| 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 | 39.1 | Very low | 46.8 | Very low | 242 Ų | 242 | 131.1 Ų | 131.1 | 100% | 1.192 | 78% | 0.78 | S | S | * | * | 0 | 101.2 | 0 | -91.3 | 173.7 | 178.3 | 0 | 0 | 107.7 | V3 | M1-V3 PolarHBondContact O-N 3.25Š| |||
| 2 | Q | 32.8 | Very low | 48.4 | Very low | 191 Ų | 191 | 131 Ų | 131 | 89% | 0.893 | 77% | 0.765 | S | S | * | * | trans | -87.4 | 107.4 | 177.5 | -175.8 | 170.6 | -17.1 | 0 | 0 | 107.1 | T4 | Q2-T4 PolarHBondContact O-N 3.38Š| ||
| 3 | V | 46.6 | Very low | 51 | Low | 119 Ų | 119 | 126.5 Ų | 126.5 | 72% | 0.721 | 73% | 0.73 | S | S | * | * | trans | -73.4 | 116.3 | 172.5 | 176.9 | 0 | 0 | 0 | 0 | 106.4 | M1 Q5 | M1-V3 PolarHBondContact O-N 3.25Å; V3-Q5 VanDerWaalsContact C-N 3.3Å; V3-Q5 PolarHBondContact O-N 3.39Å | ||
| 4 | T | 50.5 | Low | 53.6 | Low | 117 Ų | 117 | 120.9 Ų | 120.9 | 72% | 0.718 | 70% | 0.695 | S | S | * | * | trans | -62.7 | 95.4 | 168 | -50.9 | 0 | 0 | 0 | 0 | 107.4 | Q2 T6 | Q2-T4 PolarHBondContact O-N 3.38Å; T4-T6 VanDerWaalsContact C-N 3.26Å; T4-T6 PolarHBondContact O-N 3.3Å | ||
| 5 | Q | 42.4 | Very low | 56 | Low | 177 Ų | 177 | 113.3 Ų | 113.3 | 83% | 0.827 | 65% | 0.652 | S | S | * | * | trans | -70.1 | 91.9 | 165.6 | -72.1 | -175.1 | -10.8 | 0 | 0 | 106.5 | V3 S7 | V3-Q5 VanDerWaalsContact C-N 3.3Å; V3-Q5 PolarHBondContact O-N 3.39Å; Q5-S7 VanDerWaalsContact C-N 3.31Å; Q5-S7 PolarHBondContact O-N 3.27Å | ||
| 6 | T | 50.2 | Low | 58.1 | Low | 127 Ų | 127 | 110.9 Ų | 110.9 | 78% | 0.779 | 63% | 0.632 | S | S | * | * | trans | -61.4 | 103.8 | 156.8 | 35.4 | 0 | 0 | 0 | 0 | 106.1 | T4 V8 | T4-T6 VanDerWaalsContact C-N 3.26Å; T4-T6 PolarHBondContact O-N 3.3Å; T6-V8 PolarHBondContact O-N 3.38Å; T6-V8 VanDerWaalsContact O-N 3.08Å | ||
| 7 | S | 45.4 | Very low | 59.9 | Low | 112 Ų | 112 | 105.5 Ų | 105.5 | 78% | 0.783 | 60% | 0.6 | S | S | * | * | trans | -54.2 | 113.1 | 176.2 | 43.8 | 0 | 0 | 0 | 0 | 110.4 | Q5 | Q5-S7 VanDerWaalsContact C-N 3.31Å; Q5-S7 PolarHBondContact O-N 3.27Å | ||
| 8 | V | 54.5 | Low | 61.4 | Low | 137 Ų | 137 | 105.7 Ų | 105.7 | 83% | 0.83 | 59% | 0.591 | S | S | * | * | trans | -0.4 | 119 | 151.8 | -171.9 | 0 | 0 | 0 | 0 | 116.4 | T6 | T6-V8 PolarHBondContact O-N 3.38Å; T6-V8 VanDerWaalsContact O-N 3.08Å | ||
| 9 | S | 49.8 | Very low | 62.6 | Low | 85 Ų | 85 | 103.1 Ų | 103.1 | 59% | 0.594 | 57% | 0.573 | S | S | * | * | trans | -148.4 | 97.7 | 139.3 | 172.2 | 0 | 0 | 0 | 0 | 107 | H12 | S9-H12 PolarHBondContact OG-CD2 3.17Å; S9-H12 VanDerWaalsContact OG-CD2 3.23Å | ||
| 10 | A | 48 | Very low | 63.7 | Low | 74 Ų | 74 | 107.1 Ų | 107.1 | 61% | 0.612 | 59% | 0.59 | S | S | * | * | trans | -47.8 | 148.2 | 162.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | H12 | A10-H12 PolarHBondContact O-CD2 3.23Å; A10-H12 PolarHBondContact O-N 3.06Å | ||
| 11 | G | 55.4 | Low | 64.7 | Low | 61 Ų | 61 | 107.3 Ų | 107.3 | 63% | 0.629 | 59% | 0.594 | S | S | * | * | trans | -41.3 | 90.3 | -169.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 12 | H | 66 | Low | 66.8 | Low | 130 Ų | 130 | 99.7 Ų | 99.7 | 60% | 0.602 | 55% | 0.554 | S | S | * | * | trans | -97 | 101.2 | 165.8 | -67.8 | -43.4 | 0 | 0 | 0 | 105.2 | S9 A10 E14 | S9-H12 PolarHBondContact OG-CD2 3.17Å; S9-H12 VanDerWaalsContact OG-CD2 3.23Å; A10-H12 PolarHBondContact O-CD2 3.23Å; A10-H12 PolarHBondContact O-N 3.06Å; H12-E14 PolarHBondContact O-N 3.36Å | ||
| 13 | F | 82.8 | Confident | 69.4 | Low | 72 Ų | 72 | 98.7 Ų | 98.7 | 32% | 0.316 | 55% | 0.549 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 81 | 172.4 | -54.4 | -71.5 | 0 | 0 | 0 | 107.3 | H32 F33 G34 P35 I36 | F13-H32 HydrophobicContact CB-CB 4.03Å; F13-H32 WeakPolarHBondContact O-CB 3.23Å; F13-F33 WeakPolarHBondContact CE2-O 3.29Å; F13-G34 WeakPolarHBondContact CB-O 3.3Å; F13-G34 WeakPolarHBondContact CD2-O 3.31Å; F13-G34 VanDerWaalsContact CE2-CA 3.48Å; F13-G34 WeakPolarHBondContact CG-O 3.45Å; F13-P35 VanDerWaalsContact CD1-CA 3.4Å; F13-P35 HydrophobicContact CD1-CB 4.22Å; F13-P35 HydrophobicContact CD1-CG 4.16Å; F13-P35 HydrophobicContact CE1-CB 4.11Å; F13-P35 HydrophobicContact CE1-CG 3.58Å; F13-P35 HydrophobicContact CZ-CG 3.94Å; F13-I36 HydrophobicContact CB-CG1 4.43Å |
| 14 | E | 87.5 | Confident | 71.3 | Confident | 49 Ų | 49 | 99.3 Ų | 99.3 | 23% | 0.229 | 55% | 0.545 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 139.5 | 178.5 | 60.2 | -177.8 | -157.9 | 0 | 0 | 110.3 | H12 K16 R28 F29 K30 | H12-E14 PolarHBondContact O-N 3.36Å; E14-K16 WeakPolarHBondContact OE1-CE 3.36Å; E14-K16 IonicContact OE1-NZ 2.71Å; E14-K16 PolarHBondContact OE1-NZ 2.7Å; E14-R28 HydrophobicContact CB-CG 4.5Å; E14-R28 IonicContact OE1-CZ 2.88Å; E14-R28 IonicContact OE1-NE 3.83Å; E14-R28 IonicContact OE1-NH1 2.85Å; E14-R28 PolarHBondContact OE1-NH1 3.49Å; E14-R28 WeakPolarHBondContact OE2-CD 3Å; E14-R28 IonicContact OE2-NH1 3.45Å; E14-R28 PolarHBondContact OE2-NH1 3.25Å; E14-F29 VanDerWaalsContact CA-O 3.24Å; E14-F29 WeakPolarHBondContact CA-O 3.27Å; E14-F29 WeakPolarHBondContact CB-O 3.49Å; E14-K30 HydrophobicContact CB-CG 4.41Å; E14-K30 WeakPolarHBondContact OE2-CE 3.49Å |
