| 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 | S | 86.1 | Confident | 91.3 | Very high | 27 Ų | 27 | 49.5 Ų | 49.5 | 19% | 0.189 | 25% | 0.253 | C | S | . | . | 0 | -178.7 | 0 | 59.9 | 0 | 0 | 0 | 0 | 110 | E4 C5 E38 | S1-E4 PolarHBondContact N-OE2 3.14Å; S1-E4 WeakPolarHBondContact OG-CB 3.47Å; S1-E4 PolarHBondContact OG-N 3.12Å; S1-C5 PolarHBondContact O-N 2.85Å; S1-E38 VanDerWaalsContact CB-CD 3.5Å; S1-E38 WeakPolarHBondContact CB-OE1 3.23Å; S1-E38 PolarHBondContact OG-OE1 2.96Å | |||
| 2 | C | 93 | Very high | 90.9 | Very high | 32 Ų | 32 | 53.2 Ų | 53.2 | 22% | 0.216 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -67.4 | -40.6 | 175.6 | -72.9 | 0 | 0 | 0 | 0 | 113 | E4 C5 L6 C21 L24 | C2-E4 VanDerWaalsContact C-N 3.27Å; C2-E4 PolarHBondContact O-N 3.21Å; C2-C5 PolarHBondContact O-N 3.47Å; C2-L6 VanDerWaalsContact O-CB 3.27Å; C2-L6 WeakPolarHBondContact O-CB 3.45Å; C2-L6 WeakPolarHBondContact O-CD1 3.26Å; C2-L6 VanDerWaalsContact O-CG 3.22Å; C2-L6 WeakPolarHBondContact O-CG 3.27Å; C2-L6 PolarHBondContact O-N 2.69Å; C2-C21 WeakPolarHBondContact CA-SG 3.42Å; C2-C21 HydrophobicContact CB-CB 3.84Å; C2-C21 WeakPolarHBondContact CB-SG 3.39Å; C2-C21 WeakPolarHBondContact SG-CB 3.37Å; C2-C21 CovalentContact SG-SG 2.02Å; C2-C21 PolarHBondContact SG-SG 2.9Å; C2-L24 HydrophobicContact CB-CD2 4.37Å |
| 3 | A | 94.1 | Very high | 90.7 | Very high | 1 Ų | 1 | 54.6 Ų | 54.6 | 1% | 0.008 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.4 | -41.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | K7 E38 V46 Y48 I61 V63 | A3-K7 WeakPolarHBondContact O-CB 3.37Å; A3-K7 PolarHBondContact O-N 3.03Å; A3-K7 VanDerWaalsContact O-N 3.16Å; A3-E38 WeakPolarHBondContact CB-OE1 3.44Å; A3-V46 HydrophobicContact CB-CG1 4.11Å; A3-Y48 HydrophobicContact CB-CD1 3.71Å; A3-Y48 HydrophobicContact CB-CE1 4.03Å; A3-Y48 HydrophobicContact CB-CG 4.11Å; A3-I61 HydrophobicContact CB-CD1 3.87Å; A3-V63 HydrophobicContact CB-CG2 4.01Å |
| 4 | E | 93.3 | Very high | 90.3 | Very high | 3 Ų | 3 | 52.9 Ų | 52.9 | 1% | 0.014 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65 | -49.6 | 179.9 | -177.5 | -174.5 | -159.7 | 0 | 0 | 113 | S1 C2 F8 K10 G11 D40 S41 | S1-E4 PolarHBondContact N-OE2 3.14Å; S1-E4 WeakPolarHBondContact OG-CB 3.47Å; S1-E4 PolarHBondContact OG-N 3.12Å; C2-E4 VanDerWaalsContact C-N 3.27Å; C2-E4 PolarHBondContact O-N 3.21Å; E4-F8 WeakPolarHBondContact O-CA 3.25Å; E4-F8 WeakPolarHBondContact O-CB 3.24Å; E4-F8 PolarHBondContact O-N 2.77Å; E4-K10 HydrophobicContact CG-CB 4.36Å; E4-G11 VanDerWaalsContact CD-CA 3.45Å; E4-G11 WeakPolarHBondContact OE1-CA 3.49Å; E4-G11 WeakPolarHBondContact OE2-CA 3.46Å; E4-D40 HydrophobicContact CG-CB 4.15Å; E4-S41 VanDerWaalsContact OE1-CB 3.24Å; E4-S41 WeakPolarHBondContact OE1-CB 3.23Å; E4-S41 PolarHBondContact OE1-N 2.71Å; E4-S41 PolarHBondContact OE1-OG 2.95Å; E4-S41 PolarHBondContact OE2-N 2.98Å |
| 5 | C | 94.1 | Very high | 90.2 | Very high | 4 Ų | 4 | 64 Ų | 64 | 3% | 0.027 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -72.3 | -35 | -177.6 | 72.9 | 0 | 0 | 0 | 0 | 112.4 | S1 C2 E9 K10 F13 C17 | S1-C5 PolarHBondContact O-N 2.85Å; C2-C5 PolarHBondContact O-N 3.47Å; C5-E9 VanDerWaalsContact O-CA 3.26Å; C5-E9 WeakPolarHBondContact O-CA 3.09Å; C5-E9 PolarHBondContact O-N 3.32Å; C5-E9 VanDerWaalsContact O-N 3.07Å; C5-K10 VanDerWaalsContact CA-O 3.25Å; C5-K10 WeakPolarHBondContact CA-O 3.44Å; C5-K10 WeakPolarHBondContact CB-O 3.2Å; C5-F13 HydrophobicContact CB-CB 4.03Å; C5-C17 HydrophobicContact CB-CB 3.69Å; C5-C17 WeakPolarHBondContact CB-SG 3.14Å; C5-C17 WeakPolarHBondContact SG-CB 3.41Å; C5-C17 CovalentContact SG-SG 2.04Å; C5-C17 PolarHBondContact SG-SG 2.97Å |
| 6 | L | 93.4 | Very high | 90.4 | Very high | 39 Ų | 39 | 65.1 Ų | 65.1 | 20% | 0.204 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -68.7 | -40.8 | 179.8 | -73.3 | 169.8 | 0 | 0 | 0 | 112 | C2 C17 L24 L26 I61 | C2-L6 VanDerWaalsContact O-CB 3.27Å; C2-L6 WeakPolarHBondContact O-CB 3.45Å; C2-L6 WeakPolarHBondContact O-CD1 3.26Å; C2-L6 VanDerWaalsContact O-CG 3.22Å; C2-L6 WeakPolarHBondContact O-CG 3.27Å; C2-L6 PolarHBondContact O-N 2.69Å; L6-C17 PolarHBondContact N-SG 3.39Å; L6-C17 VanDerWaalsContact N-SG 3.39Å; L6-L24 HydrophobicContact CD1-CB 3.97Å; L6-L24 HydrophobicContact CD1-CD2 4.3Å; L6-L26 HydrophobicContact CB-CD1 4.42Å; L6-I61 HydrophobicContact CD1-CG2 3.68Å |
