| 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 | 60.8 | Low | 85 | Confident | 228 Ų | 228 | 122.4 Ų | 122.4 | 100% | 1.123 | 67% | 0.669 | S | S | * | * | 0 | 124.4 | 0 | -57.7 | -68.9 | -156.2 | 0 | 0 | 107.6 | |||||
| 2 | P | 77.1 | Confident | 85.7 | Confident | 121 Ų | 121 | 120.1 Ų | 120.1 | 79% | 0.786 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 140.6 | 167.8 | 27.4 | -30.2 | 0 | 0 | 0 | 108.5 | ||
| 3 | L | 82 | Confident | 86.3 | Confident | 162 Ų | 162 | 121.1 Ų | 121.1 | 85% | 0.848 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 148.8 | 174.3 | -68.6 | 167.5 | 0 | 0 | 0 | 110.1 | K5 | L3-K5 PolarHBondContact O-N 3.4Š|
| 4 | A | 84.5 | Confident | 86.7 | Confident | 109 Ų | 109 | 118.6 Ų | 118.6 | 90% | 0.901 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 131.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||
| 5 | K | 83.8 | Confident | 87.2 | Confident | 157 Ų | 157 | 112.9 Ų | 112.9 | 68% | 0.683 | 61% | 0.61 | S | S | * | * | P | Polyproline II helix | trans | -97.4 | 133.2 | 178.1 | -66.9 | -173.9 | 178.1 | -174.8 | 0 | 109.8 | L3 L7 | L3-K5 PolarHBondContact O-N 3.4Å; K5-L7 PolarHBondContact O-N 3.43Å |
| 6 | D | 89.3 | Confident | 87.6 | Confident | 89 Ų | 89 | 116.1 Ų | 116.1 | 48% | 0.476 | 62% | 0.616 | S | S | . | * | trans | -74.1 | 114.6 | 170.1 | -170.1 | -15.5 | 0 | 0 | 0 | 109.6 | L8 H9 | D6-L8 PolarHBondContact OD1-N 3.25Å; D6-H9 PolarHBondContact OD1-N 3.25Å; D6-H9 IonicContact OD1-ND1 3.65Å; D6-H9 WeakPolarHBondContact OD2-CB 3.41Å; D6-H9 IonicContact OD2-CG 3.7Å; D6-H9 IonicContact OD2-ND1 3.14Å; D6-H9 PolarHBondContact OD2-ND1 3.38Å; D6-H9 VanDerWaalsContact OD2-ND1 3.14Å | ||
| 7 | L | 89.4 | Confident | 88 | Confident | 139 Ų | 139 | 121.8 Ų | 121.8 | 73% | 0.728 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -89.3 | -21.4 | 178.8 | -63.1 | -178.5 | 0 | 0 | 0 | 113.1 | K5 | K5-L7 PolarHBondContact O-N 3.43Š|
| 8 | L | 92 | Very high | 88.4 | Confident | 127 Ų | 127 | 119.3 Ų | 119.3 | 67% | 0.665 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -86.9 | -30.7 | -177.6 | -65.6 | 175.6 | 0 | 0 | 0 | 111.2 | D6 P10 L24 | D6-L8 PolarHBondContact OD1-N 3.25Å; L8-P10 WeakPolarHBondContact O-CD 3.32Å; L8-L24 WeakPolarHBondContact O-CD2 3.48Å |
| 9 | H | 91.9 | Very high | 88.8 | Confident | 144 Ų | 144 | 118.5 Ų | 118.5 | 67% | 0.667 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -126.2 | 63.7 | 177.9 | -43.9 | 93.7 | 0 | 0 | 0 | 111.1 | D6 | D6-H9 PolarHBondContact OD1-N 3.25Å; D6-H9 IonicContact OD1-ND1 3.65Å; D6-H9 WeakPolarHBondContact OD2-CB 3.41Å; D6-H9 IonicContact OD2-CG 3.7Å; D6-H9 IonicContact OD2-ND1 3.14Å; D6-H9 PolarHBondContact OD2-ND1 3.38Å; D6-H9 VanDerWaalsContact OD2-ND1 3.14Å |
| 10 | P | 92 | Very high | 89.2 | Confident | 23 Ų | 23 | 117.2 Ų | 117.2 | 15% | 0.149 | 59% | 0.594 | C | S | . | * | trans | -61.1 | 148.8 | 176.7 | 27.8 | -34.9 | 0 | 0 | 0 | 110.7 | L8 E15 L24 | L8-P10 WeakPolarHBondContact O-CD 3.32Å; P10-E15 HydrophobicContact CB-CG 4Å; P10-E15 HydrophobicContact CG-CG 3.55Å; P10-E15 WeakPolarHBondContact CG-OE1 2.92Å; P10-L24 HydrophobicContact CG-CD2 4.46Å | ||
| 11 | S | 92.5 | Very high | 89.5 | Confident | 47 Ų | 47 | 118.3 Ų | 118.3 | 33% | 0.329 | 60% | 0.595 | S | S | . | * | trans | -63.3 | 149.3 | 177.5 | 65.4 | 0 | 0 | 0 | 0 | 111.2 | E13 E14 E15 | S11-E13 PolarHBondContact O-N 3.43Å; S11-E13 VanDerWaalsContact O-N 3.09Å; S11-E14 WeakPolarHBondContact CB-OE2 3.45Å; S11-E14 PolarHBondContact N-OE2 2.96Å; S11-E14 PolarHBondContact O-N 3.5Å; S11-E14 WeakPolarHBondContact OG-CB 3.28Å; S11-E14 WeakPolarHBondContact OG-CG 3.28Å; S11-E14 PolarHBondContact OG-N 3.45Å; S11-E14 PolarHBondContact OG-OE2 3.02Å; S11-E15 PolarHBondContact O-N 3.17Å | ||
| 12 | P | 93 | Very high | 91.2 | Very high | 95 Ų | 95 | 115.3 Ų | 115.3 | 62% | 0.617 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -57.5 | -28 | 178.4 | -26.4 | 34.6 | 0 | 0 | 0 | 113.7 | K16 | P12-K16 WeakPolarHBondContact O-CB 3.49Å; P12-K16 WeakPolarHBondContact O-CD 3.42Å; P12-K16 WeakPolarHBondContact O-CG 3.4Å; P12-K16 PolarHBondContact O-N 3.31Å; P12-K16 VanDerWaalsContact O-N 3.16Å |
| 13 | E | 93.6 | Very high | 92.1 | Very high | 133 Ų | 133 | 111.6 Ų | 111.6 | 62% | 0.621 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -72 | -42.8 | 176.6 | -61.4 | -172.5 | 178.9 | 0 | 0 | 112.1 | S11 K16 R17 | S11-E13 PolarHBondContact O-N 3.43Å; S11-E13 VanDerWaalsContact O-N 3.09Å; E13-K16 PolarHBondContact O-N 2.65Å; E13-R17 WeakPolarHBondContact O-CG 3.2Å; E13-R17 PolarHBondContact O-N 3.3Å |