| 15 | A | 88.5 | Confident | 72.9 | Confident | 7 Ų | 7 | 97.4 Ų | 97.4 | 6% | 0.058 | 53% | 0.528 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 131.3 | 169.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | R28 F29 I36 M39 T50 | A15-R28 CarbonylContact O-C 3.59Å; A15-R28 WeakPolarHBondContact O-CA 3.48Å; A15-F29 HydrophobicContact CB-CB 4.35Å; A15-F29 HydrophobicContact CB-CD2 3.99Å; A15-F29 PolarHBondContact N-O 2.86Å; A15-F29 PolarHBondContact O-N 2.98Å; A15-I36 HydrophobicContact CB-CD1 3.8Å; A15-M39 HydrophobicContact CB-SD 4Å; A15-T50 HydrophobicContact CB-CG2 4.17Å |
| 16 | K | 89.5 | Confident | 75 | Confident | 75 Ų | 75 | 93 Ų | 93 | 33% | 0.326 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 142.8 | 177.3 | -63.8 | -173.6 | -177.3 | -169.5 | 0 | 109.9 | E14 Y18 E25 A27 R28 | E14-K16 WeakPolarHBondContact OE1-CE 3.36Å; E14-K16 IonicContact OE1-NZ 2.71Å; E14-K16 PolarHBondContact OE1-NZ 2.7Å; K16-Y18 HydrophobicContact CB-CD2 4.32Å; K16-Y18 HydrophobicContact CB-CE2 3.56Å; K16-Y18 HydrophobicContact CD-CE2 4.19Å; K16-Y18 VanDerWaalsContact CD-OH 3.23Å; K16-Y18 WeakPolarHBondContact CD-OH 3.43Å; K16-E25 IonicContact NZ-OE2 3.58Å; K16-A27 WeakPolarHBondContact CA-O 3.28Å; K16-R28 HydrophobicContact CG-CG 4.27Å |
| 17 | I | 89 | Confident | 76.7 | Confident | 19 Ų | 19 | 87.6 Ų | 87.6 | 10% | 0.097 | 47% | 0.474 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 134.2 | 175 | -35.7 | -174 | 0 | 0 | 0 | 109.3 | F26 A27 F29 W41 I48 F62 | I17-F26 HydrophobicContact CB-CE1 3.88Å; I17-F26 HydrophobicContact CB-CE2 4.21Å; I17-F26 HydrophobicContact CB-CZ 3.71Å; I17-F26 HydrophobicContact CD1-CZ 4.44Å; I17-F26 HydrophobicContact CG2-CE1 3.47Å; I17-F26 VanDerWaalsContact CG2-CE1 3.47Å; I17-F26 HydrophobicContact CG2-CE2 4.22Å; I17-F26 HydrophobicContact CG2-CZ 3.3Å; I17-F26 PolarHBondContact O-N 2.97Å; I17-F26 VanDerWaalsContact O-N 3.09Å; I17-A27 HydrophobicContact CB-CB 4.15Å; I17-A27 HydrophobicContact CD1-CB 4.04Å; I17-A27 HydrophobicContact CG1-CB 4.01Å; I17-A27 PolarHBondContact N-O 2.79Å; I17-F29 HydrophobicContact CD1-CE2 3.57Å; I17-F29 HydrophobicContact CD1-CZ 3.81Å; I17-F29 HydrophobicContact CG1-CE2 3.98Å; I17-F29 HydrophobicContact CG1-CZ 4.48Å; I17-W41 HydrophobicContact CD1-CH2 3.47Å; I17-W41 VanDerWaalsContact CD1-CH2 3.47Å; I17-W41 HydrophobicContact CD1-CZ2 3.67Å; I17-W41 HydrophobicContact CG2-CH2 4.06Å; I17-W41 HydrophobicContact CG2-CZ2 3.91Å; I17-I48 HydrophobicContact CD1-CD1 4.23Å; I17-F62 HydrophobicContact CD1-CE1 3.54Å; I17-F62 HydrophobicContact CD1-CZ 3.49Å; I17-F62 VanDerWaalsContact CD1-CZ 3.49Å |
| 18 | Y | 87.7 | Confident | 78.7 | Confident | 109 Ų | 109 | 87 Ų | 87 | 43% | 0.427 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 144.4 | -176.3 | -68 | -90.8 | 0 | 0 | 0 | 110.5 | K16 M20 E24 E25 | K16-Y18 HydrophobicContact CB-CD2 4.32Å; K16-Y18 HydrophobicContact CB-CE2 3.56Å; K16-Y18 HydrophobicContact CD-CE2 4.19Å; K16-Y18 VanDerWaalsContact CD-OH 3.23Å; K16-Y18 WeakPolarHBondContact CD-OH 3.43Å; Y18-M20 PolarHBondContact O-N 2.83Å; Y18-E24 CarbonylContact C-O 3.52Å; Y18-E24 VanDerWaalsContact CA-O 3.28Å; Y18-E24 WeakPolarHBondContact CA-O 3.5Å; Y18-E25 HydrophobicContact CD1-CB 4.03Å; Y18-E25 HydrophobicContact CE1-CB 3.66Å; Y18-E25 HydrophobicContact CE1-CG 4.28Å |
| 19 | H | 84.5 | Confident | 80.3 | Confident | 55 Ų | 55 | 81.8 Ų | 81.8 | 26% | 0.255 | 42% | 0.421 | S | S | . | . | trans | -72.9 | 118.1 | 165.3 | -165.3 | -89 | 0 | 0 | 0 | 108.8 | V21 F22 E23 E24 | H19-V21 PolarHBondContact ND1-N 3.45Å; H19-V21 PolarHBondContact O-N 2.86Å; H19-F22 HydrophobicContact CB-CB 4.35Å; H19-F22 HydrophobicContact CB-CD2 4.31Å; H19-F22 AromaticContact CE1-CD2 3.29Å; H19-F22 WeakPolarHBondContact CE1-CD2 3.39Å; H19-F22 AromaticContact CE1-CE2 3.27Å; H19-F22 WeakPolarHBondContact CE1-CE2 3.43Å; H19-F22 AromaticContact CG-CD2 3.58Å; H19-F22 AromaticContact ND1-CD2 3Å; H19-F22 WeakPolarHBondContact ND1-CD2 3.2Å; H19-F22 AromaticContact ND1-CE2 3.55Å; H19-F22 AromaticContact ND1-CG 3.62Å; H19-F22 PolarHBondContact ND1-N 2.89Å; H19-F22 AromaticContact NE2-CD2 3.98Å; H19-F22 AromaticContact NE2-CE2 3.88Å; H19-F22 PolarHBondContact O-N 3.12Å; H19-E23 WeakPolarHBondContact O-CA 3.24Å; H19-E23 PolarHBondContact O-N 2.87Å; H19-E24 PolarHBondContact N-O 3.39Å | ||
| 20 | M | 83.2 | Confident | 82.1 | Confident | 184 Ų | 184 | 84.7 Ų | 84.7 | 91% | 0.906 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -27.5 | -175.1 | -71.2 | -166.4 | -66.2 | 0 | 0 | 113.7 | Y18 | Y18-M20 PolarHBondContact O-N 2.83Š|
| 21 | V | 85.6 | Confident | 83.7 | Confident | 112 Ų | 112 | 83.3 Ų | 83.3 | 68% | 0.679 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | -34.3 | -177.2 | -172.7 | 0 | 0 | 0 | 0 | 112.4 | H19 | H19-V21 PolarHBondContact ND1-N 3.45Å; H19-V21 PolarHBondContact O-N 2.86Å |
