| 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 | 35.7 | Very low | 53.2 | Low | 242 Ų | 242 | 130.5 Ų | 130.5 | 100% | 1.192 | 72% | 0.721 | S | S | * | * | 0 | 115.1 | 0 | -66.7 | -164.7 | -72.1 | 0 | 0 | 107 | I3 | M1-I3 PolarHBondContact O-N 2.67Š| |||
| 2 | A | 39.7 | Very low | 53.2 | Low | 103 Ų | 103 | 127.4 Ų | 127.4 | 85% | 0.851 | 72% | 0.715 | S | S | * | * | trans | -79.8 | 113 | 169 | 0 | 0 | 0 | 0 | 0 | 106.6 | T4 | A2-T4 PolarHBondContact O-N 3.23Š| ||
| 3 | I | 51.5 | Low | 53 | Low | 165 Ų | 165 | 127.9 Ų | 127.9 | 85% | 0.846 | 70% | 0.7 | S | S | * | * | trans | -84.2 | 107.7 | 170.9 | -143.8 | 165.7 | 0 | 0 | 0 | 105.2 | M1 D5 | M1-I3 PolarHBondContact O-N 2.67Å; I3-D5 PolarHBondContact O-N 3.46Å | ||
| 4 | T | 55.3 | Low | 53.1 | Low | 113 Ų | 113 | 134.8 Ų | 134.8 | 69% | 0.693 | 71% | 0.713 | S | S | * | * | trans | -79.1 | 107.9 | 162.3 | 49.4 | 0 | 0 | 0 | 0 | 104.7 | A2 V6 | A2-T4 PolarHBondContact O-N 3.23Å; T4-V6 WeakPolarHBondContact O-CG2 3.26Å; T4-V6 PolarHBondContact O-N 3.09Å | ||
| 5 | D | 52.1 | Low | 53.2 | Low | 127 Ų | 127 | 129.3 Ų | 129.3 | 68% | 0.679 | 70% | 0.701 | S | S | * | * | trans | -54.1 | 128.4 | 162.7 | -149.9 | -1.4 | 0 | 0 | 0 | 106 | I3 Y13 | I3-D5 PolarHBondContact O-N 3.46Å; D5-Y13 WeakPolarHBondContact O-CE2 3.2Å; D5-Y13 PolarHBondContact O-OH 3.19Å | ||
| 6 | V | 57.8 | Low | 54 | Low | 83 Ų | 83 | 128.3 Ų | 128.3 | 50% | 0.503 | 71% | 0.705 | S | S | . | * | trans | -114 | 107.2 | -178.1 | -177.6 | 0 | 0 | 0 | 0 | 105.2 | T4 | T4-V6 WeakPolarHBondContact O-CG2 3.26Å; T4-V6 PolarHBondContact O-N 3.09Å | ||
| 7 | D | 57.9 | Low | 55.3 | Low | 72 Ų | 72 | 126.2 Ų | 126.2 | 39% | 0.385 | 69% | 0.69 | S | S | . | * | trans | -50.3 | 138.7 | 172.1 | -77.4 | -21.8 | 0 | 0 | 0 | 108.9 | E9 N10 Y13 | D7-E9 PolarHBondContact O-N 3.11Å; D7-N10 WeakPolarHBondContact O-CA 3.41Å; D7-N10 PolarHBondContact O-N 2.72Å; D7-Y13 VanDerWaalsContact CG-OH 3.23Å; D7-Y13 PolarHBondContact N-OH 3.43Å; D7-Y13 PolarHBondContact OD1-OH 2.9Å | ||
| 8 | P | 59.7 | Low | 57 | Low | 138 Ų | 138 | 124.4 Ų | 124.4 | 90% | 0.896 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.2 | -13.6 | -176.6 | 18.7 | -29.6 | 0 | 0 | 0 | 113.9 | N10 | P8-N10 VanDerWaalsContact C-N 3.31Š|
| 9 | E | 62.7 | Low | 58.7 | Low | 133 Ų | 133 | 119.4 Ų | 119.4 | 62% | 0.621 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | -5 | 172.9 | -63.5 | -177.8 | 176.2 | 0 | 0 | 113.8 | D7 K11 | D7-E9 PolarHBondContact O-N 3.11Å; E9-K11 HydrophobicContact CB-CD 4.23Å; E9-K11 HydrophobicContact CB-CG 4.11Å; E9-K11 PolarHBondContact O-N 3.29Å; E9-K11 VanDerWaalsContact O-N 3.12Å; E9-K11 WeakPolarHBondContact OE2-CE 3.25Å; E9-K11 IonicContact OE2-NZ 2.66Å; E9-K11 PolarHBondContact OE2-NZ 3.07Å |
| 10 | N | 58.1 | Low | 60.4 | Low | 132 Ų | 132 | 118.6 Ų | 118.6 | 71% | 0.706 | 65% | 0.646 | S | S | * | * | trans | 50.7 | 32.2 | -175.8 | -164.1 | 56 | 0 | 0 | 0 | 112.8 | D7 P8 | D7-N10 WeakPolarHBondContact O-CA 3.41Å; D7-N10 PolarHBondContact O-N 2.72Å; P8-N10 VanDerWaalsContact C-N 3.31Å | ||
| 11 | K | 54.3 | Low | 62 | Low | 128 Ų | 128 | 113.2 Ų | 113.2 | 56% | 0.557 | 62% | 0.617 | S | S | * | * | trans | -89.2 | 134.3 | 176.4 | -72.8 | 179.3 | -172.9 | 154.6 | 0 | 109.2 | E9 Y13 | E9-K11 HydrophobicContact CB-CD 4.23Å; E9-K11 HydrophobicContact CB-CG 4.11Å; E9-K11 PolarHBondContact O-N 3.29Å; E9-K11 VanDerWaalsContact O-N 3.12Å; E9-K11 WeakPolarHBondContact OE2-CE 3.25Å; E9-K11 IonicContact OE2-NZ 2.66Å; E9-K11 PolarHBondContact OE2-NZ 3.07Å; K11-Y13 PolarHBondContact O-N 3.43Å | ||
| 12 | S | 53.9 | Low | 64.7 | Low | 93 Ų | 93 | 108.1 Ų | 108.1 | 65% | 0.65 | 59% | 0.594 | S | S | * | * | trans | -58.1 | 129.9 | 179.1 | -40.7 | 0 | 0 | 0 | 0 | 111.1 | Y14 G15 | S12-Y14 PolarHBondContact O-N 3.13Å; S12-G15 PolarHBondContact O-N 2.9Å; S12-G15 VanDerWaalsContact O-N 3.17Å | ||
| 13 | Y | 50.5 | Low | 67.1 | Low | 134 Ų | 134 | 106.7 Ų | 106.7 | 53% | 0.525 | 57% | 0.57 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -59.5 | -12.2 | 178.4 | -80.9 | -90.1 | 0 | 0 | 0 | 115 | D5 D7 K11 G15 | D5-Y13 WeakPolarHBondContact O-CE2 3.2Å; D5-Y13 PolarHBondContact O-OH 3.19Å; D7-Y13 VanDerWaalsContact CG-OH 3.23Å; D7-Y13 PolarHBondContact N-OH 3.43Å; D7-Y13 PolarHBondContact OD1-OH 2.9Å; K11-Y13 PolarHBondContact O-N 3.43Å; Y13-G15 VanDerWaalsContact C-N 3.29Å; Y13-G15 PolarHBondContact O-N 3.46Å |
| 14 | Y | 54.1 | Low | 68.9 | Low | 224 Ų | 224 | 106.4 Ų | 106.4 | 88% | 0.878 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.6 | 10.5 | 177.7 | -81.2 | -83.8 | 0 | 0 | 0 | 114.5 | S12 | S12-Y14 PolarHBondContact O-N 3.13Š|
| 15 | G | 55.3 | Low | 70.7 | Confident | 52 Ų | 52 | 105.9 Ų | 105.9 | 54% | 0.536 | 57% | 0.569 | S | S | . | * | trans | 82.6 | 165.9 | 167.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | S12 Y13 E17 | S12-G15 PolarHBondContact O-N 2.9Å; S12-G15 VanDerWaalsContact O-N 3.17Å; Y13-G15 VanDerWaalsContact C-N 3.29Å; Y13-G15 PolarHBondContact O-N 3.46Å; G15-E17 PolarHBondContact O-N 3.14Å | ||
| 16 | C | 65.6 | Low | 72.5 | Confident | 113 Ų | 113 | 103 Ų | 103 | 76% | 0.764 | 57% | 0.569 | S | S | * | * | trans | -73.8 | 118 | 170.8 | -72 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 17 | E | 76.1 | Confident | 74.1 | Confident | 94 Ų | 94 | 103.6 Ų | 103.6 | 44% | 0.439 | 57% | 0.569 | S | S | . | * | trans | -76.6 | 128.9 | 169.9 | -69.2 | -178.5 | 176.6 | 0 | 0 | 109.7 | G15 P39 I40 | G15-E17 PolarHBondContact O-N 3.14Å; E17-P39 WeakPolarHBondContact OE2-CA 3.5Å; E17-I40 HydrophobicContact CB-CD1 4.29Å; E17-I40 HydrophobicContact CB-CG1 4.45Å; E17-I40 PolarHBondContact OE2-N 3.01Å | ||
| 18 | T | 85.1 | Confident | 75.7 | Confident | 94 Ų | 94 | 103.4 Ų | 103.4 | 58% | 0.577 | 58% | 0.578 | S | S | * | * | trans | -110.3 | 138.3 | 176.2 | 56 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 19 | L | 90.4 | Very high | 77.2 | Confident | 28 Ų | 28 | 99.2 Ų | 99.2 | 15% | 0.147 | 55% | 0.552 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -109.1 | 124.9 | 177.3 | -173.8 | 63.1 | 0 | 0 | 0 | 109.5 | I31 L33 I40 V43 V54 | L19-I31 HydrophobicContact CB-CB 4.12Å; L19-I31 HydrophobicContact CD2-CB 4.29Å; L19-I31 HydrophobicContact CD2-CD1 3.71Å; L19-I31 HydrophobicContact CD2-CG1 4.42Å; L19-I31 HydrophobicContact CD2-CG2 4.37Å; L19-I31 HydrophobicContact CG-CB 4.26Å; L19-I31 HydrophobicContact CG-CD1 3.84Å; L19-I31 HydrophobicContact CG-CG1 4.24Å; L19-I31 WeakPolarHBondContact O-CB 3.49Å; L19-I31 PolarHBondContact O-N 3.27Å; L19-L33 HydrophobicContact CB-CD1 4.38Å; L19-I40 HydrophobicContact CB-CD1 3.81Å; L19-I40 HydrophobicContact CD1-CD1 4.25Å; L19-I40 HydrophobicContact CG-CD1 4.42Å; L19-V43 HydrophobicContact CD1-CG2 4.33Å; L19-V54 HydrophobicContact CD2-CB 4.38Å; L19-V54 HydrophobicContact CD2-CG1 3.92Å; L19-V54 HydrophobicContact CD2-CG2 3.55Å |
