| 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 | L | 74.3 | Confident | 87.8 | Confident | 219 Ų | 219 | 96.7 Ų | 96.7 | 100% | 1.147 | 53% | 0.533 | S | S | * | . | 0 | 105.5 | 0 | -75.5 | 161.2 | 0 | 0 | 0 | 108.7 | V3 | L1-V3 PolarHBondContact O-N 3.39Š| |||
| 2 | T | 83.1 | Confident | 88.3 | Confident | 110 Ų | 110 | 101.8 Ų | 101.8 | 68% | 0.675 | 55% | 0.546 | S | S | * | . | trans | -67.4 | 115 | 176.3 | -53.2 | 0 | 0 | 0 | 0 | 109.3 | Y4 | T2-Y4 HydrophobicContact CG2-CE2 4.34Š| ||
| 3 | V | 89.6 | Confident | 88.7 | Confident | 78 Ų | 78 | 97 Ų | 97 | 47% | 0.473 | 52% | 0.517 | S | S | . | . | trans | -97.2 | 141.6 | 178.7 | -68.3 | 0 | 0 | 0 | 0 | 110.4 | L1 P5 | L1-V3 PolarHBondContact O-N 3.39Å; V3-P5 VanDerWaalsContact O-CD 3.3Å; V3-P5 WeakPolarHBondContact O-CD 3.21Å | ||
| 4 | Y | 92.1 | Very high | 89 | Confident | 83 Ų | 83 | 102.4 Ų | 102.4 | 33% | 0.325 | 53% | 0.534 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 97.2 | 177.5 | -66.4 | -88.5 | 0 | 0 | 0 | 108.9 | T2 F13 S15 R16 | T2-Y4 HydrophobicContact CG2-CE2 4.34Å; Y4-F13 PolarHBondContact N-O 2.9Å; Y4-F13 PolarHBondContact O-N 2.83Å; Y4-S15 VanDerWaalsContact CD2-C 3.45Å; Y4-R16 HydrophobicContact CD1-CB 4.02Å; Y4-R16 HydrophobicContact CD1-CG 4.4Å; Y4-R16 HydrophobicContact CE1-CB 3.83Å; Y4-R16 HydrophobicContact CE1-CG 4.34Å; Y4-R16 HydrophobicContact CG-CB 4.45Å |
| 5 | P | 92.4 | Very high | 89.3 | Confident | 70 Ų | 70 | 98.3 Ų | 98.3 | 46% | 0.455 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 143 | -179.3 | 30.8 | -33.9 | 0 | 0 | 0 | 111.8 | V3 K11 | V3-P5 VanDerWaalsContact O-CD 3.3Å; V3-P5 WeakPolarHBondContact O-CD 3.21Å; P5-K11 CarbonylContact C-O 3.58Å |
| 6 | C | 90.3 | Very high | 89.4 | Confident | 3 Ų | 3 | 104 Ų | 104 | 2% | 0.02 | 53% | 0.529 | C | S | . | . | trans | -73.7 | 122.9 | 165.5 | 174.2 | 0 | 0 | 0 | 0 | 109.5 | I8 C9 G10 K11 F13 L19 H22 M23 H26 | C6-I8 PolarHBondContact O-N 3.49Å; C6-I8 PolarHBondContact SG-N 2.84Å; C6-C9 PolarHBondContact SG-N 2.96Å; C6-C9 VanDerWaalsContact SG-N 3.35Å; C6-C9 PolarHBondContact SG-SG 3.11Å; C6-G10 WeakPolarHBondContact O-CA 3.49Å; C6-G10 PolarHBondContact O-N 3.1Å; C6-K11 HydrophobicContact CB-CB 4.4Å; C6-K11 WeakPolarHBondContact CB-O 3.48Å; C6-K11 PolarHBondContact N-O 3.12Å; C6-F13 HydrophobicContact CB-CE2 4.2Å; C6-L19 HydrophobicContact CB-CD1 4.03Å; C6-H22 PolarHBondContact SG-NE2 3.45Å; C6-H22 VanDerWaalsContact SG-NE2 3.44Å; C6-M23 HydrophobicContact CB-CE 3.76Å; C6-M23 WeakPolarHBondContact SG-CE 3.39Å; C6-H26 PolarHBondContact SG-NE2 3.31Å | ||
| 7 | M | 87.3 | Confident | 89.6 | Confident | 187 Ų | 187 | 100.8 Ų | 100.8 | 92% | 0.921 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -6.2 | 178.3 | -59.1 | -158.4 | -61.7 | 0 | 0 | 113.7 | ||
| 8 | I | 85.4 | Confident | 89.8 | Confident | 68 Ų | 68 | 99.4 Ų | 99.4 | 35% | 0.349 | 52% | 0.517 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | -53.2 | -177.9 | -60.5 | 166.1 | 0 | 0 | 0 | 110.9 | C6 M23 H26 E28 | C6-I8 PolarHBondContact O-N 3.49Å; C6-I8 PolarHBondContact SG-N 2.84Å; I8-M23 HydrophobicContact CD1-SD 4.09Å; I8-H26 HydrophobicContact CD1-CB 3.67Å; I8-H26 VanDerWaalsContact CD1-CG 3.48Å; I8-H26 WeakPolarHBondContact CG2-CE1 3.18Å; I8-H26 VanDerWaalsContact CG2-ND1 3.26Å; I8-H26 WeakPolarHBondContact CG2-ND1 2.96Å; I8-E28 HydrophobicContact CD1-CG 3.64Å; I8-E28 WeakPolarHBondContact CD1-OE2 3.5Å; I8-E28 HydrophobicContact CG1-CG 4.23Å; I8-E28 WeakPolarHBondContact CG1-OE2 3.33Å; I8-E28 VanDerWaalsContact CG2-OE1 3.28Å; I8-E28 WeakPolarHBondContact CG2-OE1 3.41Å; I8-E28 WeakPolarHBondContact CG2-OE2 3.34Å |
| 9 | C | 89.8 | Confident | 89.9 | Confident | 65 Ų | 65 | 95.8 Ų | 95.8 | 44% | 0.439 | 50% | 0.499 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117 | 3.1 | -175.8 | 66.9 | 0 | 0 | 0 | 0 | 113.9 | C6 K11 H22 H26 | C6-C9 PolarHBondContact SG-N 2.96Å; C6-C9 VanDerWaalsContact SG-N 3.35Å; C6-C9 PolarHBondContact SG-SG 3.11Å; C9-K11 PolarHBondContact O-N 3.29Å; C9-K11 VanDerWaalsContact O-N 3.11Å; C9-H22 PolarHBondContact SG-NE2 3.44Å; C9-H26 PolarHBondContact SG-NE2 3.28Å |