| 22 | F | 83.6 | Confident | 85.2 | Confident | 81 Ų | 81 | 81 Ų | 81 | 36% | 0.355 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103 | -10.1 | -173.3 | -56.9 | -53.8 | 0 | 0 | 0 | 112.3 | H19 E24 F69 Y71 | H19-F22 HydrophobicContact CB-CB 4.35Å; H19-F22 HydrophobicContact CB-CD2 4.31Å; H19-F22 AromaticContact CE1-CD2 3.29Å; H19-F22 WeakPolarHBondContact CE1-CD2 3.39Å; H19-F22 AromaticContact CE1-CE2 3.27Å; H19-F22 WeakPolarHBondContact CE1-CE2 3.43Å; H19-F22 AromaticContact CG-CD2 3.58Å; H19-F22 AromaticContact ND1-CD2 3Å; H19-F22 WeakPolarHBondContact ND1-CD2 3.2Å; H19-F22 AromaticContact ND1-CE2 3.55Å; H19-F22 AromaticContact ND1-CG 3.62Å; H19-F22 PolarHBondContact ND1-N 2.89Å; H19-F22 AromaticContact NE2-CD2 3.98Å; H19-F22 AromaticContact NE2-CE2 3.88Å; H19-F22 PolarHBondContact O-N 3.12Å; F22-E24 HydrophobicContact CB-CB 4.36Å; F22-E24 HydrophobicContact CB-CG 4.01Å; F22-E24 PolarHBondContact O-N 2.83Å; F22-E24 VanDerWaalsContact O-N 3.12Å; F22-F69 HydrophobicContact CE2-CZ 4.44Å; F22-Y71 HydrophobicContact CE1-CE2 4.3Å; F22-Y71 HydrophobicContact CE2-CD2 4.25Å; F22-Y71 HydrophobicContact CE2-CE2 4.13Å; F22-Y71 AromaticContact CZ-CD2 3.93Å; F22-Y71 HydrophobicContact CZ-CD2 3.93Å; F22-Y71 AromaticContact CZ-CE2 3.43Å; F22-Y71 HydrophobicContact CZ-CE2 3.43Å; F22-Y71 VanDerWaalsContact CZ-CE2 3.43Å; F22-Y71 AromaticContact CZ-CZ 3.76Å |
| 23 | E | 87 | Confident | 86.1 | Confident | 170 Ų | 170 | 83.7 Ų | 83.7 | 79% | 0.794 | 40% | 0.399 | S | S | * | . | trans | 57.3 | 20.2 | -174 | -56.2 | -175.7 | 172.1 | 0 | 0 | 113.3 | H19 | H19-E23 WeakPolarHBondContact O-CA 3.24Å; H19-E23 PolarHBondContact O-N 2.87Å | ||
| 24 | E | 85.6 | Confident | 86.2 | Confident | 133 Ų | 133 | 80.7 Ų | 80.7 | 62% | 0.621 | 39% | 0.388 | S | S | * | . | trans | -90.1 | 134.6 | -179.1 | -67.7 | -172.6 | 159.3 | 0 | 0 | 111.5 | Y18 H19 F22 F26 | Y18-E24 CarbonylContact C-O 3.52Å; Y18-E24 VanDerWaalsContact CA-O 3.28Å; Y18-E24 WeakPolarHBondContact CA-O 3.5Å; H19-E24 PolarHBondContact N-O 3.39Å; F22-E24 HydrophobicContact CB-CB 4.36Å; F22-E24 HydrophobicContact CB-CG 4.01Å; F22-E24 PolarHBondContact O-N 2.83Å; F22-E24 VanDerWaalsContact O-N 3.12Å; E24-F26 PolarHBondContact O-N 2.85Å | ||
| 25 | E | 85.5 | Confident | 86.2 | Confident | 77 Ų | 77 | 80.6 Ų | 80.6 | 36% | 0.36 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 117.3 | 171.7 | -174.6 | -174.4 | 136 | 0 | 0 | 108.8 | K16 Y18 R28 | K16-E25 IonicContact NZ-OE2 3.58Å; Y18-E25 HydrophobicContact CD1-CB 4.03Å; Y18-E25 HydrophobicContact CE1-CB 3.66Å; Y18-E25 HydrophobicContact CE1-CG 4.28Å; E25-R28 VanDerWaalsContact CD-NH2 3.3Å; E25-R28 IonicContact OE1-CZ 3.49Å; E25-R28 VanDerWaalsContact OE1-CZ 3.23Å; E25-R28 IonicContact OE1-NE 3.23Å; E25-R28 PolarHBondContact OE1-NE 2.95Å; E25-R28 IonicContact OE1-NH2 3.46Å; E25-R28 PolarHBondContact OE1-NH2 3.35Å; E25-R28 IonicContact OE2-CZ 2.89Å; E25-R28 IonicContact OE2-NE 3.73Å; E25-R28 IonicContact OE2-NH2 3.78Å; E25-R28 PolarHBondContact OE2-NH2 3.15Å |
| 26 | F | 85.7 | Confident | 86.4 | Confident | 83 Ų | 83 | 82.3 Ų | 82.3 | 36% | 0.364 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | -16.7 | 178 | 72.8 | -95.3 | 0 | 0 | 0 | 113.2 | I17 E24 F62 Y66 | I17-F26 HydrophobicContact CB-CE1 3.88Å; I17-F26 HydrophobicContact CB-CE2 4.21Å; I17-F26 HydrophobicContact CB-CZ 3.71Å; I17-F26 HydrophobicContact CD1-CZ 4.44Å; I17-F26 HydrophobicContact CG2-CE1 3.47Å; I17-F26 VanDerWaalsContact CG2-CE1 3.47Å; I17-F26 HydrophobicContact CG2-CE2 4.22Å; I17-F26 HydrophobicContact CG2-CZ 3.3Å; I17-F26 PolarHBondContact O-N 2.97Å; I17-F26 VanDerWaalsContact O-N 3.09Å; E24-F26 PolarHBondContact O-N 2.85Å; F26-F62 HydrophobicContact CE2-CE1 4.3Å; F26-Y66 AromaticContact CD2-CD2 3.81Å; F26-Y66 HydrophobicContact CD2-CD2 3.81Å; F26-Y66 HydrophobicContact CD2-CE2 4.01Å; F26-Y66 HydrophobicContact CE1-CE2 4.39Å; F26-Y66 AromaticContact CE2-CD2 3.39Å; F26-Y66 HydrophobicContact CE2-CD2 3.39Å; F26-Y66 AromaticContact CE2-CE2 3.19Å; F26-Y66 HydrophobicContact CE2-CE2 3.19Å; F26-Y66 HydrophobicContact CE2-CG 4.39Å; F26-Y66 HydrophobicContact CZ-CD2 4.08Å; F26-Y66 AromaticContact CZ-CE2 3.41Å; F26-Y66 HydrophobicContact CZ-CE2 3.41Å; F26-Y66 VanDerWaalsContact CZ-CE2 3.41Å |
| 27 | A | 85.6 | Confident | 86.4 | Confident | 14 Ų | 14 | 84.4 Ų | 84.4 | 12% | 0.116 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 143.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | K16 I17 F29 F62 | K16-A27 WeakPolarHBondContact CA-O 3.28Å; I17-A27 HydrophobicContact CB-CB 4.15Å; I17-A27 HydrophobicContact CD1-CB 4.04Å; I17-A27 HydrophobicContact CG1-CB 4.01Å; I17-A27 PolarHBondContact N-O 2.79Å; A27-F29 HydrophobicContact CB-CE1 4.37Å; A27-F29 HydrophobicContact CB-CZ 4.19Å; A27-F62 HydrophobicContact CB-CE1 4.35Å |
| 28 | R | 88.1 | Confident | 86.5 | Confident | 100 Ų | 100 | 87.6 Ų | 87.6 | 38% | 0.377 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 123.8 | 175.8 | -178.3 | -174.3 | -65.1 | -151.3 | 14.5 | 110.7 | E14 A15 K16 E25 K30 | E14-R28 HydrophobicContact CB-CG 4.5Å; E14-R28 IonicContact OE1-CZ 2.88Å; E14-R28 IonicContact OE1-NE 3.83Å; E14-R28 IonicContact OE1-NH1 2.85Å; E14-R28 PolarHBondContact OE1-NH1 3.49Å; E14-R28 WeakPolarHBondContact OE2-CD 3Å; E14-R28 IonicContact OE2-NH1 3.45Å; E14-R28 PolarHBondContact OE2-NH1 3.25Å; A15-R28 CarbonylContact O-C 3.59Å; A15-R28 WeakPolarHBondContact O-CA 3.48Å; K16-R28 HydrophobicContact CG-CG 4.27Å; E25-R28 VanDerWaalsContact CD-NH2 3.3Å; E25-R28 IonicContact OE1-CZ 3.49Å; E25-R28 VanDerWaalsContact OE1-CZ 3.23Å; E25-R28 IonicContact OE1-NE 3.23Å; E25-R28 PolarHBondContact OE1-NE 2.95Å; E25-R28 IonicContact OE1-NH2 3.46Å; E25-R28 PolarHBondContact OE1-NH2 3.35Å; E25-R28 IonicContact OE2-CZ 2.89Å; E25-R28 IonicContact OE2-NE 3.73Å; E25-R28 IonicContact OE2-NH2 3.78Å; E25-R28 PolarHBondContact OE2-NH2 3.15Å; R28-K30 HydrophobicContact CG-CG 4.39Å |
