; R1085-M1100 VanDerWaalsContact C-SD 3.58Å; R1085-M1100 WeakPolarHBondContact O-CG 3.41Å; R1085-M1100 PolarHBondContact O-N 3.45Å; R1085-M1100 VanDerWaalsContact O-N 3.08Å |
| 1086 | S | 92.2 | Very high | 92 | Very high | 4 Ų | 4 | 26.8 Ų | 26.8 | 3% | 0.028 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 145.3 | -176.5 | 79.6 | 0 | 0 | 0 | 0 | 114.7 | L1082 D1083 V1098 | L1082-S1086 WeakPolarHBondContact CB-OG 3.5Å; L1082-S1086 PolarHBondContact N-O 3.08Å; D1083-S1086 PolarHBondContact N-O 3.14Å; D1083-S1086 PolarHBondContact OD1-N 2.95Å; D1083-S1086 WeakPolarHBondContact OD2-CB 3.36Å; D1083-S1086 PolarHBondContact OD2-OG 3.07Å; S1086-V1098 CarbonylContact C-O 3.56Å; S1086-V1098 VanDerWaalsContact CA-O 3.3Å; S1086-V1098 WeakPolarHBondContact CA-O 3.43Å |
| 1087 | L | 94.3 | Very high | 92.1 | Very high | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.005 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 145.8 | 176.6 | -47.1 | 173.6 | 0 | 0 | 0 | 109.2 | I1025 L1050 V1079 V1080 Q1081 M1097 V1098 M1100 | I1025-L1087 HydrophobicContact CD1-CD1 3.87Å; I1025-L1087 HydrophobicContact CD1-CD2 4.12Å; I1025-L1087 HydrophobicContact CG1-CD2 4.3Å; I1025-L1087 HydrophobicContact CG2-CD2 4.15Å; L1050-L1087 HydrophobicContact CD1-CD1 3.7Å; V1079-L1087 HydrophobicContact CG1-CB 4.27Å; V1079-L1087 HydrophobicContact CG1-CD1 4.21Å; V1080-L1087 CarbonylContact O-C 3.52Å; V1080-L1087 WeakPolarHBondContact O-CA 3.27Å; Q1081-L1087 HydrophobicContact CB-CD2 3.85Å; Q1081-L1087 HydrophobicContact CG-CD2 3.94Å; L1087-M1097 CarbonylContact O-C 3.5Å; L1087-M1097 WeakPolarHBondContact O-CA 3.49Å; L1087-V1098 HydrophobicContact CB-CG2 3.89Å; L1087-V1098 HydrophobicContact CD1-CG2 4.44Å; L1087-V1098 PolarHBondContact N-O 2.86Å; L1087-V1098 PolarHBondContact O-N 2.8Å; L1087-M1100 HydrophobicContact CD2-CE 4.29Å; L1087-M1100 HydrophobicContact CD2-SD 3.94Å; L1087-M1100 HydrophobicContact CG-SD 4.1Å |
| 1088 | L | 94.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 120.8 | 167.8 | -169.5 | 72.6 | 0 | 0 | 0 | 109.3 | V1079 V1080 L1082 A1095 M1097 F1115 I1124 V1131 F1144 | V1079-L1088 WeakPolarHBondContact CA-O 3.28Å; V1080-L1088 HydrophobicContact CB-CB 4.46Å; V1080-L1088 PolarHBondContact N-O 2.87Å; V1080-L1088 PolarHBondContact O-N 3.43Å; L1082-L1088 HydrophobicContact CD1-CB 4.02Å; L1082-L1088 HydrophobicContact CD2-CB 4.07Å; L1082-L1088 HydrophobicContact CG-CB 3.99Å; L1088-A1095 HydrophobicContact CD1-CB 3.95Å; L1088-A1095 HydrophobicContact CD2-CB 4.31Å; L1088-A1095 HydrophobicContact CG-CB 4.13Å; L1088-M1097 HydrophobicContact CD1-CG 3.58Å; L1088-F1115 HydrophobicContact CD1-CE1 4Å; L1088-F1115 HydrophobicContact CD1-CZ 4.08Å; L1088-F1115 HydrophobicContact CD2-CZ 4.42Å; L1088-I1124 HydrophobicContact CD2-CD1 4.44Å; L1088-V1131 HydrophobicContact CD2-CG1 3.75Å; L1088-F1144 HydrophobicContact CD2-CE1 4.5Å |
| 1089 | I | 94.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 121 | 169.8 | -50.6 | 177.6 | 0 | 0 | 0 | 107.6 | V1039 Y1048 L1050 V1076 F1091 A1095 T1096 V1098 | V1039-I1089 HydrophobicContact CG1-CD1 4.21Å; V1039-I1089 HydrophobicContact CG2-CD1 4.45Å; V1039-I1089 HydrophobicContact CG2-CG2 4.26Å; Y1048-I1089 HydrophobicContact CD2-CD1 4.02Å; Y1048-I1089 HydrophobicContact CG-CD1 4Å; L1050-I1089 HydrophobicContact CD2-CD1 3.91Å; V1076-I1089 HydrophobicContact CB-CG2 4.4Å; V1076-I1089 HydrophobicContact CG1-CG2 3.82Å; V1076-I1089 HydrophobicContact CG2-CG2 3.59Å; I1089-F1091 HydrophobicContact CB-CE2 4.13Å; I1089-F1091 HydrophobicContact CB-CZ 4.43Å; I1089-F1091 HydrophobicContact CG2-CD2 4.28Å; I1089-F1091 HydrophobicContact CG2-CE1 4.16Å; I1089-F1091 HydrophobicContact CG2-CE2 3.6Å; I1089-F1091 HydrophobicContact CG2-CZ 3.52Å; I1089-A1095 CarbonylContact O-C 3.52Å; I1089-A1095 WeakPolarHBondContact O-CA 3.49Å; I1089-T1096 HydrophobicContact CB-CG2 4.25Å; I1089-T1096 PolarHBondContact N-O 2.79Å; I1089-T1096 PolarHBondContact O-N 3.07Å; I1089-V1098 HydrophobicContact CD1-CB 4.45Å; I1089-V1098 HydrophobicContact CD1-CG1 3.7Å; I1089-V1098 HydrophobicContact CD1-CG2 3.86Å; I1089-V1098 HydrophobicContact CG1-CG1 4.29Å; I1089-V1098 HydrophobicContact CG1-CG2 3.95Å |
| 1090 | C | 93.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 118.1 | -176.9 | -51.1 | 0 | 0 | 0 | 0 | 109.9 | V1076 I1077 K1078 A1095 I1124 | V1076-C1090 CarbonylContact C-O 3.56Å; V1076-C1090 WeakPolarHBondContact CA-O 3.48Å; I1077-C1090 HydrophobicContact CB-CB 4.29Å; I1077-C1090 WeakPolarHBondContact CB-O 3.4Å; I1077-C1090 HydrophobicContact CD1-CB 4.44Å; I1077-C1090 PolarHBondContact N-O 2.93Å; K1078-C1090 PolarHBondContact O-N 3.49Å; C1090-A1095 HydrophobicContact CB-CB 4.47Å; C1090-I1124 HydrophobicContact CB-CD1 4.22Å; C1090-I1124 HydrophobicContact CB-CG2 4.26Å; C1090-I1124 VanDerWaalsContact SG-CD1 3.53Å |
| 1091 | F | 93.6 | Very high | 92.2 | Very high | 14 Ų | 14 | 34 Ų | 34 | 6% | 0.061 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 161.1 | 174 | -56.4 | -87.9 | 0 | 0 | 0 | 109.9 | Y1048 L1074 V1076 I1077 I1089 T1093 H1094 T1096 F1117 | Y1048-F1091 HydrophobicContact CD1-CZ 4.1Å; Y1048-F1091 HydrophobicContact CE1-CE1 4.46Å; Y1048-F1091 HydrophobicContact CE1-CE2 4.18Å; Y1048-F1091 AromaticContact CE1-CZ 3.56Å; Y1048-F1091 HydrophobicContact CE1-CZ 3.56Å; Y1048-F1091 AromaticContact CZ-CZ 3.94Å; L1074-F1091 HydrophobicContact CB-CE1 3.91Å; L1074-F1091 HydrophobicContact CD1-CE1 3.78Å; L1074-F1091 HydrophobicContact CD1-CZ 4.13Å; L1074-F1091 HydrophobicContact CG-CE1 4.47Å; V1076-F1091 HydrophobicContact CG2-CD1 3.78Å; V1076-F1091 HydrophobicContact CG2-CE1 3.41Å; V1076-F1091 VanDerWaalsContact CG2-CE1 3.41Å; V1076-F1091 HydrophobicContact CG2-CZ 4.06Å; I1077-F1091 WeakPolarHBondContact CD1-O 3.22Å; I1089-F1091 HydrophobicContact CB-CE2 4.13Å; I1089-F1091 HydrophobicContact CB-CZ 4.43Å; I1089-F1091 HydrophobicContact CG2-CD2 4.28Å; I1089-F1091 HydrophobicContact CG2-CE1 4.16Å; I1089-F1091 HydrophobicContact CG2-CE2 3.6Å; I1089-F1091 HydrophobicContact CG2-CZ 3.52Å; F1091-T1093 PolarHBondContact O-N 3.32Å; F1091-H1094 CarbonylContact C-O 3.58Å; F1091-H1094 WeakPolarHBondContact CA-O 3.37Å; F1091-H1094 WeakPolarHBondContact CB-O 3.26Å; F1091-H1094 AromaticContact CD2-CD2 3.67Å; F1091-H1094 AromaticContact CD2-CE1 3.58Å; F1091-H1094 AromaticContact CD2-NE2 3.28Å; F1091-H1094 VanDerWaalsContact CD2-NE2 3.28Å; F1091-H1094 WeakPolarHBondContact CD2-NE2 3.38Å; F1091-H1094 AromaticContact CE2-NE2 3.68Å; F1091-H1094 AromaticContact CG-CE1 3.79Å; F1091-H1094 AromaticContact CG-NE2 3.97Å; F1091-H1094 PolarHBondContact N-O 3.21Å; F1091-H1094 PolarHBondContact O-N 2.68Å; F1091-T1096 HydrophobicContact CE2-CG2 3.91Å; F1091-F1117 VanDerWaalsContact O-CE2 3.29Å; F1091-F1117 WeakPolarHBondContact O-CE2 3.39Å |
| 1092 | P | 93.3 | Very high | 92.2 | Very high | 20 Ų | 20 | 32.4 Ų | 32.4 | 13% | 0.13 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -23.1 | 177.8 | -28.6 | 35.1 | 0 | 0 | 0 | 115.7 | Q1075 I1077 T1120 V1121 | Q1075-P1092 HydrophobicContact CG-CG 4.14Å; Q1075-P1092 WeakPolarHBondContact O-CD 3.48Å; I1077-P1092 HydrophobicContact CG1-CG 4.43Å; P1092-T1120 HydrophobicContact CB-CG2 3.86Å; P1092-T1120 WeakPolarHBondContact O-CA 3.44Å; P1092-V1121 PolarHBondContact O-N 3.11Å |
| 1093 | T | 92.6 | Very high | 92.5 | Very high | 82 Ų | 82 | 39.2 Ų | 39.2 | 50% | 0.503 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -116.5 | -6.3 | -174.7 | 58.8 | 0 | 0 | 0 | 0 | 115.1 | F1091 F1117 | F1091-T1093 PolarHBondContact O-N 3.32Å; T1093-F1117 PolarHBondContact O-N 3.04Å |
| 1094 | H | 91.8 | Very high | 92.8 | Very high | 23 Ų | 23 | 36.5 Ų | 36.5 | 11% | 0.106 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -172.4 | 159.1 | -178.8 | 61.5 | -75.5 | 0 | 0 | 0 | 110.9 | F1091 K1114 F1115 F1117 | F1091-H1094 CarbonylContact C-O 3.58Å; F1091-H1094 WeakPolarHBondContact CA-O 3.37Å; F1091-H1094 WeakPolarHBondContact CB-O 3.26Å; F1091-H1094 AromaticContact CD2-CD2 3.67Å; F1091-H1094 AromaticContact CD2-CE1 3.58Å; F1091-H1094 AromaticContact CD2-NE2 3.28Å; F1091-H1094 VanDerWaalsContact CD2-NE2 3.28Å; F1091-H1094 WeakPolarHBondContact CD2-NE2 3.38Å; F1091-H1094 AromaticContact CE2-NE2 3.68Å; F1091-H1094 AromaticContact CG-CE1 3.79Å; F1091-H1094 AromaticContact CG-NE2 3.97Å; F1091-H1094 PolarHBondContact N-O 3.21Å; F1091-H1094 PolarHBondContact O-N 2.68Å; H1094-K1114 WeakPolarHBondContact CD2-CE 3.45Å; H1094-K1114 PolarHBondContact CD2-NZ 3Å; H1094-K1114 PolarHBondContact CE1-NZ 3.01Å; H1094-K1114 PolarHBondContact NE2-NZ 3.5Å; H1094-F1115 VanDerWaalsContact CA-O 3.29Å; H1094-F1115 WeakPolarHBondContact CA-O 3.41Å; H1094-F1115 VanDerWaalsContact CB-O 3.29Å; H1094-F1115 WeakPolarHBondContact CB-O 3.32Å; H1094-F1117 VanDerWaalsContact C-CE2 3.43Å; H1094-F1117 VanDerWaalsContact N-CD2 3.26Å |
| 1095 | A | 92.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 155.2 | 160.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | L1088 I1089 C1090 K1114 F1115 F1117 | L1088-A1095 HydrophobicContact CD1-CB 3.95Å; L1088-A1095 HydrophobicContact CD2-CB 4.31Å; L1088-A1095 HydrophobicContact CG-CB 4.13Å; I1089-A1095 CarbonylContact O-C 3.52Å; I1089-A1095 WeakPolarHBondContact O-CA 3.49Å; C1090-A1095 HydrophobicContact CB-CB 4.47Å; A1095-K1114 WeakPolarHBondContact O-CA 3.3Å; A1095-F1115 HydrophobicContact CB-CD2 4.34Å; A1095-F1115 HydrophobicContact CB-CE1 4.23Å; A1095-F1115 HydrophobicContact CB-CE2 3.77Å; A1095-F1115 HydrophobicContact CB-CZ 3.7Å; A1095-F1115 PolarHBondContact N-O 3.05Å; A1095-F1115 PolarHBondContact O-N 3.36Å; A1095-F1117 HydrophobicContact CB-CE1 4.46Å; A1095-F1117 HydrophobicContact CB-CE2 4.38Å; A1095-F1117 HydrophobicContact CB-CZ 3.75Å |
| 1096 | T | 93.4 | Very high | 92.8 | Very high | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.006 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 139.4 | 177.4 | -168 | 0 | 0 | 0 | 0 | 111.4 | Y1048 I1089 F1091 V1104 A1113 | Y1048-T1096 HydrophobicContact CD2-CG2 4.5Å; Y1048-T1096 HydrophobicContact CE2-CG2 3.73Å; I1089-T1096 HydrophobicContact CB-CG2 4.25Å; I1089-T1096 PolarHBondContact N-O 2.79Å; I1089-T1096 PolarHBondContact O-N 3.07Å; F1091-T1096 HydrophobicContact CE2-CG2 3.91Å; T1096-V1104 WeakPolarHBondContact OG1-CG1 3.5Å; T1096-A1113 CarbonylContact C-O 3.45Å; T1096-A1113 VanDerWaalsContact CA-O 3.24Å; T1096-A1113 WeakPolarHBondContact CA-O 3.45Å; T1096-A1113 PolarHBondContact OG1-O 2.86Å |