| 14 | E | 92 | Very high | 92.7 | Very high | 87 Ų | 87 | 108.8 Ų | 108.8 | 41% | 0.407 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.8 | -43.8 | 175.8 | -73.7 | 168.8 | 136.9 | 0 | 0 | 111.3 | S11 K16 R17 K18 | S11-E14 WeakPolarHBondContact CB-OE2 3.45Å; S11-E14 PolarHBondContact N-OE2 2.96Å; S11-E14 PolarHBondContact O-N 3.5Å; S11-E14 WeakPolarHBondContact OG-CB 3.28Å; S11-E14 WeakPolarHBondContact OG-CG 3.28Å; S11-E14 PolarHBondContact OG-N 3.45Å; S11-E14 PolarHBondContact OG-OE2 3.02Å; E14-K16 VanDerWaalsContact C-N 3.34Å; E14-K16 PolarHBondContact O-N 2.82Å; E14-R17 PolarHBondContact O-N 2.85Å; E14-K18 WeakPolarHBondContact O-CG 3.39Å; E14-K18 PolarHBondContact O-N 3.36Å |
| 15 | E | 93.7 | Very high | 93.2 | Very high | 33 Ų | 33 | 109 Ų | 109 | 15% | 0.154 | 52% | 0.521 | C | S | . | . | H | α-helix | trans | -62.6 | -37.8 | 176.2 | -79.4 | -63.1 | 122.2 | 0 | 0 | 112.8 | P10 S11 R17 K18 R23 L24 | P10-E15 HydrophobicContact CB-CG 4Å; P10-E15 HydrophobicContact CG-CG 3.55Å; P10-E15 WeakPolarHBondContact CG-OE1 2.92Å; S11-E15 PolarHBondContact O-N 3.17Å; E15-R17 VanDerWaalsContact C-N 3.31Å; E15-R17 PolarHBondContact O-N 2.95Å; E15-K18 PolarHBondContact O-N 2.88Å; E15-K18 WeakPolarHBondContact OE1-CD 3.29Å; E15-K18 WeakPolarHBondContact OE1-CE 3.41Å; E15-K18 IonicContact OE1-NZ 2.78Å; E15-K18 PolarHBondContact OE1-NZ 3.2Å; E15-R23 VanDerWaalsContact OE2-CA 3.3Å; E15-R23 WeakPolarHBondContact OE2-CA 3.38Å; E15-R23 VanDerWaalsContact OE2-CB 3.24Å; E15-R23 WeakPolarHBondContact OE2-CB 3.21Å; E15-L24 PolarHBondContact OE1-N 3.17Å; E15-L24 PolarHBondContact OE2-N 2.95Å |
| 16 | K | 93.2 | Very high | 93.7 | Very high | 163 Ų | 163 | 108.1 Ų | 108.1 | 71% | 0.709 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -65.7 | -32.6 | 176.7 | -78.4 | 171 | -174.7 | 174.9 | 0 | 112.8 | P12 E13 E14 | P12-K16 WeakPolarHBondContact O-CB 3.49Å; P12-K16 WeakPolarHBondContact O-CD 3.42Å; P12-K16 WeakPolarHBondContact O-CG 3.4Å; P12-K16 PolarHBondContact O-N 3.31Å; P12-K16 VanDerWaalsContact O-N 3.16Å; E13-K16 PolarHBondContact O-N 2.65Å; E14-K16 VanDerWaalsContact C-N 3.34Å; E14-K16 PolarHBondContact O-N 2.82Å |
| 17 | R | 94.4 | Very high | 94 | Very high | 213 Ų | 213 | 106.4 Ų | 106.4 | 80% | 0.804 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -74.5 | -25.4 | 177.5 | -69.1 | 176.3 | -172.6 | -152.5 | 4.8 | 112.7 | E13 E14 E15 | E13-R17 WeakPolarHBondContact O-CG 3.2Å; E13-R17 PolarHBondContact O-N 3.3Å; E14-R17 PolarHBondContact O-N 2.85Å; E15-R17 VanDerWaalsContact C-N 3.31Å; E15-R17 PolarHBondContact O-N 2.95Å |
| 18 | K | 95.2 | Very high | 94.2 | Very high | 77 Ų | 77 | 104.4 Ų | 104.4 | 34% | 0.335 | 51% | 0.51 | S | S | . | . | S | Bend | trans | -67.6 | 144.6 | 178.2 | -68.8 | 173.8 | -173.1 | 179.6 | 0 | 111.2 | E14 E15 K22 R23 | E14-K18 WeakPolarHBondContact O-CG 3.39Å; E14-K18 PolarHBondContact O-N 3.36Å; E15-K18 PolarHBondContact O-N 2.88Å; E15-K18 WeakPolarHBondContact OE1-CD 3.29Å; E15-K18 WeakPolarHBondContact OE1-CE 3.41Å; E15-K18 IonicContact OE1-NZ 2.78Å; E15-K18 PolarHBondContact OE1-NZ 3.2Å; K18-K22 WeakPolarHBondContact CD-O 3.1Å; K18-R23 HydrophobicContact CB-CG 4.12Å |
| 19 | H | 96.8 | Very high | 94.4 | Very high | 104 Ų | 104 | 102.2 Ų | 102.2 | 48% | 0.481 | 50% | 0.499 | S | S | . | . | trans | -59.3 | 148 | 169.2 | -178.3 | 71.6 | 0 | 0 | 0 | 110.3 | K21 K22 R23 | H19-K21 PolarHBondContact CD2-N 2.91Å; H19-K21 PolarHBondContact O-N 2.89Å; H19-K22 HydrophobicContact CB-CB 4.44Å; H19-K22 HydrophobicContact CB-CG 4.41Å; H19-K22 WeakPolarHBondContact O-CA 3.22Å; H19-K22 PolarHBondContact O-N 2.82Å; H19-R23 PolarHBondContact O-N 3.45Å | ||
| 20 | K | 96.3 | Very high | 94.5 | Very high | 92 Ų | 92 | 97.3 Ų | 97.3 | 40% | 0.4 | 48% | 0.481 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.1 | -33.9 | -175.5 | 62.6 | 178.7 | -178.2 | -178.9 | 0 | 115 | S27 | K20-S27 WeakPolarHBondContact CB-O 3.31Š|
| 21 | K | 96.8 | Very high | 94.7 | Very high | 141 Ų | 141 | 98.7 Ų | 98.7 | 61% | 0.613 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | -13.4 | 177 | -57.9 | -175.5 | 176.4 | -176.7 | 0 | 114.6 | H19 Q26 | H19-K21 PolarHBondContact CD2-N 2.91Å; H19-K21 PolarHBondContact O-N 2.89Å; K21-Q26 PolarHBondContact O-NE2 2.86Å |
| 22 | K | 95.9 | Very high | 94.9 | Very high | 165 Ų | 165 | 102.2 Ų | 102.2 | 72% | 0.717 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.4 | 0.8 | -175.7 | -65.9 | -169.8 | 176.2 | -174.6 | 0 | 113.6 | K18 H19 | K18-K22 WeakPolarHBondContact CD-O 3.1Å; H19-K22 HydrophobicContact CB-CB 4.44Å; H19-K22 HydrophobicContact CB-CG 4.41Å; H19-K22 WeakPolarHBondContact O-CA 3.22Å; H19-K22 PolarHBondContact O-N 2.82Å |