| 29 | F | 87.9 | Confident | 86.7 | Confident | 27 Ų | 27 | 87 Ų | 87 | 12% | 0.118 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 118.4 | 177.9 | -47.5 | -52.3 | 0 | 0 | 0 | 110.4 | E14 A15 I17 A27 I48 Q60 F62 | E14-F29 VanDerWaalsContact CA-O 3.24Å; E14-F29 WeakPolarHBondContact CA-O 3.27Å; E14-F29 WeakPolarHBondContact CB-O 3.49Å; A15-F29 HydrophobicContact CB-CB 4.35Å; A15-F29 HydrophobicContact CB-CD2 3.99Å; A15-F29 PolarHBondContact N-O 2.86Å; A15-F29 PolarHBondContact O-N 2.98Å; I17-F29 HydrophobicContact CD1-CE2 3.57Å; I17-F29 HydrophobicContact CD1-CZ 3.81Å; I17-F29 HydrophobicContact CG1-CE2 3.98Å; I17-F29 HydrophobicContact CG1-CZ 4.48Å; A27-F29 HydrophobicContact CB-CE1 4.37Å; A27-F29 HydrophobicContact CB-CZ 4.19Å; F29-I48 HydrophobicContact CD2-CG2 4.35Å; F29-I48 HydrophobicContact CE2-CD1 4.33Å; F29-I48 HydrophobicContact CE2-CG2 3.45Å; F29-I48 VanDerWaalsContact CE2-CG2 3.45Å; F29-I48 HydrophobicContact CZ-CG2 3.66Å; F29-Q60 HydrophobicContact CB-CG 4.39Å; F29-Q60 HydrophobicContact CD1-CB 3.88Å; F29-Q60 HydrophobicContact CD1-CG 3.47Å; F29-Q60 VanDerWaalsContact CD1-CG 3.47Å; F29-Q60 HydrophobicContact CD2-CG 4.44Å; F29-Q60 HydrophobicContact CE1-CB 3.55Å; F29-Q60 HydrophobicContact CE1-CG 3.71Å; F29-Q60 HydrophobicContact CE2-CB 4.32Å; F29-Q60 HydrophobicContact CG-CB 4.37Å; F29-Q60 HydrophobicContact CG-CG 3.85Å; F29-Q60 HydrophobicContact CZ-CB 3.78Å; F29-Q60 HydrophobicContact CZ-CG 4.29Å; F29-F62 AromaticContact CZ-CE1 3.79Å; F29-F62 HydrophobicContact CZ-CE1 3.79Å; F29-F62 HydrophobicContact CZ-CZ 4.03Å |
| 30 | K | 86.6 | Confident | 87.2 | Confident | 146 Ų | 146 | 87 Ų | 87 | 64% | 0.635 | 45% | 0.447 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 157.6 | 175.3 | -62.4 | -177.7 | -179.4 | 178.9 | 0 | 109.8 | E14 R28 | E14-K30 HydrophobicContact CB-CG 4.41Å; E14-K30 WeakPolarHBondContact OE2-CE 3.49Å; R28-K30 HydrophobicContact CG-CG 4.39Å |
| 31 | G | 82.6 | Confident | 87.6 | Confident | 45 Ų | 45 | 83.5 Ų | 83.5 | 46% | 0.464 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 127.5 | -13.4 | 166.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | F33 R58 | G31-F33 PolarHBondContact O-N 3.14Å; G31-R58 PolarHBondContact O-NH2 3.19Å |
| 32 | H | 87 | Confident | 87.9 | Confident | 14 Ų | 14 | 82.5 Ų | 82.5 | 7% | 0.065 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 133.5 | 170 | -77.1 | -80.8 | 0 | 0 | 0 | 110.6 | F13 I36 T50 G52 D54 Y56 R58 | F13-H32 HydrophobicContact CB-CB 4.03Å; F13-H32 WeakPolarHBondContact O-CB 3.23Å; H32-I36 HydrophobicContact CB-CD1 4.36Å; H32-I36 HydrophobicContact CB-CG1 4Å; H32-T50 PolarHBondContact NE2-OG1 3.15Å; H32-T50 VanDerWaalsContact NE2-OG1 3.15Å; H32-G52 PolarHBondContact CE1-N 3.42Å; H32-G52 VanDerWaalsContact CE1-N 3.32Å; H32-G52 WeakPolarHBondContact ND1-CA 3.41Å; H32-D54 WeakPolarHBondContact CA-OD2 3.49Å; H32-D54 IonicContact CE1-OD1 3.79Å; H32-D54 IonicContact CG-OD2 3.9Å; H32-D54 IonicContact ND1-OD1 3.02Å; H32-D54 PolarHBondContact ND1-OD1 2.85Å; H32-D54 IonicContact ND1-OD2 3.31Å; H32-D54 PolarHBondContact ND1-OD2 2.88Å; H32-Y56 PolarHBondContact CE1-O 3.31Å; H32-R58 PolarHBondContact CE1-NH1 2.92Å; H32-R58 PolarHBondContact ND1-NH1 3.33Å |
| 33 | F | 84.5 | Confident | 88.1 | Confident | 186 Ų | 186 | 84.9 Ų | 84.9 | 82% | 0.816 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -94.5 | -4.9 | 178.2 | -158.9 | -97.6 | 0 | 0 | 0 | 112.5 | F13 G31 D54 | F13-F33 WeakPolarHBondContact CE2-O 3.29Å; G31-F33 PolarHBondContact O-N 3.14Å; F33-D54 HydrophobicContact CB-CB 4.13Å; F33-D54 PolarHBondContact N-OD2 2.71Å; F33-D54 VanDerWaalsContact N-OD2 3.11Å |
| 34 | G | 86.2 | Confident | 88.2 | Confident | 9 Ų | 9 | 80 Ų | 80 | 9% | 0.093 | 42% | 0.419 | C | S | . | . | S | Bend | trans | -139.4 | 169.6 | 177 | 0 | 0 | 0 | 0 | 0 | 111.6 | F13 I36 | F13-G34 WeakPolarHBondContact CB-O 3.3Å; F13-G34 WeakPolarHBondContact CD2-O 3.31Å; F13-G34 VanDerWaalsContact CE2-CA 3.48Å; F13-G34 WeakPolarHBondContact CG-O 3.45Å; G34-I36 PolarHBondContact O-N 2.91Å |
| 35 | P | 87.6 | Confident | 88.2 | Confident | 47 Ų | 47 | 74.8 Ų | 74.8 | 31% | 0.305 | 40% | 0.402 | S | S | . | . | trans | -49.5 | 134.5 | 179.1 | -25.9 | 33 | 0 | 0 | 0 | 112.8 | F13 N37 G52 E53 | F13-P35 VanDerWaalsContact CD1-CA 3.4Å; F13-P35 HydrophobicContact CD1-CB 4.22Å; F13-P35 HydrophobicContact CD1-CG 4.16Å; F13-P35 HydrophobicContact CE1-CB 4.11Å; F13-P35 HydrophobicContact CE1-CG 3.58Å; F13-P35 HydrophobicContact CZ-CG 3.94Å; P35-N37 PolarHBondContact O-N 2.89Å; P35-G52 CarbonylContact O-C 3.59Å; P35-G52 VanDerWaalsContact O-CA 3.31Å; P35-G52 WeakPolarHBondContact O-CA 3.43Å; P35-E53 PolarHBondContact O-N 2.89Å | ||
| 36 | I | 90.8 | Very high | 88.3 | Confident | 42 Ų | 42 | 73.6 Ų | 73.6 | 22% | 0.215 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 112.6 | 172.6 | -58 | 175.2 | 0 | 0 | 0 | 107 | F13 A15 H32 G34 M39 | F13-I36 HydrophobicContact CB-CG1 4.43Å; A15-I36 HydrophobicContact CB-CD1 3.8Å; H32-I36 HydrophobicContact CB-CD1 4.36Å; H32-I36 HydrophobicContact CB-CG1 4Å; G34-I36 PolarHBondContact O-N 2.91Å; I36-M39 HydrophobicContact CG2-CG 4.01Å |
| 37 | N | 90.9 | Very high | 88.6 | Confident | 119 Ų | 119 | 71.8 Ų | 71.8 | 64% | 0.636 | 39% | 0.393 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.4 | -17.7 | -175.7 | -69.6 | -47 | 0 | 0 | 0 | 112.4 | P35 G51 | P35-N37 PolarHBondContact O-N 2.89Å; N37-G51 PolarHBondContact N-O 2.9Å |