| 20 | H | 92.4 | Very high | 78.6 | Confident | 104 Ų | 104 | 96.8 Ų | 96.8 | 48% | 0.481 | 54% | 0.542 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 130.7 | 177.9 | -70 | -96.1 | 0 | 0 | 0 | 110.2 | C29 L30 | H20-C29 WeakPolarHBondContact CA-O 3.23Å; H20-L30 VanDerWaalsContact CE1-CD1 3.5Å; H20-L30 WeakPolarHBondContact CE1-CD1 3.18Å |
| 21 | L | 93.8 | Very high | 80.2 | Confident | 5 Ų | 5 | 90.9 Ų | 90.9 | 3% | 0.026 | 51% | 0.511 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 120.7 | 169.3 | 175.2 | 59.6 | 0 | 0 | 0 | 109 | A28 C29 I31 W45 F52 L68 A70 | L21-A28 CarbonylContact O-C 3.58Å; L21-A28 VanDerWaalsContact O-CA 3.32Å; L21-A28 WeakPolarHBondContact O-CA 3.44Å; L21-C29 HydrophobicContact CB-CB 4.42Å; L21-C29 PolarHBondContact N-O 3Å; L21-C29 PolarHBondContact O-N 2.83Å; L21-I31 HydrophobicContact CB-CD1 4.19Å; L21-I31 HydrophobicContact CB-CG1 4.29Å; L21-W45 HydrophobicContact CD1-CH2 3.54Å; L21-W45 HydrophobicContact CD1-CZ2 4.04Å; L21-F52 HydrophobicContact CD1-CE1 4.12Å; L21-F52 HydrophobicContact CD2-CE1 4.2Å; L21-L68 VanDerWaalsContact CD2-O 3.23Å; L21-L68 WeakPolarHBondContact CD2-O 3.24Å; L21-A70 HydrophobicContact CD2-CB 4.37Å |
| 22 | L | 93.5 | Very high | 81.8 | Confident | 135 Ų | 135 | 90.8 Ų | 90.8 | 71% | 0.707 | 52% | 0.515 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 127.5 | 175 | -59.7 | 177.6 | 0 | 0 | 0 | 109.8 | A28 | L22-A28 HydrophobicContact CD2-CB 3.72Å |
| 23 | Q | 89.8 | Confident | 83.2 | Confident | 74 Ų | 74 | 87.4 Ų | 87.4 | 35% | 0.346 | 49% | 0.489 | S | S | . | . | P | Polyproline II helix | trans | -102.1 | 156.6 | 178.1 | -67.5 | -173.6 | -36.7 | 0 | 0 | 111.4 | N25 G26 D27 L68 | Q23-N25 WeakPolarHBondContact CB-OD1 3.41Å; Q23-N25 PolarHBondContact O-N 2.81Å; Q23-G26 PolarHBondContact O-N 3.49Å; Q23-G26 VanDerWaalsContact O-N 3.11Å; Q23-D27 HydrophobicContact CB-CB 4.49Å; Q23-D27 PolarHBondContact N-O 3.09Å; Q23-L68 PolarHBondContact NE2-O 3.03Å |
| 24 | T | 89.4 | Confident | 84.3 | Confident | 159 Ų | 159 | 83.3 Ų | 83.3 | 98% | 0.975 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -17.6 | -177.8 | 51.4 | 0 | 0 | 0 | 0 | 114 | G26 | T24-G26 PolarHBondContact O-N 3Š|
| 25 | N | 91.4 | Very high | 84.8 | Confident | 102 Ų | 102 | 83.1 Ų | 83.1 | 55% | 0.545 | 49% | 0.492 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -3.1 | 173.9 | 66.6 | -13.6 | 0 | 0 | 0 | 113.2 | Q23 D27 | Q23-N25 WeakPolarHBondContact CB-OD1 3.41Å; Q23-N25 PolarHBondContact O-N 2.81Å; N25-D27 PolarHBondContact ND2-OD2 2.8Å; N25-D27 WeakPolarHBondContact OD1-CB 3.48Å; N25-D27 PolarHBondContact OD1-N 2.92Å |
| 26 | G | 90.7 | Very high | 85.1 | Confident | 67 Ų | 67 | 84.5 Ų | 84.5 | 69% | 0.691 | 49% | 0.487 | S | S | * | . | S | Bend | trans | 91.8 | -3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q23 T24 | Q23-G26 PolarHBondContact O-N 3.49Å; Q23-G26 VanDerWaalsContact O-N 3.11Å; T24-G26 PolarHBondContact O-N 3Å |
| 27 | D | 91.5 | Very high | 85.1 | Confident | 94 Ų | 94 | 80.7 Ų | 80.7 | 50% | 0.503 | 47% | 0.467 | S | S | . | . | trans | -74 | 147.5 | 174.2 | -69.5 | -26.8 | 0 | 0 | 0 | 111 | Q23 N25 | Q23-D27 HydrophobicContact CB-CB 4.49Å; Q23-D27 PolarHBondContact N-O 3.09Å; N25-D27 PolarHBondContact ND2-OD2 2.8Å; N25-D27 WeakPolarHBondContact OD1-CB 3.48Å; N25-D27 PolarHBondContact OD1-N 2.92Å | ||
| 28 | A | 91.6 | Very high | 85.2 | Confident | 69 Ų | 69 | 77.2 Ų | 77.2 | 57% | 0.57 | 46% | 0.456 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 134.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | L21 L22 | L21-A28 CarbonylContact O-C 3.58Å; L21-A28 VanDerWaalsContact O-CA 3.32Å; L21-A28 WeakPolarHBondContact O-CA 3.44Å; L22-A28 HydrophobicContact CD2-CB 3.72Å |
| 29 | C | 91.7 | Very high | 85.2 | Confident | 50 Ų | 50 | 75.3 Ų | 75.3 | 34% | 0.338 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 134.2 | 175.9 | -166.3 | 0 | 0 | 0 | 0 | 110.3 | H20 L21 A70 | H20-C29 WeakPolarHBondContact CA-O 3.23Å; L21-C29 HydrophobicContact CB-CB 4.42Å; L21-C29 PolarHBondContact N-O 3Å; L21-C29 PolarHBondContact O-N 2.83Å; C29-A70 HydrophobicContact CB-CB 4.22Å |
| 30 | L | 90.9 | Very high | 85.2 | Confident | 82 Ų | 82 | 75.8 Ų | 75.8 | 43% | 0.429 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 127.5 | 172.6 | 179.4 | 71.3 | 0 | 0 | 0 | 109.3 | H20 I32 | H20-L30 VanDerWaalsContact CE1-CD1 3.5Å; H20-L30 WeakPolarHBondContact CE1-CD1 3.18Å; L30-I32 HydrophobicContact CD2-CD1 3.7Å; L30-I32 HydrophobicContact CG-CD1 4.01Å |
| 31 | I | 91.9 | Very high | 85.1 | Confident | 8 Ų | 8 | 73.9 Ų | 73.9 | 4% | 0.041 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 120.3 | 175.4 | -51.4 | -165.8 | 0 | 0 | 0 | 109.2 | L19 L21 L33 F52 F66 A70 | L19-I31 HydrophobicContact CB-CB 4.12Å; L19-I31 HydrophobicContact CD2-CB 4.29Å; L19-I31 HydrophobicContact CD2-CD1 3.71Å; L19-I31 HydrophobicContact CD2-CG1 4.42Å; L19-I31 HydrophobicContact CD2-CG2 4.37Å; L19-I31 HydrophobicContact CG-CB 4.26Å; L19-I31 HydrophobicContact CG-CD1 3.84Å; L19-I31 HydrophobicContact CG-CG1 4.24Å; L19-I31 WeakPolarHBondContact O-CB 3.49Å; L19-I31 PolarHBondContact O-N 3.27Å; L21-I31 HydrophobicContact CB-CD1 4.19Å; L21-I31 HydrophobicContact CB-CG1 4.29Å; I31-L33 HydrophobicContact CG2-CD2 3.96Å; I31-L33 PolarHBondContact O-N 2.76Å; I31-F52 HydrophobicContact CD1-CE2 3.34Å; I31-F52 HydrophobicContact CD1-CZ 3.25Å; I31-F66 HydrophobicContact CG2-CD1 4.04Å; I31-F66 HydrophobicContact CG2-CD2 4.48Å; I31-F66 HydrophobicContact CG2-CE1 3.59Å; I31-F66 HydrophobicContact CG2-CE2 4.04Å; I31-F66 HydrophobicContact CG2-CG 4.47Å; I31-F66 HydrophobicContact CG2-CZ 3.58Å; I31-A70 HydrophobicContact CD1-CB 4.47Å; I31-A70 HydrophobicContact CG1-CB 3.89Å |
| 32 | I | 87.4 | Confident | 85.1 | Confident | 126 Ų | 126 | 74.4 Ų | 74.4 | 65% | 0.646 | 44% | 0.444 | S | S | * | . | trans | -88.9 | 103.9 | 178.5 | -52.4 | -59.4 | 0 | 0 | 0 | 109.2 | L30 G34 | L30-I32 HydrophobicContact CD2-CD1 3.7Å; L30-I32 HydrophobicContact CG-CD1 4.01Å; I32-G34 PolarHBondContact O-N 2.9Å | ||
| 33 | L | 83.7 | Confident | 85.1 | Confident | 21 Ų | 21 | 70.8 Ų | 70.8 | 11% | 0.11 | 43% | 0.427 | C | S | . | . | trans | -79.7 | 7.3 | 179.3 | -60.9 | 175.9 | 0 | 0 | 0 | 113.8 | L19 I31 I40 V54 H56 F66 | L19-L33 HydrophobicContact CB-CD1 4.38Å; I31-L33 HydrophobicContact CG2-CD2 3.96Å; I31-L33 PolarHBondContact O-N 2.76Å; L33-I40 HydrophobicContact CD1-CD1 3.97Å; L33-I40 HydrophobicContact CD1-CG1 3.8Å; L33-V54 HydrophobicContact CD2-CG1 4.18Å; L33-H56 HydrophobicContact CD1-CB 4.11Å; L33-H56 PolarHBondContact O-CE1 2.88Å; L33-F66 HydrophobicContact CD2-CE2 4.05Å; L33-F66 HydrophobicContact CD2-CZ 3.91Å | ||