| 1097 | M | 93.5 | Very high | 92 | Very high | 6 Ų | 6 | 34.5 Ų | 34.5 | 3% | 0.03 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 132 | 177.9 | -59.8 | 166.4 | 61.8 | 0 | 0 | 110.1 | Y425 L1082 L1087 L1088 V1104 L1105 A1113 | Y425-M1097 HydrophobicContact CE2-CE 3.81Å; Y425-M1097 WeakPolarHBondContact OH-CE 3.36Å; L1082-M1097 HydrophobicContact CD1-CE 3.72Å; L1082-M1097 HydrophobicContact CD1-CG 3.95Å; L1082-M1097 HydrophobicContact CD1-SD 4.26Å; L1087-M1097 CarbonylContact O-C 3.5Å; L1087-M1097 WeakPolarHBondContact O-CA 3.49Å; L1088-M1097 HydrophobicContact CD1-CG 3.58Å; M1097-V1104 WeakPolarHBondContact O-CA 3.42Å; M1097-L1105 HydrophobicContact CB-CB 4.43Å; M1097-L1105 HydrophobicContact CB-CD1 4.11Å; M1097-L1105 HydrophobicContact CB-CG 4.43Å; M1097-L1105 HydrophobicContact CE-CD1 4.15Å; M1097-L1105 PolarHBondContact O-N 3.28Å; M1097-A1113 HydrophobicContact CB-CB 3.88Å; M1097-A1113 HydrophobicContact CG-CB 4.31Å; M1097-A1113 PolarHBondContact N-O 3.31Å; M1097-A1113 HydrophobicContact SD-CB 4.07Å |
| 1098 | V | 94.8 | Very high | 91 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 161.2 | 175.7 | -60.5 | 0 | 0 | 0 | 0 | 110.6 | Y1048 S1086 L1087 I1089 R1103 V1104 | Y1048-V1098 HydrophobicContact CD2-CG1 3.9Å; S1086-V1098 CarbonylContact C-O 3.56Å; S1086-V1098 VanDerWaalsContact CA-O 3.3Å; S1086-V1098 WeakPolarHBondContact CA-O 3.43Å; L1087-V1098 HydrophobicContact CB-CG2 3.89Å; L1087-V1098 HydrophobicContact CD1-CG2 4.44Å; L1087-V1098 PolarHBondContact N-O 2.86Å; L1087-V1098 PolarHBondContact O-N 2.8Å; I1089-V1098 HydrophobicContact CD1-CB 4.45Å; I1089-V1098 HydrophobicContact CD1-CG1 3.7Å; I1089-V1098 HydrophobicContact CD1-CG2 3.86Å; I1089-V1098 HydrophobicContact CG1-CG1 4.29Å; I1089-V1098 HydrophobicContact CG1-CG2 3.95Å; V1098-R1103 CarbonylContact C-O 3.58Å; V1098-R1103 WeakPolarHBondContact CA-O 3.28Å; V1098-R1103 WeakPolarHBondContact CB-O 3.43Å; V1098-V1104 HydrophobicContact CG1-CG2 4.12Å |
| 1099 | N | 93.5 | Very high | 90.1 | Very high | 47 Ų | 47 | 46.7 Ų | 46.7 | 25% | 0.251 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 172.9 | 161.3 | 68.9 | 23 | 0 | 0 | 0 | 111.6 | R1085 N1101 G1102 R1103 L1105 | R1085-N1099 CarbonylContact O-C 3.57Å; R1085-N1099 VanDerWaalsContact O-CA 3.26Å; R1085-N1099 WeakPolarHBondContact O-CA 3.38Å; N1099-N1101 PolarHBondContact O-N 3.33Å; N1099-N1101 WeakPolarHBondContact OD1-CA 3.49Å; N1099-N1101 WeakPolarHBondContact OD1-CB 3.35Å; N1099-N1101 PolarHBondContact OD1-N 3.33Å; N1099-G1102 PolarHBondContact O-N 3.11Å; N1099-G1102 PolarHBondContact OD1-N 2.9Å; N1099-R1103 PolarHBondContact N-O 2.96Å; N1099-R1103 PolarHBondContact OD1-N 2.9Å; N1099-R1103 VanDerWaalsContact OD1-N 3.11Å; N1099-L1105 HydrophobicContact CB-CD2 3.98Å |
| 1100 | M | 90.5 | Very high | 89.1 | Confident | 38 Ų | 38 | 49.1 Ų | 49.1 | 19% | 0.187 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -19.6 | 177.8 | -51.7 | -55.5 | -71.1 | 0 | 0 | 115.1 | I1025 N1027 R1085 L1087 | I1025-M1100 HydrophobicContact CG2-CE 3.48Å; I1025-M1100 VanDerWaalsContact CG2-CE 3.48Å; N1027-M1100 VanDerWaalsContact OD1-CE 3.28Å; N1027-M1100 WeakPolarHBondContact OD1-CE 3.18Å; R1085-M1100 VanDerWaalsContact C-SD 3.58Å; R1085-M1100 WeakPolarHBondContact O-CG 3.41Å; R1085-M1100 PolarHBondContact O-N 3.45Å; R1085-M1100 VanDerWaalsContact O-N 3.08Å; L1087-M1100 HydrophobicContact CD2-CE 4.29Å; L1087-M1100 HydrophobicContact CD2-SD 3.94Å; L1087-M1100 HydrophobicContact CG-SD 4.1Å |
| 1101 | N | 92.1 | Very high | 88.3 | Confident | 130 Ų | 130 | 57.6 Ų | 57.6 | 70% | 0.695 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.8 | 9.8 | 177.8 | -59.4 | -18 | 0 | 0 | 0 | 112.5 | N1099 R1103 | N1099-N1101 PolarHBondContact O-N 3.33Å; N1099-N1101 WeakPolarHBondContact OD1-CA 3.49Å; N1099-N1101 WeakPolarHBondContact OD1-CB 3.35Å; N1099-N1101 PolarHBondContact OD1-N 3.33Å; N1101-R1103 VanDerWaalsContact C-N 3.28Å; N1101-R1103 PolarHBondContact O-N 3.31Å |
| 1102 | G | 92.8 | Very high | 87.6 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 31% | 0.31 | C | S | . | . | S | Bend | trans | 75.9 | 4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y1048 N1099 | Y1048-G1102 PolarHBondContact N-O 3.41Å; Y1048-G1102 WeakPolarHBondContact O-CA 3.46Å; N1099-G1102 PolarHBondContact O-N 3.11Å; N1099-G1102 PolarHBondContact OD1-N 2.9Å |
| 1103 | R | 94.4 | Very high | 87.1 | Confident | 160 Ų | 160 | 61.3 Ų | 61.3 | 60% | 0.604 | 31% | 0.314 | S | S | * | . | B | Isolated β-bridge | trans | -75.3 | 130.1 | 173.2 | -54.6 | -159.3 | 167 | 159.9 | -5.3 | 110.2 | L1046 V1047 V1098 N1099 N1101 | L1046-R1103 CarbonylContact O-C 3.46Å; L1046-R1103 WeakPolarHBondContact O-CA 3.45Å; V1047-R1103 HydrophobicContact CG1-CG 4.27Å; V1047-R1103 HydrophobicContact CG2-CB 4.41Å; V1047-R1103 HydrophobicContact CG2-CG 3.87Å; V1098-R1103 CarbonylContact C-O 3.58Å; V1098-R1103 WeakPolarHBondContact CA-O 3.28Å; V1098-R1103 WeakPolarHBondContact CB-O 3.43Å; N1099-R1103 PolarHBondContact N-O 2.96Å; N1099-R1103 PolarHBondContact OD1-N 2.9Å; N1099-R1103 VanDerWaalsContact OD1-N 3.11Å; N1101-R1103 VanDerWaalsContact C-N 3.28Å; N1101-R1103 PolarHBondContact O-N 3.31Å |
| 1104 | V | 93.2 | Very high | 86.8 | Confident | 15 Ų | 15 | 62.3 Ų | 62.3 | 9% | 0.091 | 31% | 0.311 | C | S | . | . | B | Isolated β-bridge | trans | -62.3 | 136.5 | 178.3 | -175.3 | 0 | 0 | 0 | 0 | 110.3 | L1046 Y1048 T1096 M1097 V1098 I1112 | L1046-V1104 PolarHBondContact O-N 3.38Å; Y1048-V1104 HydrophobicContact CD2-CG2 3.87Å; Y1048-V1104 HydrophobicContact CE2-CG2 3.55Å; T1096-V1104 WeakPolarHBondContact OG1-CG1 3.5Å; M1097-V1104 WeakPolarHBondContact O-CA 3.42Å; V1098-V1104 HydrophobicContact CG1-CG2 4.12Å; V1104-I1112 HydrophobicContact CG1-CG2 3.43Å; V1104-I1112 VanDerWaalsContact CG1-CG2 3.43Å |
| 1105 | L | 91.9 | Very high | 86.5 | Confident | 53 Ų | 53 | 61.8 Ų | 61.8 | 28% | 0.277 | 31% | 0.309 | S | S | . | . | P | Polyproline II helix | trans | -75.6 | 142.9 | 176.6 | -61.3 | -176.7 | 0 | 0 | 0 | 110.3 | M1097 N1099 A1113 | M1097-L1105 HydrophobicContact CB-CB 4.43Å; M1097-L1105 HydrophobicContact CB-CD1 4.11Å; M1097-L1105 HydrophobicContact CB-CG 4.43Å; M1097-L1105 HydrophobicContact CE-CD1 4.15Å; M1097-L1105 PolarHBondContact O-N 3.28Å; N1099-L1105 HydrophobicContact CB-CD2 3.98Å; L1105-A1113 HydrophobicContact CB-CB 4.05Å; L1105-A1113 VanDerWaalsContact O-CB 3.27Å; L1105-A1113 WeakPolarHBondContact O-CB 3.22Å; L1105-A1113 PolarHBondContact O-N 2.78Å |
| 1106 | V | 85.7 | Confident | 86.3 | Confident | 77 Ų | 77 | 66 Ų | 66 | 47% | 0.467 | 34% | 0.336 | S | S | . | . | B | Isolated β-bridge | trans | -128.4 | 128.8 | 178.9 | -175.8 | 0 | 0 | 0 | 0 | 107.5 | R1111 | V1106-R1111 CarbonylContact C-O 3.55Å; V1106-R1111 WeakPolarHBondContact CA-O 3.35Å |
| 1107 | S | 76 | Confident | 86.1 | Confident | 57 Ų | 57 | 66.8 Ų | 66.8 | 40% | 0.399 | 34% | 0.339 | S | S | . | . | trans | -73.8 | 166.7 | 177.4 | 52.2 | 0 | 0 | 0 | 0 | 111.6 | D1109 G1110 R1111 | S1107-D1109 WeakPolarHBondContact CB-OD1 3.46Å; S1107-D1109 PolarHBondContact O-N 2.97Å; S1107-D1109 PolarHBondContact OG-OD1 2.56Å; S1107-G1110 PolarHBondContact O-N 3.19Å; S1107-R1111 PolarHBondContact N-O 2.65Å; S1107-R1111 WeakPolarHBondContact OG-CB 3.36Å; S1107-R1111 PolarHBondContact OG-O 3Å | ||
| 1108 | R | 73.4 | Confident | 85.6 | Confident | 161 Ų | 161 | 72.6 Ų | 72.6 | 61% | 0.608 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -24.6 | -175 | -52.3 | -172 | -163.3 | -143.3 | 13.1 | 114.3 | D422 N424 G1110 | D422-R1108 IonicContact OD1-CZ 2.74Å; D422-R1108 IonicContact OD1-NH1 3.55Å; D422-R1108 PolarHBondContact OD1-NH1 2.74Å; D422-R1108 IonicContact OD1-NH2 3.4Å; D422-R1108 IonicContact OD2-CZ 3.33Å; D422-R1108 IonicContact OD2-NH1 3.5Å; D422-R1108 PolarHBondContact OD2-NH1 3.45Å; D422-R1108 IonicContact OD2-NH2 3.67Å; D422-R1108 PolarHBondContact OD2-NH2 2.95Å; N424-R1108 PolarHBondContact OD1-NH2 3.43Å; R1108-G1110 VanDerWaalsContact C-N 3.32Å |
| 1109 | D | 75 | Confident | 85.2 | Confident | 97 Ų | 97 | 74.9 Ų | 74.9 | 52% | 0.519 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | 11.4 | 177.7 | 68.8 | -30.1 | 0 | 0 | 0 | 113.4 | S1107 R1111 | S1107-D1109 WeakPolarHBondContact CB-OD1 3.46Å; S1107-D1109 PolarHBondContact O-N 2.97Å; S1107-D1109 PolarHBondContact OG-OD1 2.56Å; D1109-R1111 VanDerWaalsContact C-N 3.34Å; D1109-R1111 PolarHBondContact O-N 3.39Å; D1109-R1111 WeakPolarHBondContact OD2-CD 3.29Å; D1109-R1111 WeakPolarHBondContact OD2-CG 3.46Å; D1109-R1111 IonicContact OD2-CZ 3.91Å; D1109-R1111 IonicContact OD2-NE 3.99Å; D1109-R1111 PolarHBondContact OD2-NE 3.47Å; D1109-R1111 IonicContact OD2-NH2 3.02Å; D1109-R1111 PolarHBondContact OD2-NH2 2.86Å |
| 1110 | G | 73.3 | Confident | 85.2 | Confident | 51 Ų | 51 | 76.7 Ų | 76.7 | 53% | 0.526 | 40% | 0.398 | S | S | . | . | S | Bend | trans | 81.9 | 2.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | S1107 R1108 I1112 | S1107-G1110 PolarHBondContact O-N 3.19Å; R1108-G1110 VanDerWaalsContact C-N 3.32Å; G1110-I1112 PolarHBondContact O-N 3.39Å |
| 1111 | R | 77.4 | Confident | 85.2 | Confident | 177 Ų | 177 | 75.1 Ų | 75.1 | 67% | 0.668 | 39% | 0.39 | S | S | * | . | trans | -73.2 | 130.3 | 176.6 | -57.1 | -178.4 | -159.8 | -166.2 | 2 | 110.5 | V1106 S1107 D1109 | V1106-R1111 CarbonylContact C-O 3.55Å; V1106-R1111 WeakPolarHBondContact CA-O 3.35Å; S1107-R1111 PolarHBondContact N-O 2.65Å; S1107-R1111 WeakPolarHBondContact OG-CB 3.36Å; S1107-R1111 PolarHBondContact OG-O 3Å; D1109-R1111 VanDerWaalsContact C-N 3.34Å; D1109-R1111 PolarHBondContact O-N 3.39Å; D1109-R1111 WeakPolarHBondContact OD2-CD 3.29Å; D1109-R1111 WeakPolarHBondContact OD2-CG 3.46Å; D1109-R1111 IonicContact OD2-CZ 3.91Å; D1109-R1111 IonicContact OD2-NE 3.99Å; D1109-R1111 PolarHBondContact OD2-NE 3.47Å; D1109-R1111 IonicContact OD2-NH2 3.02Å; D1109-R1111 PolarHBondContact OD2-NH2 2.86Å | ||