| 23 | R | 95.5 | Very high | 95.1 | Very high | 44 Ų | 44 | 98 Ų | 98 | 17% | 0.166 | 47% | 0.465 | C | S | . | . | S | Bend | trans | -64.5 | 158.2 | 171.3 | -70.4 | 178.7 | -175.6 | 151.4 | 7.2 | 110.4 | E15 K18 H19 V25 S27 N29 | E15-R23 VanDerWaalsContact OE2-CA 3.3Å; E15-R23 WeakPolarHBondContact OE2-CA 3.38Å; E15-R23 VanDerWaalsContact OE2-CB 3.24Å; E15-R23 WeakPolarHBondContact OE2-CB 3.21Å; K18-R23 HydrophobicContact CB-CG 4.12Å; H19-R23 PolarHBondContact O-N 3.45Å; R23-V25 VanDerWaalsContact CB-O 3.28Å; R23-V25 WeakPolarHBondContact CB-O 3.46Å; R23-V25 PolarHBondContact O-N 2.92Å; R23-S27 PolarHBondContact NH1-O 3.28Å; R23-S27 PolarHBondContact NH1-OG 3.47Å; R23-N29 PolarHBondContact NH1-OD1 3.4Å; R23-N29 PolarHBondContact NH2-OD1 2.84Å |
| 24 | L | 94.4 | Very high | 95.1 | Very high | 103 Ų | 103 | 93.5 Ų | 93.5 | 54% | 0.539 | 45% | 0.445 | S | S | . | . | S | Bend | trans | -56 | -44.7 | 174.8 | -176.9 | 66.4 | 0 | 0 | 0 | 110.6 | L8 P10 E15 | L8-L24 WeakPolarHBondContact O-CD2 3.48Å; P10-L24 HydrophobicContact CG-CD2 4.46Å; E15-L24 PolarHBondContact OE1-N 3.17Å; E15-L24 PolarHBondContact OE2-N 2.95Å |
| 25 | V | 95.2 | Very high | 95.3 | Very high | 114 Ų | 114 | 89.4 Ų | 89.4 | 69% | 0.691 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -119.9 | 122.4 | 168.3 | -178 | 0 | 0 | 0 | 0 | 108.8 | R23 S27 | R23-V25 VanDerWaalsContact CB-O 3.28Å; R23-V25 WeakPolarHBondContact CB-O 3.46Å; R23-V25 PolarHBondContact O-N 2.92Å; V25-S27 PolarHBondContact O-N 3.22Å |
| 26 | Q | 95.5 | Very high | 95.3 | Very high | 137 Ų | 137 | 91.8 Ų | 91.8 | 64% | 0.64 | 44% | 0.436 | S | S | * | . | trans | -67.9 | 134.1 | -178.2 | -59.3 | -175.7 | 26.6 | 0 | 0 | 110.6 | K21 | K21-Q26 PolarHBondContact O-NE2 2.86Š| ||
| 27 | S | 93.6 | Very high | 95.4 | Very high | 53 Ų | 53 | 84 Ų | 84 | 37% | 0.371 | 40% | 0.402 | S | S | . | . | trans | -146 | 147.2 | -179.6 | 47.8 | 0 | 0 | 0 | 0 | 110.9 | K20 R23 V25 | K20-S27 WeakPolarHBondContact CB-O 3.31Å; R23-S27 PolarHBondContact NH1-O 3.28Å; R23-S27 PolarHBondContact NH1-OG 3.47Å; V25-S27 PolarHBondContact O-N 3.22Å | ||
| 28 | P | 95.2 | Very high | 95.3 | Very high | 97 Ų | 97 | 76.8 Ų | 76.8 | 63% | 0.63 | 38% | 0.383 | S | S | * | . | trans | -66.3 | 149.4 | 179 | 27.8 | -33.9 | 0 | 0 | 0 | 111.5 | S30 | P28-S30 VanDerWaalsContact C-N 3.35Š| ||
| 29 | N | 94.7 | Very high | 95 | Very high | 81 Ų | 81 | 75.7 Ų | 75.7 | 43% | 0.433 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -87.7 | -9.9 | 167.7 | -72.3 | -18.4 | 0 | 0 | 0 | 112.4 | R23 | R23-N29 PolarHBondContact NH1-OD1 3.4Å; R23-N29 PolarHBondContact NH2-OD1 2.84Å |
| 30 | S | 95.8 | Very high | 94.8 | Very high | 41 Ų | 41 | 72.7 Ų | 72.7 | 29% | 0.287 | 38% | 0.383 | S | S | . | . | trans | -88.6 | 152.6 | -178.7 | 54.7 | 0 | 0 | 0 | 0 | 111.8 | P28 S48 | P28-S30 VanDerWaalsContact C-N 3.35Å; S30-S48 WeakPolarHBondContact CA-OG 3.5Å | ||
| 31 | Y | 96.1 | Very high | 94.6 | Very high | 52 Ų | 52 | 75.8 Ų | 75.8 | 20% | 0.204 | 39% | 0.394 | C | S | . | . | trans | -143.2 | 165.2 | 176.5 | 52.2 | -92.3 | 0 | 0 | 0 | 110.7 | M33 S48 R81 | Y31-M33 HydrophobicContact CD2-CB 4.39Å; Y31-M33 HydrophobicContact CE2-CB 4.34Å; Y31-M33 HydrophobicContact CE2-SD 4.04Å; Y31-S48 PolarHBondContact N-OG 3.1Å; Y31-S48 WeakPolarHBondContact O-CB 3.19Å; Y31-S48 PolarHBondContact O-N 3.12Å; Y31-S48 PolarHBondContact O-OG 2.9Å; Y31-R81 HydrophobicContact CD2-CB 4.47Å; Y31-R81 HydrophobicContact CD2-CG 3.57Å; Y31-R81 HydrophobicContact CE2-CG 4.16Å; Y31-R81 HydrophobicContact CG-CG 3.89Å | ||
| 32 | F | 96.6 | Very high | 94.5 | Very high | 121 Ų | 121 | 74.5 Ų | 74.5 | 53% | 0.531 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 146.6 | 166 | -68.6 | -84.3 | 0 | 0 | 0 | 110.2 | F47 K82 | F32-F47 HydrophobicContact CD1-CB 4.23Å; F32-F47 HydrophobicContact CD1-CD2 4.15Å; F32-F47 HydrophobicContact CE1-CB 4.03Å; F32-F47 AromaticContact CE1-CD2 3.84Å; F32-F47 HydrophobicContact CE1-CD2 3.84Å; F32-F47 HydrophobicContact CE1-CG 4.35Å; F32-F47 HydrophobicContact CE2-CD2 4.35Å; F32-F47 AromaticContact CZ-CD2 3.95Å; F32-F47 HydrophobicContact CZ-CD2 3.95Å; F32-K82 PolarHBondContact O-N 3.37Å |
| 33 | M | 95.8 | Very high | 94.4 | Very high | 6 Ų | 6 | 72 Ų | 72 | 3% | 0.03 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 144.1 | 178.3 | 56.3 | -168.5 | 167.1 | 0 | 0 | 110.4 | Y31 V35 T45 V46 L73 F79 R80 | Y31-M33 HydrophobicContact CD2-CB 4.39Å; Y31-M33 HydrophobicContact CE2-CB 4.34Å; Y31-M33 HydrophobicContact CE2-SD 4.04Å; M33-V35 HydrophobicContact CG-CG2 4.01Å; M33-T45 CarbonylContact O-C 3.47Å; M33-T45 WeakPolarHBondContact O-CA 3.32Å; M33-V46 HydrophobicContact CE-CB 4.39Å; M33-V46 HydrophobicContact CE-CG1 4.09Å; M33-V46 HydrophobicContact CG-CB 4.34Å; M33-V46 WeakPolarHBondContact CG-O 3.47Å; M33-V46 PolarHBondContact N-O 2.87Å; M33-V46 PolarHBondContact O-N 2.8Å; M33-L73 HydrophobicContact CE-CD2 4.26Å; M33-F79 HydrophobicContact CB-CD2 4.15Å; M33-F79 HydrophobicContact SD-CB 4.45Å; M33-F79 HydrophobicContact SD-CD2 3.82Å; M33-F79 HydrophobicContact SD-CE2 4.37Å; M33-F79 HydrophobicContact SD-CG 4.22Å; M33-R80 CarbonylContact C-O 3.46Å; M33-R80 WeakPolarHBondContact CA-O 3.28Å; M33-R80 WeakPolarHBondContact CB-O 3.45Å |