| 34 | G | 73.8 | Confident | 85.4 | Confident | 48 Ų | 48 | 70.5 Ų | 70.5 | 50% | 0.495 | 43% | 0.426 | S | S | . | . | trans | 77.7 | -176.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | I32 D36 G37 | I32-G34 PolarHBondContact O-N 2.9Å; G34-D36 PolarHBondContact O-N 2.75Å; G34-G37 WeakPolarHBondContact O-CA 3.44Å; G34-G37 PolarHBondContact O-N 3.11Å | ||
| 35 | K | 64.5 | Low | 85.7 | Confident | 221 Ų | 221 | 67.7 Ų | 67.7 | 96% | 0.961 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -22.9 | 179.6 | -90.8 | -173.7 | 174.5 | -178.3 | 0 | 113.8 | G37 | K35-G37 PolarHBondContact O-N 3.37Š|
| 36 | D | 62.2 | Low | 85.8 | Confident | 80 Ų | 80 | 63.8 Ų | 63.8 | 43% | 0.428 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | 16.7 | 173.1 | -55.1 | -34.8 | 0 | 0 | 0 | 111.7 | G34 G38 G57 K62 | G34-D36 PolarHBondContact O-N 2.75Å; D36-G38 PolarHBondContact O-N 3.21Å; D36-G57 VanDerWaalsContact O-CA 3.28Å; D36-G57 WeakPolarHBondContact O-CA 3.43Å; D36-K62 IonicContact OD2-NZ 3.88Å; D36-K62 PolarHBondContact OD2-NZ 2.8Å |
| 37 | G | 65.4 | Low | 86 | Confident | 34 Ų | 34 | 63.7 Ų | 63.7 | 35% | 0.351 | 36% | 0.363 | S | S | . | . | trans | -61.2 | 75.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | G34 K35 | G34-G37 WeakPolarHBondContact O-CA 3.44Å; G34-G37 PolarHBondContact O-N 3.11Å; K35-G37 PolarHBondContact O-N 3.37Å | ||
| 38 | G | 78.1 | Confident | 86.1 | Confident | 21 Ų | 21 | 64.9 Ų | 64.9 | 22% | 0.216 | 37% | 0.365 | C | S | . | . | trans | -90.9 | -157.7 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | D36 | D36-G38 PolarHBondContact O-N 3.21Š| ||
| 39 | P | 85.4 | Confident | 86.1 | Confident | 53 Ų | 53 | 64.9 Ų | 64.9 | 34% | 0.344 | 36% | 0.362 | S | S | . | . | trans | -62.1 | 147.8 | -176.8 | 26.7 | -34.3 | 0 | 0 | 0 | 111.6 | E17 H56 G57 | E17-P39 WeakPolarHBondContact OE2-CA 3.5Å; P39-H56 CarbonylContact O-C 3.54Å; P39-H56 VanDerWaalsContact O-CA 3.3Å; P39-H56 WeakPolarHBondContact O-CA 3.46Å; P39-G57 PolarHBondContact O-N 2.75Å | ||
| 40 | I | 90.1 | Very high | 86 | Confident | 38 Ų | 38 | 68.5 Ų | 68.5 | 20% | 0.195 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 112.9 | 172.8 | -59.6 | 168.9 | 0 | 0 | 0 | 107 | E17 L19 L33 V43 V54 | E17-I40 HydrophobicContact CB-CD1 4.29Å; E17-I40 HydrophobicContact CB-CG1 4.45Å; E17-I40 PolarHBondContact OE2-N 3.01Å; L19-I40 HydrophobicContact CB-CD1 3.81Å; L19-I40 HydrophobicContact CD1-CD1 4.25Å; L19-I40 HydrophobicContact CG-CD1 4.42Å; L33-I40 HydrophobicContact CD1-CD1 3.97Å; L33-I40 HydrophobicContact CD1-CG1 3.8Å; I40-V43 HydrophobicContact CG2-CG2 3.67Å; I40-V54 HydrophobicContact CG2-CG1 4.08Å |
| 41 | H | 90.4 | Very high | 86.2 | Confident | 65 Ų | 65 | 66.8 Ų | 66.8 | 30% | 0.301 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | -37.4 | -178.8 | -59.1 | -77.6 | 0 | 0 | 0 | 112 | V55 G57 | H41-V55 HydrophobicContact CB-CB 4.25Å; H41-V55 HydrophobicContact CB-CG1 3.97Å; H41-V55 PolarHBondContact N-O 2.92Å; H41-G57 PolarHBondContact NE2-O 3.19Å |
| 42 | A | 93.1 | Very high | 86.4 | Confident | 15 Ų | 15 | 66.6 Ų | 66.6 | 12% | 0.124 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.6 | 149.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | V55 V84 | A42-V55 HydrophobicContact CB-CB 4.29Å; A42-V55 HydrophobicContact CB-CG2 4.28Å; A42-V55 PolarHBondContact N-O 2.82Å; A42-V55 PolarHBondContact O-N 2.81Å; A42-V84 HydrophobicContact CB-CG1 4.29Å |
| 43 | V | 94.8 | Very high | 86.8 | Confident | 59 Ų | 59 | 60.6 Ų | 60.6 | 36% | 0.358 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 127.9 | 170.5 | -178.8 | 0 | 0 | 0 | 0 | 107.7 | L19 I40 F52 C53 V54 | L19-V43 HydrophobicContact CD1-CG2 4.33Å; I40-V43 HydrophobicContact CG2-CG2 3.67Å; V43-F52 HydrophobicContact CG1-CD2 4.47Å; V43-C53 WeakPolarHBondContact CA-O 3.23Å; V43-V54 HydrophobicContact CG1-CG2 4.41Å; V43-V54 HydrophobicContact CG2-CG1 4.24Å; V43-V54 HydrophobicContact CG2-CG2 4.36Å |
| 44 | Q | 95.7 | Very high | 87.3 | Confident | 68 Ų | 68 | 59.6 Ų | 59.6 | 32% | 0.318 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 131 | 177.4 | -178 | 64.4 | 50.4 | 0 | 0 | 110.7 | F52 C53 V84 F86 | Q44-F52 CarbonylContact O-C 3.53Å; Q44-F52 VanDerWaalsContact O-CA 3.31Å; Q44-F52 WeakPolarHBondContact O-CA 3.26Å; Q44-F52 WeakPolarHBondContact O-CB 3.34Å; Q44-C53 PolarHBondContact N-O 3.05Å; Q44-C53 PolarHBondContact O-N 3.31Å; Q44-V84 HydrophobicContact CB-CG1 3.82Å; Q44-V84 VanDerWaalsContact CB-O 3.24Å; Q44-V84 WeakPolarHBondContact CB-O 3.43Å; Q44-V84 WeakPolarHBondContact CG-O 3.14Å; Q44-F86 HydrophobicContact CB-CD2 4.26Å; Q44-F86 HydrophobicContact CB-CE2 4.33Å; Q44-F86 HydrophobicContact CG-CD2 3.56Å; Q44-F86 HydrophobicContact CG-CE2 4.1Å; Q44-F86 WeakPolarHBondContact O-CE2 3.47Å |
| 45 | W | 95 | Very high | 88.2 | Confident | 101 Ų | 101 | 57.3 Ų | 57.3 | 38% | 0.383 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 142.4 | 173.5 | -73.9 | 92.3 | 0 | 0 | 0 | 111.6 | L21 F52 L68 | L21-W45 HydrophobicContact CD1-CH2 3.54Å; L21-W45 HydrophobicContact CD1-CZ2 4.04Å; W45-F52 HydrophobicContact CD2-CB 3.82Å; W45-F52 HydrophobicContact CD2-CG 4.45Å; W45-F52 HydrophobicContact CE3-CB 3.71Å; W45-F52 HydrophobicContact CE3-CD1 4.03Å; W45-F52 HydrophobicContact CE3-CG 4.24Å; W45-F52 HydrophobicContact CG-CB 4.3Å; W45-F52 HydrophobicContact CH2-CB 4.5Å; W45-F52 AromaticContact CH2-CD1 3.57Å; W45-F52 HydrophobicContact CH2-CD1 3.57Å; W45-F52 HydrophobicContact CH2-CE1 4.08Å; W45-F52 HydrophobicContact CH2-CG 4.18Å; W45-F52 HydrophobicContact CZ2-CD1 4.18Å; W45-F52 HydrophobicContact CZ2-CG 4.38Å; W45-F52 HydrophobicContact CZ3-CB 4.08Å; W45-F52 AromaticContact CZ3-CD1 3.48Å; W45-F52 HydrophobicContact CZ3-CD1 3.48Å; W45-F52 VanDerWaalsContact CZ3-CD1 3.48Å; W45-F52 HydrophobicContact CZ3-CE1 4.31Å; W45-F52 HydrophobicContact CZ3-CG 4.1Å; W45-L68 HydrophobicContact CH2-CD2 4.31Å; W45-L68 HydrophobicContact CZ3-CD2 3.86Å |
| 46 | H | 94.8 | Very high | 89.5 | Confident | 19 Ų | 19 | 47.1 Ų | 47.1 | 9% | 0.088 | 26% | 0.256 | C | S | . | . | trans | -61.9 | 143.1 | 163.7 | -176.7 | -84.2 | 0 | 0 | 0 | 109.3 | E48 S49 E51 F86 G90 | H46-E48 PolarHBondContact ND1-N 3.47Å; H46-E48 VanDerWaalsContact ND1-N 3.13Å; H46-E48 PolarHBondContact O-N 2.81Å; H46-E48 VanDerWaalsContact O-N 3.09Å; H46-S49 WeakPolarHBondContact O-CA 3.1Å; H46-S49 PolarHBondContact O-N 3.07Å; H46-E51 HydrophobicContact CB-CG 3.55Å; H46-E51 WeakPolarHBondContact CB-O 3.39Å; H46-E51 IonicContact CD2-OE1 2.67Å; H46-E51 PolarHBondContact CD2-OE1 3.06Å; H46-E51 PolarHBondContact N-O 3.1Å; H46-F86 HydrophobicContact CB-CD1 4.3Å; H46-F86 HydrophobicContact CB-CE1 4.09Å; H46-F86 HydrophobicContact CB-CZ 4.31Å; H46-F86 AromaticContact CD2-CD1 3.73Å; H46-F86 AromaticContact CD2-CE1 3.74Å; H46-G90 PolarHBondContact CD2-O 3.47Å; H46-G90 WeakPolarHBondContact NE2-CA 3.34Å; H46-G90 PolarHBondContact NE2-O 2.98Å | ||
