| 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 | 42.1 | Very low | 65.6 | Low | 234 Ų | 234 | 120.1 Ų | 120.1 | 100% | 1.153 | 63% | 0.633 | S | S | * | * | 0 | 94 | 0 | -71.2 | 175.3 | 171.5 | 0 | 0 | 108.8 | R3 | M1-R3 VanDerWaalsContact C-N 3.3Å; M1-R3 PolarHBondContact O-N 3.23Å | |||
| 2 | S | 46.7 | Very low | 68.2 | Low | 119 Ų | 119 | 119.9 Ų | 119.9 | 83% | 0.832 | 62% | 0.619 | S | S | * | * | trans | -69 | 98 | 161.5 | 43.6 | 0 | 0 | 0 | 0 | 106.3 | Y4 | S2-Y4 PolarHBondContact O-N 3.32Å; S2-Y4 VanDerWaalsContact O-N 3.07Å | ||
| 3 | R | 51.2 | Low | 70.5 | Confident | 231 Ų | 231 | 112.9 Ų | 112.9 | 87% | 0.872 | 58% | 0.583 | S | S | * | * | trans | -56.9 | 117.2 | 166.4 | -64.6 | -178.7 | -139 | -154.6 | 3.1 | 104.8 | M1 G5 | M1-R3 VanDerWaalsContact C-N 3.3Å; M1-R3 PolarHBondContact O-N 3.23Å; R3-G5 PolarHBondContact O-N 2.72Å | ||
| 4 | Y | 53.1 | Low | 72.4 | Confident | 233 Ų | 233 | 117.6 Ų | 117.6 | 91% | 0.914 | 59% | 0.589 | S | S | * | * | trans | -44.6 | 110 | 171.9 | -111.3 | -103.5 | 0 | 0 | 0 | 106.9 | S2 | S2-Y4 PolarHBondContact O-N 3.32Å; S2-Y4 VanDerWaalsContact O-N 3.07Å | ||
| 5 | G | 56.4 | Low | 74.1 | Confident | 56 Ų | 56 | 120.3 Ų | 120.3 | 58% | 0.577 | 61% | 0.606 | S | S | * | * | trans | -58.1 | 150 | 174.1 | 0 | 0 | 0 | 0 | 0 | 107.8 | R3 P7 | R3-G5 PolarHBondContact O-N 2.72Å; G5-P7 WeakPolarHBondContact O-CD 2.98Å | ||
| 6 | I | 59 | Low | 75.5 | Confident | 101 Ų | 101 | 114.5 Ų | 114.5 | 52% | 0.518 | 58% | 0.577 | S | S | . | * | trans | -49.1 | 118.5 | 172.5 | -58.8 | 162.7 | 0 | 0 | 0 | 106.9 | N8 S59 | I6-N8 PolarHBondContact O-N 2.96Å; I6-N8 PolarHBondContact O-OD1 3.49Å; I6-S59 WeakPolarHBondContact CG2-OG 3.46Å | ||
| 7 | P | 64.3 | Low | 76.8 | Confident | 71 Ų | 71 | 112.6 Ų | 112.6 | 46% | 0.461 | 58% | 0.575 | S | S | . | * | trans | -65 | 111.6 | 179.5 | 23.5 | -29.5 | 0 | 0 | 0 | 107.2 | G5 S59 F63 | G5-P7 WeakPolarHBondContact O-CD 2.98Å; P7-S59 WeakPolarHBondContact O-CB 3.3Å; P7-F63 HydrophobicContact CG-CD2 4.41Å; P7-F63 HydrophobicContact CG-CE2 3.65Å | ||
| 8 | N | 72.3 | Confident | 77.8 | Confident | 66 Ų | 66 | 112.1 Ų | 112.1 | 35% | 0.353 | 57% | 0.571 | S | S | . | * | trans | -70.3 | 142.6 | 173.9 | -57.4 | -40.9 | 0 | 0 | 0 | 108.7 | I6 S10 R36 E56 | I6-N8 PolarHBondContact O-N 2.96Å; I6-N8 PolarHBondContact O-OD1 3.49Å; N8-S10 PolarHBondContact O-N 3.03Å; N8-R36 PolarHBondContact ND2-NH2 3.47Å; N8-R36 PolarHBondContact OD1-NH1 2.89Å; N8-R36 PolarHBondContact OD1-NH2 3.28Å; N8-E56 HydrophobicContact CB-CG 4.02Å; N8-E56 WeakPolarHBondContact CB-OE2 3.36Å; N8-E56 PolarHBondContact ND2-OE2 3Å; N8-E56 VanDerWaalsContact ND2-OE2 3.13Å | ||
| 9 | T | 88.2 | Confident | 78.8 | Confident | 74 Ų | 74 | 114 Ų | 114 | 45% | 0.454 | 58% | 0.578 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -85.5 | 97.2 | 172.3 | -57.3 | 0 | 0 | 0 | 0 | 108.1 | Y57 | T9-Y57 PolarHBondContact O-N 3.39Å |
| 10 | S | 92.5 | Very high | 79.7 | Confident | 67 Ų | 67 | 109.3 Ų | 109.3 | 47% | 0.469 | 56% | 0.555 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -108.1 | 128.4 | 179.5 | -50.8 | 0 | 0 | 0 | 0 | 111.3 | N8 I55 | N8-S10 PolarHBondContact O-N 3.03Å; S10-I55 CarbonylContact C-O 3.49Å; S10-I55 VanDerWaalsContact CA-O 3.3Å; S10-I55 WeakPolarHBondContact CA-O 3.48Å |
| 11 | L | 95.7 | Very high | 80.5 | Confident | 69 Ų | 69 | 111 Ų | 111 | 36% | 0.361 | 56% | 0.555 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -90.7 | 141.5 | 169.5 | -56.1 | -177.8 | 0 | 0 | 0 | 110.1 | F29 Y54 I55 Y57 | L11-F29 HydrophobicContact CD1-CD1 4.07Å; L11-F29 HydrophobicContact CD1-CE1 3.95Å; L11-Y54 VanDerWaalsContact O-CA 3.23Å; L11-Y54 WeakPolarHBondContact O-CA 2.93Å; L11-I55 HydrophobicContact CB-CB 4.28Å; L11-I55 PolarHBondContact N-O 2.83Å; L11-I55 PolarHBondContact O-N 3.4Å; L11-Y57 HydrophobicContact CD1-CE2 3.68Å; L11-Y57 HydrophobicContact CG-CD2 4.46Å; L11-Y57 HydrophobicContact CG-CE2 4.05Å |
| 12 | Y | 97.3 | Very high | 83.2 | Confident | 118 Ų | 118 | 103.7 Ų | 103.7 | 46% | 0.463 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 117.9 | 171.9 | 174 | -134.6 | 0 | 0 | 0 | 110 | R14 F52 Y54 | Y12-R14 HydrophobicContact CD1-CG 4Å; Y12-R14 HydrophobicContact CD2-CG 4.47Å; Y12-R14 HydrophobicContact CE1-CG 3.41Å; Y12-R14 VanDerWaalsContact CE1-CG 3.41Å; Y12-R14 HydrophobicContact CE2-CG 3.9Å; Y12-R14 PolarHBondContact OH-NE 2.64Å; Y12-F52 HydrophobicContact CD2-CD2 4.16Å; Y12-F52 HydrophobicContact CE2-CB 3.78Å; Y12-F52 AromaticContact CE2-CD2 3.47Å; Y12-F52 HydrophobicContact CE2-CD2 3.47Å; Y12-F52 VanDerWaalsContact CE2-CD2 3.47Å; Y12-F52 HydrophobicContact CE2-CE2 4.12Å; Y12-F52 AromaticContact CE2-CG 3.79Å; Y12-F52 HydrophobicContact CE2-CG 3.79Å; Y12-Y54 HydrophobicContact CD2-CD1 4.17Å; Y12-Y54 AromaticContact CD2-CE1 3.65Å; Y12-Y54 HydrophobicContact CD2-CE1 3.65Å; Y12-Y54 AromaticContact CD2-CZ 3.98Å; Y12-Y54 HydrophobicContact CE2-CE1 4.45Å; Y12-Y54 HydrophobicContact CG-CE1 4.1Å |