| 34 | D | 95.2 | Very high | 94.3 | Very high | 40 Ų | 40 | 70.7 Ų | 70.7 | 21% | 0.214 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 113.4 | 170.4 | -74 | -31.5 | 0 | 0 | 0 | 107.8 | I43 T45 F79 R80 K82 | D34-I43 HydrophobicContact CB-CG2 3.61Å; D34-T45 VanDerWaalsContact OD1-CG2 3.24Å; D34-T45 WeakPolarHBondContact OD1-CG2 3.5Å; D34-F79 CarbonylContact O-C 3.58Å; D34-F79 WeakPolarHBondContact O-CA 3.2Å; D34-R80 PolarHBondContact N-O 3.35Å; D34-R80 PolarHBondContact O-N 3.41Å; D34-K82 VanDerWaalsContact OD1-CD 3.31Å; D34-K82 WeakPolarHBondContact OD1-CD 3.41Å; D34-K82 WeakPolarHBondContact OD1-CE 3.32Å; D34-K82 IonicContact OD1-NZ 3.28Å; D34-K82 PolarHBondContact OD1-NZ 2.87Å; D34-K82 WeakPolarHBondContact OD2-CE 3.26Å; D34-K82 WeakPolarHBondContact OD2-CG 3.24Å; D34-K82 IonicContact OD2-NZ 2.67Å; D34-K82 PolarHBondContact OD2-NZ 3.4Å |
| 35 | V | 94.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 126.6 | 179.2 | -177.4 | 0 | 0 | 0 | 0 | 108.9 | M33 I43 T44 V46 L63 L73 C77 S78 F79 | M33-V35 HydrophobicContact CG-CG2 4.01Å; V35-I43 WeakPolarHBondContact O-CA 3.26Å; V35-T44 PolarHBondContact N-O 2.88Å; V35-T44 PolarHBondContact O-N 3.12Å; V35-T44 PolarHBondContact O-OG1 2.85Å; V35-V46 HydrophobicContact CB-CG2 3.93Å; V35-V46 HydrophobicContact CG2-CB 3.77Å; V35-V46 HydrophobicContact CG2-CG2 3.56Å; V35-L63 HydrophobicContact CG1-CB 4.42Å; V35-L63 HydrophobicContact CG1-CD2 4.44Å; V35-L73 HydrophobicContact CG1-CD2 4.06Å; V35-L73 HydrophobicContact CG2-CD2 3.79Å; V35-C77 HydrophobicContact CG1-CB 3.91Å; V35-S78 WeakPolarHBondContact CA-O 3.43Å; V35-F79 HydrophobicContact CG2-CB 4.09Å |
| 36 | K | 95 | Very high | 94.3 | Very high | 83 Ų | 83 | 64.7 Ų | 64.7 | 36% | 0.361 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 122.7 | 176.7 | -176.1 | 179.8 | 179.5 | -176.3 | 0 | 109.6 | I43 S78 | K36-I43 HydrophobicContact CB-CG1 4.47Å; K36-S78 WeakPolarHBondContact CB-OG 3.24Å; K36-S78 PolarHBondContact N-O 3.43Å |
| 37 | C | 94.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 33% | 0.331 | C | S | . | . | P | Polyproline II helix | trans | -67.8 | 134 | 176.6 | 178.8 | 0 | 0 | 0 | 0 | 111.3 | G39 Y41 K42 C56 C59 T61 L63 | C37-G39 VanDerWaalsContact C-N 3.3Å; C37-G39 PolarHBondContact O-N 2.95Å; C37-G39 PolarHBondContact SG-N 2.78Å; C37-G39 VanDerWaalsContact SG-N 3.4Å; C37-Y41 WeakPolarHBondContact O-CA 3.49Å; C37-Y41 PolarHBondContact O-N 3.47Å; C37-K42 PolarHBondContact N-O 2.78Å; C37-C56 HydrophobicContact CB-CB 4.34Å; C37-C59 PolarHBondContact SG-SG 3.2Å; C37-T61 PolarHBondContact SG-OG1 3.3Å; C37-L63 HydrophobicContact CB-CD2 3.89Å |
| 38 | P | 92.1 | Very high | 94.5 | Very high | 62 Ų | 62 | 59.3 Ų | 59.3 | 40% | 0.403 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -24.6 | 177.1 | 26.6 | -34.3 | 0 | 0 | 0 | 113.6 | C77 | P38-C77 VanDerWaalsContact CD-SG 3.57Š|
| 39 | G | 90.2 | Very high | 94.5 | Very high | 53 Ų | 53 | 57.5 Ų | 57.5 | 55% | 0.546 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -62 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | C37 | C37-G39 VanDerWaalsContact C-N 3.3Å; C37-G39 PolarHBondContact O-N 2.95Å; C37-G39 PolarHBondContact SG-N 2.78Å; C37-G39 VanDerWaalsContact SG-N 3.4Å |
| 40 | C | 92.5 | Very high | 94.6 | Very high | 41 Ų | 41 | 54.1 Ų | 54.1 | 28% | 0.277 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | 1.7 | -173.1 | 70.8 | 0 | 0 | 0 | 0 | 114.7 | K42 C56 C59 | C40-K42 PolarHBondContact O-N 3.25Å; C40-C56 PolarHBondContact SG-SG 2.65Å; C40-C59 HydrophobicContact CB-CB 4.26Å; C40-C59 PolarHBondContact SG-SG 3.43Å |
| 41 | Y | 91.5 | Very high | 94.5 | Very high | 157 Ų | 157 | 60.7 Ų | 60.7 | 62% | 0.616 | 31% | 0.307 | S | S | * | . | trans | 58.9 | 4 | -179.7 | -61.9 | -94 | 0 | 0 | 0 | 115.8 | C37 | C37-Y41 WeakPolarHBondContact O-CA 3.49Å; C37-Y41 PolarHBondContact O-N 3.47Å | ||
| 42 | K | 93.6 | Very high | 94.5 | Very high | 115 Ų | 115 | 62.9 Ų | 62.9 | 50% | 0.5 | 33% | 0.326 | S | S | . | . | trans | -68.3 | 144.4 | 174.4 | -65.5 | -170.8 | -173.7 | -178.9 | 0 | 110.7 | C37 C40 | C37-K42 PolarHBondContact N-O 2.78Å; C40-K42 PolarHBondContact O-N 3.25Å | ||
| 43 | I | 93.7 | Very high | 94.4 | Very high | 113 Ų | 113 | 60.7 Ų | 60.7 | 58% | 0.579 | 32% | 0.322 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 130.2 | 179.1 | -59.6 | 172.1 | 0 | 0 | 0 | 108.4 | D34 V35 K36 | D34-I43 HydrophobicContact CB-CG2 3.61Å; V35-I43 WeakPolarHBondContact O-CA 3.26Å; K36-I43 HydrophobicContact CB-CG1 4.47Å |