| 1112 | I | 78.6 | Confident | 85.2 | Confident | 87 Ų | 87 | 72.1 Ų | 72.1 | 45% | 0.446 | 37% | 0.374 | S | S | . | . | B | Isolated β-bridge | trans | -68.4 | 131.3 | 171.2 | -58.8 | 175.3 | 0 | 0 | 0 | 107.7 | L1046 V1104 G1110 K1114 | L1046-I1112 HydrophobicContact CD2-CD1 3.8Å; L1046-I1112 HydrophobicContact CD2-CG1 4.33Å; V1104-I1112 HydrophobicContact CG1-CG2 3.43Å; V1104-I1112 VanDerWaalsContact CG1-CG2 3.43Å; G1110-I1112 PolarHBondContact O-N 3.39Å; I1112-K1114 HydrophobicContact CG2-CB 3.99Å; I1112-K1114 PolarHBondContact O-N 3.17Å |
| 1113 | A | 82.9 | Confident | 85.1 | Confident | 25 Ų | 25 | 72.6 Ų | 72.6 | 21% | 0.207 | 38% | 0.377 | C | S | . | . | S | Bend | trans | -73.9 | 71.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | T1096 M1097 L1105 | T1096-A1113 CarbonylContact C-O 3.45Å; T1096-A1113 VanDerWaalsContact CA-O 3.24Å; T1096-A1113 WeakPolarHBondContact CA-O 3.45Å; T1096-A1113 PolarHBondContact OG1-O 2.86Å; M1097-A1113 HydrophobicContact CB-CB 3.88Å; M1097-A1113 HydrophobicContact CG-CB 4.31Å; M1097-A1113 PolarHBondContact N-O 3.31Å; M1097-A1113 HydrophobicContact SD-CB 4.07Å; L1105-A1113 HydrophobicContact CB-CB 4.05Å; L1105-A1113 VanDerWaalsContact O-CB 3.27Å; L1105-A1113 WeakPolarHBondContact O-CB 3.22Å; L1105-A1113 PolarHBondContact O-N 2.78Å |
| 1114 | K | 86.5 | Confident | 85 | Confident | 103 Ų | 103 | 65 Ų | 65 | 45% | 0.448 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 121.8 | 179.5 | 169.7 | 164.5 | 166.9 | 155.2 | 0 | 108.8 | H1094 A1095 I1112 | H1094-K1114 WeakPolarHBondContact CD2-CE 3.45Å; H1094-K1114 PolarHBondContact CD2-NZ 3Å; H1094-K1114 PolarHBondContact CE1-NZ 3.01Å; H1094-K1114 PolarHBondContact NE2-NZ 3.5Å; A1095-K1114 WeakPolarHBondContact O-CA 3.3Å; I1112-K1114 HydrophobicContact CG2-CB 3.99Å; I1112-K1114 PolarHBondContact O-N 3.17Å |
| 1115 | F | 86.2 | Confident | 84.9 | Confident | 13 Ų | 13 | 64.9 Ų | 64.9 | 6% | 0.057 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 129.4 | 176.1 | 49.1 | -86 | 0 | 0 | 0 | 109.8 | L1088 H1094 A1095 F1117 V1131 I1142 | L1088-F1115 HydrophobicContact CD1-CE1 4Å; L1088-F1115 HydrophobicContact CD1-CZ 4.08Å; L1088-F1115 HydrophobicContact CD2-CZ 4.42Å; H1094-F1115 VanDerWaalsContact CA-O 3.29Å; H1094-F1115 WeakPolarHBondContact CA-O 3.41Å; H1094-F1115 VanDerWaalsContact CB-O 3.29Å; H1094-F1115 WeakPolarHBondContact CB-O 3.32Å; A1095-F1115 HydrophobicContact CB-CD2 4.34Å; A1095-F1115 HydrophobicContact CB-CE1 4.23Å; A1095-F1115 HydrophobicContact CB-CE2 3.77Å; A1095-F1115 HydrophobicContact CB-CZ 3.7Å; A1095-F1115 PolarHBondContact N-O 3.05Å; A1095-F1115 PolarHBondContact O-N 3.36Å; F1115-F1117 AromaticContact CD2-CE1 3.94Å; F1115-F1117 HydrophobicContact CD2-CE1 3.94Å; F1115-F1117 AromaticContact CE2-CE1 3.83Å; F1115-F1117 HydrophobicContact CE2-CE1 3.83Å; F1115-F1117 HydrophobicContact CE2-CZ 4.34Å; F1115-V1131 HydrophobicContact CE2-CG2 4.02Å; F1115-V1131 HydrophobicContact CZ-CG2 4.08Å; F1115-I1142 HydrophobicContact CD2-CG2 3.93Å; F1115-I1142 HydrophobicContact CE2-CB 4.45Å; F1115-I1142 HydrophobicContact CE2-CG2 4.1Å |
| 1116 | P | 87.9 | Confident | 84.7 | Confident | 88 Ų | 88 | 66.3 Ų | 66.3 | 57% | 0.571 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72 | 163.1 | 177.4 | 32.8 | -35.5 | 0 | 0 | 0 | 111.5 | ||
| 1117 | F | 88.2 | Confident | 84.7 | Confident | 17 Ų | 17 | 62.8 Ų | 62.8 | 8% | 0.075 | 33% | 0.328 | C | S | . | . | trans | -111.9 | 130.8 | 163.2 | -54.7 | -45.1 | 0 | 0 | 0 | 108.2 | F1091 T1093 H1094 A1095 F1115 T1119 V1121 I1124 A1133 I1142 | F1091-F1117 VanDerWaalsContact O-CE2 3.29Å; F1091-F1117 WeakPolarHBondContact O-CE2 3.39Å; T1093-F1117 PolarHBondContact O-N 3.04Å; H1094-F1117 VanDerWaalsContact C-CE2 3.43Å; H1094-F1117 VanDerWaalsContact N-CD2 3.26Å; A1095-F1117 HydrophobicContact CB-CE1 4.46Å; A1095-F1117 HydrophobicContact CB-CE2 4.38Å; A1095-F1117 HydrophobicContact CB-CZ 3.75Å; F1115-F1117 AromaticContact CD2-CE1 3.94Å; F1115-F1117 HydrophobicContact CD2-CE1 3.94Å; F1115-F1117 AromaticContact CE2-CE1 3.83Å; F1115-F1117 HydrophobicContact CE2-CE1 3.83Å; F1115-F1117 HydrophobicContact CE2-CZ 4.34Å; F1117-T1119 VanDerWaalsContact C-N 3.3Å; F1117-T1119 VanDerWaalsContact CB-O 3.28Å; F1117-T1119 WeakPolarHBondContact CB-O 3.12Å; F1117-V1121 HydrophobicContact CB-CG2 3.73Å; F1117-V1121 HydrophobicContact CD1-CG2 4.14Å; F1117-V1121 HydrophobicContact CD2-CB 3.78Å; F1117-V1121 HydrophobicContact CD2-CG2 3.32Å; F1117-V1121 HydrophobicContact CE2-CB 4.01Å; F1117-V1121 HydrophobicContact CE2-CG1 4.3Å; F1117-V1121 HydrophobicContact CE2-CG2 3.86Å; F1117-V1121 HydrophobicContact CG-CB 4.43Å; F1117-V1121 HydrophobicContact CG-CG2 3.48Å; F1117-V1121 VanDerWaalsContact CG-CG2 3.48Å; F1117-V1121 HydrophobicContact CZ-CG2 4.45Å; F1117-I1124 HydrophobicContact CZ-CD1 4.5Å; F1117-A1133 HydrophobicContact CD1-CB 4.42Å; F1117-A1133 HydrophobicContact CE1-CB 4.06Å; F1117-A1133 HydrophobicContact CZ-CB 4.33Å; F1117-I1142 HydrophobicContact CD1-CD1 3.79Å; F1117-I1142 HydrophobicContact CE1-CD1 3.9Å | ||
| 1118 | D | 83.6 | Confident | 84.8 | Confident | 129 Ų | 129 | 67.2 Ų | 67.2 | 69% | 0.69 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -72.6 | -28.9 | 179.3 | -59.4 | -18 | 0 | 0 | 0 | 111.5 | R1140 | D1118-R1140 IonicContact OD2-CZ 2.75Å; D1118-R1140 IonicContact OD2-NH1 2.73Å; D1118-R1140 PolarHBondContact OD2-NH1 3.08Å |
| 1119 | T | 86.3 | Confident | 85.1 | Confident | 47 Ų | 47 | 62.3 Ų | 62.3 | 29% | 0.288 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -107.3 | 162.1 | 173.5 | 53.6 | 0 | 0 | 0 | 0 | 110.6 | F1117 | F1117-T1119 VanDerWaalsContact C-N 3.3Å; F1117-T1119 VanDerWaalsContact CB-O 3.28Å; F1117-T1119 WeakPolarHBondContact CB-O 3.12Å |
| 1120 | T | 92.3 | Very high | 85.7 | Confident | 86 Ų | 86 | 58 Ų | 58 | 53% | 0.528 | 31% | 0.305 | S | S | . | . | trans | -76.4 | 125.9 | 172.3 | -58.5 | 0 | 0 | 0 | 0 | 109.3 | P1092 H1135 | P1092-T1120 HydrophobicContact CB-CG2 3.86Å; P1092-T1120 WeakPolarHBondContact O-CA 3.44Å; T1120-H1135 VanDerWaalsContact O-CB 3.23Å; T1120-H1135 WeakPolarHBondContact O-CB 3.37Å | ||
| 1121 | V | 92.5 | Very high | 86.5 | Confident | 5 Ų | 5 | 55.5 Ų | 55.5 | 3% | 0.03 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 127.5 | -176.4 | 177.3 | 0 | 0 | 0 | 0 | 110.3 | I1077 P1092 F1117 S1123 A1133 F1134 | I1077-V1121 HydrophobicContact CD1-CB 4.04Å; I1077-V1121 HydrophobicContact CD1-CG1 3.84Å; I1077-V1121 WeakPolarHBondContact CD1-O 3.38Å; P1092-V1121 PolarHBondContact O-N 3.11Å; F1117-V1121 HydrophobicContact CB-CG2 3.73Å; F1117-V1121 HydrophobicContact CD1-CG2 4.14Å; F1117-V1121 HydrophobicContact CD2-CB 3.78Å; F1117-V1121 HydrophobicContact CD2-CG2 3.32Å; F1117-V1121 HydrophobicContact CE2-CB 4.01Å; F1117-V1121 HydrophobicContact CE2-CG1 4.3Å; F1117-V1121 HydrophobicContact CE2-CG2 3.86Å; F1117-V1121 HydrophobicContact CG-CB 4.43Å; F1117-V1121 HydrophobicContact CG-CG2 3.48Å; F1117-V1121 VanDerWaalsContact CG-CG2 3.48Å; F1117-V1121 HydrophobicContact CZ-CG2 4.45Å; V1121-S1123 WeakPolarHBondContact CG1-O 3.31Å; V1121-A1133 HydrophobicContact CG1-CB 3.81Å; V1121-A1133 HydrophobicContact CG2-CB 3.82Å; V1121-F1134 WeakPolarHBondContact CG1-O 3.4Å |
| 1122 | D | 90.5 | Very high | 87.2 | Confident | 67 Ų | 67 | 47.1 Ų | 47.1 | 36% | 0.358 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | -32.7 | -178 | -62.4 | -69.5 | 0 | 0 | 0 | 112.5 | F1134 T1136 | D1122-F1134 PolarHBondContact N-O 3.25Å; D1122-T1136 PolarHBondContact OD2-N 2.89Å |
| 1123 | S | 92.1 | Very high | 87.9 | Confident | 9 Ų | 9 | 43 Ų | 43 | 6% | 0.063 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 159.9 | 179.2 | 65.2 | 0 | 0 | 0 | 0 | 112.6 | V1121 F1134 L1161 | V1121-S1123 WeakPolarHBondContact CG1-O 3.31Å; S1123-F1134 PolarHBondContact N-O 2.9Å; S1123-F1134 PolarHBondContact O-N 3.45Å; S1123-L1161 WeakPolarHBondContact OG-CB 3.36Å |
| 1124 | I | 92.1 | Very high | 88.4 | Confident | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.01 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 138.5 | -177 | -155.2 | 174 | 0 | 0 | 0 | 112 | K1078 L1088 C1090 F1117 V1131 L1132 | K1078-I1124 HydrophobicContact CB-CG2 3.95Å; K1078-I1124 HydrophobicContact CD-CG2 4.17Å; L1088-I1124 HydrophobicContact CD2-CD1 4.44Å; C1090-I1124 HydrophobicContact CB-CD1 4.22Å; C1090-I1124 HydrophobicContact CB-CG2 4.26Å; C1090-I1124 VanDerWaalsContact SG-CD1 3.53Å; F1117-I1124 HydrophobicContact CZ-CD1 4.5Å; I1124-V1131 HydrophobicContact CD1-CB 3.73Å; I1124-V1131 HydrophobicContact CD1-CG1 3.91Å; I1124-V1131 HydrophobicContact CD1-CG2 3.98Å; I1124-V1131 HydrophobicContact CG1-CB 3.95Å; I1124-V1131 HydrophobicContact CG1-CG1 4.35Å; I1124-L1132 VanDerWaalsContact CA-O 3.3Å; I1124-L1132 WeakPolarHBondContact CA-O 3.41Å; I1124-L1132 WeakPolarHBondContact CG1-O 3.41Å |
| 1125 | V | 90.5 | Very high | 88.7 | Confident | 11 Ų | 11 | 37.5 Ų | 37.5 | 7% | 0.067 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 131.7 | 167.2 | -177 | 0 | 0 | 0 | 0 | 107.8 | L1127 V1131 L1132 F1134 L1161 I1168 | V1125-L1127 HydrophobicContact CG1-CD2 4.19Å; V1125-V1131 CarbonylContact O-C 3.46Å; V1125-V1131 WeakPolarHBondContact O-CA 3.44Å; V1125-L1132 HydrophobicContact CB-CB 4.33Å; V1125-L1132 PolarHBondContact N-O 3.06Å; V1125-L1132 PolarHBondContact O-N 2.7Å; V1125-F1134 HydrophobicContact CB-CE2 4.5Å; V1125-F1134 HydrophobicContact CG2-CD2 4.41Å; V1125-F1134 HydrophobicContact CG2-CE2 3.79Å; V1125-L1161 HydrophobicContact CG2-CD1 4.15Å; V1125-L1161 HydrophobicContact CG2-CD2 3.66Å; V1125-I1168 HydrophobicContact CG1-CD1 4.05Å |
| 1126 | R | 88.5 | Confident | 89 | Confident | 83 Ų | 83 | 39.6 Ų | 39.6 | 31% | 0.313 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 129.6 | 176.9 | 175.9 | -102.4 | 160.2 | 123.6 | -0.3 | 109.7 | V1080 Q1081 L1082 H1128 V1131 | V1080-R1126 HydrophobicContact CG1-CB 3.69Å; V1080-R1126 HydrophobicContact CG1-CG 3.71Å; V1080-R1126 HydrophobicContact CG2-CB 4.5Å; Q1081-R1126 PolarHBondContact O-NH1 3.18Å; L1082-R1126 HydrophobicContact CD2-CG 4.21Å; L1082-R1126 PolarHBondContact O-NH1 3Å; R1126-H1128 PolarHBondContact NH2-O 3.09Å; R1126-V1131 HydrophobicContact CB-CG1 4.4Å |