| 38 | T | 90.3 | Very high | 88.9 | Confident | 87 Ų | 87 | 71.2 Ų | 71.2 | 53% | 0.534 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 144.2 | -177.8 | -170.8 | 0 | 0 | 0 | 0 | 111.6 | G51 | T38-G51 PolarHBondContact N-O 3.41Å; T38-G51 PolarHBondContact O-N 3.09Å |
| 39 | M | 92.7 | Very high | 89.2 | Confident | 95 Ų | 95 | 68 Ų | 68 | 47% | 0.468 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 142.8 | 169.5 | -50.8 | -166.4 | -34.2 | 0 | 0 | 109.1 | A15 I36 I48 A49 T50 | A15-M39 HydrophobicContact CB-SD 4Å; I36-M39 HydrophobicContact CG2-CG 4.01Å; M39-I48 HydrophobicContact CE-CD1 4.44Å; M39-A49 CarbonylContact C-O 3.55Å; M39-A49 VanDerWaalsContact CA-O 3.24Å; M39-A49 WeakPolarHBondContact CA-O 3.26Å; M39-T50 HydrophobicContact CG-CG2 4.13Å; M39-T50 HydrophobicContact SD-CG2 4.24Å |
| 40 | A | 93.8 | Very high | 89.4 | Confident | 55 Ų | 55 | 66.8 Ų | 66.8 | 46% | 0.455 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 132.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | A49 | A40-A49 PolarHBondContact N-O 3.31Å; A40-A49 PolarHBondContact O-N 3Å |
| 41 | W | 92.1 | Very high | 89.8 | Confident | 111 Ų | 111 | 60.2 Ų | 60.2 | 42% | 0.42 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 141.3 | 173.5 | -68.6 | 84.8 | 0 | 0 | 0 | 109.9 | I17 I48 F62 | I17-W41 HydrophobicContact CD1-CH2 3.47Å; I17-W41 VanDerWaalsContact CD1-CH2 3.47Å; I17-W41 HydrophobicContact CD1-CZ2 3.67Å; I17-W41 HydrophobicContact CG2-CH2 4.06Å; I17-W41 HydrophobicContact CG2-CZ2 3.91Å; W41-I48 HydrophobicContact CD2-CB 4.39Å; W41-I48 HydrophobicContact CD2-CD1 4.16Å; W41-I48 HydrophobicContact CD2-CG1 4.24Å; W41-I48 HydrophobicContact CE3-CB 4.32Å; W41-I48 HydrophobicContact CH2-CD1 4.42Å; W41-I48 HydrophobicContact CZ2-CD1 3.81Å; W41-F62 AromaticContact CE3-CE2 3.78Å; W41-F62 HydrophobicContact CE3-CE2 3.78Å; W41-F62 HydrophobicContact CE3-CZ 4.15Å; W41-F62 HydrophobicContact CH2-CE1 4.19Å; W41-F62 AromaticContact CH2-CE2 3.81Å; W41-F62 HydrophobicContact CH2-CE2 3.81Å; W41-F62 AromaticContact CH2-CZ 3.34Å; W41-F62 HydrophobicContact CH2-CZ 3.34Å; W41-F62 HydrophobicContact CZ2-CZ 4.4Å; W41-F62 HydrophobicContact CZ3-CD2 4.12Å; W41-F62 HydrophobicContact CZ3-CE1 4.26Å; W41-F62 AromaticContact CZ3-CE2 3.11Å; W41-F62 HydrophobicContact CZ3-CE2 3.11Å; W41-F62 AromaticContact CZ3-CZ 3.19Å; W41-F62 HydrophobicContact CZ3-CZ 3.19Å |
| 42 | H | 91.6 | Very high | 90.2 | Very high | 92 Ų | 92 | 58.8 Ų | 58.8 | 43% | 0.426 | 34% | 0.337 | S | S | . | . | trans | -72 | 144 | 167.4 | -175.1 | -96.8 | 0 | 0 | 0 | 110 | S44 G45 I47 | H42-S44 PolarHBondContact CE1-OG 3.26Å; H42-S44 WeakPolarHBondContact ND1-CB 3.49Å; H42-S44 PolarHBondContact ND1-N 3.46Å; H42-S44 PolarHBondContact ND1-OG 3.44Å; H42-S44 PolarHBondContact O-N 2.83Å; H42-G45 PolarHBondContact O-N 2.86Å; H42-I47 HydrophobicContact CB-CD1 3.99Å; H42-I47 HydrophobicContact CB-CG1 3.27Å; H42-I47 PolarHBondContact N-O 2.88Å | ||
| 43 | P | 89.2 | Confident | 90.3 | Very high | 131 Ų | 131 | 64.7 Ų | 64.7 | 85% | 0.851 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -23.2 | -177.5 | -27.4 | 35.6 | 0 | 0 | 0 | 115.3 | G45 | P43-G45 VanDerWaalsContact C-N 3.29Š|
| 44 | S | 87.8 | Confident | 90.4 | Very high | 67 Ų | 67 | 57.5 Ų | 57.5 | 47% | 0.469 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -7.6 | 174 | 66.6 | 0 | 0 | 0 | 0 | 114.1 | H42 T46 | H42-S44 PolarHBondContact CE1-OG 3.26Å; H42-S44 WeakPolarHBondContact ND1-CB 3.49Å; H42-S44 PolarHBondContact ND1-N 3.46Å; H42-S44 PolarHBondContact ND1-OG 3.44Å; H42-S44 PolarHBondContact O-N 2.83Å; S44-T46 PolarHBondContact O-N 3.21Å; S44-T46 PolarHBondContact OG-N 3.18Å; S44-T46 PolarHBondContact OG-OG1 2.83Å |
| 45 | G | 85.6 | Confident | 90.5 | Very high | 24 Ų | 24 | 60.4 Ų | 60.4 | 25% | 0.247 | 36% | 0.364 | C | S | . | . | S | Bend | trans | 72 | 4.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | H42 P43 F62 | H42-G45 PolarHBondContact O-N 2.86Å; P43-G45 VanDerWaalsContact C-N 3.29Å; G45-F62 WeakPolarHBondContact O-CD2 3.31Å |
| 46 | T | 87.9 | Confident | 90.6 | Very high | 51 Ų | 51 | 65.4 Ų | 65.4 | 31% | 0.313 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -86.2 | -22.4 | -174 | 58.2 | 0 | 0 | 0 | 0 | 114.1 | S44 F62 L67 | S44-T46 PolarHBondContact O-N 3.21Å; S44-T46 PolarHBondContact OG-N 3.18Å; S44-T46 PolarHBondContact OG-OG1 2.83Å; T46-F62 WeakPolarHBondContact O-CD2 3.45Å; T46-F62 PolarHBondContact O-N 3.18Å; T46-L67 HydrophobicContact CG2-CD1 4.17Å; T46-L67 HydrophobicContact CG2-CD2 4.06Å |
| 47 | I | 91.3 | Very high | 90.6 | Very high | 46 Ų | 46 | 69.7 Ų | 69.7 | 24% | 0.236 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 154.8 | -178.6 | 70.8 | 175.3 | 0 | 0 | 0 | 111.2 | H42 I59 Q60 E61 | H42-I47 HydrophobicContact CB-CD1 3.99Å; H42-I47 HydrophobicContact CB-CG1 3.27Å; H42-I47 PolarHBondContact N-O 2.88Å; I47-I59 HydrophobicContact CB-CG2 4.32Å; I47-I59 HydrophobicContact CD1-CG2 4.2Å; I47-Q60 CarbonylContact C-O 3.57Å; I47-Q60 WeakPolarHBondContact CA-O 3.42Å; I47-Q60 WeakPolarHBondContact CB-O 3.24Å; I47-E61 HydrophobicContact CG2-CB 4.09Å; I47-E61 HydrophobicContact CG2-CG 3.71Å |