| 44 | T | 94.3 | Very high | 94.3 | Very high | 16 Ų | 16 | 62 Ų | 62 | 10% | 0.098 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 138 | 176.2 | 54.7 | 0 | 0 | 0 | 0 | 110 | V35 V46 V57 L63 | V35-T44 PolarHBondContact N-O 2.88Å; V35-T44 PolarHBondContact O-N 3.12Å; V35-T44 PolarHBondContact O-OG1 2.85Å; T44-V46 PolarHBondContact O-N 2.92Å; T44-V57 HydrophobicContact CG2-CG2 4.11Å; T44-L63 HydrophobicContact CG2-CD1 4.13Å; T44-L63 WeakPolarHBondContact OG1-CD1 3.14Å |
| 45 | T | 94.3 | Very high | 94.3 | Very high | 87 Ų | 87 | 64.4 Ų | 64.4 | 53% | 0.534 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 121.4 | 173.9 | 49.8 | 0 | 0 | 0 | 0 | 110.5 | M33 D34 K82 | M33-T45 CarbonylContact O-C 3.47Å; M33-T45 WeakPolarHBondContact O-CA 3.32Å; D34-T45 VanDerWaalsContact OD1-CG2 3.24Å; D34-T45 WeakPolarHBondContact OD1-CG2 3.5Å; T45-K82 HydrophobicContact CG2-CD 4.05Å |
| 46 | V | 95.1 | Very high | 94.3 | Very high | 3 Ų | 3 | 64.5 Ų | 64.5 | 2% | 0.018 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 140.9 | 179.9 | -176.2 | 0 | 0 | 0 | 0 | 109.8 | M33 V35 T44 V54 | M33-V46 HydrophobicContact CE-CB 4.39Å; M33-V46 HydrophobicContact CE-CG1 4.09Å; M33-V46 HydrophobicContact CG-CB 4.34Å; M33-V46 WeakPolarHBondContact CG-O 3.47Å; M33-V46 PolarHBondContact N-O 2.87Å; M33-V46 PolarHBondContact O-N 2.8Å; V35-V46 HydrophobicContact CB-CG2 3.93Å; V35-V46 HydrophobicContact CG2-CB 3.77Å; V35-V46 HydrophobicContact CG2-CG2 3.56Å; T44-V46 PolarHBondContact O-N 2.92Å; V46-V54 HydrophobicContact CG1-CG2 4.23Å; V46-V54 HydrophobicContact CG2-CG1 4.04Å |
| 47 | F | 96.4 | Very high | 94.1 | Very high | 75 Ų | 75 | 66.6 Ų | 66.6 | 33% | 0.329 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 135.2 | 172.7 | -177.5 | -118.5 | 0 | 0 | 0 | 111.1 | F32 H49 A50 | F32-F47 HydrophobicContact CD1-CB 4.23Å; F32-F47 HydrophobicContact CD1-CD2 4.15Å; F32-F47 HydrophobicContact CE1-CB 4.03Å; F32-F47 AromaticContact CE1-CD2 3.84Å; F32-F47 HydrophobicContact CE1-CD2 3.84Å; F32-F47 HydrophobicContact CE1-CG 4.35Å; F32-F47 HydrophobicContact CE2-CD2 4.35Å; F32-F47 AromaticContact CZ-CD2 3.95Å; F32-F47 HydrophobicContact CZ-CD2 3.95Å; F47-H49 VanDerWaalsContact CD1-C 3.47Å; F47-H49 HydrophobicContact CD1-CB 4.11Å; F47-H49 HydrophobicContact CE1-CB 3.64Å; F47-H49 HydrophobicContact CZ-CB 4.4Å; F47-H49 PolarHBondContact O-N 3.16Å; F47-H49 VanDerWaalsContact O-N 3.1Å; F47-A50 WeakPolarHBondContact O-CB 3.4Å; F47-A50 PolarHBondContact O-N 3.27Å; F47-A50 VanDerWaalsContact O-N 3.12Å |
| 48 | S | 96.3 | Very high | 93.9 | Very high | 2 Ų | 2 | 68.3 Ų | 68.3 | 1% | 0.014 | 38% | 0.38 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -29.9 | -179 | 52.6 | 0 | 0 | 0 | 0 | 115.5 | S30 Y31 K70 A71 | S30-S48 WeakPolarHBondContact CA-OG 3.5Å; Y31-S48 PolarHBondContact N-OG 3.1Å; Y31-S48 WeakPolarHBondContact O-CB 3.19Å; Y31-S48 PolarHBondContact O-N 3.12Å; Y31-S48 PolarHBondContact O-OG 2.9Å; S48-K70 CarbonylContact O-C 3.51Å; S48-K70 VanDerWaalsContact O-CA 3.26Å; S48-K70 WeakPolarHBondContact O-CA 3.37Å; S48-A71 PolarHBondContact O-N 3.06Å |
| 49 | H | 96.6 | Very high | 93.9 | Very high | 60 Ų | 60 | 67.8 Ų | 67.8 | 28% | 0.278 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.4 | 43.7 | 179.2 | -55.4 | 67.1 | 0 | 0 | 0 | 110.4 | F47 Q51 G69 | F47-H49 VanDerWaalsContact CD1-C 3.47Å; F47-H49 HydrophobicContact CD1-CB 4.11Å; F47-H49 HydrophobicContact CE1-CB 3.64Å; F47-H49 HydrophobicContact CZ-CB 4.4Å; F47-H49 PolarHBondContact O-N 3.16Å; F47-H49 VanDerWaalsContact O-N 3.1Å; H49-Q51 PolarHBondContact O-N 3.33Å; H49-G69 WeakPolarHBondContact CB-O 3.49Å; H49-G69 PolarHBondContact CD2-O 3.07Å; H49-G69 VanDerWaalsContact CD2-O 3.25Å |
| 50 | A | 95.3 | Very high | 94 | Very high | 9 Ų | 9 | 69.4 Ų | 69.4 | 7% | 0.074 | 38% | 0.381 | C | S | . | . | trans | -53.3 | 126.7 | 179 | 0 | 0 | 0 | 0 | 0 | 111.2 | F47 V54 P66 A71 | F47-A50 WeakPolarHBondContact O-CB 3.4Å; F47-A50 PolarHBondContact O-N 3.27Å; F47-A50 VanDerWaalsContact O-N 3.12Å; A50-V54 HydrophobicContact CB-CG2 4.12Å; A50-P66 WeakPolarHBondContact O-CA 3.41Å; A50-P66 WeakPolarHBondContact O-CB 3.46Å; A50-A71 HydrophobicContact CB-CB 4Å | ||
| 51 | Q | 95 | Very high | 94 | Very high | 179 Ų | 179 | 70.1 Ų | 70.1 | 84% | 0.836 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -88.2 | -13.4 | 179.2 | -67.8 | -180 | -23.9 | 0 | 0 | 112.7 | H49 P66 | H49-Q51 PolarHBondContact O-N 3.33Å; Q51-P66 VanDerWaalsContact O-CB 3.26Å; Q51-P66 WeakPolarHBondContact O-CB 3.47Å |