| 13 | I | 97.8 | Very high | 85.6 | Confident | 29 Ų | 29 | 104 Ų | 104 | 15% | 0.149 | 51% | 0.506 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 121.3 | -175 | -52.1 | 169.9 | 0 | 0 | 0 | 108.6 | L16 F29 F52 A53 I55 | I13-L16 HydrophobicContact CB-CD1 4.5Å; I13-L16 HydrophobicContact CG2-CD1 4.21Å; I13-L16 HydrophobicContact CG2-CD2 3.8Å; I13-L16 HydrophobicContact CG2-CG 4.05Å; I13-F29 HydrophobicContact CD1-CD2 4.07Å; I13-F29 HydrophobicContact CD1-CE1 4.08Å; I13-F29 HydrophobicContact CD1-CE2 3.26Å; I13-F29 HydrophobicContact CD1-CZ 3.26Å; I13-F29 HydrophobicContact CG1-CE2 4.45Å; I13-F29 HydrophobicContact CG1-CZ 4.06Å; I13-F52 CarbonylContact O-C 3.49Å; I13-F52 WeakPolarHBondContact O-CA 3.42Å; I13-F52 WeakPolarHBondContact O-CB 3.41Å; I13-A53 PolarHBondContact N-O 2.88Å; I13-A53 PolarHBondContact O-N 3.33Å; I13-I55 HydrophobicContact CD1-CB 4.49Å; I13-I55 HydrophobicContact CD1-CD1 4.07Å; I13-I55 HydrophobicContact CD1-CG1 3.29Å; I13-I55 HydrophobicContact CG1-CG1 4.34Å |
| 14 | R | 97.3 | Very high | 87.8 | Confident | 179 Ų | 179 | 96.3 Ų | 96.3 | 68% | 0.675 | 48% | 0.48 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 167.3 | -178 | -61.2 | -176.4 | 77.3 | -172.5 | -3.3 | 111.6 | Y12 L16 | Y12-R14 HydrophobicContact CD1-CG 4Å; Y12-R14 HydrophobicContact CD2-CG 4.47Å; Y12-R14 HydrophobicContact CE1-CG 3.41Å; Y12-R14 VanDerWaalsContact CE1-CG 3.41Å; Y12-R14 HydrophobicContact CE2-CG 3.9Å; Y12-R14 PolarHBondContact OH-NE 2.64Å; R14-L16 VanDerWaalsContact C-N 3.31Å; R14-L16 PolarHBondContact O-N 2.79Å |
| 15 | N | 97.1 | Very high | 90 | Very high | 158 Ų | 158 | 85.4 Ų | 85.4 | 85% | 0.845 | 44% | 0.437 | S | S | * | . | S | Bend | trans | 62 | 38.9 | 173.5 | -163.8 | 40.1 | 0 | 0 | 0 | 112.7 | G51 | N15-G51 PolarHBondContact N-O 2.93Š|
| 16 | L | 97.4 | Very high | 92 | Very high | 27 Ų | 27 | 86.3 Ų | 86.3 | 14% | 0.141 | 42% | 0.423 | C | S | . | . | trans | -80.1 | 138.6 | 175.6 | -69 | 178.2 | 0 | 0 | 0 | 110.5 | I13 R14 T20 L25 G51 A53 | I13-L16 HydrophobicContact CB-CD1 4.5Å; I13-L16 HydrophobicContact CG2-CD1 4.21Å; I13-L16 HydrophobicContact CG2-CD2 3.8Å; I13-L16 HydrophobicContact CG2-CG 4.05Å; R14-L16 VanDerWaalsContact C-N 3.31Å; R14-L16 PolarHBondContact O-N 2.79Å; L16-T20 HydrophobicContact CD1-CG2 4.26Å; L16-T20 HydrophobicContact CD2-CG2 4.33Å; L16-L25 HydrophobicContact CD1-CD1 4.02Å; L16-L25 HydrophobicContact CD1-CD2 4.23Å; L16-L25 HydrophobicContact CD2-CD2 4.15Å; L16-G51 PolarHBondContact N-O 3.27Å; L16-A53 HydrophobicContact CD1-CB 3.54Å | ||
| 17 | P | 97.4 | Very high | 93.8 | Very high | 83 Ų | 83 | 84 Ų | 84 | 54% | 0.539 | 43% | 0.425 | S | S | . | . | trans | -51.9 | 145.7 | 166.5 | -25.9 | 33.3 | 0 | 0 | 0 | 111.7 | Q19 T20 | P17-Q19 PolarHBondContact O-N 3.45Å; P17-Q19 VanDerWaalsContact O-N 3.1Å; P17-T20 VanDerWaalsContact CD-OG1 3.32Å; P17-T20 WeakPolarHBondContact CD-OG1 3.33Å; P17-T20 VanDerWaalsContact O-CB 3.3Å; P17-T20 WeakPolarHBondContact O-CB 3.46Å; P17-T20 PolarHBondContact O-N 3.09Å; P17-T20 PolarHBondContact O-OG1 2.85Å | ||
| 18 | M | 95.4 | Very high | 95.4 | Very high | 102 Ų | 102 | 86.4 Ų | 86.4 | 50% | 0.502 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -14.9 | -179 | -62.7 | -63.3 | 146.9 | 0 | 0 | 113.3 | P49 | M18-P49 WeakPolarHBondContact O-CG 3.27Å; M18-P49 HydrophobicContact SD-CB 4.36Å |
| 19 | Q | 95.9 | Very high | 96.6 | Very high | 149 Ų | 149 | 85 Ų | 85 | 70% | 0.696 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.1 | -2.2 | 176.5 | -59 | 74.5 | 29.9 | 0 | 0 | 112.9 | P17 R21 | P17-Q19 PolarHBondContact O-N 3.45Å; P17-Q19 VanDerWaalsContact O-N 3.1Å; Q19-R21 WeakPolarHBondContact O-CG 3.43Å; Q19-R21 PolarHBondContact O-N 3.07Å |
| 20 | T | 97.5 | Very high | 97 | Very high | 20 Ų | 20 | 84.3 Ų | 84.3 | 12% | 0.123 | 42% | 0.42 | C | S | . | . | trans | -58.3 | 129.8 | -178.9 | -54 | 0 | 0 | 0 | 0 | 110.2 | L16 P17 L25 | L16-T20 HydrophobicContact CD1-CG2 4.26Å; L16-T20 HydrophobicContact CD2-CG2 4.33Å; P17-T20 VanDerWaalsContact CD-OG1 3.32Å; P17-T20 WeakPolarHBondContact CD-OG1 3.33Å; P17-T20 VanDerWaalsContact O-CB 3.3Å; P17-T20 WeakPolarHBondContact O-CB 3.46Å; P17-T20 PolarHBondContact O-N 3.09Å; P17-T20 PolarHBondContact O-OG1 2.85Å; T20-L25 HydrophobicContact CG2-CD1 4.05Å; T20-L25 HydrophobicContact CG2-CD2 3.85Å; T20-L25 HydrophobicContact CG2-CG 3.73Å | ||