| 7 | K | 93.3 | Very high | 90.5 | Very high | 55 Ų | 55 | 62.3 Ų | 62.3 | 24% | 0.239 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -89.4 | -38.4 | -176.6 | -175.2 | 65.4 | 175.5 | -174.1 | 0 | 113.5 | A3 L26 V63 E65 | A3-K7 WeakPolarHBondContact O-CB 3.37Å; A3-K7 PolarHBondContact O-N 3.03Å; A3-K7 VanDerWaalsContact O-N 3.16Å; K7-L26 HydrophobicContact CB-CD1 4.45Å; K7-L26 HydrophobicContact CD-CD1 4.42Å; K7-L26 HydrophobicContact CD-CD2 4.21Å; K7-V63 HydrophobicContact CB-CB 3.99Å; K7-V63 HydrophobicContact CB-CG1 4.15Å; K7-V63 HydrophobicContact CB-CG2 3.96Å; K7-V63 HydrophobicContact CD-CB 4.29Å; K7-V63 HydrophobicContact CG-CB 3.96Å; K7-V63 HydrophobicContact CG-CG1 4.03Å; K7-V63 HydrophobicContact CG-CG2 4.48Å; K7-E65 IonicContact NZ-OE1 3.88Å; K7-E65 PolarHBondContact NZ-OE1 3.22Å |
| 8 | F | 90.4 | Very high | 90.5 | Very high | 83 Ų | 83 | 64.9 Ų | 64.9 | 36% | 0.364 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -114.7 | -1.6 | -170 | -51 | -66.4 | 0 | 0 | 0 | 113.9 | E4 K10 V46 V63 | E4-F8 WeakPolarHBondContact O-CA 3.25Å; E4-F8 WeakPolarHBondContact O-CB 3.24Å; E4-F8 PolarHBondContact O-N 2.77Å; F8-K10 HydrophobicContact CB-CB 4.29Å; F8-K10 WeakPolarHBondContact O-CG 3.44Å; F8-K10 PolarHBondContact O-N 2.92Å; F8-K10 VanDerWaalsContact O-N 3.14Å; F8-V46 HydrophobicContact CE2-CG2 4.36Å; F8-V63 HydrophobicContact CE2-CG1 4.4Å; F8-V63 HydrophobicContact CZ-CG1 4.41Å |
| 9 | E | 89.1 | Confident | 90.7 | Very high | 168 Ų | 168 | 65.8 Ų | 65.8 | 79% | 0.785 | 37% | 0.367 | S | S | * | . | S | Bend | trans | 55.5 | 29 | -176.4 | -56.5 | -174.8 | 162.6 | 0 | 0 | 113.2 | C5 | C5-E9 VanDerWaalsContact O-CA 3.26Å; C5-E9 WeakPolarHBondContact O-CA 3.09Å; C5-E9 PolarHBondContact O-N 3.32Å; C5-E9 VanDerWaalsContact O-N 3.07Å |
| 10 | K | 89.6 | Confident | 90.9 | Very high | 105 Ų | 105 | 64.2 Ų | 64.2 | 46% | 0.457 | 36% | 0.363 | S | S | . | . | trans | -123.3 | 179.3 | -174.1 | -80.8 | -176.4 | 179.8 | -171.2 | 0 | 112.5 | E4 C5 F8 E42 | E4-K10 HydrophobicContact CG-CB 4.36Å; C5-K10 VanDerWaalsContact CA-O 3.25Å; C5-K10 WeakPolarHBondContact CA-O 3.44Å; C5-K10 WeakPolarHBondContact CB-O 3.2Å; F8-K10 HydrophobicContact CB-CB 4.29Å; F8-K10 WeakPolarHBondContact O-CG 3.44Å; F8-K10 PolarHBondContact O-N 2.92Å; F8-K10 VanDerWaalsContact O-N 3.14Å; K10-E42 IonicContact NZ-OE1 3.47Å | ||
| 11 | G | 88 | Confident | 91 | Very high | 27 Ų | 27 | 61.3 Ų | 61.3 | 28% | 0.278 | 35% | 0.347 | S | S | . | . | S | Bend | trans | 83.7 | -172.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | E4 F13 G14 | E4-G11 VanDerWaalsContact CD-CA 3.45Å; E4-G11 WeakPolarHBondContact OE1-CA 3.49Å; E4-G11 WeakPolarHBondContact OE2-CA 3.46Å; G11-F13 PolarHBondContact O-N 2.81Å; G11-G14 PolarHBondContact O-N 3.07Å |
| 12 | P | 86.6 | Confident | 91.4 | Very high | 94 Ų | 94 | 64.5 Ų | 64.5 | 61% | 0.61 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -21.6 | -173.1 | 23.8 | -34.3 | 0 | 0 | 0 | 113.6 | ||
| 13 | F | 88.7 | Confident | 91.4 | Very high | 72 Ų | 72 | 64.9 Ų | 64.9 | 32% | 0.316 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | 9.6 | 179.6 | -53.8 | -46.4 | 0 | 0 | 0 | 113.8 | C5 G11 K15 N16 C17 A20 | C5-F13 HydrophobicContact CB-CB 4.03Å; G11-F13 PolarHBondContact O-N 2.81Å; F13-K15 PolarHBondContact O-N 3.16Å; F13-N16 WeakPolarHBondContact CA-OD1 3.45Å; F13-N16 CarbonylContact O-C 3.56Å; F13-N16 PolarHBondContact O-N 3.39Å; F13-N16 PolarHBondContact O-OD1 3.03Å; F13-C17 VanDerWaalsContact O-CA 3.24Å; F13-C17 WeakPolarHBondContact O-CA 3.34Å; F13-C17 WeakPolarHBondContact O-CB 3.11Å; F13-C17 PolarHBondContact O-N 3.47Å; F13-A20 HydrophobicContact CB-CB 3.96Å; F13-A20 HydrophobicContact CD1-CB 3.53Å; F13-A20 HydrophobicContact CD2-CB 4.09Å; F13-A20 HydrophobicContact CE1-CB 3.99Å; F13-A20 HydrophobicContact CE2-CB 4.49Å; F13-A20 HydrophobicContact CG-CB 3.6Å; F13-A20 HydrophobicContact CZ-CB 4.45Å |
| 14 | G | 84.7 | Confident | 91.5 | Very high | 31 Ų | 31 | 67.2 Ų | 67.2 | 32% | 0.32 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -31 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | G11 | G11-G14 PolarHBondContact O-N 3.07Š|
| 15 | K | 88 | Confident | 91.6 | Very high | 219 Ų | 219 | 73.5 Ų | 73.5 | 95% | 0.952 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | -17.3 | 179.1 | -64.6 | -174.3 | 179.9 | -178.4 | 0 | 115 | F13 | F13-K15 PolarHBondContact O-N 3.16Š|