| 47 | P | 94.5 | Very high | 90.8 | Very high | 66 Ų | 66 | 43.4 Ų | 43.4 | 43% | 0.429 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -31.7 | -175.8 | -25.8 | 32.6 | 0 | 0 | 0 | 114.6 | S49 F86 N87 | P47-S49 VanDerWaalsContact C-N 3.35Å; P47-F86 HydrophobicContact CG-CB 4.28Å; P47-N87 WeakPolarHBondContact CG-O 3.3Å |
| 48 | E | 92.7 | Very high | 91.7 | Very high | 118 Ų | 118 | 45.9 Ų | 45.9 | 55% | 0.551 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88 | 5.2 | 176.4 | -57.8 | -170.4 | 147.1 | 0 | 0 | 114.4 | H46 K50 | H46-E48 PolarHBondContact ND1-N 3.47Å; H46-E48 VanDerWaalsContact ND1-N 3.13Å; H46-E48 PolarHBondContact O-N 2.81Å; H46-E48 VanDerWaalsContact O-N 3.09Å; E48-K50 HydrophobicContact CB-CD 4.22Å; E48-K50 HydrophobicContact CB-CG 4.23Å; E48-K50 PolarHBondContact O-N 2.83Å; E48-K50 VanDerWaalsContact O-N 3.14Å; E48-K50 VanDerWaalsContact OE2-CE 3.26Å; E48-K50 WeakPolarHBondContact OE2-CE 3.37Å; E48-K50 IonicContact OE2-NZ 2.75Å; E48-K50 PolarHBondContact OE2-NZ 2.79Å |
| 49 | S | 91.9 | Very high | 92.1 | Very high | 70 Ų | 70 | 49.2 Ų | 49.2 | 49% | 0.49 | 26% | 0.258 | S | S | . | . | S | Bend | trans | 54 | 32.6 | 179.5 | -55.8 | 0 | 0 | 0 | 0 | 114.6 | H46 P47 L68 | H46-S49 WeakPolarHBondContact O-CA 3.1Å; H46-S49 PolarHBondContact O-N 3.07Å; P47-S49 VanDerWaalsContact C-N 3.35Å; S49-L68 WeakPolarHBondContact O-CD2 3.5Å |
| 50 | K | 90.9 | Very high | 92.3 | Very high | 126 Ų | 126 | 50.1 Ų | 50.1 | 55% | 0.548 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -94.8 | -20.9 | 177.1 | -67.4 | 175.6 | -176.6 | 164.8 | 0 | 113.1 | E48 L68 | E48-K50 HydrophobicContact CB-CD 4.22Å; E48-K50 HydrophobicContact CB-CG 4.23Å; E48-K50 PolarHBondContact O-N 2.83Å; E48-K50 VanDerWaalsContact O-N 3.14Å; E48-K50 VanDerWaalsContact OE2-CE 3.26Å; E48-K50 WeakPolarHBondContact OE2-CE 3.37Å; E48-K50 IonicContact OE2-NZ 2.75Å; E48-K50 PolarHBondContact OE2-NZ 2.79Å; K50-L68 WeakPolarHBondContact O-CG 3.26Å |
| 51 | E | 94.6 | Very high | 92.2 | Very high | 46 Ų | 46 | 48.3 Ų | 48.3 | 22% | 0.215 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 166.3 | -177.5 | 61.5 | -175.6 | -157.5 | 0 | 0 | 109.4 | H46 L65 F66 I73 | H46-E51 HydrophobicContact CB-CG 3.55Å; H46-E51 WeakPolarHBondContact CB-O 3.39Å; H46-E51 IonicContact CD2-OE1 2.67Å; H46-E51 PolarHBondContact CD2-OE1 3.06Å; H46-E51 PolarHBondContact N-O 3.1Å; E51-L65 HydrophobicContact CB-CD1 4.28Å; E51-L65 HydrophobicContact CG-CD1 4.06Å; E51-F66 CarbonylContact C-O 3.56Å; E51-F66 WeakPolarHBondContact CA-O 3.46Å; E51-F66 VanDerWaalsContact CB-O 3.23Å; E51-F66 WeakPolarHBondContact CB-O 3.34Å; E51-I73 HydrophobicContact CB-CD1 4.14Å |
| 52 | F | 95.6 | Very high | 92.3 | Very high | 3 Ų | 3 | 48.7 Ų | 48.7 | 1% | 0.013 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 148.8 | 176.8 | 57.7 | -81.9 | 0 | 0 | 0 | 110.4 | L21 I31 V43 Q44 W45 V54 F66 D67 | L21-F52 HydrophobicContact CD1-CE1 4.12Å; L21-F52 HydrophobicContact CD2-CE1 4.2Å; I31-F52 HydrophobicContact CD1-CE2 3.34Å; I31-F52 HydrophobicContact CD1-CZ 3.25Å; V43-F52 HydrophobicContact CG1-CD2 4.47Å; Q44-F52 CarbonylContact O-C 3.53Å; Q44-F52 VanDerWaalsContact O-CA 3.31Å; Q44-F52 WeakPolarHBondContact O-CA 3.26Å; Q44-F52 WeakPolarHBondContact O-CB 3.34Å; W45-F52 HydrophobicContact CD2-CB 3.82Å; W45-F52 HydrophobicContact CD2-CG 4.45Å; W45-F52 HydrophobicContact CE3-CB 3.71Å; W45-F52 HydrophobicContact CE3-CD1 4.03Å; W45-F52 HydrophobicContact CE3-CG 4.24Å; W45-F52 HydrophobicContact CG-CB 4.3Å; W45-F52 HydrophobicContact CH2-CB 4.5Å; W45-F52 AromaticContact CH2-CD1 3.57Å; W45-F52 HydrophobicContact CH2-CD1 3.57Å; W45-F52 HydrophobicContact CH2-CE1 4.08Å; W45-F52 HydrophobicContact CH2-CG 4.18Å; W45-F52 HydrophobicContact CZ2-CD1 4.18Å; W45-F52 HydrophobicContact CZ2-CG 4.38Å; W45-F52 HydrophobicContact CZ3-CB 4.08Å; W45-F52 AromaticContact CZ3-CD1 3.48Å; W45-F52 HydrophobicContact CZ3-CD1 3.48Å; W45-F52 VanDerWaalsContact CZ3-CD1 3.48Å; W45-F52 HydrophobicContact CZ3-CE1 4.31Å; W45-F52 HydrophobicContact CZ3-CG 4.1Å; F52-V54 HydrophobicContact CD2-CG2 3.73Å; F52-V54 HydrophobicContact CE2-CG2 3.8Å; F52-F66 HydrophobicContact CD1-CB 4.33Å; F52-F66 HydrophobicContact CD2-CB 4.15Å; F52-F66 HydrophobicContact CD2-CD2 4.42Å; F52-F66 HydrophobicContact CE1-CB 3.77Å; F52-F66 HydrophobicContact CE2-CB 3.56Å; F52-F66 AromaticContact CE2-CD2 3.86Å; F52-F66 HydrophobicContact CE2-CD2 3.86Å; F52-F66 AromaticContact CE2-CG 3.95Å; F52-F66 HydrophobicContact CE2-CG 3.95Å; F52-F66 HydrophobicContact CG-CB 4.49Å; F52-F66 HydrophobicContact CZ-CB 3.33Å; F52-F66 HydrophobicContact CZ-CD2 4.41Å; F52-F66 HydrophobicContact CZ-CG 4.03Å; F52-F66 PolarHBondContact N-O 3.06Å; F52-F66 PolarHBondContact O-N 2.85Å; F52-D67 WeakPolarHBondContact CE1-O 3.37Å |
| 53 | C | 95.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 136.5 | 178.4 | -167.1 | 0 | 0 | 0 | 0 | 109.9 | V43 Q44 T64 L65 V84 F86 | V43-C53 WeakPolarHBondContact CA-O 3.23Å; Q44-C53 PolarHBondContact N-O 3.05Å; Q44-C53 PolarHBondContact O-N 3.31Å; C53-T64 WeakPolarHBondContact CA-O 3.32Å; C53-L65 HydrophobicContact CB-CD1 4.18Å; C53-V84 HydrophobicContact CB-CG1 4.28Å; C53-V84 HydrophobicContact CB-CG2 4.07Å; C53-F86 HydrophobicContact CB-CE2 3.76Å; C53-F86 HydrophobicContact CB-CZ 3.9Å |
| 54 | V | 94.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 128.1 | 178.7 | -176.6 | 0 | 0 | 0 | 0 | 108.4 | L19 L33 I40 V43 F52 H56 A63 T64 F66 | L19-V54 HydrophobicContact CD2-CB 4.38Å; L19-V54 HydrophobicContact CD2-CG1 3.92Å; L19-V54 HydrophobicContact CD2-CG2 3.55Å; L33-V54 HydrophobicContact CD2-CG1 4.18Å; I40-V54 HydrophobicContact CG2-CG1 4.08Å; V43-V54 HydrophobicContact CG1-CG2 4.41Å; V43-V54 HydrophobicContact CG2-CG1 4.24Å; V43-V54 HydrophobicContact CG2-CG2 4.36Å; F52-V54 HydrophobicContact CD2-CG2 3.73Å; F52-V54 HydrophobicContact CE2-CG2 3.8Å; V54-H56 HydrophobicContact CG1-CB 4.21Å; V54-A63 CarbonylContact O-C 3.58Å; V54-A63 VanDerWaalsContact O-CA 3.24Å; V54-A63 WeakPolarHBondContact O-CA 3.31Å; V54-T64 PolarHBondContact N-O 3.01Å; V54-T64 PolarHBondContact O-N 2.88Å; V54-F66 HydrophobicContact CB-CD2 4.35Å; V54-F66 HydrophobicContact CB-CE2 4.06Å; V54-F66 HydrophobicContact CG2-CD2 3.81Å; V54-F66 HydrophobicContact CG2-CE2 3.9Å |
| 55 | V | 93.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 119.6 | 169.3 | -176.1 | 0 | 0 | 0 | 0 | 107.8 | H41 A42 A61 K62 A63 R81 V84 | H41-V55 HydrophobicContact CB-CB 4.25Å; H41-V55 HydrophobicContact CB-CG1 3.97Å; H41-V55 PolarHBondContact N-O 2.92Å; A42-V55 HydrophobicContact CB-CB 4.29Å; A42-V55 HydrophobicContact CB-CG2 4.28Å; A42-V55 PolarHBondContact N-O 2.82Å; A42-V55 PolarHBondContact O-N 2.81Å; V55-A61 HydrophobicContact CG1-CB 3.8Å; V55-K62 CarbonylContact C-O 3.58Å; V55-K62 WeakPolarHBondContact CA-O 3.35Å; V55-A63 HydrophobicContact CG2-CB 4.18Å; V55-R81 HydrophobicContact CG1-CG 4.02Å; V55-R81 WeakPolarHBondContact CG1-O 3.4Å; V55-V84 HydrophobicContact CG2-CB 3.82Å; V55-V84 HydrophobicContact CG2-CG1 3.69Å |