| 52 | T | 95.2 | Very high | 94.2 | Very high | 98 Ų | 98 | 65.1 Ų | 65.1 | 60% | 0.601 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -116.2 | 159.5 | 179.4 | 56.3 | 0 | 0 | 0 | 0 | 110.5 | V54 | T52-V54 PolarHBondContact O-N 3.06Š|
| 53 | V | 95.1 | Very high | 94.2 | Very high | 75 Ų | 75 | 59.7 Ų | 59.7 | 46% | 0.455 | 35% | 0.346 | S | S | . | . | P | Polyproline II helix | trans | -67.1 | 125.3 | 168.9 | -179.2 | 0 | 0 | 0 | 0 | 108.1 | L55 V62 P66 | V53-L55 HydrophobicContact CG1-CD2 4.12Å; V53-V62 HydrophobicContact CG1-CB 4.4Å; V53-V62 HydrophobicContact CG1-CG1 3.67Å; V53-V62 HydrophobicContact CG1-CG2 3.98Å; V53-P66 HydrophobicContact CG2-CG 4.5Å |
| 54 | V | 94.2 | Very high | 94.3 | Very high | 34 Ų | 34 | 54.3 Ų | 54.3 | 21% | 0.206 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 122.4 | 178.6 | -177.1 | 0 | 0 | 0 | 0 | 109.2 | V46 A50 T52 L63 C64 | V46-V54 HydrophobicContact CG1-CG2 4.23Å; V46-V54 HydrophobicContact CG2-CG1 4.04Å; A50-V54 HydrophobicContact CB-CG2 4.12Å; T52-V54 PolarHBondContact O-N 3.06Å; V54-L63 PolarHBondContact O-N 2.75Å; V54-C64 VanDerWaalsContact CB-SG 3.58Å; V54-C64 VanDerWaalsContact CG2-SG 3.52Å; V54-C64 PolarHBondContact N-O 3.21Å |
| 55 | L | 94.6 | Very high | 94.3 | Very high | 91 Ų | 91 | 58.2 Ų | 58.2 | 48% | 0.476 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 148.5 | 178.7 | -57.7 | -179.9 | 0 | 0 | 0 | 110.8 | V53 V62 | V53-L55 HydrophobicContact CG1-CD2 4.12Å; L55-V62 HydrophobicContact CD2-CB 4.44Å; L55-V62 HydrophobicContact CD2-CG2 3.75Å |
| 56 | C | 94.5 | Very high | 94.4 | Very high | 2 Ų | 2 | 56.7 Ų | 56.7 | 1% | 0.014 | 33% | 0.327 | C | S | . | . | P | Polyproline II helix | trans | -70.7 | 131.6 | 169.4 | -173.2 | 0 | 0 | 0 | 0 | 110.5 | C37 C40 G58 S60 T61 L63 | C37-C56 HydrophobicContact CB-CB 4.34Å; C40-C56 PolarHBondContact SG-SG 2.65Å; C56-G58 PolarHBondContact O-N 3.44Å; C56-S60 VanDerWaalsContact O-CA 3.28Å; C56-S60 WeakPolarHBondContact O-CA 3.45Å; C56-S60 PolarHBondContact O-N 3.36Å; C56-T61 WeakPolarHBondContact CB-OG1 3.39Å; C56-T61 PolarHBondContact N-O 3.16Å; C56-L63 HydrophobicContact CB-CD1 3.99Å; C56-L63 HydrophobicContact CB-CD2 4.03Å; C56-L63 HydrophobicContact CB-CG 3.99Å |
| 57 | V | 91.3 | Very high | 94.5 | Very high | 127 Ų | 127 | 59.8 Ų | 59.8 | 77% | 0.77 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -24.1 | 178.5 | -175.7 | 0 | 0 | 0 | 0 | 112.7 | T44 | T44-V57 HydrophobicContact CG2-CG2 4.11Š|
| 58 | G | 90.6 | Very high | 94.5 | Very high | 35 Ų | 35 | 61 Ų | 61 | 36% | 0.361 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -46.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | C56 | C56-G58 PolarHBondContact O-N 3.44Š|
| 59 | C | 92.4 | Very high | 94.4 | Very high | 52 Ų | 52 | 62.4 Ų | 62.4 | 35% | 0.351 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -126 | 6.5 | -170.3 | 53.6 | 0 | 0 | 0 | 0 | 113.4 | C37 C40 T61 | C37-C59 PolarHBondContact SG-SG 3.2Å; C40-C59 HydrophobicContact CB-CB 4.26Å; C40-C59 PolarHBondContact SG-SG 3.43Å; C59-T61 HydrophobicContact CB-CG2 4.2Å; C59-T61 PolarHBondContact O-N 3.24Å; C59-T61 WeakPolarHBondContact SG-CG2 3.2Å; C59-T61 PolarHBondContact SG-OG1 3.28Å |
| 60 | S | 92.1 | Very high | 94.4 | Very high | 87 Ų | 87 | 65.5 Ų | 65.5 | 61% | 0.608 | 41% | 0.407 | S | S | * | . | trans | 57 | 15.4 | -178.9 | -55.6 | 0 | 0 | 0 | 0 | 114.8 | C56 | C56-S60 VanDerWaalsContact O-CA 3.28Å; C56-S60 WeakPolarHBondContact O-CA 3.45Å; C56-S60 PolarHBondContact O-N 3.36Å | ||
| 61 | T | 92.5 | Very high | 94.4 | Very high | 55 Ų | 55 | 65.6 Ų | 65.6 | 34% | 0.337 | 41% | 0.408 | S | S | . | . | trans | -67.9 | 140.5 | 174.1 | 57.7 | 0 | 0 | 0 | 0 | 110.1 | C37 C56 C59 L63 | C37-T61 PolarHBondContact SG-OG1 3.3Å; C56-T61 WeakPolarHBondContact CB-OG1 3.39Å; C56-T61 PolarHBondContact N-O 3.16Å; C59-T61 HydrophobicContact CB-CG2 4.2Å; C59-T61 PolarHBondContact O-N 3.24Å; C59-T61 WeakPolarHBondContact SG-CG2 3.2Å; C59-T61 PolarHBondContact SG-OG1 3.28Å; T61-L63 PolarHBondContact O-N 3.22Å | ||
| 62 | V | 94.1 | Very high | 94.5 | Very high | 53 Ų | 53 | 64.5 Ų | 64.5 | 32% | 0.321 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 122.8 | 172.7 | 178.8 | 0 | 0 | 0 | 0 | 109.6 | V53 L55 Q65 T74 | V53-V62 HydrophobicContact CG1-CB 4.4Å; V53-V62 HydrophobicContact CG1-CG1 3.67Å; V53-V62 HydrophobicContact CG1-CG2 3.98Å; L55-V62 HydrophobicContact CD2-CB 4.44Å; L55-V62 HydrophobicContact CD2-CG2 3.75Å; V62-Q65 HydrophobicContact CG1-CG 4.1Å; V62-T74 WeakPolarHBondContact O-CB 3.3Å; V62-T74 PolarHBondContact O-OG1 3.49Å |