| 16 | N | 93.5 | Very high | 91.7 | Very high | 82 Ų | 82 | 75.6 Ų | 75.6 | 44% | 0.439 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -137.1 | 28.3 | -173.6 | 69.5 | -19.1 | 0 | 0 | 0 | 112.6 | F13 S18 A19 A20 | F13-N16 WeakPolarHBondContact CA-OD1 3.45Å; F13-N16 CarbonylContact O-C 3.56Å; F13-N16 PolarHBondContact O-N 3.39Å; F13-N16 PolarHBondContact O-OD1 3.03Å; N16-S18 VanDerWaalsContact C-N 3.32Å; N16-S18 PolarHBondContact O-N 2.55Å; N16-A19 PolarHBondContact O-N 2.83Å; N16-A20 PolarHBondContact O-N 2.92Å |
| 17 | C | 93 | Very high | 91.8 | Very high | 17 Ų | 17 | 74.7 Ų | 74.7 | 12% | 0.115 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -54.1 | -45.7 | -170.5 | -169.8 | 0 | 0 | 0 | 0 | 112.2 | C5 L6 F13 A19 A20 C21 | C5-C17 HydrophobicContact CB-CB 3.69Å; C5-C17 WeakPolarHBondContact CB-SG 3.14Å; C5-C17 WeakPolarHBondContact SG-CB 3.41Å; C5-C17 CovalentContact SG-SG 2.04Å; C5-C17 PolarHBondContact SG-SG 2.97Å; L6-C17 PolarHBondContact N-SG 3.39Å; L6-C17 VanDerWaalsContact N-SG 3.39Å; F13-C17 VanDerWaalsContact O-CA 3.24Å; F13-C17 WeakPolarHBondContact O-CA 3.34Å; F13-C17 WeakPolarHBondContact O-CB 3.11Å; F13-C17 PolarHBondContact O-N 3.47Å; C17-A19 VanDerWaalsContact C-N 3.28Å; C17-A19 PolarHBondContact O-N 2.93Å; C17-A20 PolarHBondContact O-N 3.2Å; C17-C21 WeakPolarHBondContact O-CB 3.38Å; C17-C21 PolarHBondContact O-N 3.29Å |
| 18 | S | 90.5 | Very high | 91.9 | Very high | 110 Ų | 110 | 78.7 Ų | 78.7 | 77% | 0.769 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -63.3 | -31.3 | 179.2 | -44.8 | 0 | 0 | 0 | 0 | 113.8 | N16 | N16-S18 VanDerWaalsContact C-N 3.32Å; N16-S18 PolarHBondContact O-N 2.55Å |
| 19 | A | 93.8 | Very high | 92.1 | Very high | 81 Ų | 81 | 80.2 Ų | 80.2 | 67% | 0.669 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -83 | -33.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | N16 C17 | N16-A19 PolarHBondContact O-N 2.83Å; C17-A19 VanDerWaalsContact C-N 3.28Å; C17-A19 PolarHBondContact O-N 2.93Å |
| 20 | A | 93.9 | Very high | 92.3 | Very high | 34 Ų | 34 | 76.9 Ų | 76.9 | 28% | 0.281 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -77.9 | -26.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | F13 N16 C17 P22 | F13-A20 HydrophobicContact CB-CB 3.96Å; F13-A20 HydrophobicContact CD1-CB 3.53Å; F13-A20 HydrophobicContact CD2-CB 4.09Å; F13-A20 HydrophobicContact CE1-CB 3.99Å; F13-A20 HydrophobicContact CE2-CB 4.49Å; F13-A20 HydrophobicContact CG-CB 3.6Å; F13-A20 HydrophobicContact CZ-CB 4.45Å; N16-A20 PolarHBondContact O-N 2.92Å; C17-A20 PolarHBondContact O-N 3.2Å; A20-P22 VanDerWaalsContact O-CD 3.28Å; A20-P22 WeakPolarHBondContact O-CD 3.45Å |
| 21 | C | 94.2 | Very high | 92.7 | Very high | 4 Ų | 4 | 72.9 Ų | 72.9 | 3% | 0.027 | 44% | 0.438 | C | S | . | . | S | Bend | trans | -121.5 | 57 | -176.4 | -53.3 | 0 | 0 | 0 | 0 | 111.1 | C2 C17 L24 | C2-C21 WeakPolarHBondContact CA-SG 3.42Å; C2-C21 HydrophobicContact CB-CB 3.84Å; C2-C21 WeakPolarHBondContact CB-SG 3.39Å; C2-C21 WeakPolarHBondContact SG-CB 3.37Å; C2-C21 CovalentContact SG-SG 2.02Å; C2-C21 PolarHBondContact SG-SG 2.9Å; C17-C21 WeakPolarHBondContact O-CB 3.38Å; C17-C21 PolarHBondContact O-N 3.29Å; C21-L24 HydrophobicContact CB-CD1 4.47Å; C21-L24 PolarHBondContact O-N 2.91Å |
| 22 | P | 94.2 | Very high | 93 | Very high | 93 Ų | 93 | 80.1 Ų | 80.1 | 60% | 0.604 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | 140.4 | -178.2 | 29.9 | -35.3 | 0 | 0 | 0 | 110.3 | A20 L24 | A20-P22 VanDerWaalsContact O-CD 3.28Å; A20-P22 WeakPolarHBondContact O-CD 3.45Å; P22-L24 PolarHBondContact O-N 2.88Å |
| 23 | G | 93.8 | Very high | 93.3 | Very high | 41 Ų | 41 | 78.2 Ų | 78.2 | 42% | 0.423 | 46% | 0.46 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77 | -4.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | R58 Y59 | G23-R58 WeakPolarHBondContact O-CA 3.24Å; G23-Y59 PolarHBondContact O-N 3.41Å |
| 24 | L | 95.8 | Very high | 93.7 | Very high | 49 Ų | 49 | 84 Ų | 84 | 26% | 0.257 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 134.7 | 168.2 | -80 | 93.7 | 0 | 0 | 0 | 110.9 | C2 L6 C21 P22 L50 Y59 I61 | C2-L24 HydrophobicContact CB-CD2 4.37Å; L6-L24 HydrophobicContact CD1-CB 3.97Å; L6-L24 HydrophobicContact CD1-CD2 4.3Å; C21-L24 HydrophobicContact CB-CD1 4.47Å; C21-L24 PolarHBondContact O-N 2.91Å; P22-L24 PolarHBondContact O-N 2.88Å; L24-L50 HydrophobicContact CD2-CD2 4.15Å; L24-Y59 WeakPolarHBondContact CA-O 3.35Å; L24-I61 HydrophobicContact CD2-CB 4.18Å; L24-I61 HydrophobicContact CD2-CD1 4.1Å; L24-I61 HydrophobicContact CD2-CG2 4.12Å |