| 56 | H | 91.1 | Very high | 92.2 | Very high | 7 Ų | 7 | 38.4 Ų | 38.4 | 3% | 0.032 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 162.1 | -172.2 | 64 | 93.9 | 0 | 0 | 0 | 113.3 | L33 P39 V54 K62 T64 | L33-H56 HydrophobicContact CD1-CB 4.11Å; L33-H56 PolarHBondContact O-CE1 2.88Å; P39-H56 CarbonylContact O-C 3.54Å; P39-H56 VanDerWaalsContact O-CA 3.3Å; P39-H56 WeakPolarHBondContact O-CA 3.46Å; V54-H56 HydrophobicContact CG1-CB 4.21Å; H56-K62 PolarHBondContact N-O 2.84Å; H56-K62 PolarHBondContact O-N 2.84Å; H56-T64 PolarHBondContact NE2-OG1 2.89Å |
| 57 | G | 89 | Confident | 92.2 | Very high | 2 Ų | 2 | 39.3 Ų | 39.3 | 2% | 0.021 | 21% | 0.212 | C | C | . | . | S | Bend | trans | 93.9 | 175.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | D36 P39 H41 | D36-G57 VanDerWaalsContact O-CA 3.28Å; D36-G57 WeakPolarHBondContact O-CA 3.43Å; P39-G57 PolarHBondContact O-N 2.75Å; H41-G57 PolarHBondContact NE2-O 3.19Å |
| 58 | P | 84.8 | Confident | 92.1 | Very high | 87 Ų | 87 | 39.6 Ų | 39.6 | 57% | 0.565 | 21% | 0.209 | S | C | * | . | S | Bend | trans | -63.8 | 148 | 177.4 | 27.4 | -33.9 | 0 | 0 | 0 | 111.3 | P60 A61 | P58-P60 CarbonylContact O-C 3.1Å; P58-P60 VanDerWaalsContact O-O 3.05Å; P58-A61 PolarHBondContact O-N 2.8Å |
| 59 | M | 86.7 | Confident | 92.1 | Very high | 90 Ų | 90 | 43 Ų | 43 | 44% | 0.443 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -70 | 132.1 | 177.4 | -74 | -72.5 | 173 | 0 | 0 | 110.9 | A61 R81 N82 | M59-A61 HydrophobicContact CE-CB 4.03Å; M59-A61 HydrophobicContact SD-CB 3.88Å; M59-R81 VanDerWaalsContact CE-O 3.23Å; M59-R81 WeakPolarHBondContact CE-O 3.23Å; M59-N82 HydrophobicContact CE-CB 3.77Å |
| 60 | P | 88.9 | Confident | 92.1 | Very high | 72 Ų | 72 | 40.4 Ų | 40.4 | 47% | 0.468 | 20% | 0.2 | S | C | . | . | S | Bend | cis | -71.9 | 122.8 | 2.5 | 27.5 | -32.8 | 0 | 0 | 0 | 113.6 | P58 P78 S79 | P58-P60 CarbonylContact O-C 3.1Å; P58-P60 VanDerWaalsContact O-O 3.05Å; P60-P78 HydrophobicContact CB-CB 4.48Å; P60-P78 HydrophobicContact CG-CB 4.37Å; P60-S79 CarbonylContact C-O 3.53Å; P60-S79 WeakPolarHBondContact CA-O 3.15Å; P60-S79 WeakPolarHBondContact CB-O 3.46Å |
| 61 | A | 89.5 | Confident | 92.2 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 150.5 | -172.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | V55 P58 M59 P78 S79 | V55-A61 HydrophobicContact CG1-CB 3.8Å; P58-A61 PolarHBondContact O-N 2.8Å; M59-A61 HydrophobicContact CE-CB 4.03Å; M59-A61 HydrophobicContact SD-CB 3.88Å; A61-P78 WeakPolarHBondContact O-CA 3.45Å; A61-S79 PolarHBondContact N-O 3.47Å; A61-S79 PolarHBondContact O-N 2.92Å; A61-S79 VanDerWaalsContact O-N 3.07Å |
| 62 | K | 91.1 | Very high | 92.2 | Very high | 73 Ų | 73 | 39.2 Ų | 39.2 | 32% | 0.317 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 153.8 | 169.7 | -73.2 | 175.2 | -179.8 | 172 | 0 | 109.2 | D36 V55 H56 P78 | D36-K62 IonicContact OD2-NZ 3.88Å; D36-K62 PolarHBondContact OD2-NZ 2.8Å; V55-K62 CarbonylContact C-O 3.58Å; V55-K62 WeakPolarHBondContact CA-O 3.35Å; H56-K62 PolarHBondContact N-O 2.84Å; H56-K62 PolarHBondContact O-N 2.84Å; K62-P78 HydrophobicContact CG-CB 4.46Å; K62-P78 HydrophobicContact CG-CG 3.91Å |
| 63 | A | 93.1 | Very high | 92.1 | Very high | 4 Ų | 4 | 43.4 Ų | 43.4 | 3% | 0.033 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 138.6 | 165 | 0 | 0 | 0 | 0 | 0 | 109.2 | V54 V55 F76 | V54-A63 CarbonylContact O-C 3.58Å; V54-A63 VanDerWaalsContact O-CA 3.24Å; V54-A63 WeakPolarHBondContact O-CA 3.31Å; V55-A63 HydrophobicContact CG2-CB 4.18Å; A63-F76 HydrophobicContact CB-CB 4Å; A63-F76 HydrophobicContact CB-CD2 3.69Å; A63-F76 HydrophobicContact CB-CG 4.16Å; A63-F76 WeakPolarHBondContact O-CB 3.37Å; A63-F76 WeakPolarHBondContact O-CD2 3.46Å; A63-F76 PolarHBondContact O-N 2.98Å |
| 64 | T | 94.1 | Very high | 92 | Very high | 3 Ų | 3 | 48.6 Ų | 48.6 | 2% | 0.018 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 129.6 | -179.8 | -55.5 | 0 | 0 | 0 | 0 | 109.2 | C53 V54 H56 F66 A72 F74 N75 | C53-T64 WeakPolarHBondContact CA-O 3.32Å; V54-T64 PolarHBondContact N-O 3.01Å; V54-T64 PolarHBondContact O-N 2.88Å; H56-T64 PolarHBondContact NE2-OG1 2.89Å; T64-F66 HydrophobicContact CG2-CD1 4.39Å; T64-F66 HydrophobicContact CG2-CD2 3.96Å; T64-F66 HydrophobicContact CG2-CE1 3.9Å; T64-F66 HydrophobicContact CG2-CE2 3.44Å; T64-F66 VanDerWaalsContact CG2-CE2 3.44Å; T64-F66 HydrophobicContact CG2-CG 4.41Å; T64-F66 HydrophobicContact CG2-CZ 3.38Å; T64-F66 WeakPolarHBondContact O-CD2 3.24Å; T64-A72 HydrophobicContact CG2-CB 3.63Å; T64-F74 CarbonylContact C-O 3.56Å; T64-F74 WeakPolarHBondContact CA-O 3.22Å; T64-N75 WeakPolarHBondContact CB-OD1 3.25Å; T64-N75 WeakPolarHBondContact CG2-OD1 3.49Å; T64-N75 PolarHBondContact OG1-OD1 2.9Å |
| 65 | L | 95 | Very high | 91.9 | Very high | 15 Ų | 15 | 52.9 Ų | 52.9 | 8% | 0.079 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 129.2 | 172.1 | -172.5 | 68.9 | 0 | 0 | 0 | 108.8 | E51 C53 A72 I73 F74 F76 F86 I93 | E51-L65 HydrophobicContact CB-CD1 4.28Å; E51-L65 HydrophobicContact CG-CD1 4.06Å; C53-L65 HydrophobicContact CB-CD1 4.18Å; L65-A72 CarbonylContact O-C 3.38Å; L65-I73 HydrophobicContact CD2-CB 4.36Å; L65-I73 HydrophobicContact CD2-CD1 4.41Å; L65-I73 HydrophobicContact CD2-CG2 4.5Å; L65-I73 HydrophobicContact CG-CB 4.41Å; L65-I73 HydrophobicContact CG-CD1 4.28Å; L65-I73 PolarHBondContact O-N 3.26Å; L65-F74 HydrophobicContact CB-CB 4.16Å; L65-F74 PolarHBondContact N-O 3.38Å; L65-F74 PolarHBondContact O-N 3Å; L65-F76 HydrophobicContact CB-CE2 4.48Å; L65-F86 HydrophobicContact CD1-CE1 4.34Å; L65-F86 HydrophobicContact CD1-CZ 3.78Å; L65-I93 HydrophobicContact CD1-CD1 4.4Å |
| 66 | F | 95.6 | Very high | 91.8 | Very high | 6 Ų | 6 | 55.5 Ų | 55.5 | 3% | 0.026 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 146.6 | -177.7 | -69.1 | -85.1 | 0 | 0 | 0 | 111.9 | I31 L33 E51 F52 V54 T64 N71 A72 | I31-F66 HydrophobicContact CG2-CD1 4.04Å; I31-F66 HydrophobicContact CG2-CD2 4.48Å; I31-F66 HydrophobicContact CG2-CE1 3.59Å; I31-F66 HydrophobicContact CG2-CE2 4.04Å; I31-F66 HydrophobicContact CG2-CG 4.47Å; I31-F66 HydrophobicContact CG2-CZ 3.58Å; L33-F66 HydrophobicContact CD2-CE2 4.05Å; L33-F66 HydrophobicContact CD2-CZ 3.91Å; E51-F66 CarbonylContact C-O 3.56Å; E51-F66 WeakPolarHBondContact CA-O 3.46Å; E51-F66 VanDerWaalsContact CB-O 3.23Å; E51-F66 WeakPolarHBondContact CB-O 3.34Å; F52-F66 HydrophobicContact CD1-CB 4.33Å; F52-F66 HydrophobicContact CD2-CB 4.15Å; F52-F66 HydrophobicContact CD2-CD2 4.42Å; F52-F66 HydrophobicContact CE1-CB 3.77Å; F52-F66 HydrophobicContact CE2-CB 3.56Å; F52-F66 AromaticContact CE2-CD2 3.86Å; F52-F66 HydrophobicContact CE2-CD2 3.86Å; F52-F66 AromaticContact CE2-CG 3.95Å; F52-F66 HydrophobicContact CE2-CG 3.95Å; F52-F66 HydrophobicContact CG-CB 4.49Å; F52-F66 HydrophobicContact CZ-CB 3.33Å; F52-F66 HydrophobicContact CZ-CD2 4.41Å; F52-F66 HydrophobicContact CZ-CG 4.03Å; F52-F66 PolarHBondContact N-O 3.06Å; F52-F66 PolarHBondContact O-N 2.85Å; V54-F66 HydrophobicContact CB-CD2 4.35Å; V54-F66 HydrophobicContact CB-CE2 4.06Å; V54-F66 HydrophobicContact CG2-CD2 3.81Å; V54-F66 HydrophobicContact CG2-CE2 3.9Å; T64-F66 HydrophobicContact CG2-CD1 4.39Å; T64-F66 HydrophobicContact CG2-CD2 3.96Å; T64-F66 HydrophobicContact CG2-CE1 3.9Å; T64-F66 HydrophobicContact CG2-CE2 3.44Å; T64-F66 VanDerWaalsContact CG2-CE2 3.44Å; T64-F66 HydrophobicContact CG2-CG 4.41Å; T64-F66 HydrophobicContact CG2-CZ 3.38Å; T64-F66 WeakPolarHBondContact O-CD2 3.24Å; F66-N71 VanDerWaalsContact CA-O 3.26Å; F66-N71 WeakPolarHBondContact CA-O 3.42Å; F66-A72 HydrophobicContact CD1-CB 4.24Å; F66-A72 HydrophobicContact CE1-CB 3.93Å |