| 21 | R | 96.6 | Very high | 97.2 | Very high | 146 Ų | 146 | 88.4 Ų | 88.4 | 55% | 0.551 | 43% | 0.429 | S | S | * | . | trans | -109.4 | 160.6 | -179.5 | -59.5 | 179.3 | -68.5 | 160.4 | 5 | 112.4 | Q19 E23 E24 L25 | Q19-R21 WeakPolarHBondContact O-CG 3.43Å; Q19-R21 PolarHBondContact O-N 3.07Å; R21-E23 VanDerWaalsContact C-N 3.27Å; R21-E23 WeakPolarHBondContact CB-OE2 3.04Å; R21-E23 PolarHBondContact O-N 3.07Å; R21-E24 IonicContact CZ-OE1 3.36Å; R21-E24 PolarHBondContact N-OE2 2.93Å; R21-E24 IonicContact NE-OE1 2.93Å; R21-E24 PolarHBondContact NE-OE1 3.22Å; R21-E24 IonicContact NH2-OE1 2.6Å; R21-E24 PolarHBondContact NH2-OE1 3.02Å; R21-E24 PolarHBondContact O-N 2.6Å; R21-L25 PolarHBondContact O-N 2.97Å | ||
| 22 | E | 97.5 | Very high | 97.2 | Very high | 80 Ų | 80 | 92.4 Ų | 92.4 | 37% | 0.374 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -57.2 | -43 | 179 | -162.9 | -163.6 | 135.3 | 0 | 0 | 111.4 | E24 L25 R26 V38 | E22-E24 VanDerWaalsContact C-N 3.3Å; E22-E24 PolarHBondContact O-N 3.2Å; E22-L25 PolarHBondContact O-N 3.2Å; E22-R26 WeakPolarHBondContact O-CB 3.4Å; E22-R26 PolarHBondContact O-N 3.35Å; E22-R26 IonicContact OE1-NE 3.62Å; E22-R26 IonicContact OE1-NH2 3.6Å; E22-V38 HydrophobicContact CB-CG1 4.39Å; E22-V38 HydrophobicContact CG-CB 3.48Å; E22-V38 VanDerWaalsContact CG-CB 3.48Å; E22-V38 HydrophobicContact CG-CG1 3.51Å; E22-V38 HydrophobicContact CG-CG2 4.27Å |
| 23 | E | 97.9 | Very high | 97 | Very high | 125 Ų | 125 | 88.4 Ų | 88.4 | 58% | 0.584 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -65.6 | -34.6 | -176.4 | -57.8 | 78.7 | -171.2 | 0 | 0 | 112.1 | R21 G27 | R21-E23 VanDerWaalsContact C-N 3.27Å; R21-E23 WeakPolarHBondContact CB-OE2 3.04Å; R21-E23 PolarHBondContact O-N 3.07Å; E23-G27 PolarHBondContact O-N 3.34Å |
| 24 | E | 97.9 | Very high | 96.8 | Very high | 69 Ų | 69 | 93.5 Ų | 93.5 | 32% | 0.322 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -66.6 | -48.2 | 176.6 | -70.7 | 162.9 | -164.1 | 0 | 0 | 110.4 | R21 E22 G27 M28 | R21-E24 IonicContact CZ-OE1 3.36Å; R21-E24 PolarHBondContact N-OE2 2.93Å; R21-E24 IonicContact NE-OE1 2.93Å; R21-E24 PolarHBondContact NE-OE1 3.22Å; R21-E24 IonicContact NH2-OE1 2.6Å; R21-E24 PolarHBondContact NH2-OE1 3.02Å; R21-E24 PolarHBondContact O-N 2.6Å; E22-E24 VanDerWaalsContact C-N 3.3Å; E22-E24 PolarHBondContact O-N 3.2Å; E24-G27 PolarHBondContact O-N 2.77Å; E24-M28 WeakPolarHBondContact O-CB 3.35Å; E24-M28 WeakPolarHBondContact O-CG 3.46Å; E24-M28 PolarHBondContact O-N 2.84Å |
| 25 | L | 98.2 | Very high | 96.7 | Very high | 4 Ų | 4 | 85 Ų | 85 | 2% | 0.021 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -64.1 | -47.1 | 176.3 | -65.6 | 179.1 | 0 | 0 | 0 | 111.1 | L16 T20 R21 E22 G27 M28 F29 V38 I40 A53 I55 | L16-L25 HydrophobicContact CD1-CD1 4.02Å; L16-L25 HydrophobicContact CD1-CD2 4.23Å; L16-L25 HydrophobicContact CD2-CD2 4.15Å; T20-L25 HydrophobicContact CG2-CD1 4.05Å; T20-L25 HydrophobicContact CG2-CD2 3.85Å; T20-L25 HydrophobicContact CG2-CG 3.73Å; R21-L25 PolarHBondContact O-N 2.97Å; E22-L25 PolarHBondContact O-N 3.2Å; L25-G27 VanDerWaalsContact C-N 3.33Å; L25-G27 PolarHBondContact O-N 3.33Å; L25-M28 PolarHBondContact O-N 2.6Å; L25-F29 HydrophobicContact CD2-CE2 4.26Å; L25-F29 WeakPolarHBondContact O-CB 3.38Å; L25-F29 VanDerWaalsContact O-CD2 3.28Å; L25-F29 WeakPolarHBondContact O-CD2 3.37Å; L25-F29 PolarHBondContact O-N 2.89Å; L25-V38 HydrophobicContact CB-CG1 3.98Å; L25-V38 HydrophobicContact CD1-CG1 3.93Å; L25-I40 HydrophobicContact CD1-CD1 3.88Å; L25-I40 HydrophobicContact CD1-CG1 3.98Å; L25-A53 HydrophobicContact CD1-CB 3.49Å; L25-A53 VanDerWaalsContact CD1-CB 3.49Å; L25-I55 HydrophobicContact CB-CD1 3.96Å; L25-I55 HydrophobicContact CD1-CD1 4.33Å |
| 26 | R | 98.1 | Very high | 96.6 | Very high | 76 Ų | 76 | 82.3 Ų | 82.3 | 29% | 0.287 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -57.5 | -47.1 | 177.8 | -176.1 | 173.6 | -75.9 | -83.2 | 1.1 | 110.8 | E22 F29 S30 V35 V38 | E22-R26 WeakPolarHBondContact O-CB 3.4Å; E22-R26 PolarHBondContact O-N 3.35Å; E22-R26 IonicContact OE1-NE 3.62Å; E22-R26 IonicContact OE1-NH2 3.6Å; R26-F29 PolarHBondContact O-N 3.13Å; R26-S30 VanDerWaalsContact O-CB 3.27Å; R26-S30 WeakPolarHBondContact O-CB 3.28Å; R26-S30 PolarHBondContact O-N 3.28Å; R26-S30 PolarHBondContact O-OG 2.91Å; R26-V35 PolarHBondContact NH1-O 2.81Å; R26-V38 HydrophobicContact CB-CG2 4.17Å |