| 25 | Q | 95.7 | Very high | 94.2 | Very high | 136 Ų | 136 | 87.2 Ų | 87.2 | 64% | 0.636 | 49% | 0.493 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 127.4 | 173.3 | -178.2 | 176 | -4.1 | 0 | 0 | 109.9 | S27 Y59 L60 I61 | Q25-S27 PolarHBondContact O-N 3.19Å; Q25-Y59 PolarHBondContact N-O 3.04Å; Q25-L60 HydrophobicContact CB-CD2 4.05Å; Q25-L60 HydrophobicContact CG-CD2 4.23Å; Q25-L60 WeakPolarHBondContact O-CA 3.39Å; Q25-I61 PolarHBondContact O-N 3.45Å |
| 26 | L | 95.8 | Very high | 94.5 | Very high | 48 Ų | 48 | 78.2 Ų | 78.2 | 25% | 0.251 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 127.1 | 177.3 | -173.7 | 72.7 | 0 | 0 | 0 | 109.8 | L6 K7 I61 V63 | L6-L26 HydrophobicContact CB-CD1 4.42Å; K7-L26 HydrophobicContact CB-CD1 4.45Å; K7-L26 HydrophobicContact CD-CD1 4.42Å; K7-L26 HydrophobicContact CD-CD2 4.21Å; L26-I61 CarbonylContact C-O 3.58Å; L26-I61 WeakPolarHBondContact CA-O 3.28Å; L26-I61 HydrophobicContact CD1-CG2 4.3Å; L26-V63 HydrophobicContact CD1-CG2 4.09Å |
| 27 | S | 96.2 | Very high | 94.5 | Very high | 20 Ų | 20 | 80.7 Ų | 80.7 | 14% | 0.14 | 46% | 0.464 | C | S | . | . | trans | -93.2 | 135.4 | 170.7 | -177.7 | 0 | 0 | 0 | 0 | 110 | Q25 N29 V31 I61 | Q25-S27 PolarHBondContact O-N 3.19Å; S27-N29 VanDerWaalsContact C-N 3.3Å; S27-N29 WeakPolarHBondContact CB-O 3.32Å; S27-N29 PolarHBondContact OG-N 3.34Å; S27-N29 PolarHBondContact OG-O 2.92Å; S27-V31 WeakPolarHBondContact OG-CG1 3.45Å; S27-I61 PolarHBondContact N-O 2.85Å | ||
| 28 | N | 93.9 | Very high | 94.5 | Very high | 138 Ų | 138 | 82.1 Ų | 82.1 | 74% | 0.738 | 47% | 0.469 | S | S | * | . | S | Bend | trans | -78.5 | -18.5 | 172.5 | -65.7 | -26.6 | 0 | 0 | 0 | 112.5 | ||
| 29 | N | 94.4 | Very high | 94.6 | Very high | 116 Ų | 116 | 84.7 Ų | 84.7 | 62% | 0.62 | 46% | 0.462 | S | S | * | . | S | Bend | trans | -113.6 | 150.4 | -179.1 | -63.9 | -34.8 | 0 | 0 | 0 | 110.5 | S27 V31 Y62 | S27-N29 VanDerWaalsContact C-N 3.3Å; S27-N29 WeakPolarHBondContact CB-O 3.32Å; S27-N29 PolarHBondContact OG-N 3.34Å; S27-N29 PolarHBondContact OG-O 2.92Å; N29-V31 PolarHBondContact O-N 2.92Å; N29-Y62 VanDerWaalsContact O-CD2 3.23Å; N29-Y62 WeakPolarHBondContact O-CD2 3.43Å |
| 30 | P | 95.1 | Very high | 94.5 | Very high | 97 Ų | 97 | 81.4 Ų | 81.4 | 63% | 0.63 | 43% | 0.433 | S | S | * | . | trans | -53 | 131.1 | 170.7 | -24.7 | 33.1 | 0 | 0 | 0 | 111.3 | Y62 | P30-Y62 HydrophobicContact CB-CD1 4.35Å; P30-Y62 HydrophobicContact CB-CE1 4.2Å; P30-Y62 HydrophobicContact CG-CE1 4.08Å; P30-Y62 HydrophobicContact CG-CE2 4.07Å | ||
| 31 | V | 96.3 | Very high | 94.4 | Very high | 22 Ų | 22 | 83.5 Ų | 83.5 | 13% | 0.133 | 45% | 0.446 | C | S | . | . | trans | -106.8 | 164.7 | 177.1 | -58.7 | 0 | 0 | 0 | 0 | 110.3 | S27 N29 T49 E51 L60 | S27-V31 WeakPolarHBondContact OG-CG1 3.45Å; N29-V31 PolarHBondContact O-N 2.92Å; V31-T49 HydrophobicContact CG2-CG2 3.99Å; V31-E51 HydrophobicContact CB-CB 3.81Å; V31-E51 HydrophobicContact CG2-CB 3.77Å; V31-L60 HydrophobicContact CG1-CB 4.13Å; V31-L60 HydrophobicContact CG1-CD1 4.27Å | ||
| 32 | K | 94.2 | Very high | 94.2 | Very high | 178 Ų | 178 | 88.6 Ų | 88.6 | 77% | 0.774 | 47% | 0.469 | S | S | * | . | trans | -98.1 | 134.8 | 175.7 | -67.5 | -179.2 | -177.8 | 176 | 0 | 109.3 | E51 | K32-E51 PolarHBondContact N-OE2 3.23Å; K32-E51 WeakPolarHBondContact O-CB 3.45Å; K32-E51 WeakPolarHBondContact O-CG 3.36Å; K32-E51 VanDerWaalsContact O-OE2 3.13Å | ||
| 33 | G | 94.6 | Very high | 94.1 | Very high | 55 Ų | 55 | 86 Ų | 86 | 57% | 0.567 | 46% | 0.46 | S | S | * | . | S | Bend | trans | 156.4 | -145.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | T35 L50 | G33-T35 PolarHBondContact O-N 2.78Å; G33-L50 CarbonylContact C-O 3.53Å; G33-L50 WeakPolarHBondContact CA-O 3.42Å |
| 34 | R | 95.8 | Very high | 93.9 | Very high | 193 Ų | 193 | 86.5 Ų | 86.5 | 73% | 0.728 | 46% | 0.456 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 117.7 | -174.8 | -173.6 | 177.3 | -178.4 | 173.7 | 0.9 | 110.1 | T49 L50 | R34-T49 WeakPolarHBondContact O-CA 3.39Å; R34-L50 PolarHBondContact N-O 2.97Å; R34-L50 PolarHBondContact O-N 2.9Å |
| 35 | T | 95.8 | Very high | 93.8 | Very high | 99 Ų | 99 | 90.7 Ų | 90.7 | 61% | 0.607 | 47% | 0.468 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 133.2 | 170.2 | -55.4 | 0 | 0 | 0 | 0 | 110.5 | G33 Y48 T49 | G33-T35 PolarHBondContact O-N 2.78Å; T35-Y48 CarbonylContact C-O 3.56Å; T35-Y48 WeakPolarHBondContact CA-O 2.91Å; T35-T49 PolarHBondContact OG1-OG1 3.29Å |