| 48 | I | 92.6 | Very high | 90.6 | Very high | 1 Ų | 1 | 67 Ų | 67 | 1% | 0.005 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 137.3 | 171.5 | -171.5 | 176.2 | 0 | 0 | 0 | 109.6 | I17 F29 M39 W41 I59 Q60 F62 | I17-I48 HydrophobicContact CD1-CD1 4.23Å; F29-I48 HydrophobicContact CD2-CG2 4.35Å; F29-I48 HydrophobicContact CE2-CD1 4.33Å; F29-I48 HydrophobicContact CE2-CG2 3.45Å; F29-I48 VanDerWaalsContact CE2-CG2 3.45Å; F29-I48 HydrophobicContact CZ-CG2 3.66Å; M39-I48 HydrophobicContact CE-CD1 4.44Å; W41-I48 HydrophobicContact CD2-CB 4.39Å; W41-I48 HydrophobicContact CD2-CD1 4.16Å; W41-I48 HydrophobicContact CD2-CG1 4.24Å; W41-I48 HydrophobicContact CE3-CB 4.32Å; W41-I48 HydrophobicContact CH2-CD1 4.42Å; W41-I48 HydrophobicContact CZ2-CD1 3.81Å; I48-I59 WeakPolarHBondContact O-CA 3.43Å; I48-Q60 HydrophobicContact CG2-CB 3.84Å; I48-Q60 PolarHBondContact N-O 3.32Å; I48-Q60 PolarHBondContact O-N 3.48Å; I48-F62 HydrophobicContact CB-CE2 4.04Å; I48-F62 HydrophobicContact CB-CZ 4.08Å; I48-F62 HydrophobicContact CG2-CE2 3.95Å; I48-F62 HydrophobicContact CG2-CZ 3.69Å |
| 49 | A | 93.9 | Very high | 90.7 | Very high | 34 Ų | 34 | 68.2 Ų | 68.2 | 28% | 0.281 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 133.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | M39 A40 I57 R58 | M39-A49 CarbonylContact C-O 3.55Å; M39-A49 VanDerWaalsContact CA-O 3.24Å; M39-A49 WeakPolarHBondContact CA-O 3.26Å; A40-A49 PolarHBondContact N-O 3.31Å; A40-A49 PolarHBondContact O-N 3Å; A49-I57 HydrophobicContact CB-CG2 4.49Å; A49-R58 CarbonylContact C-O 3.53Å; A49-R58 WeakPolarHBondContact CA-O 2.83Å |
| 50 | T | 93.7 | Very high | 90.6 | Very high | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 132.1 | 176.9 | 52 | 0 | 0 | 0 | 0 | 109.5 | A15 H32 M39 I57 R58 Q60 | A15-T50 HydrophobicContact CB-CG2 4.17Å; H32-T50 PolarHBondContact NE2-OG1 3.15Å; H32-T50 VanDerWaalsContact NE2-OG1 3.15Å; M39-T50 HydrophobicContact CG-CG2 4.13Å; M39-T50 HydrophobicContact SD-CG2 4.24Å; T50-I57 CarbonylContact O-C 3.54Å; T50-I57 VanDerWaalsContact O-CA 3.3Å; T50-I57 WeakPolarHBondContact O-CA 3.36Å; T50-R58 PolarHBondContact N-O 3.5Å; T50-R58 PolarHBondContact O-N 3.11Å; T50-R58 PolarHBondContact OG1-O 2.78Å; T50-Q60 PolarHBondContact OG1-OE1 3.27Å |
| 51 | G | 93.3 | Very high | 90.4 | Very high | 9 Ų | 9 | 69.8 Ų | 69.8 | 9% | 0.093 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 123.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111 | N37 T38 | N37-G51 PolarHBondContact N-O 2.9Å; T38-G51 PolarHBondContact N-O 3.41Å; T38-G51 PolarHBondContact O-N 3.09Å |
| 52 | G | 90.8 | Very high | 90.1 | Very high | 14 Ų | 14 | 65.6 Ų | 65.6 | 14% | 0.144 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 160.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113 | H32 P35 D54 G55 Y56 | H32-G52 PolarHBondContact CE1-N 3.42Å; H32-G52 VanDerWaalsContact CE1-N 3.32Å; H32-G52 WeakPolarHBondContact ND1-CA 3.41Å; P35-G52 CarbonylContact O-C 3.59Å; P35-G52 VanDerWaalsContact O-CA 3.31Å; P35-G52 WeakPolarHBondContact O-CA 3.43Å; G52-D54 VanDerWaalsContact CA-OD1 3.31Å; G52-D54 WeakPolarHBondContact CA-OD1 3.12Å; G52-D54 PolarHBondContact O-N 3.05Å; G52-G55 PolarHBondContact O-N 2.93Å; G52-Y56 PolarHBondContact N-O 2.8Å |
| 53 | E | 89.1 | Confident | 89.7 | Confident | 139 Ų | 139 | 67.2 Ų | 67.2 | 65% | 0.65 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -9.6 | 168.4 | -158.8 | 175.9 | 167.4 | 0 | 0 | 112.5 | P35 G55 | P35-E53 PolarHBondContact O-N 2.89Å; E53-G55 PolarHBondContact O-N 3.41Å; E53-G55 VanDerWaalsContact O-N 3.17Å |
| 54 | D | 87.4 | Confident | 89.1 | Confident | 34 Ų | 34 | 69 Ų | 69 | 18% | 0.182 | 37% | 0.374 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -3.3 | 170.6 | 64.2 | -15.1 | 0 | 0 | 0 | 113.7 | H32 F33 G52 Y56 R58 | H32-D54 WeakPolarHBondContact CA-OD2 3.49Å; H32-D54 IonicContact CE1-OD1 3.79Å; H32-D54 IonicContact CG-OD2 3.9Å; H32-D54 IonicContact ND1-OD1 3.02Å; H32-D54 PolarHBondContact ND1-OD1 2.85Å; H32-D54 IonicContact ND1-OD2 3.31Å; H32-D54 PolarHBondContact ND1-OD2 2.88Å; F33-D54 HydrophobicContact CB-CB 4.13Å; F33-D54 PolarHBondContact N-OD2 2.71Å; F33-D54 VanDerWaalsContact N-OD2 3.11Å; G52-D54 VanDerWaalsContact CA-OD1 3.31Å; G52-D54 WeakPolarHBondContact CA-OD1 3.12Å; G52-D54 PolarHBondContact O-N 3.05Å; D54-Y56 VanDerWaalsContact C-N 3.27Å; D54-Y56 HydrophobicContact CB-CD2 4.36Å; D54-Y56 VanDerWaalsContact O-CD2 3.26Å; D54-Y56 WeakPolarHBondContact O-CD2 3.05Å; D54-Y56 PolarHBondContact O-N 3.46Å; D54-Y56 PolarHBondContact OD1-N 3.39Å; D54-R58 IonicContact OD1-NH1 3.78Å; D54-R58 IonicContact OD2-CZ 3.59Å; D54-R58 IonicContact OD2-NH1 2.78Å; D54-R58 PolarHBondContact OD2-NH1 3.17Å; D54-R58 IonicContact OD2-NH2 3.5Å; D54-R58 PolarHBondContact OD2-NH2 3.49Å |
| 55 | G | 88.2 | Confident | 88.5 | Confident | 70 Ų | 70 | 72.9 Ų | 72.9 | 72% | 0.722 | 39% | 0.389 | S | S | * | . | S | Bend | trans | 81.1 | 7.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | G52 E53 | G52-G55 PolarHBondContact O-N 2.93Å; E53-G55 PolarHBondContact O-N 3.41Å; E53-G55 VanDerWaalsContact O-N 3.17Å |
| 56 | Y | 89.4 | Confident | 87.9 | Confident | 153 Ų | 153 | 76 Ų | 76 | 60% | 0.6 | 39% | 0.394 | S | S | * | . | trans | -109.9 | 142.5 | 178.9 | -68.5 | -79.9 | 0 | 0 | 0 | 111.3 | H32 G52 D54 | H32-Y56 PolarHBondContact CE1-O 3.31Å; G52-Y56 PolarHBondContact N-O 2.8Å; D54-Y56 VanDerWaalsContact C-N 3.27Å; D54-Y56 HydrophobicContact CB-CD2 4.36Å; D54-Y56 VanDerWaalsContact O-CD2 3.26Å; D54-Y56 WeakPolarHBondContact O-CD2 3.05Å; D54-Y56 PolarHBondContact O-N 3.46Å; D54-Y56 PolarHBondContact OD1-N 3.39Å | ||