| 1127 | L | 85.2 | Confident | 89.3 | Confident | 3 Ų | 3 | 38.3 Ų | 38.3 | 2% | 0.016 | 20% | 0.199 | C | C | . | . | trans | -106 | -177.8 | -176.5 | -43.7 | 167.6 | 0 | 0 | 0 | 109.1 | V1125 S1130 L1132 H1190 D1192 | V1125-L1127 HydrophobicContact CG1-CD2 4.19Å; L1127-S1130 WeakPolarHBondContact CA-O 3.28Å; L1127-S1130 VanDerWaalsContact CB-O 3.25Å; L1127-S1130 WeakPolarHBondContact CB-O 2.92Å; L1127-S1130 VanDerWaalsContact CD1-OG 3.23Å; L1127-S1130 WeakPolarHBondContact CD1-OG 3.29Å; L1127-S1130 PolarHBondContact N-O 3.05Å; L1127-L1132 HydrophobicContact CD1-CD2 3.84Å; L1127-L1132 HydrophobicContact CD1-CG 3.87Å; L1127-L1132 HydrophobicContact CD2-CD1 4.4Å; L1127-L1132 HydrophobicContact CD2-CG 4.1Å; L1127-L1132 HydrophobicContact CG-CG 4.35Å; L1127-H1190 WeakPolarHBondContact CD1-CE1 3.34Å; L1127-H1190 VanDerWaalsContact CD1-NE2 3.29Å; L1127-H1190 WeakPolarHBondContact CD1-NE2 3.23Å; L1127-D1192 WeakPolarHBondContact CA-OD1 3.41Å; L1127-D1192 WeakPolarHBondContact CA-OD2 3.32Å; L1127-D1192 WeakPolarHBondContact CB-OD1 3.47Å; L1127-D1192 HydrophobicContact CD2-CB 3.84Å | ||
| 1128 | H | 78.6 | Confident | 89.4 | Confident | 151 Ų | 151 | 37.5 Ų | 37.5 | 70% | 0.699 | 20% | 0.196 | S | C | * | . | S | Bend | trans | -57.3 | -54.7 | 177.2 | -168.1 | 84.1 | 0 | 0 | 0 | 113.1 | R1126 D1192 | R1126-H1128 PolarHBondContact NH2-O 3.09Å; H1128-D1192 PolarHBondContact N-OD1 3.04Å |
| 1129 | D | 80.1 | Confident | 89.8 | Confident | 57 Ų | 57 | 31.4 Ų | 31.4 | 31% | 0.305 | 16% | 0.163 | S | C | . | . | S | Bend | trans | -118.8 | 3.7 | -172.9 | 78.4 | -19 | 0 | 0 | 0 | 115.1 | F1144 | D1129-F1144 WeakPolarHBondContact O-CD2 3.34Å; D1129-F1144 WeakPolarHBondContact O-CE2 3.43Å; D1129-F1144 WeakPolarHBondContact O-CG 3.31Å; D1129-F1144 PolarHBondContact O-N 3.43Å |
| 1130 | S | 87 | Confident | 90 | Very high | 6 Ų | 6 | 31.1 Ų | 31.1 | 4% | 0.042 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 179.5 | -166 | 43.9 | 0 | 0 | 0 | 0 | 112 | L1127 I1142 | L1127-S1130 WeakPolarHBondContact CA-O 3.28Å; L1127-S1130 VanDerWaalsContact CB-O 3.25Å; L1127-S1130 WeakPolarHBondContact CB-O 2.92Å; L1127-S1130 VanDerWaalsContact CD1-OG 3.23Å; L1127-S1130 WeakPolarHBondContact CD1-OG 3.29Å; L1127-S1130 PolarHBondContact N-O 3.05Å; S1130-I1142 CarbonylContact C-O 3.54Å; S1130-I1142 WeakPolarHBondContact CA-O 3.45Å; S1130-I1142 WeakPolarHBondContact CB-O 3.28Å |
| 1131 | V | 89.5 | Confident | 89.8 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 143.6 | 176.5 | -71.3 | 0 | 0 | 0 | 0 | 111.3 | L1088 F1115 I1124 V1125 R1126 G1141 I1142 F1144 | L1088-V1131 HydrophobicContact CD2-CG1 3.75Å; F1115-V1131 HydrophobicContact CE2-CG2 4.02Å; F1115-V1131 HydrophobicContact CZ-CG2 4.08Å; I1124-V1131 HydrophobicContact CD1-CB 3.73Å; I1124-V1131 HydrophobicContact CD1-CG1 3.91Å; I1124-V1131 HydrophobicContact CD1-CG2 3.98Å; I1124-V1131 HydrophobicContact CG1-CB 3.95Å; I1124-V1131 HydrophobicContact CG1-CG1 4.35Å; V1125-V1131 CarbonylContact O-C 3.46Å; V1125-V1131 WeakPolarHBondContact O-CA 3.44Å; R1126-V1131 HydrophobicContact CB-CG1 4.4Å; V1131-G1141 CarbonylContact O-C 3.52Å; V1131-G1141 WeakPolarHBondContact O-CA 3.42Å; V1131-I1142 HydrophobicContact CG2-CB 4.33Å; V1131-I1142 WeakPolarHBondContact CG2-O 3.01Å; V1131-I1142 PolarHBondContact N-O 3.21Å; V1131-I1142 PolarHBondContact O-N 3.33Å; V1131-F1144 HydrophobicContact CG1-CE1 3.99Å |
| 1132 | L | 91.7 | Very high | 89.6 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 111.3 | 164.9 | -56.2 | -175.9 | 0 | 0 | 0 | 109.3 | I1124 V1125 L1127 F1134 L1139 I1168 L1187 | I1124-L1132 VanDerWaalsContact CA-O 3.3Å; I1124-L1132 WeakPolarHBondContact CA-O 3.41Å; I1124-L1132 WeakPolarHBondContact CG1-O 3.41Å; V1125-L1132 HydrophobicContact CB-CB 4.33Å; V1125-L1132 PolarHBondContact N-O 3.06Å; V1125-L1132 PolarHBondContact O-N 2.7Å; L1127-L1132 HydrophobicContact CD1-CD2 3.84Å; L1127-L1132 HydrophobicContact CD1-CG 3.87Å; L1127-L1132 HydrophobicContact CD2-CD1 4.4Å; L1127-L1132 HydrophobicContact CD2-CG 4.1Å; L1127-L1132 HydrophobicContact CG-CG 4.35Å; L1132-F1134 HydrophobicContact CB-CD2 4.29Å; L1132-F1134 HydrophobicContact CB-CE2 3.77Å; L1132-F1134 HydrophobicContact CD1-CE2 4.31Å; L1132-F1134 HydrophobicContact CD1-CZ 4.44Å; L1132-L1139 HydrophobicContact CD2-CD1 4.07Å; L1132-I1168 HydrophobicContact CD1-CD1 3.89Å; L1132-L1187 HydrophobicContact CD1-CD2 3.41Å; L1132-L1187 VanDerWaalsContact CD1-CD2 3.41Å |
| 1133 | A | 92.7 | Very high | 89.4 | Confident | 1 Ų | 1 | 24.3 Ų | 24.3 | 1% | 0.008 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 106.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | F1117 V1121 L1139 R1140 | F1117-A1133 HydrophobicContact CD1-CB 4.42Å; F1117-A1133 HydrophobicContact CE1-CB 4.06Å; F1117-A1133 HydrophobicContact CZ-CB 4.33Å; V1121-A1133 HydrophobicContact CG1-CB 3.81Å; V1121-A1133 HydrophobicContact CG2-CB 3.82Å; A1133-L1139 CarbonylContact O-C 3.52Å; A1133-L1139 WeakPolarHBondContact O-CA 3.37Å; A1133-R1140 PolarHBondContact N-O 3.03Å; A1133-R1140 PolarHBondContact O-N 3.02Å |
| 1134 | F | 94.2 | Very high | 88.9 | Confident | 5 Ų | 5 | 25 Ų | 25 | 2% | 0.022 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 128.9 | 177.4 | -73.5 | -97.9 | 0 | 0 | 0 | 110.4 | F857 V1121 D1122 S1123 V1125 L1132 G1138 L1139 L1161 I1168 V1170 L1187 | F857-F1134 HydrophobicContact CE1-CE1 4.35Å; F857-F1134 HydrophobicContact CZ-CE1 4.49Å; V1121-F1134 WeakPolarHBondContact CG1-O 3.4Å; D1122-F1134 PolarHBondContact N-O 3.25Å; S1123-F1134 PolarHBondContact N-O 2.9Å; S1123-F1134 PolarHBondContact O-N 3.45Å; V1125-F1134 HydrophobicContact CB-CE2 4.5Å; V1125-F1134 HydrophobicContact CG2-CD2 4.41Å; V1125-F1134 HydrophobicContact CG2-CE2 3.79Å; L1132-F1134 HydrophobicContact CB-CD2 4.29Å; L1132-F1134 HydrophobicContact CB-CE2 3.77Å; L1132-F1134 HydrophobicContact CD1-CE2 4.31Å; L1132-F1134 HydrophobicContact CD1-CZ 4.44Å; F1134-G1138 WeakPolarHBondContact CA-O 3.43Å; F1134-L1139 HydrophobicContact CD1-CB 3.75Å; F1134-L1139 HydrophobicContact CD1-CD2 4.19Å; F1134-L1139 HydrophobicContact CD2-CB 4.45Å; F1134-L1139 HydrophobicContact CE1-CB 3.88Å; F1134-L1139 HydrophobicContact CE1-CD2 3.44Å; F1134-L1139 VanDerWaalsContact CE1-CD2 3.44Å; F1134-L1139 HydrophobicContact CE1-CG 4.32Å; F1134-L1139 HydrophobicContact CE2-CD2 4.39Å; F1134-L1139 HydrophobicContact CG-CB 4.05Å; F1134-L1139 HydrophobicContact CZ-CB 4.28Å; F1134-L1139 HydrophobicContact CZ-CD2 3.56Å; F1134-L1161 HydrophobicContact CD2-CD2 4.4Å; F1134-L1161 HydrophobicContact CE2-CD1 4.17Å; F1134-L1161 HydrophobicContact CZ-CD1 4.13Å; F1134-I1168 HydrophobicContact CE2-CG2 4.45Å; F1134-I1168 HydrophobicContact CZ-CG2 3.79Å; F1134-V1170 HydrophobicContact CE1-CG2 3.76Å; F1134-V1170 HydrophobicContact CZ-CG2 4.31Å; F1134-L1187 HydrophobicContact CZ-CD2 4.46Å |
| 1135 | H | 93.3 | Very high | 88.3 | Confident | 7 Ų | 7 | 29.4 Ų | 29.4 | 3% | 0.032 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 166.5 | 174.9 | 48.1 | 98 | 0 | 0 | 0 | 109.4 | T1120 H1137 G1138 L1139 D1153 | T1120-H1135 VanDerWaalsContact O-CB 3.23Å; T1120-H1135 WeakPolarHBondContact O-CB 3.37Å; H1135-H1137 PolarHBondContact O-N 3.19Å; H1135-G1138 PolarHBondContact N-O 2.68Å; H1135-G1138 VanDerWaalsContact N-O 3.12Å; H1135-G1138 PolarHBondContact O-N 3.41Å; H1135-L1139 VanDerWaalsContact NE2-C 3.34Å; H1135-L1139 WeakPolarHBondContact NE2-CA 3.46Å; H1135-L1139 PolarHBondContact NE2-N 2.15Å; H1135-D1153 IonicContact CE1-OD1 2.73Å; H1135-D1153 PolarHBondContact CE1-OD1 2.95Å; H1135-D1153 IonicContact ND1-OD1 3.83Å |
| 1136 | T | 92.7 | Very high | 87.7 | Confident | 58 Ų | 58 | 30.5 Ų | 30.5 | 36% | 0.356 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -39.3 | -45.4 | -178.8 | -45.3 | 0 | 0 | 0 | 0 | 114.5 | D1122 V1158 Y1159 | D1122-T1136 PolarHBondContact OD2-N 2.89Å; T1136-V1158 HydrophobicContact CG2-CG1 3.94Å; T1136-V1158 HydrophobicContact CG2-CG2 4.1Å; T1136-V1158 CarbonylContact O-C 3.51Å; T1136-V1158 VanDerWaalsContact O-CA 3.27Å; T1136-V1158 WeakPolarHBondContact O-CA 3.39Å; T1136-Y1159 PolarHBondContact O-N 3.16Å |
| 1137 | H | 93.3 | Very high | 87.5 | Confident | 61 Ų | 61 | 32.7 Ų | 32.7 | 28% | 0.282 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.4 | 10.6 | -173.4 | -62.5 | -59.7 | 0 | 0 | 0 | 115 | H1135 D1153 D1154 H1157 Y1159 S1175 | H1135-H1137 PolarHBondContact O-N 3.19Å; H1137-D1153 VanDerWaalsContact CB-OD1 3.26Å; H1137-D1153 WeakPolarHBondContact CB-OD1 3.37Å; H1137-D1154 PolarHBondContact O-N 3.26Å; H1137-H1157 PolarHBondContact ND1-O 3.11Å; H1137-Y1159 VanDerWaalsContact C-CD2 3.44Å; H1137-Y1159 WeakPolarHBondContact O-CE2 3.48Å; H1137-S1175 PolarHBondContact CE1-OG 2.95Å |
| 1138 | G | 91.3 | Very high | 87.5 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 156.3 | -129.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | F1134 H1135 I1152 | F1134-G1138 WeakPolarHBondContact CA-O 3.43Å; H1135-G1138 PolarHBondContact N-O 2.68Å; H1135-G1138 VanDerWaalsContact N-O 3.12Å; H1135-G1138 PolarHBondContact O-N 3.41Å; G1138-I1152 CarbonylContact C-O 3.31Å; G1138-I1152 WeakPolarHBondContact CA-O 3.3Å |