| 10 | G | 89.8 | Confident | 89.9 | Confident | 46 Ų | 46 | 98.7 Ų | 98.7 | 47% | 0.474 | 51% | 0.507 | S | S | . | . | trans | 73.8 | -4.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | C6 K12 | C6-G10 WeakPolarHBondContact O-CA 3.49Å; C6-G10 PolarHBondContact O-N 3.1Å; G10-K12 PolarHBondContact O-N 2.84Å | ||
| 11 | K | 92.2 | Very high | 89.9 | Confident | 135 Ų | 135 | 101.5 Ų | 101.5 | 59% | 0.587 | 51% | 0.511 | S | S | * | . | trans | -57.1 | 131.8 | 178.2 | -89.8 | -170.1 | 174.5 | -175.3 | 0 | 111.6 | P5 C6 C9 F13 | P5-K11 CarbonylContact C-O 3.58Å; C6-K11 HydrophobicContact CB-CB 4.4Å; C6-K11 WeakPolarHBondContact CB-O 3.48Å; C6-K11 PolarHBondContact N-O 3.12Å; C9-K11 PolarHBondContact O-N 3.29Å; C9-K11 VanDerWaalsContact O-N 3.11Å; K11-F13 HydrophobicContact CB-CE2 3.71Å; K11-F13 HydrophobicContact CB-CZ 3.92Å; K11-F13 HydrophobicContact CD-CZ 4.44Å; K11-F13 WeakPolarHBondContact O-CD2 3.46Å; K11-F13 WeakPolarHBondContact O-CE2 3.43Å | ||
| 12 | K | 93.9 | Very high | 90.7 | Very high | 157 Ų | 157 | 92.5 Ų | 92.5 | 68% | 0.683 | 46% | 0.463 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 133.6 | -179.4 | -61.4 | 178.1 | -177 | 176.6 | 0 | 110.6 | G10 | G10-K12 PolarHBondContact O-N 2.84Å |
| 13 | F | 93.4 | Very high | 90.9 | Very high | 40 Ų | 40 | 89 Ų | 89 | 18% | 0.175 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 147.9 | 178.1 | -62.2 | -88.4 | 0 | 0 | 0 | 111.1 | Y4 C6 K11 S15 F18 L19 H22 | Y4-F13 PolarHBondContact N-O 2.9Å; Y4-F13 PolarHBondContact O-N 2.83Å; C6-F13 HydrophobicContact CB-CE2 4.2Å; K11-F13 HydrophobicContact CB-CE2 3.71Å; K11-F13 HydrophobicContact CB-CZ 3.92Å; K11-F13 HydrophobicContact CD-CZ 4.44Å; K11-F13 WeakPolarHBondContact O-CD2 3.46Å; K11-F13 WeakPolarHBondContact O-CE2 3.43Å; F13-S15 VanDerWaalsContact C-N 3.27Å; F13-S15 PolarHBondContact O-N 3.26Å; F13-F18 HydrophobicContact CB-CB 4.14Å; F13-F18 HydrophobicContact CD1-CB 3.85Å; F13-F18 HydrophobicContact CG-CB 4.32Å; F13-L19 HydrophobicContact CB-CB 4.28Å; F13-L19 HydrophobicContact CD2-CB 4.15Å; F13-L19 HydrophobicContact CD2-CD1 3.76Å; F13-L19 HydrophobicContact CE2-CD1 4.07Å; F13-L19 HydrophobicContact CG-CB 4.32Å; F13-H22 HydrophobicContact CE1-CB 3.83Å; F13-H22 HydrophobicContact CE2-CB 4.02Å; F13-H22 AromaticContact CE2-CD2 3.17Å; F13-H22 WeakPolarHBondContact CE2-CD2 3.38Å; F13-H22 AromaticContact CE2-CG 3.66Å; F13-H22 AromaticContact CE2-NE2 3.73Å; F13-H22 HydrophobicContact CZ-CB 3.47Å; F13-H22 VanDerWaalsContact CZ-CB 3.47Å; F13-H22 AromaticContact CZ-CD2 3.2Å; F13-H22 WeakPolarHBondContact CZ-CD2 3.33Å; F13-H22 AromaticContact CZ-CG 3.19Å; F13-H22 AromaticContact CZ-ND1 3.72Å; F13-H22 AromaticContact CZ-NE2 3.71Å |
| 14 | K | 92.5 | Very high | 90.6 | Very high | 173 Ų | 173 | 91.6 Ų | 91.6 | 75% | 0.752 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -74.5 | -13.1 | 178 | 65.6 | -179.6 | 178.6 | -178.6 | 0 | 114.4 | F18 | K14-F18 HydrophobicContact CD-CE2 4.38Å; K14-F18 VanDerWaalsContact CE-CE2 3.46Å; K14-F18 HydrophobicContact CG-CD2 3.89Å; K14-F18 HydrophobicContact CG-CE2 4.1Å |
| 15 | S | 93.8 | Very high | 90.2 | Very high | 40 Ų | 40 | 93.5 Ų | 93.5 | 28% | 0.28 | 46% | 0.46 | S | S | . | . | S | Bend | trans | -151.7 | 156.1 | 176.9 | 85.2 | 0 | 0 | 0 | 0 | 112.3 | Y4 F13 G17 F18 L19 | Y4-S15 VanDerWaalsContact CD2-C 3.45Å; F13-S15 VanDerWaalsContact C-N 3.27Å; F13-S15 PolarHBondContact O-N 3.26Å; S15-G17 PolarHBondContact O-N 3.38Å; S15-G17 PolarHBondContact OG-N 3.26Å; S15-F18 PolarHBondContact O-N 3.1Å; S15-F18 WeakPolarHBondContact OG-CD2 3.48Å; S15-F18 PolarHBondContact OG-N 3.46Å; S15-L19 PolarHBondContact O-N 3.3Å; S15-L19 VanDerWaalsContact O-N 3.16Å |