| 57 | I | 92.1 | Very high | 87.2 | Confident | 131 Ų | 131 | 77.8 Ų | 77.8 | 67% | 0.672 | 40% | 0.401 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 128.8 | 164.2 | -60.5 | 169 | 0 | 0 | 0 | 106.6 | A49 T50 | A49-I57 HydrophobicContact CB-CG2 4.49Å; T50-I57 CarbonylContact O-C 3.54Å; T50-I57 VanDerWaalsContact O-CA 3.3Å; T50-I57 WeakPolarHBondContact O-CA 3.36Å |
| 58 | R | 90.5 | Very high | 86.1 | Confident | 64 Ų | 64 | 78.1 Ų | 78.1 | 24% | 0.242 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 134.9 | 173.7 | -64.8 | -179.3 | 171.9 | 72 | 3.8 | 108.7 | G31 H32 A49 T50 D54 Q60 | G31-R58 PolarHBondContact O-NH2 3.19Å; H32-R58 PolarHBondContact CE1-NH1 2.92Å; H32-R58 PolarHBondContact ND1-NH1 3.33Å; A49-R58 CarbonylContact C-O 3.53Å; A49-R58 WeakPolarHBondContact CA-O 2.83Å; T50-R58 PolarHBondContact N-O 3.5Å; T50-R58 PolarHBondContact O-N 3.11Å; T50-R58 PolarHBondContact OG1-O 2.78Å; D54-R58 IonicContact OD1-NH1 3.78Å; D54-R58 IonicContact OD2-CZ 3.59Å; D54-R58 IonicContact OD2-NH1 2.78Å; D54-R58 PolarHBondContact OD2-NH1 3.17Å; D54-R58 IonicContact OD2-NH2 3.5Å; D54-R58 PolarHBondContact OD2-NH2 3.49Å; R58-Q60 PolarHBondContact O-OE1 3.02Å |
| 59 | I | 92.8 | Very high | 85 | Confident | 111 Ų | 111 | 83.9 Ų | 83.9 | 57% | 0.569 | 44% | 0.441 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 129.3 | 175.3 | -58.5 | 175.5 | 0 | 0 | 0 | 106.3 | I47 I48 | I47-I59 HydrophobicContact CB-CG2 4.32Å; I47-I59 HydrophobicContact CD1-CG2 4.2Å; I48-I59 WeakPolarHBondContact O-CA 3.43Å |
| 60 | Q | 90.6 | Very high | 83.7 | Confident | 32 Ų | 32 | 87.5 Ų | 87.5 | 15% | 0.15 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 128.3 | 173.6 | -75 | 87.8 | 10.8 | 0 | 0 | 109.6 | F29 I47 I48 T50 R58 | F29-Q60 HydrophobicContact CB-CG 4.39Å; F29-Q60 HydrophobicContact CD1-CB 3.88Å; F29-Q60 HydrophobicContact CD1-CG 3.47Å; F29-Q60 VanDerWaalsContact CD1-CG 3.47Å; F29-Q60 HydrophobicContact CD2-CG 4.44Å; F29-Q60 HydrophobicContact CE1-CB 3.55Å; F29-Q60 HydrophobicContact CE1-CG 3.71Å; F29-Q60 HydrophobicContact CE2-CB 4.32Å; F29-Q60 HydrophobicContact CG-CB 4.37Å; F29-Q60 HydrophobicContact CG-CG 3.85Å; F29-Q60 HydrophobicContact CZ-CB 3.78Å; F29-Q60 HydrophobicContact CZ-CG 4.29Å; I47-Q60 CarbonylContact C-O 3.57Å; I47-Q60 WeakPolarHBondContact CA-O 3.42Å; I47-Q60 WeakPolarHBondContact CB-O 3.24Å; I48-Q60 HydrophobicContact CG2-CB 3.84Å; I48-Q60 PolarHBondContact N-O 3.32Å; I48-Q60 PolarHBondContact O-N 3.48Å; T50-Q60 PolarHBondContact OG1-OE1 3.27Å; R58-Q60 PolarHBondContact O-OE1 3.02Å |
| 61 | E | 88.9 | Confident | 82.4 | Confident | 152 Ų | 152 | 94.4 Ų | 94.4 | 71% | 0.71 | 49% | 0.487 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94 | 141.4 | 172.7 | -47.9 | -167.6 | 162.5 | 0 | 0 | 108.3 | I47 | I47-E61 HydrophobicContact CG2-CB 4.09Å; I47-E61 HydrophobicContact CG2-CG 3.71Å |
| 62 | F | 85.7 | Confident | 81.1 | Confident | 22 Ų | 22 | 100.3 Ų | 100.3 | 10% | 0.096 | 52% | 0.517 | C | S | . | . | P | Polyproline II helix | trans | -87.5 | 142.5 | 175.3 | -64.3 | -76.7 | 0 | 0 | 0 | 110.6 | I17 F26 A27 F29 W41 G45 T46 I48 Y66 | I17-F62 HydrophobicContact CD1-CE1 3.54Å; I17-F62 HydrophobicContact CD1-CZ 3.49Å; I17-F62 VanDerWaalsContact CD1-CZ 3.49Å; F26-F62 HydrophobicContact CE2-CE1 4.3Å; A27-F62 HydrophobicContact CB-CE1 4.35Å; F29-F62 AromaticContact CZ-CE1 3.79Å; F29-F62 HydrophobicContact CZ-CE1 3.79Å; F29-F62 HydrophobicContact CZ-CZ 4.03Å; W41-F62 AromaticContact CE3-CE2 3.78Å; W41-F62 HydrophobicContact CE3-CE2 3.78Å; W41-F62 HydrophobicContact CE3-CZ 4.15Å; W41-F62 HydrophobicContact CH2-CE1 4.19Å; W41-F62 AromaticContact CH2-CE2 3.81Å; W41-F62 HydrophobicContact CH2-CE2 3.81Å; W41-F62 AromaticContact CH2-CZ 3.34Å; W41-F62 HydrophobicContact CH2-CZ 3.34Å; W41-F62 HydrophobicContact CZ2-CZ 4.4Å; W41-F62 HydrophobicContact CZ3-CD2 4.12Å; W41-F62 HydrophobicContact CZ3-CE1 4.26Å; W41-F62 AromaticContact CZ3-CE2 3.11Å; W41-F62 HydrophobicContact CZ3-CE2 3.11Å; W41-F62 AromaticContact CZ3-CZ 3.19Å; W41-F62 HydrophobicContact CZ3-CZ 3.19Å; G45-F62 WeakPolarHBondContact O-CD2 3.31Å; T46-F62 WeakPolarHBondContact O-CD2 3.45Å; T46-F62 PolarHBondContact O-N 3.18Å; I48-F62 HydrophobicContact CB-CE2 4.04Å; I48-F62 HydrophobicContact CB-CZ 4.08Å; I48-F62 HydrophobicContact CG2-CE2 3.95Å; I48-F62 HydrophobicContact CG2-CZ 3.69Å; F62-Y66 HydrophobicContact CB-CD1 3.41Å; F62-Y66 VanDerWaalsContact CB-CD1 3.41Å; F62-Y66 HydrophobicContact CB-CE1 4.12Å; F62-Y66 HydrophobicContact CB-CG 4.02Å; F62-Y66 AromaticContact CD1-CD1 3.93Å; F62-Y66 HydrophobicContact CD1-CD1 3.93Å; F62-Y66 HydrophobicContact CD1-CE1 4.18Å; F62-Y66 HydrophobicContact CD1-CG 4.17Å; F62-Y66 HydrophobicContact CD2-CD1 4.16Å; F62-Y66 HydrophobicContact CD2-CE1 4Å; F62-Y66 AromaticContact CG-CD1 3.56Å; F62-Y66 HydrophobicContact CG-CD1 3.56Å; F62-Y66 AromaticContact CG-CE1 3.82Å; F62-Y66 HydrophobicContact CG-CE1 3.82Å; F62-Y66 HydrophobicContact CG-CG 4.21Å |