| 27 | G | 97.8 | Very high | 96.6 | Very high | 53 Ų | 53 | 84.6 Ų | 84.6 | 55% | 0.546 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -60.9 | -46.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | E23 E24 L25 F29 | E23-G27 PolarHBondContact O-N 3.34Å; E24-G27 PolarHBondContact O-N 2.77Å; L25-G27 VanDerWaalsContact C-N 3.33Å; L25-G27 PolarHBondContact O-N 3.33Å; G27-F29 PolarHBondContact O-N 3.04Å |
| 28 | M | 97.1 | Very high | 96.6 | Very high | 120 Ų | 120 | 81 Ų | 81 | 59% | 0.591 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -64.4 | -38.5 | 179.7 | -74.3 | -175 | -169 | 0 | 0 | 113.3 | E24 L25 K31 | E24-M28 WeakPolarHBondContact O-CB 3.35Å; E24-M28 WeakPolarHBondContact O-CG 3.46Å; E24-M28 PolarHBondContact O-N 2.84Å; L25-M28 PolarHBondContact O-N 2.6Å; M28-K31 WeakPolarHBondContact O-CE 3.21Å; M28-K31 WeakPolarHBondContact O-CG 3.34Å |
| 29 | F | 97.3 | Very high | 96.7 | Very high | 38 Ų | 38 | 82.4 Ų | 82.4 | 17% | 0.167 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -92.1 | -17.1 | -174.4 | -78.3 | -82.9 | 0 | 0 | 0 | 113.5 | L11 I13 L25 R26 G27 K31 Y32 V35 I55 Y57 | L11-F29 HydrophobicContact CD1-CD1 4.07Å; L11-F29 HydrophobicContact CD1-CE1 3.95Å; I13-F29 HydrophobicContact CD1-CD2 4.07Å; I13-F29 HydrophobicContact CD1-CE1 4.08Å; I13-F29 HydrophobicContact CD1-CE2 3.26Å; I13-F29 HydrophobicContact CD1-CZ 3.26Å; I13-F29 HydrophobicContact CG1-CE2 4.45Å; I13-F29 HydrophobicContact CG1-CZ 4.06Å; L25-F29 HydrophobicContact CD2-CE2 4.26Å; L25-F29 WeakPolarHBondContact O-CB 3.38Å; L25-F29 VanDerWaalsContact O-CD2 3.28Å; L25-F29 WeakPolarHBondContact O-CD2 3.37Å; L25-F29 PolarHBondContact O-N 2.89Å; R26-F29 PolarHBondContact O-N 3.13Å; G27-F29 PolarHBondContact O-N 3.04Å; F29-K31 PolarHBondContact O-N 3.22Å; F29-Y32 AromaticContact CD1-CD2 3.99Å; F29-Y32 HydrophobicContact CD1-CD2 3.99Å; F29-Y32 HydrophobicContact CD1-CE2 4.19Å; F29-Y32 PolarHBondContact O-N 3.46Å; F29-V35 HydrophobicContact CB-CG2 4.02Å; F29-I55 HydrophobicContact CB-CG2 4.2Å; F29-I55 HydrophobicContact CD2-CD1 4.35Å; F29-I55 HydrophobicContact CD2-CG1 4.09Å; F29-I55 HydrophobicContact CE2-CG1 4.41Å; F29-I55 HydrophobicContact CG-CG1 4.22Å; F29-I55 HydrophobicContact CG-CG2 4.39Å; F29-Y57 WeakPolarHBondContact CB-OH 3.13Å; F29-Y57 PolarHBondContact O-OH 2.87Å; F29-Y57 VanDerWaalsContact O-OH 3.13Å |
| 30 | S | 97.4 | Very high | 96.8 | Very high | 58 Ų | 58 | 76.9 Ų | 76.9 | 41% | 0.406 | 37% | 0.369 | S | S | . | . | G | 310 helix | trans | -59.1 | -22.4 | 176.7 | -69.2 | 0 | 0 | 0 | 0 | 114 | R26 Y32 G33 | R26-S30 VanDerWaalsContact O-CB 3.27Å; R26-S30 WeakPolarHBondContact O-CB 3.28Å; R26-S30 PolarHBondContact O-N 3.28Å; R26-S30 PolarHBondContact O-OG 2.91Å; S30-Y32 PolarHBondContact O-N 3.49Å; S30-G33 WeakPolarHBondContact CA-O 3.34Å; S30-G33 PolarHBondContact O-N 2.98Å |
| 31 | K | 96.6 | Very high | 96.8 | Very high | 154 Ų | 154 | 76.2 Ų | 76.2 | 67% | 0.67 | 36% | 0.364 | S | S | * | . | G | 310 helix | trans | -64.3 | -17.5 | 173.8 | 69 | -177.9 | 166.6 | 162.2 | 0 | 114.2 | M28 F29 | M28-K31 WeakPolarHBondContact O-CE 3.21Å; M28-K31 WeakPolarHBondContact O-CG 3.34Å; F29-K31 PolarHBondContact O-N 3.22Å |
| 32 | Y | 94.8 | Very high | 96.8 | Very high | 153 Ų | 153 | 72.7 Ų | 72.7 | 60% | 0.6 | 36% | 0.356 | S | S | * | . | G | 310 helix | trans | -98.7 | -1.7 | 178.6 | -57.2 | -66 | 0 | 0 | 0 | 113 | F29 S30 | F29-Y32 AromaticContact CD1-CD2 3.99Å; F29-Y32 HydrophobicContact CD1-CD2 3.99Å; F29-Y32 HydrophobicContact CD1-CE2 4.19Å; F29-Y32 PolarHBondContact O-N 3.46Å; S30-Y32 PolarHBondContact O-N 3.49Å |
| 33 | G | 93.9 | Very high | 96.8 | Very high | 34 Ų | 34 | 71.5 Ų | 71.5 | 35% | 0.351 | 35% | 0.352 | S | S | . | . | S | Bend | trans | 136.7 | -177.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | S30 V35 | S30-G33 WeakPolarHBondContact CA-O 3.34Å; S30-G33 PolarHBondContact O-N 2.98Å; G33-V35 PolarHBondContact O-N 3.39Å |
| 34 | H | 94 | Very high | 96.7 | Very high | 135 Ų | 135 | 74.1 Ų | 74.1 | 63% | 0.625 | 36% | 0.358 | S | S | * | . | trans | -67.2 | 115.5 | 178.7 | 176.6 | -84.9 | 0 | 0 | 0 | 110.9 | R36 Y57 P58 | H34-R36 PolarHBondContact O-N 2.87Å; H34-Y57 WeakPolarHBondContact O-CD1 3.23Å; H34-P58 WeakPolarHBondContact O-CD 3.42Å | ||
| 35 | V | 95.9 | Very high | 96.6 | Very high | 2 Ų | 2 | 80.3 Ų | 80.3 | 1% | 0.012 | 38% | 0.38 | C | S | . | . | trans | -76.8 | 112.9 | 173.1 | 177.7 | 0 | 0 | 0 | 0 | 109.2 | R26 F29 G33 V38 I55 Y57 | R26-V35 PolarHBondContact NH1-O 2.81Å; F29-V35 HydrophobicContact CB-CG2 4.02Å; G33-V35 PolarHBondContact O-N 3.39Å; V35-V38 HydrophobicContact CG1-CG2 3.48Å; V35-V38 VanDerWaalsContact CG1-CG2 3.48Å; V35-I55 HydrophobicContact CG1-CG2 3.84Å; V35-I55 HydrophobicContact CG2-CG2 4.22Å; V35-Y57 HydrophobicContact CG2-CE1 4.18Å | ||