| 16 | R | 90.2 | Very high | 89.9 | Confident | 190 Ų | 190 | 91 Ų | 91 | 72% | 0.717 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -60.7 | -31.6 | 174.9 | -166.6 | 173.3 | 179.7 | 150.3 | -0.3 | 112.6 | Y4 L19 K20 | Y4-R16 HydrophobicContact CD1-CB 4.02Å; Y4-R16 HydrophobicContact CD1-CG 4.4Å; Y4-R16 HydrophobicContact CE1-CB 3.83Å; Y4-R16 HydrophobicContact CE1-CG 4.34Å; Y4-R16 HydrophobicContact CG-CB 4.45Å; R16-L19 PolarHBondContact O-N 3.21Å; R16-K20 WeakPolarHBondContact O-CB 3.42Å; R16-K20 PolarHBondContact O-N 3.36Å |
| 17 | G | 92.6 | Very high | 89.1 | Confident | 49 Ų | 49 | 95.4 Ų | 95.4 | 51% | 0.505 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -65 | -44.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | S15 K20 R21 | S15-G17 PolarHBondContact O-N 3.38Å; S15-G17 PolarHBondContact OG-N 3.26Å; G17-K20 PolarHBondContact O-N 3.34Å; G17-R21 PolarHBondContact O-N 3.21Å |
| 18 | F | 93.1 | Very high | 88 | Confident | 77 Ų | 77 | 89.9 Ų | 89.9 | 34% | 0.338 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -65.2 | -42.4 | 175.3 | -71.1 | -65.5 | 0 | 0 | 0 | 111.8 | F13 K14 S15 K20 R21 H22 | F13-F18 HydrophobicContact CB-CB 4.14Å; F13-F18 HydrophobicContact CD1-CB 3.85Å; F13-F18 HydrophobicContact CG-CB 4.32Å; K14-F18 HydrophobicContact CD-CE2 4.38Å; K14-F18 VanDerWaalsContact CE-CE2 3.46Å; K14-F18 HydrophobicContact CG-CD2 3.89Å; K14-F18 HydrophobicContact CG-CE2 4.1Å; S15-F18 PolarHBondContact O-N 3.1Å; S15-F18 WeakPolarHBondContact OG-CD2 3.48Å; S15-F18 PolarHBondContact OG-N 3.46Å; F18-K20 VanDerWaalsContact C-N 3.35Å; F18-K20 PolarHBondContact O-N 2.96Å; F18-R21 PolarHBondContact O-N 3.26Å; F18-H22 WeakPolarHBondContact O-CB 3.41Å; F18-H22 PolarHBondContact O-N 3.36Å |
| 19 | L | 93.1 | Very high | 87.2 | Confident | 30 Ų | 30 | 89.8 Ų | 89.8 | 16% | 0.157 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -57.2 | -47.5 | 173.7 | 176.6 | 63.9 | 0 | 0 | 0 | 111.1 | C6 F13 S15 R16 R21 H22 M23 | C6-L19 HydrophobicContact CB-CD1 4.03Å; F13-L19 HydrophobicContact CB-CB 4.28Å; F13-L19 HydrophobicContact CD2-CB 4.15Å; F13-L19 HydrophobicContact CD2-CD1 3.76Å; F13-L19 HydrophobicContact CE2-CD1 4.07Å; F13-L19 HydrophobicContact CG-CB 4.32Å; S15-L19 PolarHBondContact O-N 3.3Å; S15-L19 VanDerWaalsContact O-N 3.16Å; R16-L19 PolarHBondContact O-N 3.21Å; L19-R21 PolarHBondContact O-N 3.28Å; L19-H22 WeakPolarHBondContact O-CB 3.31Å; L19-H22 PolarHBondContact O-N 3.3Å; L19-H22 VanDerWaalsContact O-N 3.15Å; L19-M23 HydrophobicContact CD1-CE 3.52Å; L19-M23 HydrophobicContact CD1-SD 4.41Å; L19-M23 HydrophobicContact CG-CE 4.47Å; L19-M23 WeakPolarHBondContact O-CG 3.49Å; L19-M23 PolarHBondContact O-N 3.3Å |
| 20 | K | 88.8 | Confident | 86 | Confident | 153 Ų | 153 | 91.1 Ų | 91.1 | 67% | 0.665 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -61.3 | -39.9 | 179.5 | -172.1 | 175.7 | -176.7 | 178 | 0 | 112.7 | R16 G17 F18 | R16-K20 WeakPolarHBondContact O-CB 3.42Å; R16-K20 PolarHBondContact O-N 3.36Å; G17-K20 PolarHBondContact O-N 3.34Å; F18-K20 VanDerWaalsContact C-N 3.35Å; F18-K20 PolarHBondContact O-N 2.96Å |
| 21 | R | 89.8 | Confident | 84.7 | Confident | 159 Ų | 159 | 91.4 Ų | 91.4 | 60% | 0.6 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -66.5 | -42.4 | 174.4 | -176.9 | 173 | 66.8 | -177.3 | 4.4 | 111.2 | G17 F18 L19 K24 N25 | G17-R21 PolarHBondContact O-N 3.21Å; F18-R21 PolarHBondContact O-N 3.26Å; L19-R21 PolarHBondContact O-N 3.28Å; R21-K24 WeakPolarHBondContact O-CB 3.47Å; R21-K24 PolarHBondContact O-N 3.29Å; R21-N25 PolarHBondContact O-ND2 3.19Å |