| 63 | D | 83.6 | Confident | 79.4 | Confident | 127 Ų | 127 | 112 Ų | 112 | 68% | 0.679 | 56% | 0.564 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 158.4 | 176.1 | -62.8 | -54.1 | 0 | 0 | 0 | 111.6 | D65 Y66 L67 | D63-D65 PolarHBondContact O-N 2.73Å; D63-D65 VanDerWaalsContact O-N 3.14Å; D63-Y66 WeakPolarHBondContact O-CB 3.35Å; D63-Y66 PolarHBondContact O-N 3.45Å; D63-L67 PolarHBondContact O-N 2.98Å |
| 64 | E | 76 | Confident | 78.9 | Confident | 168 Ų | 168 | 110.6 Ų | 110.6 | 79% | 0.785 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -56.8 | -30 | 178.3 | -68.6 | -175.9 | 173.2 | 0 | 0 | 112.4 | Y66 L67 G68 | E64-Y66 VanDerWaalsContact C-N 3.26Å; E64-Y66 PolarHBondContact O-N 3.41Å; E64-L67 PolarHBondContact O-N 2.97Å; E64-L67 VanDerWaalsContact O-N 3.15Å; E64-G68 PolarHBondContact O-N 2.89Å |
| 65 | D | 75.1 | Confident | 78.5 | Confident | 148 Ų | 148 | 114.6 Ų | 114.6 | 79% | 0.791 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -60.8 | -33.5 | 176 | -67.9 | -19.4 | 0 | 0 | 0 | 112.7 | D63 | D63-D65 PolarHBondContact O-N 2.73Å; D63-D65 VanDerWaalsContact O-N 3.14Å |
| 66 | Y | 72.4 | Confident | 78 | Confident | 89 Ų | 89 | 117.1 Ų | 117.1 | 35% | 0.349 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -74.9 | -42.5 | 173.5 | 170.9 | -102.7 | 0 | 0 | 0 | 111.5 | F26 F62 D63 E64 G68 F69 | F26-Y66 AromaticContact CD2-CD2 3.81Å; F26-Y66 HydrophobicContact CD2-CD2 3.81Å; F26-Y66 HydrophobicContact CD2-CE2 4.01Å; F26-Y66 HydrophobicContact CE1-CE2 4.39Å; F26-Y66 AromaticContact CE2-CD2 3.39Å; F26-Y66 HydrophobicContact CE2-CD2 3.39Å; F26-Y66 AromaticContact CE2-CE2 3.19Å; F26-Y66 HydrophobicContact CE2-CE2 3.19Å; F26-Y66 HydrophobicContact CE2-CG 4.39Å; F26-Y66 HydrophobicContact CZ-CD2 4.08Å; F26-Y66 AromaticContact CZ-CE2 3.41Å; F26-Y66 HydrophobicContact CZ-CE2 3.41Å; F26-Y66 VanDerWaalsContact CZ-CE2 3.41Å; F62-Y66 HydrophobicContact CB-CD1 3.41Å; F62-Y66 VanDerWaalsContact CB-CD1 3.41Å; F62-Y66 HydrophobicContact CB-CE1 4.12Å; F62-Y66 HydrophobicContact CB-CG 4.02Å; F62-Y66 AromaticContact CD1-CD1 3.93Å; F62-Y66 HydrophobicContact CD1-CD1 3.93Å; F62-Y66 HydrophobicContact CD1-CE1 4.18Å; F62-Y66 HydrophobicContact CD1-CG 4.17Å; F62-Y66 HydrophobicContact CD2-CD1 4.16Å; F62-Y66 HydrophobicContact CD2-CE1 4Å; F62-Y66 AromaticContact CG-CD1 3.56Å; F62-Y66 HydrophobicContact CG-CD1 3.56Å; F62-Y66 AromaticContact CG-CE1 3.82Å; F62-Y66 HydrophobicContact CG-CE1 3.82Å; F62-Y66 HydrophobicContact CG-CG 4.21Å; D63-Y66 WeakPolarHBondContact O-CB 3.35Å; D63-Y66 PolarHBondContact O-N 3.45Å; E64-Y66 VanDerWaalsContact C-N 3.26Å; E64-Y66 PolarHBondContact O-N 3.41Å; Y66-G68 VanDerWaalsContact C-N 3.3Å; Y66-G68 PolarHBondContact O-N 3.23Å; Y66-F69 PolarHBondContact O-N 3.08Å |
| 67 | L | 73.5 | Confident | 77.3 | Confident | 89 Ų | 89 | 115 Ų | 115 | 47% | 0.466 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -70.2 | -29.1 | -177.3 | -62 | 175.2 | 0 | 0 | 0 | 112.7 | T46 D63 E64 | T46-L67 HydrophobicContact CG2-CD1 4.17Å; T46-L67 HydrophobicContact CG2-CD2 4.06Å; D63-L67 PolarHBondContact O-N 2.98Å; E64-L67 PolarHBondContact O-N 2.97Å; E64-L67 VanDerWaalsContact O-N 3.15Å |
| 68 | G | 68.7 | Low | 76.4 | Confident | 53 Ų | 53 | 114 Ų | 114 | 55% | 0.546 | 56% | 0.563 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.3 | -2.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | E64 Y66 T70 | E64-G68 PolarHBondContact O-N 2.89Å; Y66-G68 VanDerWaalsContact C-N 3.3Å; Y66-G68 PolarHBondContact O-N 3.23Å; G68-T70 PolarHBondContact O-N 3.38Å; G68-T70 PolarHBondContact O-OG1 3.49Å |
| 69 | F | 69.9 | Low | 75.4 | Confident | 122 Ų | 122 | 117.3 Ų | 117.3 | 54% | 0.535 | 59% | 0.585 | S | S | . | * | trans | -64 | 102.8 | -178.3 | -175.5 | -98.7 | 0 | 0 | 0 | 110.7 | F22 Y66 Y71 | F22-F69 HydrophobicContact CE2-CZ 4.44Å; Y66-F69 PolarHBondContact O-N 3.08Å; F69-Y71 HydrophobicContact CE1-CD2 4.38Å; F69-Y71 AromaticContact CZ-CD2 3.99Å; F69-Y71 HydrophobicContact CZ-CD2 3.99Å | ||
| 70 | T | 65.9 | Low | 74.2 | Confident | 110 Ų | 110 | 117.8 Ų | 117.8 | 68% | 0.675 | 59% | 0.586 | S | S | * | * | trans | -109 | 115.3 | 173.8 | -48 | 0 | 0 | 0 | 0 | 107 | G68 D72 | G68-T70 PolarHBondContact O-N 3.38Å; G68-T70 PolarHBondContact O-OG1 3.49Å; T70-D72 PolarHBondContact O-N 2.88Å | ||
| 71 | Y | 66.6 | Low | 72.9 | Confident | 145 Ų | 145 | 124.4 Ų | 124.4 | 57% | 0.569 | 62% | 0.619 | S | S | * | * | trans | -85 | 104.3 | 173.7 | -166.9 | -101.6 | 0 | 0 | 0 | 108.6 | F22 F69 | F22-Y71 HydrophobicContact CE1-CE2 4.3Å; F22-Y71 HydrophobicContact CE2-CD2 4.25Å; F22-Y71 HydrophobicContact CE2-CE2 4.13Å; F22-Y71 AromaticContact CZ-CD2 3.93Å; F22-Y71 HydrophobicContact CZ-CD2 3.93Å; F22-Y71 AromaticContact CZ-CE2 3.43Å; F22-Y71 HydrophobicContact CZ-CE2 3.43Å; F22-Y71 VanDerWaalsContact CZ-CE2 3.43Å; F22-Y71 AromaticContact CZ-CZ 3.76Å; F69-Y71 HydrophobicContact CE1-CD2 4.38Å; F69-Y71 AromaticContact CZ-CD2 3.99Å; F69-Y71 HydrophobicContact CZ-CD2 3.99Å | ||
| 72 | D | 65 | Low | 71.6 | Confident | 134 Ų | 134 | 122.1 Ų | 122.1 | 72% | 0.717 | 61% | 0.612 | S | S | * | * | trans | -74.3 | 128.4 | 170.9 | -72.1 | -34.8 | 0 | 0 | 0 | 109.3 | T70 | T70-D72 PolarHBondContact O-N 2.88Š| ||
| 73 | F | 56.8 | Low | 70.3 | Confident | 258 Ų | 258 | 131.2 Ų | 131.2 | 100% | 1.132 | 66% | 0.659 | S | S | * | * | trans | -85.6 | 0 | 179.3 | 34.3 | -103.2 | 0 | 0 | 0 | 113.1 |
Retrieved 73 of 73 residues in 79.9 ms
(Link to these results)