| 63 | L | 94.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | -35.9 | 177.3 | -64.3 | 177.5 | 0 | 0 | 0 | 112.5 | V35 C37 T44 V54 C56 T61 T74 | V35-L63 HydrophobicContact CG1-CB 4.42Å; V35-L63 HydrophobicContact CG1-CD2 4.44Å; C37-L63 HydrophobicContact CB-CD2 3.89Å; T44-L63 HydrophobicContact CG2-CD1 4.13Å; T44-L63 WeakPolarHBondContact OG1-CD1 3.14Å; V54-L63 PolarHBondContact O-N 2.75Å; C56-L63 HydrophobicContact CB-CD1 3.99Å; C56-L63 HydrophobicContact CB-CD2 4.03Å; C56-L63 HydrophobicContact CB-CG 3.99Å; T61-L63 PolarHBondContact O-N 3.22Å; L63-T74 PolarHBondContact O-N 2.67Å; L63-T74 PolarHBondContact O-OG1 3.48Å |
| 64 | C | 94.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 153.2 | 172.5 | 70.7 | 0 | 0 | 0 | 0 | 112.6 | V54 A71 R72 L73 | V54-C64 VanDerWaalsContact CB-SG 3.58Å; V54-C64 VanDerWaalsContact CG2-SG 3.52Å; V54-C64 PolarHBondContact N-O 3.21Å; C64-A71 HydrophobicContact CB-CB 4.17Å; C64-R72 CarbonylContact C-O 3.53Å; C64-R72 WeakPolarHBondContact CA-O 3.44Å; C64-R72 VanDerWaalsContact CB-O 3.29Å; C64-R72 WeakPolarHBondContact CB-O 3.37Å; C64-L73 HydrophobicContact CB-CD2 4.1Å |
| 65 | Q | 95.2 | Very high | 94.2 | Very high | 99 Ų | 99 | 67.1 Ų | 67.1 | 46% | 0.463 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 143.7 | 171.3 | -67.3 | 179.2 | -14.8 | 0 | 0 | 110.4 | V62 R72 | V62-Q65 HydrophobicContact CG1-CG 4.1Å; Q65-R72 PolarHBondContact N-O 2.79Å; Q65-R72 PolarHBondContact O-N 3.33Å |
| 66 | P | 96.7 | Very high | 94 | Very high | 55 Ų | 55 | 65.9 Ų | 65.9 | 36% | 0.357 | 41% | 0.409 | S | S | . | . | trans | -68.9 | 145.9 | 178 | 29.9 | -34.8 | 0 | 0 | 0 | 111.5 | A50 Q51 V53 | A50-P66 WeakPolarHBondContact O-CA 3.41Å; A50-P66 WeakPolarHBondContact O-CB 3.46Å; Q51-P66 VanDerWaalsContact O-CB 3.26Å; Q51-P66 WeakPolarHBondContact O-CB 3.47Å; V53-P66 HydrophobicContact CG2-CG 4.5Å | ||
| 67 | T | 96.5 | Very high | 93.9 | Very high | 68 Ų | 68 | 66.8 Ų | 66.8 | 42% | 0.417 | 42% | 0.415 | S | S | . | . | trans | -135.9 | 175.2 | 171 | 77.9 | 0 | 0 | 0 | 0 | 109.1 | G69 K70 R72 | T67-G69 PolarHBondContact O-N 2.74Å; T67-G69 VanDerWaalsContact O-N 3.16Å; T67-G69 PolarHBondContact OG1-N 2.96Å; T67-G69 VanDerWaalsContact OG1-N 3.12Å; T67-K70 PolarHBondContact OG1-O 3.09Å; T67-R72 HydrophobicContact CG2-CB 3.9Å | ||
| 68 | G | 95.9 | Very high | 94 | Very high | 99 Ų | 99 | 63.8 Ų | 63.8 | 100% | 1.021 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -66 | -9.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 69 | G | 95.5 | Very high | 94.2 | Very high | 33 Ų | 33 | 67.3 Ų | 67.3 | 34% | 0.34 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -133.6 | -120.8 | -178 | 0 | 0 | 0 | 0 | 0 | 112 | H49 T67 | H49-G69 WeakPolarHBondContact CB-O 3.49Å; H49-G69 PolarHBondContact CD2-O 3.07Å; H49-G69 VanDerWaalsContact CD2-O 3.25Å; T67-G69 PolarHBondContact O-N 2.74Å; T67-G69 VanDerWaalsContact O-N 3.16Å; T67-G69 PolarHBondContact OG1-N 2.96Å; T67-G69 VanDerWaalsContact OG1-N 3.12Å |
| 70 | K | 95.7 | Very high | 94.3 | Very high | 124 Ų | 124 | 73.3 Ų | 73.3 | 54% | 0.539 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -71.7 | 135.7 | 173.6 | -68.6 | -176 | -179.4 | -178.5 | 0 | 110 | S48 T67 | S48-K70 CarbonylContact O-C 3.51Å; S48-K70 VanDerWaalsContact O-CA 3.26Å; S48-K70 WeakPolarHBondContact O-CA 3.37Å; T67-K70 PolarHBondContact OG1-O 3.09Å |
| 71 | A | 96.6 | Very high | 94.5 | Very high | 12 Ų | 12 | 76.8 Ų | 76.8 | 10% | 0.099 | 42% | 0.42 | C | S | . | . | trans | -58 | 141.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | S48 A50 C64 L73 | S48-A71 PolarHBondContact O-N 3.06Å; A50-A71 HydrophobicContact CB-CB 4Å; C64-A71 HydrophobicContact CB-CB 4.17Å; A71-L73 PolarHBondContact O-N 3.01Å | ||
| 72 | R | 95.8 | Very high | 94.5 | Very high | 156 Ų | 156 | 78.4 Ų | 78.4 | 59% | 0.589 | 42% | 0.423 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 114.7 | 177.1 | -178.4 | 179.4 | -179.5 | -178.3 | 0.3 | 108.4 | C64 Q65 T67 | C64-R72 CarbonylContact C-O 3.53Å; C64-R72 WeakPolarHBondContact CA-O 3.44Å; C64-R72 VanDerWaalsContact CB-O 3.29Å; C64-R72 WeakPolarHBondContact CB-O 3.37Å; Q65-R72 PolarHBondContact N-O 2.79Å; Q65-R72 PolarHBondContact O-N 3.33Å; T67-R72 HydrophobicContact CG2-CB 3.9Å |
| 73 | L | 95 | Very high | 94.1 | Very high | 42 Ų | 42 | 83.9 Ų | 83.9 | 22% | 0.22 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 145.6 | 173.2 | -69.2 | 170.4 | 0 | 0 | 0 | 110.2 | M33 V35 C64 A71 F79 | M33-L73 HydrophobicContact CE-CD2 4.26Å; V35-L73 HydrophobicContact CG1-CD2 4.06Å; V35-L73 HydrophobicContact CG2-CD2 3.79Å; C64-L73 HydrophobicContact CB-CD2 4.1Å; A71-L73 PolarHBondContact O-N 3.01Å; L73-F79 HydrophobicContact CD1-CB 4.14Å; L73-F79 HydrophobicContact CD1-CD1 3.32Å; L73-F79 HydrophobicContact CD1-CE1 3.87Å; L73-F79 HydrophobicContact CD1-CG 3.83Å |