| 22 | H | 91.2 | Very high | 83.2 | Confident | 30 Ų | 30 | 93.7 Ų | 93.7 | 14% | 0.139 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -61.2 | -43.1 | 176.9 | 168 | 64 | 0 | 0 | 0 | 112.2 | C6 C9 F13 F18 L19 K24 N25 H26 | C6-H22 PolarHBondContact SG-NE2 3.45Å; C6-H22 VanDerWaalsContact SG-NE2 3.44Å; C9-H22 PolarHBondContact SG-NE2 3.44Å; F13-H22 HydrophobicContact CE1-CB 3.83Å; F13-H22 HydrophobicContact CE2-CB 4.02Å; F13-H22 AromaticContact CE2-CD2 3.17Å; F13-H22 WeakPolarHBondContact CE2-CD2 3.38Å; F13-H22 AromaticContact CE2-CG 3.66Å; F13-H22 AromaticContact CE2-NE2 3.73Å; F13-H22 HydrophobicContact CZ-CB 3.47Å; F13-H22 VanDerWaalsContact CZ-CB 3.47Å; F13-H22 AromaticContact CZ-CD2 3.2Å; F13-H22 WeakPolarHBondContact CZ-CD2 3.33Å; F13-H22 AromaticContact CZ-CG 3.19Å; F13-H22 AromaticContact CZ-ND1 3.72Å; F13-H22 AromaticContact CZ-NE2 3.71Å; F18-H22 WeakPolarHBondContact O-CB 3.41Å; F18-H22 PolarHBondContact O-N 3.36Å; L19-H22 WeakPolarHBondContact O-CB 3.31Å; L19-H22 PolarHBondContact O-N 3.3Å; L19-H22 VanDerWaalsContact O-N 3.15Å; H22-K24 PolarHBondContact O-N 2.78Å; H22-N25 WeakPolarHBondContact O-CB 3.39Å; H22-N25 PolarHBondContact O-N 3Å; H22-N25 PolarHBondContact O-ND2 3.41Å; H22-H26 AromaticContact CD2-NE2 3.86Å; H22-H26 AromaticContact CE1-CD2 3.87Å; H22-H26 AromaticContact CE1-NE2 3.22Å; H22-H26 PolarHBondContact CE1-NE2 3.36Å; H22-H26 AromaticContact NE2-CD2 3.71Å; H22-H26 AromaticContact NE2-NE2 3.01Å; H22-H26 PolarHBondContact NE2-NE2 3.28Å |
| 23 | M | 86.9 | Confident | 81.8 | Confident | 37 Ų | 37 | 91.1 Ų | 91.1 | 18% | 0.182 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -53.2 | -31.8 | 177.1 | -69.8 | -55.6 | 91.8 | 0 | 0 | 113 | C6 I8 L19 N25 H26 H29 | C6-M23 HydrophobicContact CB-CE 3.76Å; C6-M23 WeakPolarHBondContact SG-CE 3.39Å; I8-M23 HydrophobicContact CD1-SD 4.09Å; L19-M23 HydrophobicContact CD1-CE 3.52Å; L19-M23 HydrophobicContact CD1-SD 4.41Å; L19-M23 HydrophobicContact CG-CE 4.47Å; L19-M23 WeakPolarHBondContact O-CG 3.49Å; L19-M23 PolarHBondContact O-N 3.3Å; M23-N25 PolarHBondContact O-N 3.34Å; M23-H26 PolarHBondContact O-N 3.09Å; M23-H26 VanDerWaalsContact O-N 3.16Å; M23-H29 WeakPolarHBondContact O-CB 3.44Å; M23-H29 VanDerWaalsContact O-CG 3.23Å |
| 24 | K | 84.4 | Confident | 80.7 | Confident | 131 Ų | 131 | 95.1 Ų | 95.1 | 57% | 0.57 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -23.2 | 178.1 | -62.6 | -178.8 | -180 | -178 | 0 | 113.9 | R21 H22 H26 | R21-K24 WeakPolarHBondContact O-CB 3.47Å; R21-K24 PolarHBondContact O-N 3.29Å; H22-K24 PolarHBondContact O-N 2.78Å; K24-H26 VanDerWaalsContact C-N 3.34Å |
| 25 | N | 84.4 | Confident | 80.2 | Confident | 123 Ų | 123 | 91.4 Ų | 91.4 | 66% | 0.658 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | -8.5 | 179.1 | -61.7 | -82.1 | 0 | 0 | 0 | 112.4 | R21 H22 M23 | R21-N25 PolarHBondContact O-ND2 3.19Å; H22-N25 WeakPolarHBondContact O-CB 3.39Å; H22-N25 PolarHBondContact O-N 3Å; H22-N25 PolarHBondContact O-ND2 3.41Å; M23-N25 PolarHBondContact O-N 3.34Å |
| 26 | H | 84.9 | Confident | 79.7 | Confident | 18 Ų | 18 | 98 Ų | 98 | 8% | 0.083 | 46% | 0.458 | C | S | . | . | trans | -76.3 | 128.5 | 177.8 | -86.5 | -70.7 | 0 | 0 | 0 | 111 | C6 I8 C9 H22 M23 K24 E28 H29 L30 | C6-H26 PolarHBondContact SG-NE2 3.31Å; I8-H26 HydrophobicContact CD1-CB 3.67Å; I8-H26 VanDerWaalsContact CD1-CG 3.48Å; I8-H26 WeakPolarHBondContact CG2-CE1 3.18Å; I8-H26 VanDerWaalsContact CG2-ND1 3.26Å; I8-H26 WeakPolarHBondContact CG2-ND1 2.96Å; C9-H26 PolarHBondContact SG-NE2 3.28Å; H22-H26 AromaticContact CD2-NE2 3.86Å; H22-H26 AromaticContact CE1-CD2 3.87Å; H22-H26 AromaticContact CE1-NE2 3.22Å; H22-H26 PolarHBondContact CE1-NE2 3.36Å; H22-H26 AromaticContact NE2-CD2 3.71Å; H22-H26 AromaticContact NE2-NE2 3.01Å; H22-H26 PolarHBondContact NE2-NE2 3.28Å; M23-H26 PolarHBondContact O-N 3.09Å; M23-H26 VanDerWaalsContact O-N 3.16Å; K24-H26 VanDerWaalsContact C-N 3.34Å; H26-E28 HydrophobicContact CB-CG 4.49Å; H26-E28 IonicContact CG-OE1 3.81Å; H26-E28 IonicContact ND1-OE1 3.49Å; H26-E28 PolarHBondContact ND1-OE1 3.3Å; H26-E28 PolarHBondContact O-N 3.03Å; H26-H29 HydrophobicContact CB-CB 4.13Å; H26-H29 WeakPolarHBondContact O-CB 3.25Å; H26-H29 PolarHBondContact O-N 2.71Å; H26-L30 PolarHBondContact O-N 2.9Å; H26-L30 VanDerWaalsContact O-N 3.11Å | ||