| 67 | D | 94.2 | Very high | 91.7 | Very high | 38 Ų | 38 | 62.3 Ų | 62.3 | 20% | 0.203 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 176.2 | 170.2 | 73.9 | 3.4 | 0 | 0 | 0 | 112 | F52 R69 A70 N71 I73 | F52-D67 WeakPolarHBondContact CE1-O 3.37Å; D67-R69 PolarHBondContact O-N 2.84Å; D67-R69 VanDerWaalsContact OD1-CA 3.26Å; D67-R69 WeakPolarHBondContact OD1-CA 3.48Å; D67-R69 WeakPolarHBondContact OD1-CB 3.37Å; D67-R69 PolarHBondContact OD1-N 3.2Å; D67-A70 PolarHBondContact O-N 2.82Å; D67-A70 VanDerWaalsContact O-N 3.1Å; D67-A70 PolarHBondContact OD1-N 3.32Å; D67-N71 PolarHBondContact N-O 3.45Å; D67-N71 WeakPolarHBondContact OD1-CB 3.48Å; D67-N71 PolarHBondContact OD1-N 2.75Å; D67-N71 PolarHBondContact OD1-ND2 3.42Å; D67-N71 PolarHBondContact OD2-ND2 3.31Å; D67-I73 HydrophobicContact CB-CD1 3.8Å; D67-I73 HydrophobicContact CB-CG1 3.97Å |
| 68 | L | 92.7 | Very high | 91.8 | Very high | 71 Ų | 71 | 65.2 Ų | 65.2 | 37% | 0.372 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -0.1 | 175.2 | -66.3 | 174.2 | 0 | 0 | 0 | 114.9 | L21 Q23 W45 S49 K50 | L21-L68 VanDerWaalsContact CD2-O 3.23Å; L21-L68 WeakPolarHBondContact CD2-O 3.24Å; Q23-L68 PolarHBondContact NE2-O 3.03Å; W45-L68 HydrophobicContact CH2-CD2 4.31Å; W45-L68 HydrophobicContact CZ3-CD2 3.86Å; S49-L68 WeakPolarHBondContact O-CD2 3.5Å; K50-L68 WeakPolarHBondContact O-CG 3.26Å |
| 69 | R | 91.4 | Very high | 92 | Very high | 191 Ų | 191 | 62.8 Ų | 62.8 | 72% | 0.721 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.5 | 13.4 | 175.3 | -61.6 | 176.7 | 179.9 | -174.8 | -0.6 | 111.4 | D67 N71 | D67-R69 PolarHBondContact O-N 2.84Å; D67-R69 VanDerWaalsContact OD1-CA 3.26Å; D67-R69 WeakPolarHBondContact OD1-CA 3.48Å; D67-R69 WeakPolarHBondContact OD1-CB 3.37Å; D67-R69 PolarHBondContact OD1-N 3.2Å; R69-N71 VanDerWaalsContact CB-ND2 3.34Å; R69-N71 WeakPolarHBondContact CB-ND2 2.88Å; R69-N71 PolarHBondContact O-N 3.07Å |
| 70 | A | 92.2 | Very high | 92.1 | Very high | 15 Ų | 15 | 64.7 Ų | 64.7 | 12% | 0.124 | 33% | 0.331 | C | S | . | . | S | Bend | trans | 61.6 | 22.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | L21 C29 I31 D67 | L21-A70 HydrophobicContact CD2-CB 4.37Å; C29-A70 HydrophobicContact CB-CB 4.22Å; I31-A70 HydrophobicContact CD1-CB 4.47Å; I31-A70 HydrophobicContact CG1-CB 3.89Å; D67-A70 PolarHBondContact O-N 2.82Å; D67-A70 VanDerWaalsContact O-N 3.1Å; D67-A70 PolarHBondContact OD1-N 3.32Å |
| 71 | N | 93.4 | Very high | 92.1 | Very high | 90 Ų | 90 | 62.8 Ų | 62.8 | 48% | 0.481 | 31% | 0.314 | S | S | . | . | trans | -87.1 | 135.4 | 173.6 | -55.8 | -57.2 | 0 | 0 | 0 | 110.4 | F66 D67 R69 I73 | F66-N71 VanDerWaalsContact CA-O 3.26Å; F66-N71 WeakPolarHBondContact CA-O 3.42Å; D67-N71 PolarHBondContact N-O 3.45Å; D67-N71 WeakPolarHBondContact OD1-CB 3.48Å; D67-N71 PolarHBondContact OD1-N 2.75Å; D67-N71 PolarHBondContact OD1-ND2 3.42Å; D67-N71 PolarHBondContact OD2-ND2 3.31Å; R69-N71 VanDerWaalsContact CB-ND2 3.34Å; R69-N71 WeakPolarHBondContact CB-ND2 2.88Å; R69-N71 PolarHBondContact O-N 3.07Å; N71-I73 PolarHBondContact O-N 2.77Å | ||
| 72 | A | 93.8 | Very high | 92.2 | Very high | 56 Ų | 56 | 65.3 Ų | 65.3 | 46% | 0.463 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 113.1 | 173 | 0 | 0 | 0 | 0 | 0 | 110.3 | T64 L65 F66 | T64-A72 HydrophobicContact CG2-CB 3.63Å; L65-A72 CarbonylContact O-C 3.38Å; F66-A72 HydrophobicContact CD1-CB 4.24Å; F66-A72 HydrophobicContact CE1-CB 3.93Å |
| 73 | I | 94.4 | Very high | 92.3 | Very high | 92 Ų | 92 | 64.2 Ų | 64.2 | 47% | 0.472 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | -45.5 | 175.7 | -49.8 | 177.4 | 0 | 0 | 0 | 109.8 | E51 L65 D67 N71 | E51-I73 HydrophobicContact CB-CD1 4.14Å; L65-I73 HydrophobicContact CD2-CB 4.36Å; L65-I73 HydrophobicContact CD2-CD1 4.41Å; L65-I73 HydrophobicContact CD2-CG2 4.5Å; L65-I73 HydrophobicContact CG-CB 4.41Å; L65-I73 HydrophobicContact CG-CD1 4.28Å; L65-I73 PolarHBondContact O-N 3.26Å; D67-I73 HydrophobicContact CB-CD1 3.8Å; D67-I73 HydrophobicContact CB-CG1 3.97Å; N71-I73 PolarHBondContact O-N 2.77Å |
| 74 | F | 93.5 | Very high | 92.4 | Very high | 109 Ų | 109 | 64.1 Ų | 64.1 | 48% | 0.478 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 141.8 | -175.4 | -170.6 | -97.8 | 0 | 0 | 0 | 111.8 | T64 L65 F76 | T64-F74 CarbonylContact C-O 3.56Å; T64-F74 WeakPolarHBondContact CA-O 3.22Å; L65-F74 HydrophobicContact CB-CB 4.16Å; L65-F74 PolarHBondContact N-O 3.38Å; L65-F74 PolarHBondContact O-N 3Å; F74-F76 HydrophobicContact CD1-CD1 4.04Å; F74-F76 HydrophobicContact CD1-CD2 4.06Å; F74-F76 AromaticContact CD1-CE1 3.9Å; F74-F76 HydrophobicContact CD1-CE1 3.9Å; F74-F76 AromaticContact CD1-CE2 3.93Å; F74-F76 HydrophobicContact CD1-CE2 3.93Å; F74-F76 HydrophobicContact CD1-CG 4.11Å; F74-F76 AromaticContact CD1-CZ 3.84Å; F74-F76 HydrophobicContact CD1-CZ 3.84Å; F74-F76 AromaticContact CE1-CD1 3.64Å; F74-F76 HydrophobicContact CE1-CD1 3.64Å; F74-F76 HydrophobicContact CE1-CD2 4.41Å; F74-F76 AromaticContact CE1-CE1 3.73Å; F74-F76 HydrophobicContact CE1-CE1 3.73Å; F74-F76 HydrophobicContact CE1-CE2 4.5Å; F74-F76 AromaticContact CE1-CG 3.99Å; F74-F76 HydrophobicContact CE1-CG 3.99Å; F74-F76 HydrophobicContact CE1-CZ 4.16Å |
| 75 | N | 92.4 | Very high | 92.4 | Very high | 90 Ų | 90 | 67.5 Ų | 67.5 | 48% | 0.481 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 116.7 | 175.2 | -72.2 | -65.1 | 0 | 0 | 0 | 109.9 | T64 | T64-N75 WeakPolarHBondContact CB-OD1 3.25Å; T64-N75 WeakPolarHBondContact CG2-OD1 3.49Å; T64-N75 PolarHBondContact OG1-OD1 2.9Å |