| 1139 | L | 92.1 | Very high | 87.7 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 153.2 | 178 | 73.3 | 87.4 | 0 | 0 | 0 | 112.8 | F857 L1132 A1133 F1134 H1135 I1152 L1187 | F857-L1139 HydrophobicContact CE1-CD2 3.97Å; F857-L1139 HydrophobicContact CZ-CD2 3.84Å; F857-L1139 HydrophobicContact CZ-CG 4.46Å; L1132-L1139 HydrophobicContact CD2-CD1 4.07Å; A1133-L1139 CarbonylContact O-C 3.52Å; A1133-L1139 WeakPolarHBondContact O-CA 3.37Å; F1134-L1139 HydrophobicContact CD1-CB 3.75Å; F1134-L1139 HydrophobicContact CD1-CD2 4.19Å; F1134-L1139 HydrophobicContact CD2-CB 4.45Å; F1134-L1139 HydrophobicContact CE1-CB 3.88Å; F1134-L1139 HydrophobicContact CE1-CD2 3.44Å; F1134-L1139 VanDerWaalsContact CE1-CD2 3.44Å; F1134-L1139 HydrophobicContact CE1-CG 4.32Å; F1134-L1139 HydrophobicContact CE2-CD2 4.39Å; F1134-L1139 HydrophobicContact CG-CB 4.05Å; F1134-L1139 HydrophobicContact CZ-CB 4.28Å; F1134-L1139 HydrophobicContact CZ-CD2 3.56Å; H1135-L1139 VanDerWaalsContact NE2-C 3.34Å; H1135-L1139 WeakPolarHBondContact NE2-CA 3.46Å; H1135-L1139 PolarHBondContact NE2-N 2.15Å; L1139-I1152 HydrophobicContact CD1-CD1 4.26Å; L1139-I1152 HydrophobicContact CD1-CG1 4.32Å; L1139-I1152 HydrophobicContact CD2-CD1 4.02Å; L1139-I1152 HydrophobicContact CG-CB 4.32Å; L1139-I1152 HydrophobicContact CG-CD1 3.94Å; L1139-I1152 HydrophobicContact CG-CG1 4.17Å; L1139-I1152 PolarHBondContact N-O 2.93Å; L1139-I1152 PolarHBondContact O-N 3.36Å; L1139-L1187 HydrophobicContact CD2-CD1 3.74Å; L1139-L1187 HydrophobicContact CD2-CD2 3.58Å; L1139-L1187 HydrophobicContact CD2-CG 4.28Å |
| 1140 | R | 89.9 | Confident | 87.9 | Confident | 42 Ų | 42 | 31 Ų | 31 | 16% | 0.158 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 122.8 | 170.2 | -172 | 170 | -78.4 | -171.1 | -4.7 | 111.2 | D1118 A1133 I1142 V1148 Q1150 D1151 | D1118-R1140 IonicContact OD2-CZ 2.75Å; D1118-R1140 IonicContact OD2-NH1 2.73Å; D1118-R1140 PolarHBondContact OD2-NH1 3.08Å; A1133-R1140 PolarHBondContact N-O 3.03Å; A1133-R1140 PolarHBondContact O-N 3.02Å; R1140-I1142 HydrophobicContact CG-CD1 4.13Å; R1140-I1142 HydrophobicContact CG-CG1 3.82Å; R1140-V1148 HydrophobicContact CG-CG1 3.82Å; R1140-V1148 HydrophobicContact CG-CG2 4.27Å; R1140-Q1150 CarbonylContact C-O 3.51Å; R1140-D1151 WeakPolarHBondContact CB-OD1 3.25Å; R1140-D1151 VanDerWaalsContact CG-OD1 3.31Å; R1140-D1151 WeakPolarHBondContact CG-OD1 3.45Å; R1140-D1151 IonicContact CZ-OD1 3.85Å; R1140-D1151 IonicContact CZ-OD2 3.31Å; R1140-D1151 VanDerWaalsContact NE-CG 3.32Å; R1140-D1151 IonicContact NE-OD1 3.38Å; R1140-D1151 PolarHBondContact NE-OD1 2.46Å; R1140-D1151 IonicContact NE-OD2 2.81Å; R1140-D1151 PolarHBondContact NE-OD2 3.19Å; R1140-D1151 IonicContact NH2-OD1 2.69Å; R1140-D1151 PolarHBondContact NH2-OD1 3.19Å; R1140-D1151 IonicContact NH2-OD2 2.89Å; R1140-D1151 PolarHBondContact NH2-OD2 3.45Å |
| 1141 | G | 88.8 | Confident | 87.9 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 128.4 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | V1131 V1148 T1149 Q1150 | V1131-G1141 CarbonylContact O-C 3.52Å; V1131-G1141 WeakPolarHBondContact O-CA 3.42Å; G1141-V1148 CarbonylContact O-C 3.49Å; G1141-V1148 VanDerWaalsContact O-CA 3.32Å; G1141-V1148 WeakPolarHBondContact O-CA 3.15Å; G1141-T1149 PolarHBondContact O-N 2.89Å; G1141-T1149 PolarHBondContact O-OG1 3.47Å; G1141-Q1150 PolarHBondContact N-O 2.99Å; G1141-Q1150 PolarHBondContact O-N 2.95Å |
| 1142 | I | 87.4 | Confident | 87.8 | Confident | 7 Ų | 7 | 36.2 Ų | 36.2 | 4% | 0.036 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 129 | -178.2 | -51 | 178.6 | 0 | 0 | 0 | 108.9 | F1115 F1117 S1130 V1131 R1140 R1147 | F1115-I1142 HydrophobicContact CD2-CG2 3.93Å; F1115-I1142 HydrophobicContact CE2-CB 4.45Å; F1115-I1142 HydrophobicContact CE2-CG2 4.1Å; F1117-I1142 HydrophobicContact CD1-CD1 3.79Å; F1117-I1142 HydrophobicContact CE1-CD1 3.9Å; S1130-I1142 CarbonylContact C-O 3.54Å; S1130-I1142 WeakPolarHBondContact CA-O 3.45Å; S1130-I1142 WeakPolarHBondContact CB-O 3.28Å; V1131-I1142 HydrophobicContact CG2-CB 4.33Å; V1131-I1142 WeakPolarHBondContact CG2-O 3.01Å; V1131-I1142 PolarHBondContact N-O 3.21Å; V1131-I1142 PolarHBondContact O-N 3.33Å; R1140-I1142 HydrophobicContact CG-CD1 4.13Å; R1140-I1142 HydrophobicContact CG-CG1 3.82Å; I1142-R1147 WeakPolarHBondContact CA-O 3.34Å |
| 1143 | D | 86.2 | Confident | 87.8 | Confident | 8 Ų | 8 | 41.1 Ų | 41.1 | 4% | 0.043 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 166 | 174.3 | 76.8 | 9.3 | 0 | 0 | 0 | 112.9 | F1145 G1146 R1147 T1149 | D1143-F1145 PolarHBondContact O-N 3.22Å; D1143-F1145 VanDerWaalsContact OD1-CA 3.29Å; D1143-F1145 WeakPolarHBondContact OD1-CA 3.41Å; D1143-F1145 VanDerWaalsContact OD1-CB 3.29Å; D1143-F1145 WeakPolarHBondContact OD1-CB 3.26Å; D1143-F1145 PolarHBondContact OD1-N 3.48Å; D1143-G1146 PolarHBondContact O-N 2.83Å; D1143-G1146 PolarHBondContact OD1-N 2.75Å; D1143-G1146 VanDerWaalsContact OD1-N 3.12Å; D1143-R1147 PolarHBondContact N-O 3.41Å; D1143-R1147 WeakPolarHBondContact OD1-CB 3.34Å; D1143-R1147 PolarHBondContact OD1-N 3.21Å; D1143-R1147 IonicContact OD1-NE 3.43Å; D1143-R1147 IonicContact OD2-CZ 2.68Å; D1143-R1147 IonicContact OD2-NE 3.67Å; D1143-R1147 PolarHBondContact OD2-NE 3.06Å; D1143-R1147 IonicContact OD2-NH2 3.68Å; D1143-R1147 PolarHBondContact OD2-NH2 2.69Å; D1143-T1149 HydrophobicContact CB-CG2 3.92Å |
| 1144 | F | 82.2 | Confident | 87.7 | Confident | 23 Ų | 23 | 43 Ų | 43 | 10% | 0.101 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -0.5 | 178 | -60.3 | -47.4 | 0 | 0 | 0 | 114.7 | Y425 L1082 L1088 D1129 V1131 | Y425-F1144 HydrophobicContact CE1-CB 3.58Å; Y425-F1144 HydrophobicContact CE1-CD2 4.06Å; Y425-F1144 HydrophobicContact CE1-CG 4.24Å; L1082-F1144 HydrophobicContact CD1-CE1 4.29Å; L1082-F1144 HydrophobicContact CD2-CE1 3.71Å; L1082-F1144 HydrophobicContact CD2-CE2 4.39Å; L1082-F1144 HydrophobicContact CD2-CZ 3.56Å; L1088-F1144 HydrophobicContact CD2-CE1 4.5Å; D1129-F1144 WeakPolarHBondContact O-CD2 3.34Å; D1129-F1144 WeakPolarHBondContact O-CE2 3.43Å; D1129-F1144 WeakPolarHBondContact O-CG 3.31Å; D1129-F1144 PolarHBondContact O-N 3.43Å; V1131-F1144 HydrophobicContact CG1-CE1 3.99Å |
| 1145 | F | 79.4 | Confident | 87.5 | Confident | 95 Ų | 95 | 48.4 Ų | 48.4 | 42% | 0.417 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | -0.2 | 168.9 | -53.9 | -94.8 | 0 | 0 | 0 | 112.5 | Y425 D1143 R1147 | Y425-F1145 HydrophobicContact CD1-CE1 4.17Å; Y425-F1145 HydrophobicContact CD1-CE2 4.08Å; Y425-F1145 AromaticContact CD1-CZ 3.74Å; Y425-F1145 HydrophobicContact CD1-CZ 3.74Å; Y425-F1145 HydrophobicContact CG-CE1 4.33Å; Y425-F1145 HydrophobicContact CG-CZ 4.25Å; Y425-F1145 WeakPolarHBondContact O-CZ 3.29Å; D1143-F1145 PolarHBondContact O-N 3.22Å; D1143-F1145 VanDerWaalsContact OD1-CA 3.29Å; D1143-F1145 WeakPolarHBondContact OD1-CA 3.41Å; D1143-F1145 VanDerWaalsContact OD1-CB 3.29Å; D1143-F1145 WeakPolarHBondContact OD1-CB 3.26Å; D1143-F1145 PolarHBondContact OD1-N 3.48Å; F1145-R1147 HydrophobicContact CB-CG 4.41Å; F1145-R1147 VanDerWaalsContact CD2-NH2 3.35Å |
| 1146 | G | 78.7 | Confident | 87.4 | Confident | 34 Ų | 34 | 53.3 Ų | 53.3 | 35% | 0.351 | 27% | 0.274 | S | S | . | . | S | Bend | trans | 80.7 | 14.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | D1143 | D1143-G1146 PolarHBondContact O-N 2.83Å; D1143-G1146 PolarHBondContact OD1-N 2.75Å; D1143-G1146 VanDerWaalsContact OD1-N 3.12Å |
| 1147 | R | 83.5 | Confident | 87.3 | Confident | 129 Ų | 129 | 53 Ų | 53 | 49% | 0.487 | 27% | 0.268 | S | S | . | . | trans | -89.8 | 132.5 | 177.4 | -57.1 | 177.3 | -64.7 | -158 | -0.5 | 109.7 | I1142 D1143 F1145 T1149 | I1142-R1147 WeakPolarHBondContact CA-O 3.34Å; D1143-R1147 PolarHBondContact N-O 3.41Å; D1143-R1147 WeakPolarHBondContact OD1-CB 3.34Å; D1143-R1147 PolarHBondContact OD1-N 3.21Å; D1143-R1147 IonicContact OD1-NE 3.43Å; D1143-R1147 IonicContact OD2-CZ 2.68Å; D1143-R1147 IonicContact OD2-NE 3.67Å; D1143-R1147 PolarHBondContact OD2-NE 3.06Å; D1143-R1147 IonicContact OD2-NH2 3.68Å; D1143-R1147 PolarHBondContact OD2-NH2 2.69Å; F1145-R1147 HydrophobicContact CB-CG 4.41Å; F1145-R1147 VanDerWaalsContact CD2-NH2 3.35Å; R1147-T1149 PolarHBondContact O-N 3.45Å | ||
| 1148 | V | 85.3 | Confident | 87.3 | Confident | 78 Ų | 78 | 52.3 Ų | 52.3 | 47% | 0.473 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 121.4 | 173.7 | -177.7 | 0 | 0 | 0 | 0 | 109.2 | R1140 G1141 Q1150 D1151 | R1140-V1148 HydrophobicContact CG-CG1 3.82Å; R1140-V1148 HydrophobicContact CG-CG2 4.27Å; G1141-V1148 CarbonylContact O-C 3.49Å; G1141-V1148 VanDerWaalsContact O-CA 3.32Å; G1141-V1148 WeakPolarHBondContact O-CA 3.15Å; V1148-Q1150 WeakPolarHBondContact CG1-O 3.25Å; V1148-D1151 HydrophobicContact CG1-CB 4.32Å |
| 1149 | T | 83.3 | Confident | 87.4 | Confident | 70 Ų | 70 | 53.6 Ų | 53.6 | 43% | 0.429 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | -32.4 | 177.4 | 56.8 | 0 | 0 | 0 | 0 | 112 | G1141 D1143 R1147 | G1141-T1149 PolarHBondContact O-N 2.89Å; G1141-T1149 PolarHBondContact O-OG1 3.47Å; D1143-T1149 HydrophobicContact CB-CG2 3.92Å; R1147-T1149 PolarHBondContact O-N 3.45Å |
| 1150 | Q | 82.9 | Confident | 87.4 | Confident | 28 Ų | 28 | 55.7 Ų | 55.7 | 13% | 0.131 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 152 | -180 | -57.5 | -166.5 | -4.3 | 0 | 0 | 109.6 | R1140 G1141 V1148 H1190 | R1140-Q1150 CarbonylContact C-O 3.51Å; G1141-Q1150 PolarHBondContact N-O 2.99Å; G1141-Q1150 PolarHBondContact O-N 2.95Å; V1148-Q1150 WeakPolarHBondContact CG1-O 3.25Å; Q1150-H1190 PolarHBondContact OE1-CD2 3.42Å |
| 1151 | D | 87.7 | Confident | 87.6 | Confident | 81 Ų | 81 | 53.9 Ų | 53.9 | 43% | 0.433 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 133.9 | 175.1 | -144.6 | 19.3 | 0 | 0 | 0 | 109.2 | R1140 V1148 | R1140-D1151 WeakPolarHBondContact CB-OD1 3.25Å; R1140-D1151 VanDerWaalsContact CG-OD1 3.31Å; R1140-D1151 WeakPolarHBondContact CG-OD1 3.45Å; R1140-D1151 IonicContact CZ-OD1 3.85Å; R1140-D1151 IonicContact CZ-OD2 3.31Å; R1140-D1151 VanDerWaalsContact NE-CG 3.32Å; R1140-D1151 IonicContact NE-OD1 3.38Å; R1140-D1151 PolarHBondContact NE-OD1 2.46Å; R1140-D1151 IonicContact NE-OD2 2.81Å; R1140-D1151 PolarHBondContact NE-OD2 3.19Å; R1140-D1151 IonicContact NH2-OD1 2.69Å; R1140-D1151 PolarHBondContact NH2-OD1 3.19Å; R1140-D1151 IonicContact NH2-OD2 2.89Å; R1140-D1151 PolarHBondContact NH2-OD2 3.45Å; V1148-D1151 HydrophobicContact CG1-CB 4.32Å |