| 27 | P | 72.7 | Confident | 79.5 | Confident | 95 Ų | 95 | 89 Ų | 89 | 62% | 0.617 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -61.9 | -31.5 | 179 | 24.2 | -32.1 | 0 | 0 | 0 | 112.1 | H29 L30 A31 | P27-H29 VanDerWaalsContact C-N 3.32Å; P27-H29 PolarHBondContact O-N 3.34Å; P27-L30 WeakPolarHBondContact O-CB 3.29Å; P27-L30 PolarHBondContact O-N 2.9Å; P27-A31 PolarHBondContact O-N 3.12Å |
| 28 | E | 66 | Low | 79.1 | Confident | 72 Ų | 72 | 92.5 Ų | 92.5 | 34% | 0.336 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -72.5 | -25.4 | 174 | 70.7 | -112 | 77.1 | 0 | 0 | 113.3 | I8 H26 L30 A31 K32 | I8-E28 HydrophobicContact CD1-CG 3.64Å; I8-E28 WeakPolarHBondContact CD1-OE2 3.5Å; I8-E28 HydrophobicContact CG1-CG 4.23Å; I8-E28 WeakPolarHBondContact CG1-OE2 3.33Å; I8-E28 VanDerWaalsContact CG2-OE1 3.28Å; I8-E28 WeakPolarHBondContact CG2-OE1 3.41Å; I8-E28 WeakPolarHBondContact CG2-OE2 3.34Å; H26-E28 HydrophobicContact CB-CG 4.49Å; H26-E28 IonicContact CG-OE1 3.81Å; H26-E28 IonicContact ND1-OE1 3.49Å; H26-E28 PolarHBondContact ND1-OE1 3.3Å; H26-E28 PolarHBondContact O-N 3.03Å; E28-L30 VanDerWaalsContact C-N 3.33Å; E28-A31 PolarHBondContact O-N 3.18Å; E28-K32 WeakPolarHBondContact O-CB 3.15Å; E28-K32 VanDerWaalsContact O-CG 3.31Å; E28-K32 WeakPolarHBondContact O-CG 3.28Å; E28-K32 PolarHBondContact O-N 2.9Å |
| 29 | H | 67.8 | Low | 78.6 | Confident | 66 Ų | 66 | 94 Ų | 94 | 31% | 0.306 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -73.2 | -34.8 | 173.4 | -178.9 | -79.5 | 0 | 0 | 0 | 109.5 | M23 H26 P27 A31 K33 | M23-H29 WeakPolarHBondContact O-CB 3.44Å; M23-H29 VanDerWaalsContact O-CG 3.23Å; H26-H29 HydrophobicContact CB-CB 4.13Å; H26-H29 WeakPolarHBondContact O-CB 3.25Å; H26-H29 PolarHBondContact O-N 2.71Å; P27-H29 VanDerWaalsContact C-N 3.32Å; P27-H29 PolarHBondContact O-N 3.34Å; H29-A31 VanDerWaalsContact C-N 3.35Å; H29-K33 WeakPolarHBondContact O-CB 3.35Å; H29-K33 PolarHBondContact O-N 3.18Å |
| 30 | L | 63.7 | Low | 78.4 | Confident | 92 Ų | 92 | 94.8 Ų | 94.8 | 48% | 0.482 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -61.5 | -43.8 | 167.5 | -76.7 | 142.5 | 0 | 0 | 0 | 110.8 | H26 P27 E28 K33 K34 | H26-L30 PolarHBondContact O-N 2.9Å; H26-L30 VanDerWaalsContact O-N 3.11Å; P27-L30 WeakPolarHBondContact O-CB 3.29Å; P27-L30 PolarHBondContact O-N 2.9Å; E28-L30 VanDerWaalsContact C-N 3.33Å; L30-K33 PolarHBondContact O-N 3.13Å; L30-K34 WeakPolarHBondContact O-CG 3.27Å; L30-K34 PolarHBondContact O-N 3.26Å |
| 31 | A | 62.4 | Low | 78.2 | Confident | 53 Ų | 53 | 94.5 Ų | 94.5 | 44% | 0.438 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -65.3 | -41.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | P27 E28 H29 K33 K34 | P27-A31 PolarHBondContact O-N 3.12Å; E28-A31 PolarHBondContact O-N 3.18Å; H29-A31 VanDerWaalsContact C-N 3.35Å; A31-K33 PolarHBondContact O-N 3.14Å; A31-K34 VanDerWaalsContact O-CB 3.29Å; A31-K34 WeakPolarHBondContact O-CB 3.34Å; A31-K34 PolarHBondContact O-N 3.45Å |
| 32 | K | 62 | Low | 77.9 | Confident | 182 Ų | 182 | 91.4 Ų | 91.4 | 79% | 0.791 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -69.6 | -20.5 | 175.2 | -73.6 | 178.5 | -179.3 | -179.2 | 0 | 113.3 | E28 K34 | E28-K32 WeakPolarHBondContact O-CB 3.15Å; E28-K32 VanDerWaalsContact O-CG 3.31Å; E28-K32 WeakPolarHBondContact O-CG 3.28Å; E28-K32 PolarHBondContact O-N 2.9Å; K32-K34 VanDerWaalsContact C-N 3.33Å |
| 33 | K | 63.5 | Low | 77.6 | Confident | 104 Ų | 104 | 93 Ų | 93 | 45% | 0.452 | 46% | 0.462 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | 0.3 | 176 | -153.8 | 178.9 | -175.7 | -167.2 | 0 | 112.6 | H29 L30 A31 Y35 N45 | H29-K33 WeakPolarHBondContact O-CB 3.35Å; H29-K33 PolarHBondContact O-N 3.18Å; L30-K33 PolarHBondContact O-N 3.13Å; A31-K33 PolarHBondContact O-N 3.14Å; K33-Y35 WeakPolarHBondContact O-CD2 3.18Å; K33-Y35 PolarHBondContact O-N 3.31Å; K33-N45 WeakPolarHBondContact O-CA 3.4Å |