| 76 | F | 91.4 | Very high | 92.3 | Very high | 54 Ų | 54 | 68 Ų | 68 | 24% | 0.237 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 144.8 | 170.8 | -60.7 | -86.3 | 0 | 0 | 0 | 109.9 | A63 L65 F74 I93 | A63-F76 HydrophobicContact CB-CB 4Å; A63-F76 HydrophobicContact CB-CD2 3.69Å; A63-F76 HydrophobicContact CB-CG 4.16Å; A63-F76 WeakPolarHBondContact O-CB 3.37Å; A63-F76 WeakPolarHBondContact O-CD2 3.46Å; A63-F76 PolarHBondContact O-N 2.98Å; L65-F76 HydrophobicContact CB-CE2 4.48Å; F74-F76 HydrophobicContact CD1-CD1 4.04Å; F74-F76 HydrophobicContact CD1-CD2 4.06Å; F74-F76 AromaticContact CD1-CE1 3.9Å; F74-F76 HydrophobicContact CD1-CE1 3.9Å; F74-F76 AromaticContact CD1-CE2 3.93Å; F74-F76 HydrophobicContact CD1-CE2 3.93Å; F74-F76 HydrophobicContact CD1-CG 4.11Å; F74-F76 AromaticContact CD1-CZ 3.84Å; F74-F76 HydrophobicContact CD1-CZ 3.84Å; F74-F76 AromaticContact CE1-CD1 3.64Å; F74-F76 HydrophobicContact CE1-CD1 3.64Å; F74-F76 HydrophobicContact CE1-CD2 4.41Å; F74-F76 AromaticContact CE1-CE1 3.73Å; F74-F76 HydrophobicContact CE1-CE1 3.73Å; F74-F76 HydrophobicContact CE1-CE2 4.5Å; F74-F76 AromaticContact CE1-CG 3.99Å; F74-F76 HydrophobicContact CE1-CG 3.99Å; F74-F76 HydrophobicContact CE1-CZ 4.16Å; F76-I93 HydrophobicContact CE2-CD1 4.39Å; F76-I93 HydrophobicContact CZ-CD1 3.87Å |
| 77 | Q | 88.5 | Confident | 92.1 | Very high | 151 Ų | 151 | 69.9 Ų | 69.9 | 71% | 0.706 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 146.9 | 176.5 | -66.1 | -61.1 | -43.3 | 0 | 0 | 111.2 | S79 R81 | Q77-S79 PolarHBondContact O-N 2.82Å; Q77-R81 PolarHBondContact O-NH2 2.71Å |
| 78 | P | 90.1 | Very high | 92.1 | Very high | 62 Ų | 62 | 73.5 Ų | 73.5 | 40% | 0.403 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -49.6 | 130.5 | 173.8 | -25.1 | 32.7 | 0 | 0 | 0 | 111.5 | P60 A61 K62 | P60-P78 HydrophobicContact CB-CB 4.48Å; P60-P78 HydrophobicContact CG-CB 4.37Å; A61-P78 WeakPolarHBondContact O-CA 3.45Å; K62-P78 HydrophobicContact CG-CB 4.46Å; K62-P78 HydrophobicContact CG-CG 3.91Å |
| 79 | S | 90.2 | Very high | 92.1 | Very high | 36 Ų | 36 | 78.5 Ų | 78.5 | 25% | 0.252 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 163.1 | 172.7 | -175.8 | 0 | 0 | 0 | 0 | 109.6 | P60 A61 Q77 R81 | P60-S79 CarbonylContact C-O 3.53Å; P60-S79 WeakPolarHBondContact CA-O 3.15Å; P60-S79 WeakPolarHBondContact CB-O 3.46Å; A61-S79 PolarHBondContact N-O 3.47Å; A61-S79 PolarHBondContact O-N 2.92Å; A61-S79 VanDerWaalsContact O-N 3.07Å; Q77-S79 PolarHBondContact O-N 2.82Å; S79-R81 PolarHBondContact O-N 2.94Å |
| 80 | Q | 88.6 | Confident | 91.9 | Very high | 131 Ų | 131 | 69.8 Ų | 69.8 | 61% | 0.612 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -67.7 | 79.9 | 169.5 | -68.3 | 165.9 | -10.6 | 0 | 0 | 108.3 | L97 P98 | Q80-L97 HydrophobicContact CB-CD2 4.44Å; Q80-L97 VanDerWaalsContact O-CA 3.22Å; Q80-L97 WeakPolarHBondContact O-CA 2.95Å; Q80-L97 WeakPolarHBondContact O-CD2 3.41Å; Q80-P98 VanDerWaalsContact C-CD 3.47Å; Q80-P98 WeakPolarHBondContact O-CD 3.47Å |
| 81 | R | 89.9 | Confident | 91.8 | Very high | 31 Ų | 31 | 74.1 Ų | 74.1 | 12% | 0.117 | 39% | 0.39 | C | S | . | . | trans | -132.7 | 135.1 | 178.9 | 69.3 | -174 | 90 | -132.4 | 8.7 | 109 | V55 M59 Q77 S79 S95 R96 | V55-R81 HydrophobicContact CG1-CG 4.02Å; V55-R81 WeakPolarHBondContact CG1-O 3.4Å; M59-R81 VanDerWaalsContact CE-O 3.23Å; M59-R81 WeakPolarHBondContact CE-O 3.23Å; Q77-R81 PolarHBondContact O-NH2 2.71Å; S79-R81 PolarHBondContact O-N 2.94Å; R81-S95 PolarHBondContact NH1-OG 2.85Å; R81-R96 VanDerWaalsContact CA-O 3.25Å; R81-R96 WeakPolarHBondContact CA-O 2.94Å | ||
| 82 | N | 91.2 | Very high | 91.6 | Very high | 54 Ų | 54 | 75.5 Ų | 75.5 | 29% | 0.289 | 39% | 0.393 | S | S | . | . | trans | -123 | 0.2 | -179.7 | 69.6 | -21.9 | 0 | 0 | 0 | 113.3 | M59 R96 | M59-N82 HydrophobicContact CE-CB 3.77Å; N82-R96 PolarHBondContact N-O 3.31Å | ||
| 83 | D | 93 | Very high | 91.4 | Very high | 50 Ų | 50 | 75.7 Ų | 75.7 | 27% | 0.267 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 152.4 | -174.7 | -163.7 | 6.6 | 0 | 0 | 0 | 110.6 | H85 S95 R96 | D83-H85 IonicContact OD1-CD2 3.71Å; D83-H85 IonicContact OD1-CE1 3.67Å; D83-H85 IonicContact OD1-NE2 2.75Å; D83-H85 PolarHBondContact OD1-NE2 3.32Å; D83-H85 IonicContact OD2-CD2 3.19Å; D83-H85 IonicContact OD2-CE1 3.46Å; D83-H85 IonicContact OD2-NE2 3.85Å; D83-H85 PolarHBondContact OD2-NE2 2.66Å; D83-S95 WeakPolarHBondContact O-CA 3.48Å; D83-R96 HydrophobicContact CB-CB 4.08Å; D83-R96 PolarHBondContact O-N 3.3Å |
| 84 | V | 93.8 | Very high | 91.1 | Very high | 1 Ų | 1 | 77 Ų | 77 | 1% | 0.006 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 134.6 | -176.2 | 62.4 | 0 | 0 | 0 | 0 | 111.2 | A42 Q44 C53 V55 I93 L94 | A42-V84 HydrophobicContact CB-CG1 4.29Å; Q44-V84 HydrophobicContact CB-CG1 3.82Å; Q44-V84 VanDerWaalsContact CB-O 3.24Å; Q44-V84 WeakPolarHBondContact CB-O 3.43Å; Q44-V84 WeakPolarHBondContact CG-O 3.14Å; C53-V84 HydrophobicContact CB-CG1 4.28Å; C53-V84 HydrophobicContact CB-CG2 4.07Å; V55-V84 HydrophobicContact CG2-CB 3.82Å; V55-V84 HydrophobicContact CG2-CG1 3.69Å; V84-I93 HydrophobicContact CG2-CG2 3.39Å; V84-L94 CarbonylContact C-O 3.57Å; V84-L94 WeakPolarHBondContact CA-O 3.44Å |
| 85 | H | 94.2 | Very high | 90.6 | Very high | 75 Ų | 75 | 73.7 Ų | 73.7 | 35% | 0.347 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 134.9 | -176.6 | -66 | -84.4 | 0 | 0 | 0 | 110.2 | D83 I93 L94 | D83-H85 IonicContact OD1-CD2 3.71Å; D83-H85 IonicContact OD1-CE1 3.67Å; D83-H85 IonicContact OD1-NE2 2.75Å; D83-H85 PolarHBondContact OD1-NE2 3.32Å; D83-H85 IonicContact OD2-CD2 3.19Å; D83-H85 IonicContact OD2-CE1 3.46Å; D83-H85 IonicContact OD2-NE2 3.85Å; D83-H85 PolarHBondContact OD2-NE2 2.66Å; H85-I93 CarbonylContact O-C 3.58Å; H85-I93 WeakPolarHBondContact O-CA 3.28Å; H85-L94 HydrophobicContact CB-CB 4.4Å; H85-L94 PolarHBondContact N-O 2.92Å; H85-L94 PolarHBondContact O-N 2.79Å |
| 86 | F | 93.6 | Very high | 90 | Very high | 24 Ų | 24 | 74.8 Ų | 74.8 | 11% | 0.105 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 144 | 164.9 | -70.5 | -102.8 | 0 | 0 | 0 | 108.8 | Q44 H46 P47 C53 L65 H92 I93 | Q44-F86 HydrophobicContact CB-CD2 4.26Å; Q44-F86 HydrophobicContact CB-CE2 4.33Å; Q44-F86 HydrophobicContact CG-CD2 3.56Å; Q44-F86 HydrophobicContact CG-CE2 4.1Å; Q44-F86 WeakPolarHBondContact O-CE2 3.47Å; H46-F86 HydrophobicContact CB-CD1 4.3Å; H46-F86 HydrophobicContact CB-CE1 4.09Å; H46-F86 HydrophobicContact CB-CZ 4.31Å; H46-F86 AromaticContact CD2-CD1 3.73Å; H46-F86 AromaticContact CD2-CE1 3.74Å; P47-F86 HydrophobicContact CG-CB 4.28Å; C53-F86 HydrophobicContact CB-CE2 3.76Å; C53-F86 HydrophobicContact CB-CZ 3.9Å; L65-F86 HydrophobicContact CD1-CE1 4.34Å; L65-F86 HydrophobicContact CD1-CZ 3.78Å; F86-H92 WeakPolarHBondContact CA-O 3.48Å; F86-I93 HydrophobicContact CD1-CD1 4.29Å; F86-I93 HydrophobicContact CD1-CG1 3.67Å; F86-I93 HydrophobicContact CE1-CD1 3.56Å; F86-I93 HydrophobicContact CE1-CG1 3.48Å; F86-I93 VanDerWaalsContact CE1-CG1 3.48Å; F86-I93 HydrophobicContact CG-CG1 4.29Å; F86-I93 HydrophobicContact CZ-CD1 3.79Å; F86-I93 HydrophobicContact CZ-CG1 3.95Å |