| 1152 | I | 88.2 | Confident | 87.7 | Confident | 34 Ų | 34 | 53.9 Ų | 53.9 | 17% | 0.174 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 115.2 | 174 | -48.2 | 179 | 0 | 0 | 0 | 106.4 | A855 F857 G1138 L1139 L1187 | A855-I1152 VanDerWaalsContact O-CD1 3.24Å; A855-I1152 WeakPolarHBondContact O-CD1 3.39Å; F857-I1152 HydrophobicContact CD2-CG2 4.24Å; F857-I1152 HydrophobicContact CE2-CD1 4.23Å; F857-I1152 HydrophobicContact CE2-CG2 3.82Å; F857-I1152 HydrophobicContact CZ-CD1 4.35Å; G1138-I1152 CarbonylContact C-O 3.31Å; G1138-I1152 WeakPolarHBondContact CA-O 3.3Å; L1139-I1152 HydrophobicContact CD1-CD1 4.26Å; L1139-I1152 HydrophobicContact CD1-CG1 4.32Å; L1139-I1152 HydrophobicContact CD2-CD1 4.02Å; L1139-I1152 HydrophobicContact CG-CB 4.32Å; L1139-I1152 HydrophobicContact CG-CD1 3.94Å; L1139-I1152 HydrophobicContact CG-CG1 4.17Å; L1139-I1152 PolarHBondContact N-O 2.93Å; L1139-I1152 PolarHBondContact O-N 3.36Å; I1152-L1187 HydrophobicContact CD1-CD1 3.91Å |
| 1153 | D | 90.1 | Very high | 87.8 | Confident | 103 Ų | 103 | 54 Ų | 54 | 55% | 0.551 | 28% | 0.277 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 120.9 | 177.1 | -154.9 | 23.6 | 0 | 0 | 0 | 107.7 | H1135 H1137 | H1135-D1153 IonicContact CE1-OD1 2.73Å; H1135-D1153 PolarHBondContact CE1-OD1 2.95Å; H1135-D1153 IonicContact ND1-OD1 3.83Å; H1137-D1153 VanDerWaalsContact CB-OD1 3.26Å; H1137-D1153 WeakPolarHBondContact CB-OD1 3.37Å |
| 1154 | D | 90.8 | Very high | 87.9 | Confident | 41 Ų | 41 | 55 Ų | 55 | 22% | 0.219 | 29% | 0.285 | C | S | . | . | trans | -137.2 | 96 | 178.7 | 178.1 | 13.5 | 0 | 0 | 0 | 108.4 | H1137 K1156 H1157 Y1159 | H1137-D1154 PolarHBondContact O-N 3.26Å; D1154-K1156 PolarHBondContact O-N 3.14Å; D1154-K1156 VanDerWaalsContact O-N 3.15Å; D1154-K1156 VanDerWaalsContact OD1-CB 3.27Å; D1154-K1156 WeakPolarHBondContact OD1-CB 3.19Å; D1154-K1156 WeakPolarHBondContact OD1-CG 3.48Å; D1154-K1156 PolarHBondContact OD1-N 2.93Å; D1154-H1157 PolarHBondContact O-N 3.41Å; D1154-H1157 VanDerWaalsContact O-O 3.05Å; D1154-H1157 IonicContact OD2-CE1 2.68Å; D1154-H1157 IonicContact OD2-CG 3.47Å; D1154-H1157 IonicContact OD2-ND1 3.33Å; D1154-H1157 PolarHBondContact OD2-ND1 2.86Å; D1154-Y1159 HydrophobicContact CB-CE2 4.17Å; D1154-Y1159 PolarHBondContact OD2-OH 3.41Å | ||
| 1155 | D | 90.9 | Very high | 87.8 | Confident | 118 Ų | 118 | 56.9 Ų | 56.9 | 63% | 0.631 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -19.3 | -176.8 | 69.9 | -24.5 | 0 | 0 | 0 | 113.1 | H1157 S1175 | D1155-H1157 PolarHBondContact O-N 3.18Å; D1155-S1175 VanDerWaalsContact O-CB 3.24Å; D1155-S1175 WeakPolarHBondContact O-CB 3.36Å; D1155-S1175 PolarHBondContact O-OG 3.15Å |
| 1156 | K | 91.1 | Very high | 87.9 | Confident | 110 Ų | 110 | 58.8 Ų | 58.8 | 48% | 0.478 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | -16.5 | 174.8 | -52.4 | 171.6 | -175.3 | 171.5 | 0 | 112.7 | D1154 P1174 S1175 | D1154-K1156 PolarHBondContact O-N 3.14Å; D1154-K1156 VanDerWaalsContact O-N 3.15Å; D1154-K1156 VanDerWaalsContact OD1-CB 3.27Å; D1154-K1156 WeakPolarHBondContact OD1-CB 3.19Å; D1154-K1156 WeakPolarHBondContact OD1-CG 3.48Å; D1154-K1156 PolarHBondContact OD1-N 2.93Å; K1156-P1174 CarbonylContact O-C 3.48Å; K1156-P1174 WeakPolarHBondContact O-CA 3.47Å; K1156-S1175 VanDerWaalsContact C-OG 3.31Å; K1156-S1175 PolarHBondContact O-N 2.83Å; K1156-S1175 PolarHBondContact O-OG 2.84Å |
| 1157 | H | 91 | Very high | 88.2 | Confident | 50 Ų | 50 | 59.2 Ų | 59.2 | 23% | 0.231 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 150.6 | -177.8 | -68.4 | 102.7 | 0 | 0 | 0 | 114 | H1137 D1154 D1155 Y1159 R1173 S1175 | H1137-H1157 PolarHBondContact ND1-O 3.11Å; D1154-H1157 PolarHBondContact O-N 3.41Å; D1154-H1157 VanDerWaalsContact O-O 3.05Å; D1154-H1157 IonicContact OD2-CE1 2.68Å; D1154-H1157 IonicContact OD2-CG 3.47Å; D1154-H1157 IonicContact OD2-ND1 3.33Å; D1154-H1157 PolarHBondContact OD2-ND1 2.86Å; D1155-H1157 PolarHBondContact O-N 3.18Å; H1157-Y1159 HydrophobicContact CB-CD2 4.23Å; H1157-Y1159 HydrophobicContact CB-CE2 3.53Å; H1157-R1173 CarbonylContact C-O 3.58Å; H1157-R1173 VanDerWaalsContact CA-O 3.26Å; H1157-R1173 WeakPolarHBondContact CA-O 3.38Å; H1157-S1175 VanDerWaalsContact C-OG 3.25Å; H1157-S1175 PolarHBondContact N-OG 3.39Å; H1157-S1175 PolarHBondContact O-OG 3.27Å |
| 1158 | V | 92.1 | Very high | 88.6 | Confident | 48 Ų | 48 | 53.9 Ų | 53.9 | 29% | 0.291 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 121.4 | 168 | 176.9 | 0 | 0 | 0 | 0 | 109.3 | T1136 S1172 R1173 | T1136-V1158 HydrophobicContact CG2-CG1 3.94Å; T1136-V1158 HydrophobicContact CG2-CG2 4.1Å; T1136-V1158 CarbonylContact O-C 3.51Å; T1136-V1158 VanDerWaalsContact O-CA 3.27Å; T1136-V1158 WeakPolarHBondContact O-CA 3.39Å; V1158-S1172 CarbonylContact O-C 3.59Å; V1158-S1172 VanDerWaalsContact O-CA 3.24Å; V1158-S1172 WeakPolarHBondContact O-CA 2.93Å; V1158-R1173 PolarHBondContact N-O 3.11Å; V1158-R1173 PolarHBondContact O-N 2.92Å |
| 1159 | Y | 93 | Very high | 89 | Confident | 26 Ų | 26 | 50.2 Ų | 50.2 | 10% | 0.102 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 147.9 | -177.3 | -61.9 | -92.7 | 0 | 0 | 0 | 112.4 | F857 T1136 H1137 D1154 H1157 V1170 E1171 L1185 | F857-Y1159 HydrophobicContact CD2-CD1 4.06Å; F857-Y1159 AromaticContact CD2-CE1 3.43Å; F857-Y1159 HydrophobicContact CD2-CE1 3.43Å; F857-Y1159 VanDerWaalsContact CD2-CE1 3.43Å; F857-Y1159 AromaticContact CD2-CZ 3.94Å; F857-Y1159 AromaticContact CE2-CD1 3.65Å; F857-Y1159 HydrophobicContact CE2-CD1 3.65Å; F857-Y1159 AromaticContact CE2-CE1 3.39Å; F857-Y1159 HydrophobicContact CE2-CE1 3.39Å; F857-Y1159 HydrophobicContact CE2-CE2 4.41Å; F857-Y1159 HydrophobicContact CE2-CG 4.28Å; F857-Y1159 AromaticContact CE2-CZ 3.8Å; F857-Y1159 HydrophobicContact CG-CE1 4.21Å; F857-Y1159 AromaticContact CZ-CD1 3.96Å; F857-Y1159 HydrophobicContact CZ-CD1 3.96Å; F857-Y1159 HydrophobicContact CZ-CE1 4.15Å; F857-Y1159 HydrophobicContact CZ-CG 4.48Å; T1136-Y1159 PolarHBondContact O-N 3.16Å; H1137-Y1159 VanDerWaalsContact C-CD2 3.44Å; H1137-Y1159 WeakPolarHBondContact O-CE2 3.48Å; D1154-Y1159 HydrophobicContact CB-CE2 4.17Å; D1154-Y1159 PolarHBondContact OD2-OH 3.41Å; H1157-Y1159 HydrophobicContact CB-CD2 4.23Å; H1157-Y1159 HydrophobicContact CB-CE2 3.53Å; Y1159-V1170 HydrophobicContact CD1-CG1 4.01Å; Y1159-E1171 CarbonylContact C-O 3.54Å; Y1159-E1171 VanDerWaalsContact CA-O 3.3Å; Y1159-E1171 WeakPolarHBondContact CA-O 3.2Å; Y1159-L1185 HydrophobicContact CD1-CD1 3.84Å; Y1159-L1185 HydrophobicContact CE1-CD1 3.66Å |
| 1160 | R | 92.1 | Very high | 89.5 | Confident | 45 Ų | 45 | 46.9 Ų | 46.9 | 17% | 0.17 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 127 | 172.3 | -174.9 | 178.5 | 65.1 | 93.5 | -4.8 | 112.5 | V868 L1162 V1170 E1171 | V868-R1160 PolarHBondContact O-NH2 2.88Å; R1160-L1162 PolarHBondContact O-N 3.27Å; R1160-V1170 CarbonylContact O-C 3.58Å; R1160-V1170 WeakPolarHBondContact O-CA 3.44Å; R1160-E1171 HydrophobicContact CB-CG 3.91Å; R1160-E1171 IonicContact CZ-OE1 2.74Å; R1160-E1171 PolarHBondContact N-O 2.77Å; R1160-E1171 IonicContact NE-OE1 2.77Å; R1160-E1171 PolarHBondContact NE-OE1 3.37Å; R1160-E1171 IonicContact NH2-OE1 2.74Å; R1160-E1171 PolarHBondContact NH2-OE1 3.28Å; R1160-E1171 IonicContact NH2-OE2 3.77Å; R1160-E1171 PolarHBondContact O-N 3.1Å |
| 1161 | L | 93.8 | Very high | 90 | Very high | 4 Ų | 4 | 45.7 Ų | 45.7 | 2% | 0.021 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 118.7 | 176.1 | -177.9 | 68.4 | 0 | 0 | 0 | 112 | S380 S1123 V1125 F1134 I1168 V1170 | S380-L1161 PolarHBondContact OG-O 3.43Å; S1123-L1161 WeakPolarHBondContact OG-CB 3.36Å; V1125-L1161 HydrophobicContact CG2-CD1 4.15Å; V1125-L1161 HydrophobicContact CG2-CD2 3.66Å; F1134-L1161 HydrophobicContact CD2-CD2 4.4Å; F1134-L1161 HydrophobicContact CE2-CD1 4.17Å; F1134-L1161 HydrophobicContact CZ-CD1 4.13Å; L1161-I1168 HydrophobicContact CD1-CG2 3.8Å; L1161-V1170 HydrophobicContact CD1-CG2 4.29Å |
| 1162 | L | 92.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | -25 | 178 | -63.6 | -179.3 | 0 | 0 | 0 | 113.7 | S380 V868 T871 R1160 V1169 E1171 L1184 | S380-L1162 WeakPolarHBondContact CB-O 3.26Å; V868-L1162 HydrophobicContact CB-CD1 4.12Å; V868-L1162 HydrophobicContact CB-CD2 3.94Å; V868-L1162 HydrophobicContact CG1-CD1 3.98Å; V868-L1162 HydrophobicContact CG1-CD2 3.98Å; V868-L1162 HydrophobicContact CG1-CG 4.42Å; V868-L1162 HydrophobicContact CG2-CD1 4.47Å; T871-L1162 HydrophobicContact CG2-CB 3.95Å; T871-L1162 HydrophobicContact CG2-CD1 4.46Å; T871-L1162 PolarHBondContact N-O 3.48Å; T871-L1162 VanDerWaalsContact N-O 3.09Å; T871-L1162 PolarHBondContact OG1-O 2.84Å; R1160-L1162 PolarHBondContact O-N 3.27Å; L1162-V1169 WeakPolarHBondContact CA-O 3.36Å; L1162-V1169 HydrophobicContact CB-CB 4.34Å; L1162-V1169 HydrophobicContact CB-CG1 4.27Å; L1162-V1169 WeakPolarHBondContact CB-O 3.03Å; L1162-V1169 HydrophobicContact CD1-CG1 4.17Å; L1162-V1169 PolarHBondContact N-O 2.91Å; L1162-E1171 HydrophobicContact CD1-CB 3.94Å; L1162-E1171 HydrophobicContact CD1-CG 4.41Å; L1162-E1171 HydrophobicContact CD2-CB 4.39Å; L1162-E1171 HydrophobicContact CD2-CG 3.94Å; L1162-E1171 HydrophobicContact CG-CB 4.22Å; L1162-E1171 HydrophobicContact CG-CG 4.21Å; L1162-L1184 HydrophobicContact CD1-CD2 3.81Å |
| 1163 | G | 89.2 | Confident | 90.5 | Very high | 8 Ų | 8 | 43 Ų | 43 | 8% | 0.082 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 172.3 | 165.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | T871 I1168 V1169 | T871-G1163 WeakPolarHBondContact OG1-CA 3.42Å; T871-G1163 PolarHBondContact OG1-N 3.43Å; G1163-I1168 CarbonylContact O-C 3.57Å; G1163-I1168 WeakPolarHBondContact O-CA 3.33Å; G1163-V1169 PolarHBondContact N-O 3.1Å; G1163-V1169 PolarHBondContact O-N 3.48Å |
| 1164 | S | 88.4 | Confident | 90.5 | Very high | 30 Ų | 30 | 40 Ų | 40 | 21% | 0.21 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 59.8 | -172.6 | 64 | 0 | 0 | 0 | 0 | 111.1 | ||
| 1165 | D | 79 | Confident | 90.4 | Very high | 63 Ų | 63 | 40 Ų | 40 | 34% | 0.337 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -97 | -41.5 | -177.1 | -178 | 63.4 | 0 | 0 | 0 | 112.4 | T873 | T873-D1165 PolarHBondContact OG1-OD2 3.35Š|
| 1166 | R | 82.6 | Confident | 90.3 | Very high | 135 Ų | 135 | 41.3 Ų | 41.3 | 51% | 0.509 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -139.5 | -55.2 | 163.6 | -63.6 | -179.4 | 170 | -167.5 | -7.2 | 109.7 | T873 | T873-R1166 HydrophobicContact CG2-CB 4.33Å; T873-R1166 WeakPolarHBondContact OG1-CB 3.27Å |