| 34 | K | 70.9 | Confident | 77.5 | Confident | 124 Ų | 124 | 92 Ų | 92 | 54% | 0.539 | 46% | 0.458 | S | S | . | . | trans | -76.8 | 109.2 | 170.4 | -70.7 | -178.5 | -171.5 | -173.7 | 0 | 108.9 | L30 A31 K32 T43 T44 | L30-K34 WeakPolarHBondContact O-CG 3.27Å; L30-K34 PolarHBondContact O-N 3.26Å; A31-K34 VanDerWaalsContact O-CB 3.29Å; A31-K34 WeakPolarHBondContact O-CB 3.34Å; A31-K34 PolarHBondContact O-N 3.45Å; K32-K34 VanDerWaalsContact C-N 3.33Å; K34-T43 HydrophobicContact CB-CG2 3.49Å; K34-T43 VanDerWaalsContact CB-CG2 3.49Å; K34-T43 HydrophobicContact CD-CG2 3.79Å; K34-T43 HydrophobicContact CG-CG2 3.89Å; K34-T44 CarbonylContact C-O 3.46Å; K34-T44 WeakPolarHBondContact CA-O 3.33Å | ||
| 35 | Y | 81.7 | Confident | 77.3 | Confident | 94 Ų | 94 | 89.9 Ų | 89.9 | 37% | 0.369 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 114.9 | 164.3 | -63.2 | -85.6 | 0 | 0 | 0 | 108 | K33 T43 T44 K47 L50 | K33-Y35 WeakPolarHBondContact O-CD2 3.18Å; K33-Y35 PolarHBondContact O-N 3.31Å; Y35-T43 WeakPolarHBondContact O-CA 3.26Å; Y35-T44 PolarHBondContact N-O 3.48Å; Y35-T44 PolarHBondContact O-N 3.34Å; Y35-K47 HydrophobicContact CD2-CB 4.48Å; Y35-K47 HydrophobicContact CE1-CB 3.99Å; Y35-K47 HydrophobicContact CE1-CG 4.09Å; Y35-K47 HydrophobicContact CE2-CB 3.98Å; Y35-L50 HydrophobicContact CD1-CD2 4.42Å; Y35-L50 HydrophobicContact CG-CD2 4.45Å |
| 36 | R | 83.6 | Confident | 77.2 | Confident | 179 Ų | 179 | 90.2 Ų | 90.2 | 68% | 0.675 | 45% | 0.448 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 138.5 | 178.1 | -163.8 | 178.7 | 104.3 | 167.6 | 4.6 | 109.7 | ||
| 37 | C | 86.2 | Confident | 77.2 | Confident | 2 Ų | 2 | 96.5 Ų | 96.5 | 1% | 0.014 | 48% | 0.475 | C | S | . | . | trans | -68.7 | 147.6 | 168.3 | -168.8 | 0 | 0 | 0 | 0 | 110.4 | D39 C40 Y42 L50 H53 | C37-D39 PolarHBondContact SG-N 2.89Å; C37-D39 VanDerWaalsContact SG-N 3.45Å; C37-C40 WeakPolarHBondContact CB-O 3.06Å; C37-Y42 WeakPolarHBondContact CB-O 3.19Å; C37-Y42 PolarHBondContact N-O 3.38Å; C37-L50 HydrophobicContact CB-CD1 4.02Å; C37-H53 VanDerWaalsContact SG-CD2 3.51Å; C37-H53 PolarHBondContact SG-NE2 3Å | ||
| 38 | T | 84.2 | Confident | 77.9 | Confident | 121 Ų | 121 | 98 Ų | 98 | 74% | 0.742 | 48% | 0.477 | S | S | * | . | S | Bend | trans | -86.1 | -27.9 | 175.7 | 39.3 | 0 | 0 | 0 | 0 | 112.1 | ||
| 39 | D | 83.4 | Confident | 79 | Confident | 109 Ų | 109 | 96.5 Ų | 96.5 | 58% | 0.583 | 47% | 0.474 | S | S | * | . | S | Bend | trans | -97.6 | -11.3 | -171.2 | -54.4 | -94.9 | 0 | 0 | 0 | 112.6 | C37 | C37-D39 PolarHBondContact SG-N 2.89Å; C37-D39 VanDerWaalsContact SG-N 3.45Å |
| 40 | C | 86.9 | Confident | 80 | Confident | 47 Ų | 47 | 94.5 Ų | 94.5 | 32% | 0.318 | 47% | 0.466 | S | S | . | . | S | Bend | trans | -158.7 | 177.2 | 173.1 | 71.3 | 0 | 0 | 0 | 0 | 112.5 | C37 Y42 H53 H57 | C37-C40 WeakPolarHBondContact CB-O 3.06Å; C40-Y42 PolarHBondContact O-N 3.26Å; C40-Y42 VanDerWaalsContact O-N 3.1Å; C40-Y42 WeakPolarHBondContact SG-CB 3.4Å; C40-H53 VanDerWaalsContact SG-CE1 3.5Å; C40-H53 PolarHBondContact SG-NE2 3.29Å; C40-H57 PolarHBondContact SG-NE2 3.2Å; C40-H57 VanDerWaalsContact SG-NE2 3.36Å |
| 41 | D | 84.6 | Confident | 81.2 | Confident | 147 Ų | 147 | 95.3 Ų | 95.3 | 79% | 0.786 | 47% | 0.467 | S | S | * | . | S | Bend | trans | -73.8 | 7.2 | 179.2 | -68.1 | -79 | 0 | 0 | 0 | 115.1 | T43 | D41-T43 PolarHBondContact O-N 3.45Å; D41-T43 PolarHBondContact O-OG1 3.21Å |