| 36 | R | 94.8 | Very high | 96.6 | Very high | 101 Ų | 101 | 84 Ų | 84 | 38% | 0.381 | 40% | 0.402 | S | S | . | . | trans | -69.9 | -51.6 | 177.4 | -171 | 173 | 85.9 | 175.7 | 14.8 | 110.9 | N8 H34 E56 P58 | N8-R36 PolarHBondContact ND2-NH2 3.47Å; N8-R36 PolarHBondContact OD1-NH1 2.89Å; N8-R36 PolarHBondContact OD1-NH2 3.28Å; H34-R36 PolarHBondContact O-N 2.87Å; R36-E56 WeakPolarHBondContact CA-O 3.1Å; R36-E56 HydrophobicContact CB-CB 4.5Å; R36-E56 WeakPolarHBondContact CB-O 3.17Å; R36-E56 IonicContact CZ-OE1 2.96Å; R36-E56 IonicContact CZ-OE2 3.76Å; R36-E56 PolarHBondContact N-O 3.1Å; R36-E56 VanDerWaalsContact NE-CD 3.35Å; R36-E56 IonicContact NE-OE1 2.64Å; R36-E56 PolarHBondContact NE-OE1 3.46Å; R36-E56 IonicContact NH2-OE1 2.89Å; R36-E56 PolarHBondContact NH2-OE1 2.97Å; R36-E56 IonicContact NH2-OE2 2.89Å; R36-E56 PolarHBondContact NH2-OE2 3.47Å; R36-P58 HydrophobicContact CB-CG 4.24Å | ||
| 37 | D | 96.1 | Very high | 96.5 | Very high | 75 Ų | 75 | 88.4 Ų | 88.4 | 40% | 0.401 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 152.7 | -177.5 | -166.1 | 25.9 | 0 | 0 | 0 | 111.8 | E56 | D37-E56 HydrophobicContact CB-CB 4.01Å; D37-E56 PolarHBondContact N-O 2.7Å; D37-E56 PolarHBondContact O-N 3Å |
| 38 | V | 97.9 | Very high | 96.4 | Very high | 7 Ų | 7 | 94.4 Ų | 94.4 | 4% | 0.042 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 115.3 | 173.3 | 177.2 | 0 | 0 | 0 | 0 | 107.5 | E22 L25 R26 V35 I40 Y54 I55 | E22-V38 HydrophobicContact CB-CG1 4.39Å; E22-V38 HydrophobicContact CG-CB 3.48Å; E22-V38 VanDerWaalsContact CG-CB 3.48Å; E22-V38 HydrophobicContact CG-CG1 3.51Å; E22-V38 HydrophobicContact CG-CG2 4.27Å; L25-V38 HydrophobicContact CB-CG1 3.98Å; L25-V38 HydrophobicContact CD1-CG1 3.93Å; R26-V38 HydrophobicContact CB-CG2 4.17Å; V35-V38 HydrophobicContact CG1-CG2 3.48Å; V35-V38 VanDerWaalsContact CG1-CG2 3.48Å; V38-I40 HydrophobicContact CG1-CG1 4.43Å; V38-Y54 WeakPolarHBondContact CA-O 3.47Å; V38-I55 HydrophobicContact CB-CD1 4.08Å; V38-I55 HydrophobicContact CG1-CD1 3.69Å; V38-I55 HydrophobicContact CG2-CD1 3.66Å |
| 39 | Y | 97.6 | Very high | 96.4 | Very high | 132 Ų | 132 | 90.5 Ų | 90.5 | 52% | 0.518 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 118.5 | -179.4 | 179.1 | -133.6 | 0 | 0 | 0 | 110.7 | P41 A53 Y54 | Y39-P41 HydrophobicContact CD1-CG 3.88Å; Y39-P41 HydrophobicContact CE1-CB 4.27Å; Y39-P41 HydrophobicContact CE1-CG 3.54Å; Y39-P41 HydrophobicContact CE2-CG 4.47Å; Y39-P41 HydrophobicContact CG-CG 4.5Å; Y39-P41 WeakPolarHBondContact O-CD 3.48Å; Y39-A53 CarbonylContact O-C 3.5Å; Y39-A53 VanDerWaalsContact O-CA 3.23Å; Y39-A53 WeakPolarHBondContact O-CA 3.32Å; Y39-A53 WeakPolarHBondContact O-CB 3.3Å; Y39-Y54 AromaticContact CD1-CD2 3.93Å; Y39-Y54 HydrophobicContact CD1-CD2 3.93Å; Y39-Y54 PolarHBondContact N-O 2.9Å; Y39-Y54 PolarHBondContact O-N 3.37Å |
| 40 | I | 97.9 | Very high | 96.4 | Very high | 33 Ų | 33 | 95.8 Ų | 95.8 | 17% | 0.169 | 43% | 0.428 | C | S | . | . | trans | -109.9 | 99.7 | 175.2 | -55.7 | 175.7 | 0 | 0 | 0 | 108.1 | L25 V38 L42 P49 A53 | L25-I40 HydrophobicContact CD1-CD1 3.88Å; L25-I40 HydrophobicContact CD1-CG1 3.98Å; V38-I40 HydrophobicContact CG1-CG1 4.43Å; I40-L42 PolarHBondContact O-N 3.35Å; I40-P49 HydrophobicContact CG2-CB 4.27Å; I40-A53 HydrophobicContact CG1-CB 3.97Å | ||
| 41 | P | 97.1 | Very high | 96.4 | Very high | 5 Ų | 5 | 93.5 Ų | 93.5 | 3% | 0.032 | 41% | 0.413 | C | S | . | . | P | Polyproline II helix | trans | -65.9 | 133.4 | -177.2 | -25.8 | 38.3 | 0 | 0 | 0 | 112.2 | Y39 R50 F52 Y54 | Y39-P41 HydrophobicContact CD1-CG 3.88Å; Y39-P41 HydrophobicContact CE1-CB 4.27Å; Y39-P41 HydrophobicContact CE1-CG 3.54Å; Y39-P41 HydrophobicContact CE2-CG 4.47Å; Y39-P41 HydrophobicContact CG-CG 4.5Å; Y39-P41 WeakPolarHBondContact O-CD 3.48Å; P41-R50 PolarHBondContact O-N 2.89Å; P41-R50 VanDerWaalsContact O-N 3.1Å; P41-F52 HydrophobicContact CB-CE2 4.18Å; P41-F52 HydrophobicContact CB-CZ 4Å; P41-F52 WeakPolarHBondContact CD-O 3.3Å; P41-F52 HydrophobicContact CG-CD2 4.14Å; P41-F52 HydrophobicContact CG-CE2 3.49Å; P41-F52 VanDerWaalsContact CG-CE2 3.49Å; P41-F52 HydrophobicContact CG-CZ 3.82Å; P41-Y54 HydrophobicContact CG-CD2 4.42Å; P41-Y54 HydrophobicContact CG-CE2 4.35Å |
| 42 | L | 96.9 | Very high | 96.4 | Very high | 72 Ų | 72 | 87.1 Ų | 87.1 | 38% | 0.377 | 39% | 0.386 | S | S | . | . | B | Isolated β-bridge | trans | -93.1 | 145.9 | 170.1 | -54.2 | -178.6 | 0 | 0 | 0 | 109.8 | I40 R48 P49 | I40-L42 PolarHBondContact O-N 3.35Å; L42-R48 CarbonylContact C-O 3.54Å; L42-R48 WeakPolarHBondContact CA-O 3.43Å; L42-P49 HydrophobicContact CD2-CB 4.39Å; L42-P49 HydrophobicContact CD2-CG 3.93Å |