| 1167 | N | 85.3 | Confident | 90.1 | Very high | 42 Ų | 42 | 39.7 Ų | 39.7 | 23% | 0.225 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -83.5 | 132.5 | 167.6 | -63.3 | -11.4 | 0 | 0 | 0 | 108.7 | T873 V1169 I1186 | T873-N1167 HydrophobicContact CG2-CB 3.76Å; N1167-V1169 HydrophobicContact CB-CG2 4.15Å; N1167-V1169 PolarHBondContact O-N 3.11Å; N1167-I1186 HydrophobicContact CB-CG2 4.12Å |
| 1168 | I | 91 | Very high | 89.3 | Confident | 17 Ų | 17 | 41.3 Ų | 41.3 | 9% | 0.087 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 105.3 | 168 | -65.2 | 175 | 0 | 0 | 0 | 106.7 | V1125 L1132 F1134 L1161 G1163 V1170 I1186 L1187 | V1125-I1168 HydrophobicContact CG1-CD1 4.05Å; L1132-I1168 HydrophobicContact CD1-CD1 3.89Å; F1134-I1168 HydrophobicContact CE2-CG2 4.45Å; F1134-I1168 HydrophobicContact CZ-CG2 3.79Å; L1161-I1168 HydrophobicContact CD1-CG2 3.8Å; G1163-I1168 CarbonylContact O-C 3.57Å; G1163-I1168 WeakPolarHBondContact O-CA 3.33Å; I1168-V1170 HydrophobicContact CG2-CG2 4.31Å; I1168-I1186 CarbonylContact O-C 3.58Å; I1168-I1186 WeakPolarHBondContact O-CA 3.34Å; I1168-L1187 HydrophobicContact CB-CB 4.02Å; I1168-L1187 HydrophobicContact CD1-CD2 4.27Å; I1168-L1187 HydrophobicContact CG2-CB 3.88Å; I1168-L1187 HydrophobicContact CG2-CD2 4.26Å; I1168-L1187 PolarHBondContact O-N 2.89Å |
| 1169 | V | 92.9 | Very high | 88.6 | Confident | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.006 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 133 | -176 | -170.4 | 0 | 0 | 0 | 0 | 109.1 | T871 I884 F886 L1162 G1163 N1167 L1185 | T871-V1169 HydrophobicContact CG2-CG1 4.26Å; I884-V1169 HydrophobicContact CD1-CG2 4.06Å; I884-V1169 HydrophobicContact CG2-CG2 4.33Å; F886-V1169 HydrophobicContact CE1-CG1 4.28Å; L1162-V1169 WeakPolarHBondContact CA-O 3.36Å; L1162-V1169 HydrophobicContact CB-CB 4.34Å; L1162-V1169 HydrophobicContact CB-CG1 4.27Å; L1162-V1169 WeakPolarHBondContact CB-O 3.03Å; L1162-V1169 HydrophobicContact CD1-CG1 4.17Å; L1162-V1169 PolarHBondContact N-O 2.91Å; G1163-V1169 PolarHBondContact N-O 3.1Å; G1163-V1169 PolarHBondContact O-N 3.48Å; N1167-V1169 HydrophobicContact CB-CG2 4.15Å; N1167-V1169 PolarHBondContact O-N 3.11Å; V1169-L1185 WeakPolarHBondContact CA-O 3.38Å; V1169-L1185 WeakPolarHBondContact CG1-O 3.35Å |
| 1170 | V | 93.6 | Very high | 88.3 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 146.2 | -174 | -179.9 | 0 | 0 | 0 | 0 | 108.3 | F857 F1134 Y1159 R1160 L1161 I1168 L1185 | F857-V1170 HydrophobicContact CE1-CB 4.36Å; F857-V1170 HydrophobicContact CE1-CG1 4.3Å; F857-V1170 HydrophobicContact CE1-CG2 4.05Å; F1134-V1170 HydrophobicContact CE1-CG2 3.76Å; F1134-V1170 HydrophobicContact CZ-CG2 4.31Å; Y1159-V1170 HydrophobicContact CD1-CG1 4.01Å; R1160-V1170 CarbonylContact O-C 3.58Å; R1160-V1170 WeakPolarHBondContact O-CA 3.44Å; L1161-V1170 HydrophobicContact CD1-CG2 4.29Å; I1168-V1170 HydrophobicContact CG2-CG2 4.31Å; V1170-L1185 HydrophobicContact CB-CB 4.28Å; V1170-L1185 HydrophobicContact CG1-CD1 4.43Å; V1170-L1185 PolarHBondContact N-O 2.79Å; V1170-L1185 WeakPolarHBondContact O-CB 3.43Å; V1170-L1185 PolarHBondContact O-N 2.98Å |
| 1171 | E | 93.9 | Very high | 88.1 | Confident | 3 Ų | 3 | 49 Ų | 49 | 1% | 0.014 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 148.2 | 161.8 | 61.6 | 168.5 | -166 | 0 | 0 | 110.9 | Y1159 R1160 L1162 R1173 S1182 N1183 L1184 | Y1159-E1171 CarbonylContact C-O 3.54Å; Y1159-E1171 VanDerWaalsContact CA-O 3.3Å; Y1159-E1171 WeakPolarHBondContact CA-O 3.2Å; R1160-E1171 HydrophobicContact CB-CG 3.91Å; R1160-E1171 IonicContact CZ-OE1 2.74Å; R1160-E1171 PolarHBondContact N-O 2.77Å; R1160-E1171 IonicContact NE-OE1 2.77Å; R1160-E1171 PolarHBondContact NE-OE1 3.37Å; R1160-E1171 IonicContact NH2-OE1 2.74Å; R1160-E1171 PolarHBondContact NH2-OE1 3.28Å; R1160-E1171 IonicContact NH2-OE2 3.77Å; R1160-E1171 PolarHBondContact O-N 3.1Å; L1162-E1171 HydrophobicContact CD1-CB 3.94Å; L1162-E1171 HydrophobicContact CD1-CG 4.41Å; L1162-E1171 HydrophobicContact CD2-CB 4.39Å; L1162-E1171 HydrophobicContact CD2-CG 3.94Å; L1162-E1171 HydrophobicContact CG-CB 4.22Å; L1162-E1171 HydrophobicContact CG-CG 4.21Å; E1171-R1173 VanDerWaalsContact CD-NH1 3.33Å; E1171-R1173 VanDerWaalsContact CD-NH2 3.31Å; E1171-R1173 IonicContact OE1-CZ 3.72Å; E1171-R1173 IonicContact OE1-NH1 2.68Å; E1171-R1173 PolarHBondContact OE1-NH1 3.4Å; E1171-R1173 IonicContact OE1-NH2 2.74Å; E1171-R1173 PolarHBondContact OE1-NH2 3Å; E1171-R1173 IonicContact OE2-CZ 2.75Å; E1171-R1173 IonicContact OE2-NH1 3.13Å; E1171-R1173 IonicContact OE2-NH2 3.67Å; E1171-R1173 PolarHBondContact OE2-NH2 3.2Å; E1171-S1182 WeakPolarHBondContact OE2-CB 3.21Å; E1171-S1182 PolarHBondContact OE2-OG 3.1Å; E1171-N1183 CarbonylContact C-O 3.5Å; E1171-N1183 VanDerWaalsContact CA-O 3.22Å; E1171-N1183 WeakPolarHBondContact CA-O 3.4Å; E1171-L1184 HydrophobicContact CB-CD2 4.21Å |
| 1172 | S | 93.7 | Very high | 87.8 | Confident | 4 Ų | 4 | 48.8 Ų | 48.8 | 3% | 0.028 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 155.2 | 164.7 | 67.9 | 0 | 0 | 0 | 0 | 112.5 | V1158 S1182 N1183 | V1158-S1172 CarbonylContact O-C 3.59Å; V1158-S1172 VanDerWaalsContact O-CA 3.24Å; V1158-S1172 WeakPolarHBondContact O-CA 2.93Å; S1172-S1182 CarbonylContact O-C 3.57Å; S1172-S1182 WeakPolarHBondContact O-CA 3.1Å; S1172-S1182 VanDerWaalsContact O-CB 3.28Å; S1172-S1182 WeakPolarHBondContact O-CB 3.38Å; S1172-N1183 PolarHBondContact N-O 3.16Å; S1172-N1183 PolarHBondContact O-N 2.97Å |
| 1173 | R | 92.3 | Very high | 87.8 | Confident | 54 Ų | 54 | 50.3 Ų | 50.3 | 20% | 0.204 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 156.2 | 165.1 | -65.3 | -176.2 | -174.7 | 73.5 | 14.8 | 108.9 | H1157 V1158 E1171 P1178 S1180 S1182 | H1157-R1173 CarbonylContact C-O 3.58Å; H1157-R1173 VanDerWaalsContact CA-O 3.26Å; H1157-R1173 WeakPolarHBondContact CA-O 3.38Å; V1158-R1173 PolarHBondContact N-O 3.11Å; V1158-R1173 PolarHBondContact O-N 2.92Å; E1171-R1173 VanDerWaalsContact CD-NH1 3.33Å; E1171-R1173 VanDerWaalsContact CD-NH2 3.31Å; E1171-R1173 IonicContact OE1-CZ 3.72Å; E1171-R1173 IonicContact OE1-NH1 2.68Å; E1171-R1173 PolarHBondContact OE1-NH1 3.4Å; E1171-R1173 IonicContact OE1-NH2 2.74Å; E1171-R1173 PolarHBondContact OE1-NH2 3Å; E1171-R1173 IonicContact OE2-CZ 2.75Å; E1171-R1173 IonicContact OE2-NH1 3.13Å; E1171-R1173 IonicContact OE2-NH2 3.67Å; E1171-R1173 PolarHBondContact OE2-NH2 3.2Å; R1173-P1178 VanDerWaalsContact CD-O 3.32Å; R1173-P1178 WeakPolarHBondContact CD-O 3.1Å; R1173-S1180 WeakPolarHBondContact CB-OG 3.48Å; R1173-S1180 WeakPolarHBondContact CD-O 3.46Å; R1173-S1180 WeakPolarHBondContact CG-OG 3.21Å; R1173-S1180 PolarHBondContact NE-O 3.31Å; R1173-S1180 VanDerWaalsContact NE-O 3.07Å; R1173-S1182 PolarHBondContact NH2-OG 3.23Å |
| 1174 | P | 90.8 | Very high | 87.9 | Confident | 41 Ų | 41 | 50 Ų | 50 | 27% | 0.266 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.8 | 144.3 | 167.5 | -20.6 | 34.8 | 0 | 0 | 0 | 111.1 | K1156 D1176 D1177 S1180 | K1156-P1174 CarbonylContact O-C 3.48Å; K1156-P1174 WeakPolarHBondContact O-CA 3.47Å; P1174-D1176 VanDerWaalsContact C-N 3.26Å; P1174-D1176 WeakPolarHBondContact CB-OD1 3.28Å; P1174-D1176 PolarHBondContact O-N 3.46Å; P1174-D1177 CarbonylContact O-C 3.6Å; P1174-D1177 VanDerWaalsContact O-C 3.31Å; P1174-D1177 PolarHBondContact O-N 2.89Å; P1174-S1180 VanDerWaalsContact CD-OG 3.22Å; P1174-S1180 WeakPolarHBondContact CD-OG 3.28Å |
| 1175 | S | 89.6 | Confident | 88.1 | Confident | 40 Ų | 40 | 49 Ų | 49 | 28% | 0.28 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -70 | -23.3 | 178.6 | -66.5 | 0 | 0 | 0 | 0 | 113.2 | H1137 D1155 K1156 H1157 | H1137-S1175 PolarHBondContact CE1-OG 2.95Å; D1155-S1175 VanDerWaalsContact O-CB 3.24Å; D1155-S1175 WeakPolarHBondContact O-CB 3.36Å; D1155-S1175 PolarHBondContact O-OG 3.15Å; K1156-S1175 VanDerWaalsContact C-OG 3.31Å; K1156-S1175 PolarHBondContact O-N 2.83Å; K1156-S1175 PolarHBondContact O-OG 2.84Å; H1157-S1175 VanDerWaalsContact C-OG 3.25Å; H1157-S1175 PolarHBondContact N-OG 3.39Å; H1157-S1175 PolarHBondContact O-OG 3.27Å |
| 1176 | D | 89 | Confident | 88.6 | Confident | 147 Ų | 147 | 46.6 Ų | 46.6 | 79% | 0.786 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -85.9 | -25.1 | 177.7 | 66.3 | -38.9 | 0 | 0 | 0 | 113.6 | P1174 | P1174-D1176 VanDerWaalsContact C-N 3.26Å; P1174-D1176 WeakPolarHBondContact CB-OD1 3.28Å; P1174-D1176 PolarHBondContact O-N 3.46Å |
| 1177 | D | 85.5 | Confident | 88.9 | Confident | 76 Ų | 76 | 40.7 Ų | 40.7 | 41% | 0.406 | 22% | 0.222 | S | C | . | . | trans | -122.2 | 79.9 | 167.3 | -175.3 | 15.9 | 0 | 0 | 0 | 113.3 | P1174 M1179 S1180 | P1174-D1177 CarbonylContact O-C 3.6Å; P1174-D1177 VanDerWaalsContact O-C 3.31Å; P1174-D1177 PolarHBondContact O-N 2.89Å; D1177-M1179 PolarHBondContact O-N 3.15Å; D1177-M1179 WeakPolarHBondContact OD1-CA 3.11Å; D1177-M1179 WeakPolarHBondContact OD1-CB 3.42Å; D1177-M1179 PolarHBondContact OD1-N 3.49Å; D1177-S1180 WeakPolarHBondContact O-CB 3.47Å; D1177-S1180 PolarHBondContact O-N 3.1Å; D1177-S1180 PolarHBondContact OD1-N 3.45Å; D1177-S1180 WeakPolarHBondContact OD2-CB 3.24Å; D1177-S1180 PolarHBondContact OD2-N 2.94Å | ||
| 1178 | P | 74 | Confident | 88.9 | Confident | 83 Ų | 83 | 41.3 Ų | 41.3 | 54% | 0.539 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -10.8 | 172.1 | -23.6 | 34.7 | 0 | 0 | 0 | 114.8 | R1173 | R1173-P1178 VanDerWaalsContact CD-O 3.32Å; R1173-P1178 WeakPolarHBondContact CD-O 3.1Å |
| 1179 | M | 79.2 | Confident | 87.7 | Confident | 171 Ų | 171 | 41.6 Ų | 41.6 | 84% | 0.842 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.2 | 1.5 | 177.5 | -68.5 | -62.3 | -57.3 | 0 | 0 | 112.8 | D1177 | D1177-M1179 PolarHBondContact O-N 3.15Å; D1177-M1179 WeakPolarHBondContact OD1-CA 3.11Å; D1177-M1179 WeakPolarHBondContact OD1-CB 3.42Å; D1177-M1179 PolarHBondContact OD1-N 3.49Å |