| 36 | C | 94.3 | Very high | 93.6 | Very high | 29 Ų | 29 | 84.5 Ų | 84.5 | 20% | 0.196 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 157 | -179.1 | -67.9 | 0 | 0 | 0 | 0 | 109.3 | A47 Y48 | C36-A47 WeakPolarHBondContact O-CA 3.32Å; C36-Y48 HydrophobicContact CB-CD1 4.41Å; C36-Y48 HydrophobicContact CB-CD2 4.05Å; C36-Y48 HydrophobicContact CB-CE1 3.93Å; C36-Y48 HydrophobicContact CB-CE2 3.53Å; C36-Y48 HydrophobicContact CB-CG 4.47Å; C36-Y48 VanDerWaalsContact CB-CZ 3.48Å; C36-Y48 PolarHBondContact N-O 2.85Å; C36-Y48 PolarHBondContact O-N 3.47Å |
| 37 | K | 93.8 | Very high | 93.6 | Very high | 135 Ų | 135 | 83.7 Ų | 83.7 | 59% | 0.587 | 44% | 0.44 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -141 | 130.4 | 176.6 | -168 | 176.2 | -178.3 | 173.3 | 0 | 109.5 | W45 V46 A47 | K37-W45 HydrophobicContact CD-CD2 4.39Å; K37-W45 HydrophobicContact CD-CE3 4.13Å; K37-W45 VanDerWaalsContact CE-CG 3.45Å; K37-W45 HydrophobicContact CG-CD2 4.41Å; K37-W45 HydrophobicContact CG-CE3 3.73Å; K37-W45 HydrophobicContact CG-CZ3 4.31Å; K37-V46 WeakPolarHBondContact CA-O 3.09Å; K37-A47 HydrophobicContact CG-CB 4.5Å |
| 38 | E | 93.1 | Very high | 93.6 | Very high | 46 Ų | 46 | 84.3 Ų | 84.3 | 22% | 0.215 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 166.3 | -178.1 | 72.6 | -169.4 | -177.6 | 0 | 0 | 111.4 | S1 A3 V46 Y48 | S1-E38 VanDerWaalsContact CB-CD 3.5Å; S1-E38 WeakPolarHBondContact CB-OE1 3.23Å; S1-E38 PolarHBondContact OG-OE1 2.96Å; A3-E38 WeakPolarHBondContact CB-OE1 3.44Å; E38-V46 PolarHBondContact N-O 3.37Å; E38-V46 PolarHBondContact O-N 3.37Å; E38-Y48 HydrophobicContact CB-CE1 4.45Å; E38-Y48 VanDerWaalsContact CD-CE1 3.45Å; E38-Y48 HydrophobicContact CG-CE1 3.82Å; E38-Y48 PolarHBondContact OE2-OH 3.07Å |
| 39 | R | 92.7 | Very high | 93.7 | Very high | 164 Ų | 164 | 78.8 Ų | 78.8 | 62% | 0.619 | 41% | 0.411 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 133.6 | 172.1 | -62.5 | -142.4 | -62.2 | -154.4 | -1.4 | 111 | G43 C44 W45 | R39-G43 WeakPolarHBondContact CD-O 3.34Å; R39-C44 CarbonylContact C-O 3.58Å; R39-C44 VanDerWaalsContact CA-O 3.23Å; R39-C44 WeakPolarHBondContact CA-O 3.22Å; R39-W45 HydrophobicContact CG-CD2 3.91Å; R39-W45 HydrophobicContact CG-CE3 3.62Å; R39-W45 HydrophobicContact CG-CH2 3.86Å; R39-W45 HydrophobicContact CG-CZ2 4.11Å; R39-W45 HydrophobicContact CG-CZ3 3.6Å |
| 40 | D | 91.1 | Very high | 93.9 | Very high | 13 Ų | 13 | 75.3 Ų | 75.3 | 7% | 0.07 | 39% | 0.392 | C | S | . | . | trans | -74.9 | 178.5 | 173 | 69.6 | 16.6 | 0 | 0 | 0 | 111.8 | E4 E42 G43 C44 V46 R67 | E4-D40 HydrophobicContact CG-CB 4.15Å; D40-E42 PolarHBondContact O-N 2.8Å; D40-E42 WeakPolarHBondContact OD1-CA 3.42Å; D40-E42 WeakPolarHBondContact OD1-CB 2.95Å; D40-E42 PolarHBondContact OD1-N 2.5Å; D40-G43 PolarHBondContact O-N 2.88Å; D40-G43 PolarHBondContact OD1-N 2.93Å; D40-C44 PolarHBondContact N-O 2.04Å; D40-C44 PolarHBondContact OD1-N 2.02Å; D40-C44 WeakPolarHBondContact OD2-CB 3.08Å; D40-V46 HydrophobicContact CB-CG2 3.83Å; D40-R67 IonicContact OD2-NH2 2.85Å; D40-R67 PolarHBondContact OD2-NH2 3.18Å | ||
| 41 | S | 91.4 | Very high | 94 | Very high | 78 Ų | 78 | 73.3 Ų | 73.3 | 55% | 0.545 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -16.4 | 179.5 | 67.4 | 0 | 0 | 0 | 0 | 114 | E4 G43 | E4-S41 VanDerWaalsContact OE1-CB 3.24Å; E4-S41 WeakPolarHBondContact OE1-CB 3.23Å; E4-S41 PolarHBondContact OE1-N 2.71Å; E4-S41 PolarHBondContact OE1-OG 2.95Å; E4-S41 PolarHBondContact OE2-N 2.98Å; S41-G43 VanDerWaalsContact C-N 3.34Å |
| 42 | E | 91.1 | Very high | 94 | Very high | 110 Ų | 110 | 78.3 Ų | 78.3 | 51% | 0.514 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -4.7 | 174.1 | -56.4 | -175.6 | 120 | 0 | 0 | 111.7 | K10 D40 C44 R67 | K10-E42 IonicContact NZ-OE1 3.47Å; D40-E42 PolarHBondContact O-N 2.8Å; D40-E42 WeakPolarHBondContact OD1-CA 3.42Å; D40-E42 WeakPolarHBondContact OD1-CB 2.95Å; D40-E42 PolarHBondContact OD1-N 2.5Å; E42-C44 VanDerWaalsContact C-N 3.34Å; E42-R67 IonicContact OE2-CZ 2.71Å; E42-R67 IonicContact OE2-NH2 3.86Å; E42-R67 PolarHBondContact OE2-NH2 2.86Å |