| 74 | T | 93 | Very high | 92.9 | Very high | 53 Ų | 53 | 95.8 Ų | 95.8 | 33% | 0.325 | 50% | 0.5 | S | S | . | . | P | Polyproline II helix | trans | -65.9 | 143.5 | 171.4 | -54.9 | 0 | 0 | 0 | 0 | 110.1 | V62 L63 C77 | V62-T74 WeakPolarHBondContact O-CB 3.3Å; V62-T74 PolarHBondContact O-OG1 3.49Å; L63-T74 PolarHBondContact O-N 2.67Å; L63-T74 PolarHBondContact O-OG1 3.48Å; T74-C77 VanDerWaalsContact O-CB 3.28Å; T74-C77 WeakPolarHBondContact O-CB 3.48Å; T74-C77 PolarHBondContact O-N 2.97Å; T74-C77 VanDerWaalsContact O-N 3.17Å |
| 75 | E | 91.7 | Very high | 92.8 | Very high | 166 Ų | 166 | 100.6 Ų | 100.6 | 78% | 0.776 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | 139 | 177.8 | -65.2 | 177.3 | -174.3 | 0 | 0 | 111 | C77 | E75-C77 VanDerWaalsContact C-N 3.28Å; E75-C77 PolarHBondContact O-N 3.14Å |
| 76 | G | 90.3 | Very high | 92.6 | Very high | 66 Ų | 66 | 100.6 Ų | 100.6 | 68% | 0.68 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.3 | -12.3 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | S78 | G76-S78 PolarHBondContact O-N 2.98Š|
| 77 | C | 91.6 | Very high | 92.4 | Very high | 20 Ų | 20 | 103.2 Ų | 103.2 | 14% | 0.135 | 54% | 0.537 | C | S | . | . | trans | -68.8 | 127.8 | 169.5 | -70.2 | 0 | 0 | 0 | 0 | 110.5 | V35 P38 T74 E75 | V35-C77 HydrophobicContact CG1-CB 3.91Å; P38-C77 VanDerWaalsContact CD-SG 3.57Å; T74-C77 VanDerWaalsContact O-CB 3.28Å; T74-C77 WeakPolarHBondContact O-CB 3.48Å; T74-C77 PolarHBondContact O-N 2.97Å; T74-C77 VanDerWaalsContact O-N 3.17Å; E75-C77 VanDerWaalsContact C-N 3.28Å; E75-C77 PolarHBondContact O-N 3.14Å | ||
| 78 | S | 92.7 | Very high | 92.2 | Very high | 65 Ų | 65 | 105.2 Ų | 105.2 | 46% | 0.455 | 55% | 0.545 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 147.4 | 167 | 45.7 | 0 | 0 | 0 | 0 | 109.5 | V35 K36 G76 | V35-S78 WeakPolarHBondContact CA-O 3.43Å; K36-S78 WeakPolarHBondContact CB-OG 3.24Å; K36-S78 PolarHBondContact N-O 3.43Å; G76-S78 PolarHBondContact O-N 2.98Å |
| 79 | F | 94.4 | Very high | 92 | Very high | 108 Ų | 108 | 105.6 Ų | 105.6 | 47% | 0.474 | 52% | 0.515 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 149 | 178.1 | 76.2 | -84.4 | 0 | 0 | 0 | 112.3 | M33 D34 V35 L73 | M33-F79 HydrophobicContact CB-CD2 4.15Å; M33-F79 HydrophobicContact SD-CB 4.45Å; M33-F79 HydrophobicContact SD-CD2 3.82Å; M33-F79 HydrophobicContact SD-CE2 4.37Å; M33-F79 HydrophobicContact SD-CG 4.22Å; D34-F79 CarbonylContact O-C 3.58Å; D34-F79 WeakPolarHBondContact O-CA 3.2Å; V35-F79 HydrophobicContact CG2-CB 4.09Å; L73-F79 HydrophobicContact CD1-CB 4.14Å; L73-F79 HydrophobicContact CD1-CD1 3.32Å; L73-F79 HydrophobicContact CD1-CE1 3.87Å; L73-F79 HydrophobicContact CD1-CG 3.83Å |
| 80 | R | 95.3 | Very high | 91.7 | Very high | 178 Ų | 178 | 110.5 Ų | 110.5 | 67% | 0.672 | 53% | 0.526 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 131.6 | 170.3 | 177 | 180 | 172.6 | 176.1 | -1.3 | 108.9 | M33 D34 K82 | M33-R80 CarbonylContact C-O 3.46Å; M33-R80 WeakPolarHBondContact CA-O 3.28Å; M33-R80 WeakPolarHBondContact CB-O 3.45Å; D34-R80 PolarHBondContact N-O 3.35Å; D34-R80 PolarHBondContact O-N 3.41Å; R80-K82 PolarHBondContact O-N 3.34Å |
| 81 | R | 95.6 | Very high | 91.4 | Very high | 160 Ų | 160 | 109.5 Ų | 109.5 | 60% | 0.604 | 53% | 0.526 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 127.5 | 171.5 | -167.8 | 175.3 | 95.5 | 179.6 | 5.7 | 109.4 | Y31 | Y31-R81 HydrophobicContact CD2-CB 4.47Å; Y31-R81 HydrophobicContact CD2-CG 3.57Å; Y31-R81 HydrophobicContact CE2-CG 4.16Å; Y31-R81 HydrophobicContact CG-CG 3.89Å |
| 82 | K | 93.5 | Very high | 91 | Very high | 89 Ų | 89 | 117 Ų | 117 | 39% | 0.387 | 56% | 0.558 | S | S | . | * | P | Polyproline II helix | trans | -70.5 | 134.1 | 171.7 | -62.3 | -167 | 99 | 133.6 | 0 | 108.8 | F32 D34 T45 R80 | F32-K82 PolarHBondContact O-N 3.37Å; D34-K82 VanDerWaalsContact OD1-CD 3.31Å; D34-K82 WeakPolarHBondContact OD1-CD 3.41Å; D34-K82 WeakPolarHBondContact OD1-CE 3.32Å; D34-K82 IonicContact OD1-NZ 3.28Å; D34-K82 PolarHBondContact OD1-NZ 2.87Å; D34-K82 WeakPolarHBondContact OD2-CE 3.26Å; D34-K82 WeakPolarHBondContact OD2-CG 3.24Å; D34-K82 IonicContact OD2-NZ 2.67Å; D34-K82 PolarHBondContact OD2-NZ 3.4Å; T45-K82 HydrophobicContact CG2-CD 4.05Å; R80-K82 PolarHBondContact O-N 3.34Å |
| 83 | Q | 85.7 | Confident | 90.6 | Very high | 168 Ų | 168 | 113.8 Ų | 113.8 | 79% | 0.785 | 56% | 0.556 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 122.6 | 166 | -63.1 | -178 | 15.7 | 0 | 0 | 105.6 | ||
| 84 | H | 68.8 | Low | 90.2 | Very high | 250 Ų | 250 | 120.3 Ų | 120.3 | 100% | 1.157 | 59% | 0.586 | S | S | * | * | trans | -83.8 | 0 | 165.5 | -172.1 | -47.2 | 0 | 0 | 0 | 107.6 |
Retrieved 84 of 84 residues in 122.9 ms
(Link to these results)