| 1180 | S | 85.2 | Confident | 86.2 | Confident | 23 Ų | 23 | 42.4 Ų | 42.4 | 16% | 0.161 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -60 | 157 | 177.1 | 89.1 | 0 | 0 | 0 | 0 | 112.1 | R1173 P1174 D1177 | R1173-S1180 WeakPolarHBondContact CB-OG 3.48Å; R1173-S1180 WeakPolarHBondContact CD-O 3.46Å; R1173-S1180 WeakPolarHBondContact CG-OG 3.21Å; R1173-S1180 PolarHBondContact NE-O 3.31Å; R1173-S1180 VanDerWaalsContact NE-O 3.07Å; P1174-S1180 VanDerWaalsContact CD-OG 3.22Å; P1174-S1180 WeakPolarHBondContact CD-OG 3.28Å; D1177-S1180 WeakPolarHBondContact O-CB 3.47Å; D1177-S1180 PolarHBondContact O-N 3.1Å; D1177-S1180 PolarHBondContact OD1-N 3.45Å; D1177-S1180 WeakPolarHBondContact OD2-CB 3.24Å; D1177-S1180 PolarHBondContact OD2-N 2.94Å |
| 1181 | N | 87.8 | Confident | 83.9 | Confident | 86 Ų | 86 | 51 Ų | 51 | 46% | 0.46 | 28% | 0.278 | S | S | . | . | P | Polyproline II helix | trans | -56.6 | 140.5 | 156.7 | -71.7 | 6.7 | 0 | 0 | 0 | 108.9 | G863 C864 | G863-N1181 VanDerWaalsContact C-CB 3.43Å; G863-N1181 WeakPolarHBondContact O-CB 3.41Å; G863-N1181 PolarHBondContact O-ND2 3Å; C864-N1181 CarbonylContact O-C 3.58Å; C864-N1181 WeakPolarHBondContact O-CA 3.48Å; C864-N1181 WeakPolarHBondContact O-CB 3.19Å |
| 1182 | S | 89.2 | Confident | 81.5 | Confident | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.007 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 143.2 | -179.4 | 34.6 | 0 | 0 | 0 | 0 | 113.1 | C864 E1171 S1172 R1173 | C864-S1182 WeakPolarHBondContact CA-O 3.17Å; C864-S1182 WeakPolarHBondContact CB-O 3.45Å; C864-S1182 PolarHBondContact N-O 3.09Å; C864-S1182 PolarHBondContact O-N 2.97Å; E1171-S1182 WeakPolarHBondContact OE2-CB 3.21Å; E1171-S1182 PolarHBondContact OE2-OG 3.1Å; S1172-S1182 CarbonylContact O-C 3.57Å; S1172-S1182 WeakPolarHBondContact O-CA 3.1Å; S1172-S1182 VanDerWaalsContact O-CB 3.28Å; S1172-S1182 WeakPolarHBondContact O-CB 3.38Å; R1173-S1182 PolarHBondContact NH2-OG 3.23Å |
| 1183 | N | 91.6 | Very high | 78.5 | Confident | 32 Ų | 32 | 58 Ų | 58 | 17% | 0.171 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 144.3 | 162.9 | -64.9 | -22.9 | 0 | 0 | 0 | 108.7 | Q859 F861 E862 G863 E1171 S1172 | Q859-N1183 HydrophobicContact CG-CB 4.49Å; Q859-N1183 VanDerWaalsContact OE1-CG 3.26Å; Q859-N1183 PolarHBondContact OE1-ND2 3.4Å; Q859-N1183 VanDerWaalsContact OE1-ND2 3.15Å; F861-N1183 WeakPolarHBondContact O-CA 3.39Å; E862-N1183 WeakPolarHBondContact CA-OD1 3.29Å; G863-N1183 PolarHBondContact N-OD1 2.96Å; E1171-N1183 CarbonylContact C-O 3.5Å; E1171-N1183 VanDerWaalsContact CA-O 3.22Å; E1171-N1183 WeakPolarHBondContact CA-O 3.4Å; S1172-N1183 PolarHBondContact N-O 3.16Å; S1172-N1183 PolarHBondContact O-N 2.97Å |
| 1184 | L | 92 | Very high | 75.3 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 130 | 175.3 | -53.5 | 179 | 0 | 0 | 0 | 108.8 | I860 F861 C864 V868 F886 L905 L1162 E1171 | I860-L1184 HydrophobicContact CD1-CB 4.37Å; I860-L1184 HydrophobicContact CG1-CB 4.03Å; I860-L1184 VanDerWaalsContact CG1-O 3.22Å; I860-L1184 WeakPolarHBondContact CG1-O 3.35Å; I860-L1184 PolarHBondContact N-O 3.3Å; F861-L1184 HydrophobicContact CB-CB 3.89Å; F861-L1184 HydrophobicContact CB-CD1 3.89Å; F861-L1184 HydrophobicContact CB-CG 4.03Å; F861-L1184 HydrophobicContact CG-CD1 4.37Å; F861-L1184 PolarHBondContact N-O 3.44Å; F861-L1184 PolarHBondContact O-N 3.44Å; C864-L1184 HydrophobicContact CB-CD1 4.13Å; C864-L1184 HydrophobicContact CB-CD2 4.33Å; C864-L1184 HydrophobicContact CB-CG 4Å; V868-L1184 HydrophobicContact CG2-CD2 4.32Å; F886-L1184 HydrophobicContact CD1-CD1 4.17Å; F886-L1184 HydrophobicContact CE1-CD1 3.7Å; F886-L1184 HydrophobicContact CZ-CD1 4.08Å; L905-L1184 HydrophobicContact CD1-CD1 4.03Å; L1162-L1184 HydrophobicContact CD1-CD2 3.81Å; E1171-L1184 HydrophobicContact CB-CD2 4.21Å |
| 1185 | L | 92 | Very high | 74.5 | Confident | 10 Ų | 10 | 60.3 Ų | 60.3 | 5% | 0.052 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 151.3 | -170.2 | -51 | 171.2 | 0 | 0 | 0 | 110 | F857 M858 Q859 Y1159 V1169 V1170 | F857-L1185 HydrophobicContact CB-CB 4.34Å; F857-L1185 HydrophobicContact CB-CD1 4.01Å; F857-L1185 HydrophobicContact CB-CD2 4.49Å; F857-L1185 HydrophobicContact CD1-CD1 4.36Å; F857-L1185 HydrophobicContact CG-CD1 4.07Å; M858-L1185 CarbonylContact O-C 3.44Å; M858-L1185 VanDerWaalsContact O-CA 3.3Å; M858-L1185 WeakPolarHBondContact O-CA 3.33Å; Q859-L1185 HydrophobicContact CB-CD2 3.83Å; Q859-L1185 HydrophobicContact CG-CD2 4.17Å; Y1159-L1185 HydrophobicContact CD1-CD1 3.84Å; Y1159-L1185 HydrophobicContact CE1-CD1 3.66Å; V1169-L1185 WeakPolarHBondContact CA-O 3.38Å; V1169-L1185 WeakPolarHBondContact CG1-O 3.35Å; V1170-L1185 HydrophobicContact CB-CB 4.28Å; V1170-L1185 HydrophobicContact CG1-CD1 4.43Å; V1170-L1185 PolarHBondContact N-O 2.79Å; V1170-L1185 WeakPolarHBondContact O-CB 3.43Å; V1170-L1185 PolarHBondContact O-N 2.98Å |
| 1186 | I | 90.6 | Very high | 73.7 | Confident | 12 Ų | 12 | 61.3 Ų | 61.3 | 6% | 0.062 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 137.3 | 161.8 | -57.4 | 177.7 | 0 | 0 | 0 | 108 | M858 I860 I884 L897 N1167 I1168 V1188 | M858-I1186 PolarHBondContact N-O 3.14Å; M858-I1186 PolarHBondContact O-N 3.14Å; I860-I1186 HydrophobicContact CD1-CD1 4.14Å; I860-I1186 HydrophobicContact CD1-CG1 3.85Å; I860-I1186 HydrophobicContact CG1-CG1 4.27Å; I860-I1186 HydrophobicContact CG2-CD1 3.69Å; I860-I1186 HydrophobicContact CG2-CG1 3.84Å; I884-I1186 HydrophobicContact CD1-CD1 3.66Å; I884-I1186 HydrophobicContact CD1-CG1 4.16Å; L897-I1186 HydrophobicContact CD1-CD1 4.15Å; L897-I1186 HydrophobicContact CD2-CD1 4.37Å; N1167-I1186 HydrophobicContact CB-CG2 4.12Å; I1168-I1186 CarbonylContact O-C 3.58Å; I1168-I1186 WeakPolarHBondContact O-CA 3.34Å; I1186-V1188 HydrophobicContact CB-CG2 4.28Å; I1186-V1188 HydrophobicContact CG2-CG2 3.89Å |
| 1187 | L | 89 | Confident | 72.8 | Confident | 11 Ų | 11 | 56.6 Ų | 56.6 | 6% | 0.058 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 120.8 | 166.7 | -172.8 | 70.8 | 0 | 0 | 0 | 109.7 | A855 F857 L1132 F1134 L1139 I1152 I1168 H1190 | A855-L1187 HydrophobicContact CB-CD1 3.57Å; A855-L1187 HydrophobicContact CB-CD2 4.09Å; A855-L1187 HydrophobicContact CB-CG 3.77Å; F857-L1187 HydrophobicContact CD1-CB 4.41Å; F857-L1187 HydrophobicContact CD1-CD1 3.83Å; F857-L1187 HydrophobicContact CE1-CB 4.47Å; F857-L1187 HydrophobicContact CE1-CD1 3.78Å; L1132-L1187 HydrophobicContact CD1-CD2 3.41Å; L1132-L1187 VanDerWaalsContact CD1-CD2 3.41Å; F1134-L1187 HydrophobicContact CZ-CD2 4.46Å; L1139-L1187 HydrophobicContact CD2-CD1 3.74Å; L1139-L1187 HydrophobicContact CD2-CD2 3.58Å; L1139-L1187 HydrophobicContact CD2-CG 4.28Å; I1152-L1187 HydrophobicContact CD1-CD1 3.91Å; I1168-L1187 HydrophobicContact CB-CB 4.02Å; I1168-L1187 HydrophobicContact CD1-CD2 4.27Å; I1168-L1187 HydrophobicContact CG2-CB 3.88Å; I1168-L1187 HydrophobicContact CG2-CD2 4.26Å; I1168-L1187 PolarHBondContact O-N 2.89Å; L1187-H1190 HydrophobicContact CD2-CB 4.26Å |
| 1188 | V | 83.3 | Confident | 72.1 | Confident | 55 Ų | 55 | 55.4 Ų | 55.4 | 33% | 0.333 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 150.2 | -177.2 | -179 | 0 | 0 | 0 | 0 | 109.4 | A855 C856 M858 I1186 H1190 | A855-V1188 CarbonylContact C-O 3.59Å; A855-V1188 WeakPolarHBondContact CA-O 3.44Å; A855-V1188 WeakPolarHBondContact CB-O 3.27Å; C856-V1188 PolarHBondContact N-O 3.29Å; C856-V1188 PolarHBondContact O-N 2.67Å; M858-V1188 HydrophobicContact CB-CG2 3.99Å; M858-V1188 HydrophobicContact CE-CB 4.3Å; M858-V1188 HydrophobicContact CE-CG1 4.2Å; M858-V1188 HydrophobicContact CE-CG2 3.94Å; M858-V1188 HydrophobicContact SD-CG2 4.17Å; I1186-V1188 HydrophobicContact CB-CG2 4.28Å; I1186-V1188 HydrophobicContact CG2-CG2 3.89Å; V1188-H1190 VanDerWaalsContact C-N 3.34Å |
| 1189 | G | 67.3 | Low | 72 | Confident | 24 Ų | 24 | 53.7 Ų | 53.7 | 25% | 0.247 | 30% | 0.304 | C | S | . | . | S | Bend | trans | 83 | 8.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 1190 | H | 60.2 | Low | 71.5 | Confident | 17 Ų | 17 | 45.9 Ų | 45.9 | 8% | 0.079 | 27% | 0.268 | C | S | . | . | trans | -79.9 | 132.1 | 168.4 | -168.8 | -78.2 | 0 | 0 | 0 | 111 | A855 L1127 Q1150 L1187 V1188 D1192 | A855-H1190 HydrophobicContact CB-CB 4.01Å; L1127-H1190 WeakPolarHBondContact CD1-CE1 3.34Å; L1127-H1190 VanDerWaalsContact CD1-NE2 3.29Å; L1127-H1190 WeakPolarHBondContact CD1-NE2 3.23Å; Q1150-H1190 PolarHBondContact OE1-CD2 3.42Å; L1187-H1190 HydrophobicContact CD2-CB 4.26Å; V1188-H1190 VanDerWaalsContact C-N 3.34Å; H1190-D1192 WeakPolarHBondContact ND1-CB 3.3Å; H1190-D1192 PolarHBondContact ND1-N 2.84Å; H1190-D1192 PolarHBondContact O-N 3.3Å | ||
| 1191 | E | 46.9 | Very low | 70.5 | Confident | 180 Ų | 180 | 47.5 Ų | 47.5 | 84% | 0.841 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | 70.6 | 173.5 | -67.1 | -166.5 | 174.3 | 0 | 0 | 111.4 | ||
| 1192 | D | 42.2 | Very low | 69.2 | Low | 62 Ų | 62 | 44.5 Ų | 44.5 | 33% | 0.332 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -142.7 | 17.6 | 163 | -141.5 | 52.9 | 0 | 0 | 0 | 110.7 | L1127 H1128 H1190 S1194 | L1127-D1192 WeakPolarHBondContact CA-OD1 3.41Å; L1127-D1192 WeakPolarHBondContact CA-OD2 3.32Å; L1127-D1192 WeakPolarHBondContact CB-OD1 3.47Å; L1127-D1192 HydrophobicContact CD2-CB 3.84Å; H1128-D1192 PolarHBondContact N-OD1 3.04Å; H1190-D1192 WeakPolarHBondContact ND1-CB 3.3Å; H1190-D1192 PolarHBondContact ND1-N 2.84Å; H1190-D1192 PolarHBondContact O-N 3.3Å; D1192-S1194 PolarHBondContact O-N 3.03Å |
| 1193 | S | 30.2 | Very low | 67.5 | Low | 93 Ų | 93 | 48.2 Ų | 48.2 | 65% | 0.65 | 28% | 0.283 | S | S | * | . | trans | -76.9 | 97.5 | 167.3 | -55.6 | 0 | 0 | 0 | 0 | 108.7 | D738 | D738-S1193 WeakPolarHBondContact OD2-CB 3.49Š| ||
| 1194 | S | 25.1 | Very low | 65.3 | Low | 82 Ų | 82 | 49.6 Ų | 49.6 | 57% | 0.573 | 29% | 0.293 | S | S | * | . | trans | -143.7 | 0 | -177.1 | 70.8 | 0 | 0 | 0 | 0 | 113.6 | T735 S736 D738 D1192 | T735-S1194 VanDerWaalsContact CB-C 3.46Å; T735-S1194 WeakPolarHBondContact CB-O 3.23Å; T735-S1194 WeakPolarHBondContact CB-OXT 3.3Å; T735-S1194 PolarHBondContact OG1-OXT 3.05Å; S736-S1194 PolarHBondContact N-O 3.2Å; S736-S1194 VanDerWaalsContact N-O 3.09Å; S736-S1194 PolarHBondContact N-OXT 3.22Å; D738-S1194 PolarHBondContact OD2-N 3.44Å; D1192-S1194 PolarHBondContact O-N 3.03Å |
Retrieved 1,194 of 1,194 residues in 729.1 ms
(Link to these results)