| 42 | Y | 84.2 | Confident | 82.5 | Confident | 93 Ų | 93 | 97.2 Ų | 97.2 | 37% | 0.365 | 47% | 0.47 | S | S | . | . | trans | -63.5 | 130.2 | 178.5 | -177.3 | -98 | 0 | 0 | 0 | 111.6 | C37 C40 T44 H53 | C37-Y42 WeakPolarHBondContact CB-O 3.19Å; C37-Y42 PolarHBondContact N-O 3.38Å; C40-Y42 PolarHBondContact O-N 3.26Å; C40-Y42 VanDerWaalsContact O-N 3.1Å; C40-Y42 WeakPolarHBondContact SG-CB 3.4Å; Y42-T44 HydrophobicContact CE1-CG2 3.74Å; Y42-H53 VanDerWaalsContact CB-CE1 3.42Å; Y42-H53 WeakPolarHBondContact CB-CE1 3.41Å; Y42-H53 WeakPolarHBondContact CB-NE2 3.41Å; Y42-H53 HydrophobicContact CD1-CB 4.01Å; Y42-H53 AromaticContact CD1-CD2 3.51Å; Y42-H53 AromaticContact CD1-CE1 3.88Å; Y42-H53 AromaticContact CD1-CG 3.45Å; Y42-H53 VanDerWaalsContact CD1-CG 3.45Å; Y42-H53 AromaticContact CD1-ND1 3.7Å; Y42-H53 AromaticContact CD1-NE2 3.75Å; Y42-H53 HydrophobicContact CE1-CB 3.84Å; Y42-H53 AromaticContact CE1-CG 3.79Å; Y42-H53 AromaticContact CG-CD2 3.98Å; Y42-H53 AromaticContact CG-CE1 3.57Å; Y42-H53 AromaticContact CG-CG 3.92Å; Y42-H53 AromaticContact CG-ND1 3.67Å; Y42-H53 AromaticContact CG-NE2 3.74Å | ||
| 43 | T | 84.7 | Confident | 83.9 | Confident | 63 Ų | 63 | 90.2 Ų | 90.2 | 39% | 0.387 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 131.5 | -177.5 | -58 | 0 | 0 | 0 | 0 | 110.5 | K34 Y35 D41 | K34-T43 HydrophobicContact CB-CG2 3.49Å; K34-T43 VanDerWaalsContact CB-CG2 3.49Å; K34-T43 HydrophobicContact CD-CG2 3.79Å; K34-T43 HydrophobicContact CG-CG2 3.89Å; Y35-T43 WeakPolarHBondContact O-CA 3.26Å; D41-T43 PolarHBondContact O-N 3.45Å; D41-T43 PolarHBondContact O-OG1 3.21Å |
| 44 | T | 84.4 | Confident | 85.1 | Confident | 17 Ų | 17 | 87.6 Ų | 87.6 | 10% | 0.104 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 151.8 | -177.5 | -177.3 | 0 | 0 | 0 | 0 | 112.7 | K34 Y35 Y42 K46 S49 L50 | K34-T44 CarbonylContact C-O 3.46Å; K34-T44 WeakPolarHBondContact CA-O 3.33Å; Y35-T44 PolarHBondContact N-O 3.48Å; Y35-T44 PolarHBondContact O-N 3.34Å; Y42-T44 HydrophobicContact CE1-CG2 3.74Å; T44-K46 VanDerWaalsContact C-N 3.32Å; T44-K46 WeakPolarHBondContact CG2-O 3.42Å; T44-K46 PolarHBondContact OG1-N 3.48Å; T44-S49 WeakPolarHBondContact OG1-CB 3.36Å; T44-L50 HydrophobicContact CG2-CB 3.79Å |
| 45 | N | 81.3 | Confident | 85.9 | Confident | 86 Ų | 86 | 86.2 Ų | 86.2 | 46% | 0.46 | 43% | 0.426 | S | S | . | . | S | Bend | trans | -87.6 | 2.6 | 178.4 | 63.4 | 56 | 0 | 0 | 0 | 114.4 | K33 | K33-N45 WeakPolarHBondContact O-CA 3.4Š|
| 46 | K | 82.9 | Confident | 86.1 | Confident | 130 Ų | 130 | 84.9 Ų | 84.9 | 57% | 0.565 | 43% | 0.43 | S | S | * | . | trans | -122.4 | 129.6 | -178.5 | -60.2 | -179.1 | -175.1 | 173.6 | 0 | 111.3 | T44 I48 S49 L50 | T44-K46 VanDerWaalsContact C-N 3.32Å; T44-K46 WeakPolarHBondContact CG2-O 3.42Å; T44-K46 PolarHBondContact OG1-N 3.48Å; K46-I48 VanDerWaalsContact C-N 3.33Å; K46-I48 PolarHBondContact O-N 3.34Å; K46-S49 PolarHBondContact O-N 3.11Å; K46-L50 PolarHBondContact O-N 3.22Å | ||
| 47 | K | 83.5 | Confident | 86.2 | Confident | 151 Ų | 151 | 78.3 Ų | 78.3 | 66% | 0.657 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -59 | -42.6 | 176.8 | -170.1 | 178.9 | 178.3 | -177 | 0 | 112.4 | Y35 S49 L50 H51 | Y35-K47 HydrophobicContact CD2-CB 4.48Å; Y35-K47 HydrophobicContact CE1-CB 3.99Å; Y35-K47 HydrophobicContact CE1-CG 4.09Å; Y35-K47 HydrophobicContact CE2-CB 3.98Å; K47-S49 VanDerWaalsContact C-N 3.32Å; K47-S49 PolarHBondContact O-N 3.35Å; K47-L50 PolarHBondContact O-N 3.49Å; K47-H51 PolarHBondContact O-N 3.44Å |
| 48 | I | 87.4 | Confident | 85.8 | Confident | 127 Ų | 127 | 85.3 Ų | 85.3 | 65% | 0.651 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -61.8 | -41.8 | 179.6 | -63.2 | 164.6 | 0 | 0 | 0 | 110.8 | K46 L50 H51 N52 | K46-I48 VanDerWaalsContact C-N 3.33Å; K46-I48 PolarHBondContact O-N 3.34Å; I48-L50 VanDerWaalsContact C-N 3.33Å; I48-L50 PolarHBondContact O-N 3.34Å; I48-H51 PolarHBondContact O-N 3.01Å; I48-N52 PolarHBondContact O-N 3.27Å; I48-N52 PolarHBondContact O-OD1 3.01Å |