| 43 | D | 96.8 | Very high | 96.6 | Very high | 55 Ų | 55 | 79.9 Ų | 79.9 | 29% | 0.294 | 36% | 0.357 | S | S | . | . | P | Polyproline II helix | trans | -62.3 | 131.8 | 163.2 | 175.8 | -97.4 | 0 | 0 | 0 | 109.4 | Y45 T46 R47 R48 R50 | D43-Y45 VanDerWaalsContact C-N 3.31Å; D43-Y45 PolarHBondContact O-N 2.81Å; D43-Y45 PolarHBondContact OD1-N 3.28Å; D43-T46 VanDerWaalsContact CB-OG1 3.3Å; D43-T46 WeakPolarHBondContact CB-OG1 3.23Å; D43-T46 WeakPolarHBondContact OD1-CB 3.41Å; D43-T46 WeakPolarHBondContact OD1-CG2 3.49Å; D43-T46 PolarHBondContact OD1-N 3.28Å; D43-T46 PolarHBondContact OD1-OG1 3.13Å; D43-R47 VanDerWaalsContact O-CA 3.23Å; D43-R47 WeakPolarHBondContact O-CA 3.23Å; D43-R47 PolarHBondContact O-N 2.88Å; D43-R48 PolarHBondContact N-O 2.76Å; D43-R50 HydrophobicContact CB-CG 4.23Å |
| 44 | Y | 96.2 | Very high | 96.8 | Very high | 180 Ų | 180 | 82.8 Ų | 82.8 | 71% | 0.706 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -39.4 | -170.7 | 178.1 | -98.4 | 0 | 0 | 0 | 112.4 | ||
| 45 | Y | 97.4 | Very high | 97 | Very high | 200 Ų | 200 | 76.3 Ų | 76.3 | 78% | 0.784 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | -47.9 | -174.1 | -61.4 | -77 | 0 | 0 | 0 | 112.2 | D43 | D43-Y45 VanDerWaalsContact C-N 3.31Å; D43-Y45 PolarHBondContact O-N 2.81Å; D43-Y45 PolarHBondContact OD1-N 3.28Å |
| 46 | T | 97.4 | Very high | 96.9 | Very high | 80 Ų | 80 | 77.9 Ų | 77.9 | 49% | 0.491 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -14.6 | -175 | 63.4 | 0 | 0 | 0 | 0 | 113.2 | D43 R48 | D43-T46 VanDerWaalsContact CB-OG1 3.3Å; D43-T46 WeakPolarHBondContact CB-OG1 3.23Å; D43-T46 WeakPolarHBondContact OD1-CB 3.41Å; D43-T46 WeakPolarHBondContact OD1-CG2 3.49Å; D43-T46 PolarHBondContact OD1-N 3.28Å; D43-T46 PolarHBondContact OD1-OG1 3.13Å; T46-R48 PolarHBondContact O-N 3.01Å; T46-R48 VanDerWaalsContact O-N 3.13Å; T46-R48 PolarHBondContact OG1-N 2.9Å |
| 47 | R | 96.2 | Very high | 96.9 | Very high | 169 Ų | 169 | 74.3 Ų | 74.3 | 64% | 0.638 | 32% | 0.322 | S | S | * | . | trans | 57.5 | 18.8 | -172.7 | -55 | -64.1 | -63.4 | -177.2 | -1.7 | 113.5 | D43 | D43-R47 VanDerWaalsContact O-CA 3.23Å; D43-R47 WeakPolarHBondContact O-CA 3.23Å; D43-R47 PolarHBondContact O-N 2.88Å | ||
| 48 | R | 95.8 | Very high | 96.5 | Very high | 179 Ų | 179 | 73.7 Ų | 73.7 | 68% | 0.675 | 32% | 0.322 | S | S | * | . | trans | -92.5 | 149.2 | 178.6 | -66.4 | -178.3 | 179.2 | -179.9 | -0.7 | 111.3 | L42 D43 T46 | L42-R48 CarbonylContact C-O 3.54Å; L42-R48 WeakPolarHBondContact CA-O 3.43Å; D43-R48 PolarHBondContact N-O 2.76Å; T46-R48 PolarHBondContact O-N 3.01Å; T46-R48 VanDerWaalsContact O-N 3.13Å; T46-R48 PolarHBondContact OG1-N 2.9Å | ||
| 49 | P | 96.6 | Very high | 95.6 | Very high | 38 Ų | 38 | 74.9 Ų | 74.9 | 25% | 0.247 | 33% | 0.331 | C | S | . | . | B | Isolated β-bridge | trans | -57.8 | 146.6 | 173.5 | -27.2 | 37.9 | 0 | 0 | 0 | 112.6 | M18 I40 L42 G51 | M18-P49 WeakPolarHBondContact O-CG 3.27Å; M18-P49 HydrophobicContact SD-CB 4.36Å; I40-P49 HydrophobicContact CG2-CB 4.27Å; L42-P49 HydrophobicContact CD2-CB 4.39Å; L42-P49 HydrophobicContact CD2-CG 3.93Å; P49-G51 VanDerWaalsContact C-N 3.33Å |
| 50 | R | 96.6 | Very high | 94.3 | Very high | 149 Ų | 149 | 77.7 Ų | 77.7 | 56% | 0.562 | 35% | 0.349 | S | S | * | . | trans | -90.3 | 7.5 | 180 | -65.1 | 175.5 | 62.5 | -168.2 | -3.3 | 114.1 | P41 D43 F52 | P41-R50 PolarHBondContact O-N 2.89Å; P41-R50 VanDerWaalsContact O-N 3.1Å; D43-R50 HydrophobicContact CB-CG 4.23Å; R50-F52 HydrophobicContact CB-CD1 3.67Å; R50-F52 HydrophobicContact CB-CE1 3.41Å; R50-F52 VanDerWaalsContact CB-CE1 3.41Å; R50-F52 HydrophobicContact CB-CZ 4.39Å; R50-F52 HydrophobicContact CG-CE1 4.32Å | ||
| 51 | G | 97.4 | Very high | 92.8 | Very high | 10 Ų | 10 | 80.1 Ų | 80.1 | 10% | 0.103 | 37% | 0.365 | C | S | . | . | S | Bend | trans | 74.9 | 22.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | N15 L16 P49 | N15-G51 PolarHBondContact N-O 2.93Å; L16-G51 PolarHBondContact N-O 3.27Å; P49-G51 VanDerWaalsContact C-N 3.33Å |