| 43 | G | 90.8 | Very high | 94.1 | Very high | 39 Ų | 39 | 73 Ų | 73 | 40% | 0.402 | 38% | 0.375 | S | S | . | . | S | Bend | trans | 81.7 | 8.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | R39 D40 S41 | R39-G43 WeakPolarHBondContact CD-O 3.34Å; D40-G43 PolarHBondContact O-N 2.88Å; D40-G43 PolarHBondContact OD1-N 2.93Å; S41-G43 VanDerWaalsContact C-N 3.34Å |
| 44 | C | 90.9 | Very high | 94 | Very high | 51 Ų | 51 | 78.1 Ų | 78.1 | 35% | 0.345 | 39% | 0.389 | S | S | . | . | trans | -82.5 | 157.8 | 173 | -64.1 | 0 | 0 | 0 | 0 | 110.8 | R39 D40 E42 | R39-C44 CarbonylContact C-O 3.58Å; R39-C44 VanDerWaalsContact CA-O 3.23Å; R39-C44 WeakPolarHBondContact CA-O 3.22Å; D40-C44 PolarHBondContact N-O 2.04Å; D40-C44 PolarHBondContact OD1-N 2.02Å; D40-C44 WeakPolarHBondContact OD2-CB 3.08Å; E42-C44 VanDerWaalsContact C-N 3.34Å | ||
| 45 | W | 92.2 | Very high | 93.8 | Very high | 137 Ų | 137 | 71.2 Ų | 71.2 | 52% | 0.519 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 136.4 | 175.6 | -73.5 | 110.7 | 0 | 0 | 0 | 111.3 | K37 R39 | K37-W45 HydrophobicContact CD-CD2 4.39Å; K37-W45 HydrophobicContact CD-CE3 4.13Å; K37-W45 VanDerWaalsContact CE-CG 3.45Å; K37-W45 HydrophobicContact CG-CD2 4.41Å; K37-W45 HydrophobicContact CG-CE3 3.73Å; K37-W45 HydrophobicContact CG-CZ3 4.31Å; R39-W45 HydrophobicContact CG-CD2 3.91Å; R39-W45 HydrophobicContact CG-CE3 3.62Å; R39-W45 HydrophobicContact CG-CH2 3.86Å; R39-W45 HydrophobicContact CG-CZ2 4.11Å; R39-W45 HydrophobicContact CG-CZ3 3.6Å |
| 46 | V | 92.9 | Very high | 93.5 | Very high | 7 Ų | 7 | 74.3 Ų | 74.3 | 4% | 0.042 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 125.8 | 171.7 | 179.3 | 0 | 0 | 0 | 0 | 108.2 | A3 F8 K37 E38 D40 V63 | A3-V46 HydrophobicContact CB-CG1 4.11Å; F8-V46 HydrophobicContact CE2-CG2 4.36Å; K37-V46 WeakPolarHBondContact CA-O 3.09Å; E38-V46 PolarHBondContact N-O 3.37Å; E38-V46 PolarHBondContact O-N 3.37Å; D40-V46 HydrophobicContact CB-CG2 3.83Å; V46-V63 HydrophobicContact CG1-CG1 3.67Å |
| 47 | A | 94.9 | Very high | 93.2 | Very high | 31 Ų | 31 | 77.6 Ų | 77.6 | 26% | 0.256 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 138.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | C36 K37 D64 | C36-A47 WeakPolarHBondContact O-CA 3.32Å; K37-A47 HydrophobicContact CG-CB 4.5Å; A47-D64 HydrophobicContact CB-CB 4.3Å; A47-D64 PolarHBondContact O-N 2.89Å |
| 48 | Y | 95.8 | Very high | 93.3 | Very high | 33 Ų | 33 | 78.3 Ų | 78.3 | 13% | 0.129 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 159 | 179.5 | 61.4 | -88.1 | 0 | 0 | 0 | 111.5 | A3 T35 C36 E38 L50 I61 Y62 | A3-Y48 HydrophobicContact CB-CD1 3.71Å; A3-Y48 HydrophobicContact CB-CE1 4.03Å; A3-Y48 HydrophobicContact CB-CG 4.11Å; T35-Y48 CarbonylContact C-O 3.56Å; T35-Y48 WeakPolarHBondContact CA-O 2.91Å; C36-Y48 HydrophobicContact CB-CD1 4.41Å; C36-Y48 HydrophobicContact CB-CD2 4.05Å; C36-Y48 HydrophobicContact CB-CE1 3.93Å; C36-Y48 HydrophobicContact CB-CE2 3.53Å; C36-Y48 HydrophobicContact CB-CG 4.47Å; C36-Y48 VanDerWaalsContact CB-CZ 3.48Å; C36-Y48 PolarHBondContact N-O 2.85Å; C36-Y48 PolarHBondContact O-N 3.47Å; E38-Y48 HydrophobicContact CB-CE1 4.45Å; E38-Y48 VanDerWaalsContact CD-CE1 3.45Å; E38-Y48 HydrophobicContact CG-CE1 3.82Å; E38-Y48 PolarHBondContact OE2-OH 3.07Å; Y48-L50 HydrophobicContact CD2-CD2 4.13Å; Y48-L50 HydrophobicContact CD2-CG 3.99Å; Y48-L50 HydrophobicContact CE2-CD1 4.02Å; Y48-L50 HydrophobicContact CE2-CD2 4.16Å; Y48-L50 HydrophobicContact CE2-CG 3.87Å; Y48-I61 HydrophobicContact CD2-CD1 3.67Å; Y48-I61 HydrophobicContact CD2-CG1 3.94Å; Y48-I61 HydrophobicContact CE2-CD1 4.18Å; Y48-I61 HydrophobicContact CG-CD1 4.02Å; Y48-I61 HydrophobicContact CG-CG1 4.32Å; Y48-Y62 CarbonylContact C-O 3.42Å; Y48-Y62 WeakPolarHBondContact CA-O 3.02Å; Y48-Y62 WeakPolarHBondContact CB-O 3.32Å |
| 49 | T | 97.5 | Very high | 93.5 | Very high | 21 Ų | 21 | 79.5 Ų | 79.5 | 13% | 0.129 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 133.1 | 175.6 | -55.9 | 0 | 0 | 0 | 0 | 109.8 | V31 R34 T35 I61 Y62 | V31-T49 HydrophobicContact CG2-CG2 3.99Å; R34-T49 WeakPolarHBondContact O-CA 3.39Å; T35-T49 PolarHBondContact OG1-OG1 3.29Å; T49-I61 WeakPolarHBondContact O-CA 3.47Å; T49-Y62 PolarHBondContact N-O 3.27Å; T49-Y62 PolarHBondContact O-N 2.89Å |