| 87 | N | 92.2 | Very high | 89.2 | Confident | 46 Ų | 46 | 77 Ų | 77 | 25% | 0.246 | 39% | 0.394 | C | S | . | . | trans | -68.7 | 163.9 | 165.1 | 74.8 | -22.9 | 0 | 0 | 0 | 110.5 | P47 F89 G90 N91 H92 | P47-N87 WeakPolarHBondContact CG-O 3.3Å; N87-F89 PolarHBondContact O-N 2.67Å; N87-F89 VanDerWaalsContact O-N 3.09Å; N87-G90 PolarHBondContact O-N 2.95Å; N87-G90 WeakPolarHBondContact OD1-CA 3.5Å; N87-G90 PolarHBondContact OD1-N 3.3Å; N87-N91 PolarHBondContact ND2-OD1 3.17Å; N87-N91 PolarHBondContact OD1-N 2.96Å; N87-N91 VanDerWaalsContact OD1-N 3.07Å; N87-N91 PolarHBondContact OD1-OD1 3.48Å; N87-H92 PolarHBondContact N-O 2.75Å; N87-H92 PolarHBondContact ND2-ND1 3.42Å; N87-H92 PolarHBondContact OD1-N 3.12Å; N87-H92 VanDerWaalsContact OD1-N 3.11Å; N87-H92 PolarHBondContact OD1-O 2.76Å | ||
| 88 | S | 92.5 | Very high | 88 | Confident | 114 Ų | 114 | 71.4 Ų | 71.4 | 80% | 0.797 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -22.7 | -177.2 | -51.3 | 0 | 0 | 0 | 0 | 114.3 | ||
| 89 | F | 92.7 | Very high | 86.5 | Confident | 177 Ų | 177 | 75.6 Ų | 75.6 | 78% | 0.776 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -11.9 | 175.6 | -59.3 | -73 | 0 | 0 | 0 | 113.3 | N87 N91 | N87-F89 PolarHBondContact O-N 2.67Å; N87-F89 VanDerWaalsContact O-N 3.09Å; F89-N91 PolarHBondContact O-N 3.44Å |
| 90 | G | 87.5 | Confident | 84.9 | Confident | 8 Ų | 8 | 79.3 Ų | 79.3 | 8% | 0.082 | 41% | 0.411 | C | S | . | . | S | Bend | trans | 76 | -5.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | H46 N87 | H46-G90 PolarHBondContact CD2-O 3.47Å; H46-G90 WeakPolarHBondContact NE2-CA 3.34Å; H46-G90 PolarHBondContact NE2-O 2.98Å; N87-G90 PolarHBondContact O-N 2.95Å; N87-G90 WeakPolarHBondContact OD1-CA 3.5Å; N87-G90 PolarHBondContact OD1-N 3.3Å |
| 91 | N | 90.4 | Very high | 82.5 | Confident | 106 Ų | 106 | 79.8 Ų | 79.8 | 57% | 0.567 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -85.3 | -8.8 | -175.8 | 68.3 | -30.3 | 0 | 0 | 0 | 114.9 | N87 F89 | N87-N91 PolarHBondContact ND2-OD1 3.17Å; N87-N91 PolarHBondContact OD1-N 2.96Å; N87-N91 VanDerWaalsContact OD1-N 3.07Å; N87-N91 PolarHBondContact OD1-OD1 3.48Å; F89-N91 PolarHBondContact O-N 3.44Å |
| 92 | H | 89.2 | Confident | 80.1 | Confident | 118 Ų | 118 | 87.7 Ų | 87.7 | 55% | 0.546 | 46% | 0.455 | S | S | . | . | trans | -131.7 | 139.5 | 176.9 | -61.8 | 104.6 | 0 | 0 | 0 | 111.7 | F86 N87 | F86-H92 WeakPolarHBondContact CA-O 3.48Å; N87-H92 PolarHBondContact N-O 2.75Å; N87-H92 PolarHBondContact ND2-ND1 3.42Å; N87-H92 PolarHBondContact OD1-N 3.12Å; N87-H92 VanDerWaalsContact OD1-N 3.11Å; N87-H92 PolarHBondContact OD1-O 2.76Å | ||
| 93 | I | 90.2 | Very high | 77.7 | Confident | 60 Ų | 60 | 95.6 Ų | 95.6 | 31% | 0.308 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 122.1 | 174.7 | -63.2 | 169.6 | 0 | 0 | 0 | 108.6 | L65 F76 V84 H85 F86 | L65-I93 HydrophobicContact CD1-CD1 4.4Å; F76-I93 HydrophobicContact CE2-CD1 4.39Å; F76-I93 HydrophobicContact CZ-CD1 3.87Å; V84-I93 HydrophobicContact CG2-CG2 3.39Å; H85-I93 CarbonylContact O-C 3.58Å; H85-I93 WeakPolarHBondContact O-CA 3.28Å; F86-I93 HydrophobicContact CD1-CD1 4.29Å; F86-I93 HydrophobicContact CD1-CG1 3.67Å; F86-I93 HydrophobicContact CE1-CD1 3.56Å; F86-I93 HydrophobicContact CE1-CG1 3.48Å; F86-I93 VanDerWaalsContact CE1-CG1 3.48Å; F86-I93 HydrophobicContact CG-CG1 4.29Å; F86-I93 HydrophobicContact CZ-CD1 3.79Å; F86-I93 HydrophobicContact CZ-CG1 3.95Å |
| 94 | L | 88.4 | Confident | 77 | Confident | 120 Ų | 120 | 97.9 Ų | 97.9 | 63% | 0.628 | 51% | 0.507 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99 | 123.7 | 170.5 | -175 | 80.3 | 0 | 0 | 0 | 108.5 | V84 H85 | V84-L94 CarbonylContact C-O 3.57Å; V84-L94 WeakPolarHBondContact CA-O 3.44Å; H85-L94 HydrophobicContact CB-CB 4.4Å; H85-L94 PolarHBondContact N-O 2.92Å; H85-L94 PolarHBondContact O-N 2.79Å |
| 95 | S | 83.2 | Confident | 76.1 | Confident | 39 Ų | 39 | 103 Ų | 103 | 27% | 0.273 | 53% | 0.534 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 129.3 | 168.9 | 64 | 0 | 0 | 0 | 0 | 110.1 | R81 D83 | R81-S95 PolarHBondContact NH1-OG 2.85Å; D83-S95 WeakPolarHBondContact O-CA 3.48Å |
| 96 | R | 78.7 | Confident | 75.1 | Confident | 113 Ų | 113 | 104.6 Ų | 104.6 | 43% | 0.426 | 54% | 0.544 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 129.8 | -178.9 | -175.4 | 177.7 | -179.9 | -94 | 2.8 | 110.4 | R81 N82 D83 | R81-R96 VanDerWaalsContact CA-O 3.25Å; R81-R96 WeakPolarHBondContact CA-O 2.94Å; N82-R96 PolarHBondContact N-O 3.31Å; D83-R96 HydrophobicContact CB-CB 4.08Å; D83-R96 PolarHBondContact O-N 3.3Å |
| 97 | L | 75.6 | Confident | 74 | Confident | 100 Ų | 100 | 109.3 Ų | 109.3 | 52% | 0.524 | 57% | 0.57 | S | S | . | * | P | Polyproline II helix | trans | -77.1 | 131.5 | 164.6 | -55.7 | 173.2 | 0 | 0 | 0 | 108.8 | Q80 L99 | Q80-L97 HydrophobicContact CB-CD2 4.44Å; Q80-L97 VanDerWaalsContact O-CA 3.22Å; Q80-L97 WeakPolarHBondContact O-CA 2.95Å; Q80-L97 WeakPolarHBondContact O-CD2 3.41Å; L97-L99 PolarHBondContact O-N 3.28Å |
| 98 | P | 63.4 | Low | 72.8 | Confident | 35 Ų | 35 | 113.3 Ų | 113.3 | 23% | 0.227 | 59% | 0.59 | C | S | . | * | P | Polyproline II helix | trans | -63.6 | 123.8 | 173.2 | 25.4 | -26.2 | 0 | 0 | 0 | 108.3 | Q80 V100 | Q80-P98 VanDerWaalsContact C-CD 3.47Å; Q80-P98 WeakPolarHBondContact O-CD 3.47Å; P98-V100 HydrophobicContact CB-CG2 4.39Å; P98-V100 PolarHBondContact O-N 2.83Å |
| 99 | L | 57.1 | Low | 71.5 | Confident | 150 Ų | 150 | 113.2 Ų | 113.2 | 79% | 0.785 | 58% | 0.576 | S | S | * | * | trans | -66.1 | 84 | 163 | -82.6 | 158.4 | 0 | 0 | 0 | 107.2 | L97 L101 | L97-L99 PolarHBondContact O-N 3.28Å; L99-L101 PolarHBondContact O-N 3.46Å | ||
| 100 | V | 56.5 | Low | 70 | Confident | 114 Ų | 114 | 108.6 Ų | 108.6 | 69% | 0.691 | 56% | 0.562 | S | S | * | * | trans | -77.2 | 109.3 | 160.8 | -174.5 | 0 | 0 | 0 | 0 | 104.9 | P98 Q102 | P98-V100 HydrophobicContact CB-CG2 4.39Å; P98-V100 PolarHBondContact O-N 2.83Å; V100-Q102 PolarHBondContact O-N 3.46Å | ||
| 101 | L | 39.7 | Very low | 68.7 | Low | 141 Ų | 141 | 116.4 Ų | 116.4 | 74% | 0.738 | 60% | 0.599 | S | S | * | * | trans | -53.2 | 107 | 166 | -73.3 | 158.8 | 0 | 0 | 0 | 106.7 | L99 L103 | L99-L101 PolarHBondContact O-N 3.46Å; L101-L103 HydrophobicContact CB-CG 4.17Å; L101-L103 PolarHBondContact O-N 3.4Å | ||
| 102 | Q | 39.6 | Very low | 66.9 | Low | 196 Ų | 196 | 117.3 Ų | 117.3 | 92% | 0.916 | 60% | 0.602 | S | S | * | * | trans | -66.7 | 91.9 | 156.6 | -75.5 | 173.5 | -43.7 | 0 | 0 | 105.5 | V100 | V100-Q102 PolarHBondContact O-N 3.46Š| ||
| 103 | L | 40.9 | Very low | 64.8 | Low | 221 Ų | 221 | 117.2 Ų | 117.2 | 100% | 1.157 | 61% | 0.607 | S | S | * | * | trans | -85.8 | 0 | 160.1 | -67.6 | 175.7 | 0 | 0 | 0 | 108.5 | L101 | L101-L103 HydrophobicContact CB-CG 4.17Å; L101-L103 PolarHBondContact O-N 3.4Å |
Retrieved 103 of 103 residues in 216.5 ms
(Link to these results)