| 52 | F | 98 | Very high | 90.9 | Very high | 21 Ų | 21 | 84.4 Ų | 84.4 | 9% | 0.092 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 163.5 | 174.5 | 71.7 | -94.4 | 0 | 0 | 0 | 111.7 | Y12 I13 P41 R50 Y54 | Y12-F52 HydrophobicContact CD2-CD2 4.16Å; Y12-F52 HydrophobicContact CE2-CB 3.78Å; Y12-F52 AromaticContact CE2-CD2 3.47Å; Y12-F52 HydrophobicContact CE2-CD2 3.47Å; Y12-F52 VanDerWaalsContact CE2-CD2 3.47Å; Y12-F52 HydrophobicContact CE2-CE2 4.12Å; Y12-F52 AromaticContact CE2-CG 3.79Å; Y12-F52 HydrophobicContact CE2-CG 3.79Å; I13-F52 CarbonylContact O-C 3.49Å; I13-F52 WeakPolarHBondContact O-CA 3.42Å; I13-F52 WeakPolarHBondContact O-CB 3.41Å; P41-F52 HydrophobicContact CB-CE2 4.18Å; P41-F52 HydrophobicContact CB-CZ 4Å; P41-F52 WeakPolarHBondContact CD-O 3.3Å; P41-F52 HydrophobicContact CG-CD2 4.14Å; P41-F52 HydrophobicContact CG-CE2 3.49Å; P41-F52 VanDerWaalsContact CG-CE2 3.49Å; P41-F52 HydrophobicContact CG-CZ 3.82Å; R50-F52 HydrophobicContact CB-CD1 3.67Å; R50-F52 HydrophobicContact CB-CE1 3.41Å; R50-F52 VanDerWaalsContact CB-CE1 3.41Å; R50-F52 HydrophobicContact CB-CZ 4.39Å; R50-F52 HydrophobicContact CG-CE1 4.32Å; F52-Y54 HydrophobicContact CD2-CE2 4.14Å; F52-Y54 HydrophobicContact CE2-CD2 4.38Å; F52-Y54 AromaticContact CE2-CE2 3.61Å; F52-Y54 HydrophobicContact CE2-CE2 3.61Å |
| 53 | A | 98.3 | Very high | 89.2 | Confident | 0 Ų | 0 | 88.1 Ų | 88.1 | 0% | 0 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 162 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | I13 L16 L25 Y39 I40 | I13-A53 PolarHBondContact N-O 2.88Å; I13-A53 PolarHBondContact O-N 3.33Å; L16-A53 HydrophobicContact CD1-CB 3.54Å; L25-A53 HydrophobicContact CD1-CB 3.49Å; L25-A53 VanDerWaalsContact CD1-CB 3.49Å; Y39-A53 CarbonylContact O-C 3.5Å; Y39-A53 VanDerWaalsContact O-CA 3.23Å; Y39-A53 WeakPolarHBondContact O-CA 3.32Å; Y39-A53 WeakPolarHBondContact O-CB 3.3Å; I40-A53 HydrophobicContact CG1-CB 3.97Å |
| 54 | Y | 97.8 | Very high | 87.3 | Confident | 95 Ų | 95 | 95 Ų | 95 | 37% | 0.373 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 136 | 166.6 | -62.4 | -81.7 | 0 | 0 | 0 | 110.2 | L11 Y12 V38 Y39 P41 F52 | L11-Y54 VanDerWaalsContact O-CA 3.23Å; L11-Y54 WeakPolarHBondContact O-CA 2.93Å; Y12-Y54 HydrophobicContact CD2-CD1 4.17Å; Y12-Y54 AromaticContact CD2-CE1 3.65Å; Y12-Y54 HydrophobicContact CD2-CE1 3.65Å; Y12-Y54 AromaticContact CD2-CZ 3.98Å; Y12-Y54 HydrophobicContact CE2-CE1 4.45Å; Y12-Y54 HydrophobicContact CG-CE1 4.1Å; V38-Y54 WeakPolarHBondContact CA-O 3.47Å; Y39-Y54 AromaticContact CD1-CD2 3.93Å; Y39-Y54 HydrophobicContact CD1-CD2 3.93Å; Y39-Y54 PolarHBondContact N-O 2.9Å; Y39-Y54 PolarHBondContact O-N 3.37Å; P41-Y54 HydrophobicContact CG-CD2 4.42Å; P41-Y54 HydrophobicContact CG-CE2 4.35Å; F52-Y54 HydrophobicContact CD2-CE2 4.14Å; F52-Y54 HydrophobicContact CE2-CD2 4.38Å; F52-Y54 AromaticContact CE2-CE2 3.61Å; F52-Y54 HydrophobicContact CE2-CE2 3.61Å |
| 55 | I | 97.5 | Very high | 85.5 | Confident | 0 Ų | 0 | 94.5 Ų | 94.5 | 0% | 0 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 125.4 | 172.1 | -53.6 | -62.2 | 0 | 0 | 0 | 108 | S10 L11 I13 L25 F29 V35 V38 Y57 | S10-I55 CarbonylContact C-O 3.49Å; S10-I55 VanDerWaalsContact CA-O 3.3Å; S10-I55 WeakPolarHBondContact CA-O 3.48Å; L11-I55 HydrophobicContact CB-CB 4.28Å; L11-I55 PolarHBondContact N-O 2.83Å; L11-I55 PolarHBondContact O-N 3.4Å; I13-I55 HydrophobicContact CD1-CB 4.49Å; I13-I55 HydrophobicContact CD1-CD1 4.07Å; I13-I55 HydrophobicContact CD1-CG1 3.29Å; I13-I55 HydrophobicContact CG1-CG1 4.34Å; L25-I55 HydrophobicContact CB-CD1 3.96Å; L25-I55 HydrophobicContact CD1-CD1 4.33Å; F29-I55 HydrophobicContact CB-CG2 4.2Å; F29-I55 HydrophobicContact CD2-CD1 4.35Å; F29-I55 HydrophobicContact CD2-CG1 4.09Å; F29-I55 HydrophobicContact CE2-CG1 4.41Å; F29-I55 HydrophobicContact CG-CG1 4.22Å; F29-I55 HydrophobicContact CG-CG2 4.39Å; V35-I55 HydrophobicContact CG1-CG2 3.84Å; V35-I55 HydrophobicContact CG2-CG2 4.22Å; V38-I55 HydrophobicContact CB-CD1 4.08Å; V38-I55 HydrophobicContact CG1-CD1 3.69Å; V38-I55 HydrophobicContact CG2-CD1 3.66Å; I55-Y57 HydrophobicContact CG2-CD2 4.39Å; I55-Y57 HydrophobicContact CG2-CE2 3.76Å |
| 56 | E | 95.2 | Very high | 83.7 | Confident | 34 Ų | 34 | 92.6 Ų | 92.6 | 16% | 0.159 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 130.7 | -178.1 | -163.1 | 173 | 65.7 | 0 | 0 | 110.9 | N8 R36 D37 | N8-E56 HydrophobicContact CB-CG 4.02Å; N8-E56 WeakPolarHBondContact CB-OE2 3.36Å; N8-E56 PolarHBondContact ND2-OE2 3Å; N8-E56 VanDerWaalsContact ND2-OE2 3.13Å; R36-E56 WeakPolarHBondContact CA-O 3.1Å; R36-E56 HydrophobicContact CB-CB 4.5Å; R36-E56 WeakPolarHBondContact CB-O 3.17Å; R36-E56 IonicContact CZ-OE1 2.96Å; R36-E56 IonicContact CZ-OE2 3.76Å; R36-E56 PolarHBondContact N-O 3.1Å; R36-E56 VanDerWaalsContact NE-CD 3.35Å; R36-E56 IonicContact NE-OE1 2.64Å; R36-E56 PolarHBondContact NE-OE1 3.46Å; R36-E56 IonicContact NH2-OE1 2.89Å; R36-E56 PolarHBondContact NH2-OE1 2.97Å; R36-E56 IonicContact NH2-OE2 2.89Å; R36-E56 PolarHBondContact NH2-OE2 3.47Å; D37-E56 HydrophobicContact CB-CB 4.01Å; D37-E56 PolarHBondContact N-O 2.7Å; D37-E56 PolarHBondContact O-N 3Å |