| 50 | L | 96.9 | Very high | 93.7 | Very high | 44 Ų | 44 | 73.3 Ų | 73.3 | 23% | 0.23 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 127.6 | 174 | -64.8 | 176.9 | 0 | 0 | 0 | 110.7 | L24 G33 R34 Y48 L60 I61 | L24-L50 HydrophobicContact CD2-CD2 4.15Å; G33-L50 CarbonylContact C-O 3.53Å; G33-L50 WeakPolarHBondContact CA-O 3.42Å; R34-L50 PolarHBondContact N-O 2.97Å; R34-L50 PolarHBondContact O-N 2.9Å; Y48-L50 HydrophobicContact CD2-CD2 4.13Å; Y48-L50 HydrophobicContact CD2-CG 3.99Å; Y48-L50 HydrophobicContact CE2-CD1 4.02Å; Y48-L50 HydrophobicContact CE2-CD2 4.16Å; Y48-L50 HydrophobicContact CE2-CG 3.87Å; L50-L60 WeakPolarHBondContact CA-O 3.34Å; L50-I61 HydrophobicContact CD2-CB 3.69Å; L50-I61 HydrophobicContact CD2-CD1 3.97Å; L50-I61 HydrophobicContact CD2-CG1 3.76Å |
| 51 | E | 97.4 | Very high | 94 | Very high | 54 Ų | 54 | 72.8 Ų | 72.8 | 25% | 0.252 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 115.8 | 171.4 | -175.1 | 179.1 | 97.2 | 0 | 0 | 109.3 | V31 K32 Q53 Y59 L60 | V31-E51 HydrophobicContact CB-CB 3.81Å; V31-E51 HydrophobicContact CG2-CB 3.77Å; K32-E51 PolarHBondContact N-OE2 3.23Å; K32-E51 WeakPolarHBondContact O-CB 3.45Å; K32-E51 WeakPolarHBondContact O-CG 3.36Å; K32-E51 VanDerWaalsContact O-OE2 3.13Å; E51-Q53 PolarHBondContact O-NE2 2.92Å; E51-Q53 PolarHBondContact OE1-NE2 3.24Å; E51-Y59 CarbonylContact O-C 3.48Å; E51-Y59 WeakPolarHBondContact O-CA 3.32Å; E51-L60 HydrophobicContact CB-CB 4.34Å; E51-L60 PolarHBondContact N-O 2.96Å; E51-L60 PolarHBondContact O-N 3.05Å |
| 52 | Q | 96.1 | Very high | 94.3 | Very high | 127 Ų | 127 | 71.1 Ų | 71.1 | 59% | 0.593 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 134.1 | 175.4 | -171.6 | 172.4 | 29.2 | 0 | 0 | 110.1 | Y59 | Q52-Y59 HydrophobicContact CB-CD1 3.87Å; Q52-Y59 HydrophobicContact CB-CE1 3.68Å; Q52-Y59 HydrophobicContact CG-CD1 4.17Å; Q52-Y59 HydrophobicContact CG-CE1 3.7Å |
| 53 | Q | 96.3 | Very high | 94.5 | Very high | 68 Ų | 68 | 66 Ų | 66 | 32% | 0.318 | 34% | 0.339 | S | S | . | . | P | Polyproline II helix | trans | -102.8 | 165 | 177.3 | -57.9 | -59.1 | -60.6 | 0 | 0 | 110.9 | E51 G55 R58 L60 | E51-Q53 PolarHBondContact O-NE2 2.92Å; E51-Q53 PolarHBondContact OE1-NE2 3.24Å; Q53-G55 PolarHBondContact O-N 2.83Å; Q53-R58 HydrophobicContact CB-CB 4.04Å; Q53-R58 PolarHBondContact N-O 3.04Å; Q53-L60 HydrophobicContact CG-CG 3.95Å |
| 54 | D | 93.6 | Very high | 94.5 | Very high | 162 Ų | 162 | 67.4 Ų | 67.4 | 87% | 0.866 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -60.6 | 124.7 | 173.4 | -69.9 | -38.1 | 0 | 0 | 0 | 111.3 | ||
| 55 | G | 91.1 | Very high | 93.7 | Very high | 47 Ų | 47 | 71.5 Ų | 71.5 | 49% | 0.485 | 35% | 0.351 | S | S | . | . | S | Bend | trans | 118.4 | 171.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113 | Q53 | Q53-G55 PolarHBondContact O-N 2.83Š|
| 56 | M | 88.8 | Confident | 92.5 | Very high | 165 Ų | 165 | 69.4 Ų | 69.4 | 81% | 0.813 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | 130.7 | 179.3 | -168 | 171.2 | -179.3 | 0 | 0 | 110.2 | R58 | M56-R58 VanDerWaalsContact C-N 3.27Å; M56-R58 PolarHBondContact O-N 3.03Å |
| 57 | D | 89.7 | Confident | 90.7 | Very high | 97 Ų | 97 | 78.4 Ų | 78.4 | 52% | 0.519 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.1 | 34 | 173 | -57.1 | -35.9 | 0 | 0 | 0 | 115.8 | ||
| 58 | R | 95.9 | Very high | 90.5 | Very high | 151 Ų | 151 | 80.8 Ų | 80.8 | 57% | 0.57 | 40% | 0.397 | S | S | * | . | trans | -106.8 | 127.9 | 174.4 | -69.1 | -178.1 | 179 | 156.2 | -1.8 | 111.3 | G23 Q53 M56 | G23-R58 WeakPolarHBondContact O-CA 3.24Å; Q53-R58 HydrophobicContact CB-CB 4.04Å; Q53-R58 PolarHBondContact N-O 3.04Å; M56-R58 VanDerWaalsContact C-N 3.27Å; M56-R58 PolarHBondContact O-N 3.03Å | ||
| 59 | Y | 96.8 | Very high | 90.2 | Very high | 71 Ų | 71 | 83.3 Ų | 83.3 | 28% | 0.278 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 138.9 | -178.4 | -59.3 | -91.4 | 0 | 0 | 0 | 111.2 | G23 L24 Q25 E51 Q52 | G23-Y59 PolarHBondContact O-N 3.41Å; L24-Y59 WeakPolarHBondContact CA-O 3.35Å; Q25-Y59 PolarHBondContact N-O 3.04Å; E51-Y59 CarbonylContact O-C 3.48Å; E51-Y59 WeakPolarHBondContact O-CA 3.32Å; Q52-Y59 HydrophobicContact CB-CD1 3.87Å; Q52-Y59 HydrophobicContact CB-CE1 3.68Å; Q52-Y59 HydrophobicContact CG-CD1 4.17Å; Q52-Y59 HydrophobicContact CG-CE1 3.7Å |
| 60 | L | 97.4 | Very high | 89.8 | Confident | 34 Ų | 34 | 86.7 Ų | 86.7 | 18% | 0.178 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 136.8 | 158.8 | -68.1 | 177.4 | 0 | 0 | 0 | 108.8 | Q25 V31 L50 E51 Q53 | Q25-L60 HydrophobicContact CB-CD2 4.05Å; Q25-L60 HydrophobicContact CG-CD2 4.23Å; Q25-L60 WeakPolarHBondContact O-CA 3.39Å; V31-L60 HydrophobicContact CG1-CB 4.13Å; V31-L60 HydrophobicContact CG1-CD1 4.27Å; L50-L60 WeakPolarHBondContact CA-O 3.34Å; E51-L60 HydrophobicContact CB-CB 4.34Å; E51-L60 PolarHBondContact N-O 2.96Å; E51-L60 PolarHBondContact O-N 3.05Å; Q53-L60 HydrophobicContact CG-CG 3.95Å |