| 57 | Y | 93.7 | Very high | 81.5 | Confident | 27 Ų | 27 | 94.4 Ų | 94.4 | 11% | 0.106 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 148.7 | 171 | -68.2 | -89.1 | 0 | 0 | 0 | 110.1 | T9 L11 F29 H34 V35 I55 S59 | T9-Y57 PolarHBondContact O-N 3.39Å; L11-Y57 HydrophobicContact CD1-CE2 3.68Å; L11-Y57 HydrophobicContact CG-CD2 4.46Å; L11-Y57 HydrophobicContact CG-CE2 4.05Å; F29-Y57 WeakPolarHBondContact CB-OH 3.13Å; F29-Y57 PolarHBondContact O-OH 2.87Å; F29-Y57 VanDerWaalsContact O-OH 3.13Å; H34-Y57 WeakPolarHBondContact O-CD1 3.23Å; V35-Y57 HydrophobicContact CG2-CE1 4.18Å; I55-Y57 HydrophobicContact CG2-CD2 4.39Å; I55-Y57 HydrophobicContact CG2-CE2 3.76Å; Y57-S59 PolarHBondContact O-N 3.13Å |
| 58 | P | 89.1 | Confident | 80.3 | Confident | 62 Ų | 62 | 97.2 Ų | 97.2 | 40% | 0.403 | 47% | 0.466 | S | S | . | . | trans | -55.8 | 130 | 164.8 | -19 | 31.2 | 0 | 0 | 0 | 109.5 | H34 R36 | H34-P58 WeakPolarHBondContact O-CD 3.42Å; R36-P58 HydrophobicContact CB-CG 4.24Å | ||
| 59 | S | 79.2 | Confident | 79.5 | Confident | 32 Ų | 32 | 93.1 Ų | 93.1 | 22% | 0.224 | 46% | 0.455 | C | S | . | . | trans | -70.5 | 131.4 | 168.4 | 58.1 | 0 | 0 | 0 | 0 | 109.4 | I6 P7 Y57 T61 | I6-S59 WeakPolarHBondContact CG2-OG 3.46Å; P7-S59 WeakPolarHBondContact O-CB 3.3Å; Y57-S59 PolarHBondContact O-N 3.13Å; S59-T61 VanDerWaalsContact C-N 3.27Å; S59-T61 PolarHBondContact O-N 2.78Å | ||
| 60 | E | 69.5 | Low | 78.6 | Confident | 190 Ų | 190 | 96 Ų | 96 | 89% | 0.888 | 47% | 0.466 | S | S | * | . | S | Bend | trans | -76.4 | -14.6 | 176.2 | -67.1 | -175.4 | 176.5 | 0 | 0 | 113.2 | P62 | E60-P62 WeakPolarHBondContact O-CD 3.42Š|
| 61 | T | 65.3 | Low | 77.6 | Confident | 84 Ų | 84 | 93.1 Ų | 93.1 | 52% | 0.515 | 46% | 0.461 | S | S | . | . | trans | -99.6 | 100.2 | -172.6 | -43.6 | 0 | 0 | 0 | 0 | 111.9 | S59 F63 | S59-T61 VanDerWaalsContact C-N 3.27Å; S59-T61 PolarHBondContact O-N 2.78Å; T61-F63 HydrophobicContact CG2-CD2 4.42Å; T61-F63 HydrophobicContact CG2-CE2 4.46Å; T61-F63 PolarHBondContact O-N 3.1Å; T61-F63 VanDerWaalsContact O-N 3.09Å | ||
| 62 | P | 59.1 | Low | 76.4 | Confident | 95 Ų | 95 | 97.9 Ų | 97.9 | 62% | 0.617 | 48% | 0.482 | S | S | * | . | trans | -65.7 | 108 | 153.7 | 27.3 | -29.6 | 0 | 0 | 0 | 106.5 | E60 R64 | E60-P62 WeakPolarHBondContact O-CD 3.42Å; P62-R64 PolarHBondContact O-N 3.42Å | ||
| 63 | F | 60.7 | Low | 75.1 | Confident | 151 Ų | 151 | 102.8 Ų | 102.8 | 66% | 0.662 | 51% | 0.506 | S | S | * | . | trans | -62.4 | 86.9 | 164.4 | -80.5 | -88 | 0 | 0 | 0 | 107.5 | P7 T61 H65 | P7-F63 HydrophobicContact CG-CD2 4.41Å; P7-F63 HydrophobicContact CG-CE2 3.65Å; T61-F63 HydrophobicContact CG2-CD2 4.42Å; T61-F63 HydrophobicContact CG2-CE2 4.46Å; T61-F63 PolarHBondContact O-N 3.1Å; T61-F63 VanDerWaalsContact O-N 3.09Å; F63-H65 VanDerWaalsContact C-N 3.3Å; F63-H65 PolarHBondContact O-N 2.92Å | ||
| 64 | R | 55.9 | Low | 73.5 | Confident | 199 Ų | 199 | 109.6 Ų | 109.6 | 75% | 0.751 | 54% | 0.54 | S | S | * | . | trans | -68 | 95.6 | 166.1 | -85.3 | -174 | 167.2 | -165.6 | -3 | 106.3 | P62 F66 | P62-R64 PolarHBondContact O-N 3.42Å; R64-F66 VanDerWaalsContact C-N 3.34Å; R64-F66 HydrophobicContact CB-CD2 4.31Å; R64-F66 HydrophobicContact CB-CE2 4.14Å; R64-F66 PolarHBondContact O-N 2.76Å | ||
| 65 | H | 58.2 | Low | 71.8 | Confident | 169 Ų | 169 | 110.6 Ų | 110.6 | 78% | 0.782 | 55% | 0.552 | S | S | * | * | trans | -67.5 | 99.8 | 163.8 | -141.1 | 84.7 | 0 | 0 | 0 | 106.6 | F63 T67 | F63-H65 VanDerWaalsContact C-N 3.3Å; F63-H65 PolarHBondContact O-N 2.92Å; H65-T67 VanDerWaalsContact C-N 3.33Å; H65-T67 PolarHBondContact CD2-OG1 3.33Å; H65-T67 PolarHBondContact O-N 2.8Å | ||
| 66 | F | 60.7 | Low | 69.8 | Low | 160 Ų | 160 | 119.2 Ų | 119.2 | 70% | 0.702 | 59% | 0.594 | S | S | * | * | trans | -77 | 94.7 | 159.2 | -77.9 | -84.9 | 0 | 0 | 0 | 106 | R64 L68 | R64-F66 VanDerWaalsContact C-N 3.34Å; R64-F66 HydrophobicContact CB-CD2 4.31Å; R64-F66 HydrophobicContact CB-CE2 4.14Å; R64-F66 PolarHBondContact O-N 2.76Å; F66-L68 PolarHBondContact O-N 3.23Å | ||
| 67 | T | 52 | Low | 67.7 | Low | 118 Ų | 118 | 126.3 Ų | 126.3 | 72% | 0.724 | 63% | 0.631 | S | S | * | * | trans | -73 | 109.8 | 159.9 | -52.7 | 0 | 0 | 0 | 0 | 106.3 | H65 | H65-T67 VanDerWaalsContact C-N 3.33Å; H65-T67 PolarHBondContact CD2-OG1 3.33Å; H65-T67 PolarHBondContact O-N 2.8Å | ||
| 68 | L | 69.2 | Low | 65.3 | Low | 228 Ų | 228 | 135.3 Ų | 135.3 | 100% | 1.194 | 68% | 0.678 | S | S | * | * | trans | -94.5 | 0 | 157.7 | -66.7 | 179.3 | 0 | 0 | 0 | 108.2 | F66 | F66-L68 PolarHBondContact O-N 3.23Š|
Retrieved 68 of 68 residues in 33.1 ms
(Link to these results)