| 61 | I | 97 | Very high | 89.4 | Confident | 2 Ų | 2 | 89.2 Ų | 89.2 | 1% | 0.01 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 126.2 | 172.7 | -175.7 | 171.4 | 0 | 0 | 0 | 109.6 | A3 L6 L24 Q25 L26 S27 Y48 T49 L50 V63 | A3-I61 HydrophobicContact CB-CD1 3.87Å; L6-I61 HydrophobicContact CD1-CG2 3.68Å; L24-I61 HydrophobicContact CD2-CB 4.18Å; L24-I61 HydrophobicContact CD2-CD1 4.1Å; L24-I61 HydrophobicContact CD2-CG2 4.12Å; Q25-I61 PolarHBondContact O-N 3.45Å; L26-I61 CarbonylContact C-O 3.58Å; L26-I61 WeakPolarHBondContact CA-O 3.28Å; L26-I61 HydrophobicContact CD1-CG2 4.3Å; S27-I61 PolarHBondContact N-O 2.85Å; Y48-I61 HydrophobicContact CD2-CD1 3.67Å; Y48-I61 HydrophobicContact CD2-CG1 3.94Å; Y48-I61 HydrophobicContact CE2-CD1 4.18Å; Y48-I61 HydrophobicContact CG-CD1 4.02Å; Y48-I61 HydrophobicContact CG-CG1 4.32Å; T49-I61 WeakPolarHBondContact O-CA 3.47Å; L50-I61 HydrophobicContact CD2-CB 3.69Å; L50-I61 HydrophobicContact CD2-CD1 3.97Å; L50-I61 HydrophobicContact CD2-CG1 3.76Å; I61-V63 HydrophobicContact CD1-CG2 4.29Å; I61-V63 HydrophobicContact CG1-CG2 4.22Å |
| 62 | Y | 97.1 | Very high | 88.9 | Confident | 43 Ų | 43 | 91.4 Ų | 91.4 | 17% | 0.169 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 123 | 168.3 | 174.1 | -101.6 | 0 | 0 | 0 | 108.7 | N29 P30 Y48 T49 | N29-Y62 VanDerWaalsContact O-CD2 3.23Å; N29-Y62 WeakPolarHBondContact O-CD2 3.43Å; P30-Y62 HydrophobicContact CB-CD1 4.35Å; P30-Y62 HydrophobicContact CB-CE1 4.2Å; P30-Y62 HydrophobicContact CG-CE1 4.08Å; P30-Y62 HydrophobicContact CG-CE2 4.07Å; Y48-Y62 CarbonylContact C-O 3.42Å; Y48-Y62 WeakPolarHBondContact CA-O 3.02Å; Y48-Y62 WeakPolarHBondContact CB-O 3.32Å; T49-Y62 PolarHBondContact N-O 3.27Å; T49-Y62 PolarHBondContact O-N 2.89Å |
| 63 | V | 95.4 | Very high | 88.4 | Confident | 1 Ų | 1 | 89.1 Ų | 89.1 | 1% | 0.006 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 126 | 177 | -177.3 | 0 | 0 | 0 | 0 | 108.5 | A3 K7 F8 L26 V46 I61 | A3-V63 HydrophobicContact CB-CG2 4.01Å; K7-V63 HydrophobicContact CB-CB 3.99Å; K7-V63 HydrophobicContact CB-CG1 4.15Å; K7-V63 HydrophobicContact CB-CG2 3.96Å; K7-V63 HydrophobicContact CD-CB 4.29Å; K7-V63 HydrophobicContact CG-CB 3.96Å; K7-V63 HydrophobicContact CG-CG1 4.03Å; K7-V63 HydrophobicContact CG-CG2 4.48Å; F8-V63 HydrophobicContact CE2-CG1 4.4Å; F8-V63 HydrophobicContact CZ-CG1 4.41Å; L26-V63 HydrophobicContact CD1-CG2 4.09Å; V46-V63 HydrophobicContact CG1-CG1 3.67Å; I61-V63 HydrophobicContact CD1-CG2 4.29Å; I61-V63 HydrophobicContact CG1-CG2 4.22Å |
| 64 | D | 90.9 | Very high | 87.8 | Confident | 70 Ų | 70 | 90.6 Ų | 90.6 | 37% | 0.374 | 45% | 0.45 | S | S | . | . | trans | -67.3 | 131.8 | 178.9 | -159.1 | -31.9 | 0 | 0 | 0 | 110.2 | A47 S66 | A47-D64 HydrophobicContact CB-CB 4.3Å; A47-D64 PolarHBondContact O-N 2.89Å; D64-S66 PolarHBondContact OD1-N 2.96Å; D64-S66 PolarHBondContact OD1-OG 3.19Å; D64-S66 VanDerWaalsContact OD1-OG 3.12Å | ||
| 65 | E | 74.9 | Confident | 87.4 | Confident | 136 Ų | 136 | 85.1 Ų | 85.1 | 64% | 0.636 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -82.5 | -15.1 | -178.1 | -61.5 | -170.3 | 159.2 | 0 | 0 | 112.5 | K7 R67 | K7-E65 IonicContact NZ-OE1 3.88Å; K7-E65 PolarHBondContact NZ-OE1 3.22Å; E65-R67 VanDerWaalsContact C-N 3.35Å; E65-R67 PolarHBondContact O-N 3.4Å |
| 66 | S | 66.1 | Low | 87.1 | Confident | 94 Ų | 94 | 88.3 Ų | 88.3 | 66% | 0.657 | 41% | 0.412 | S | S | * | . | trans | -75.1 | 90.8 | 173.8 | 69.5 | 0 | 0 | 0 | 0 | 109.7 | D64 | D64-S66 PolarHBondContact OD1-N 2.96Å; D64-S66 PolarHBondContact OD1-OG 3.19Å; D64-S66 VanDerWaalsContact OD1-OG 3.12Å | ||
| 67 | R | 55.1 | Low | 86.9 | Confident | 195 Ų | 195 | 81.3 Ų | 81.3 | 74% | 0.736 | 38% | 0.376 | S | S | * | . | trans | -78.8 | 0 | 173.6 | -157.7 | -178.1 | 177.2 | -163.5 | 5.1 | 111.3 | D40 E42 E65 | D40-R67 IonicContact OD2-NH2 2.85Å; D40-R67 PolarHBondContact OD2-NH2 3.18Å; E42-R67 IonicContact OE2-CZ 2.71Å; E42-R67 IonicContact OE2-NH2 3.86Å; E42-R67 PolarHBondContact OE2-NH2 2.86Å; E65-R67 VanDerWaalsContact C-N 3.35Å; E65-R67 PolarHBondContact O-N 3.4Å |
Retrieved 67 of 67 residues in 191.2 ms
(Link to these results)