| 49 | S | 89.3 | Confident | 85.1 | Confident | 39 Ų | 39 | 86.5 Ų | 86.5 | 27% | 0.273 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -65 | -36.9 | 177.3 | -59 | 0 | 0 | 0 | 0 | 112.3 | T44 K46 K47 H53 | T44-S49 WeakPolarHBondContact OG1-CB 3.36Å; K46-S49 PolarHBondContact O-N 3.11Å; K47-S49 VanDerWaalsContact C-N 3.32Å; K47-S49 PolarHBondContact O-N 3.35Å; S49-H53 VanDerWaalsContact O-CB 3.25Å; S49-H53 WeakPolarHBondContact O-CB 3.33Å; S49-H53 PolarHBondContact O-N 3.23Å; S49-H53 VanDerWaalsContact O-N 3.12Å |
| 50 | L | 89.8 | Confident | 83.9 | Confident | 24 Ų | 24 | 85 Ų | 85 | 13% | 0.126 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -66.3 | -42.2 | 173.3 | 178.2 | 65.3 | 0 | 0 | 0 | 110.5 | Y35 C37 T44 K46 K47 I48 H53 L54 | Y35-L50 HydrophobicContact CD1-CD2 4.42Å; Y35-L50 HydrophobicContact CG-CD2 4.45Å; C37-L50 HydrophobicContact CB-CD1 4.02Å; T44-L50 HydrophobicContact CG2-CB 3.79Å; K46-L50 PolarHBondContact O-N 3.22Å; K47-L50 PolarHBondContact O-N 3.49Å; I48-L50 VanDerWaalsContact C-N 3.33Å; I48-L50 PolarHBondContact O-N 3.34Å; L50-H53 WeakPolarHBondContact O-CB 3.17Å; L50-H53 PolarHBondContact O-N 3.47Å; L50-L54 HydrophobicContact CD1-CD1 4.37Å; L50-L54 HydrophobicContact CD1-CG 4.21Å; L50-L54 HydrophobicContact CD2-CD1 4.4Å; L50-L54 HydrophobicContact CG-CD1 4.01Å; L50-L54 HydrophobicContact CG-CG 4.3Å; L50-L54 WeakPolarHBondContact O-CG 3.39Å; L50-L54 PolarHBondContact O-N 2.79Å |
| 51 | H | 89.3 | Confident | 82.4 | Confident | 109 Ų | 109 | 86.1 Ų | 86.1 | 51% | 0.505 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -60.8 | -51.7 | -179.3 | -170.1 | 59.9 | 0 | 0 | 0 | 112 | K47 I48 H53 L54 E55 | K47-H51 PolarHBondContact O-N 3.44Å; I48-H51 PolarHBondContact O-N 3.01Å; H51-H53 PolarHBondContact O-N 3.47Å; H51-L54 WeakPolarHBondContact O-CB 3.2Å; H51-L54 PolarHBondContact O-N 3.11Å; H51-L54 VanDerWaalsContact O-N 3.09Å; H51-E55 PolarHBondContact O-N 3.36Å |
| 52 | N | 89.7 | Confident | 80.9 | Confident | 94 Ų | 94 | 87.6 Ų | 87.6 | 50% | 0.503 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -60.9 | -36 | 177.3 | -63.8 | 8 | 0 | 0 | 0 | 111.6 | I48 E55 S56 | I48-N52 PolarHBondContact O-N 3.27Å; I48-N52 PolarHBondContact O-OD1 3.01Å; N52-E55 PolarHBondContact O-N 3.15Å; N52-S56 PolarHBondContact O-N 2.88Å; N52-S56 VanDerWaalsContact O-N 3.14Å |
| 53 | H | 90.1 | Very high | 79.2 | Confident | 35 Ų | 35 | 86.6 Ų | 86.6 | 16% | 0.162 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -64.1 | -43.5 | 174.5 | 170.1 | 78 | 0 | 0 | 0 | 112.2 | C37 C40 Y42 S49 L50 H51 E55 S56 H57 | C37-H53 VanDerWaalsContact SG-CD2 3.51Å; C37-H53 PolarHBondContact SG-NE2 3Å; C40-H53 VanDerWaalsContact SG-CE1 3.5Å; C40-H53 PolarHBondContact SG-NE2 3.29Å; Y42-H53 VanDerWaalsContact CB-CE1 3.42Å; Y42-H53 WeakPolarHBondContact CB-CE1 3.41Å; Y42-H53 WeakPolarHBondContact CB-NE2 3.41Å; Y42-H53 HydrophobicContact CD1-CB 4.01Å; Y42-H53 AromaticContact CD1-CD2 3.51Å; Y42-H53 AromaticContact CD1-CE1 3.88Å; Y42-H53 AromaticContact CD1-CG 3.45Å; Y42-H53 VanDerWaalsContact CD1-CG 3.45Å; Y42-H53 AromaticContact CD1-ND1 3.7Å; Y42-H53 AromaticContact CD1-NE2 3.75Å; Y42-H53 HydrophobicContact CE1-CB 3.84Å; Y42-H53 AromaticContact CE1-CG 3.79Å; Y42-H53 AromaticContact CG-CD2 3.98Å; Y42-H53 AromaticContact CG-CE1 3.57Å; Y42-H53 AromaticContact CG-CG 3.92Å; Y42-H53 AromaticContact CG-ND1 3.67Å; Y42-H53 AromaticContact CG-NE2 3.74Å; S49-H53 VanDerWaalsContact O-CB 3.25Å; S49-H53 WeakPolarHBondContact O-CB 3.33Å; S49-H53 PolarHBondContact O-N 3.23Å; S49-H53 VanDerWaalsContact O-N 3.12Å; L50-H53 WeakPolarHBondContact O-CB 3.17Å; L50-H53 PolarHBondContact O-N 3.47Å; H51-H53 PolarHBondContact O-N 3.47Å; H53-E55 VanDerWaalsContact C-N 3.28Å; H53-E55 PolarHBondContact O-N 3.4Å; H53-S56 VanDerWaalsContact O-CB 3.27Å; H53-S56 WeakPolarHBondContact O-CB 3.46Å; H53-S56 PolarHBondContact O-N 3.07Å; H53-S56 VanDerWaalsContact O-N 3.13Å; H53-H57 AromaticContact CD2-CD2 3.81Å; H53-H57 AromaticContact CD2-NE2 3.8Å; H53-H57 AromaticContact CE1-CD2 3.88Å; H53-H57 AromaticContact CE1-NE2 3.26Å; H53-H57 PolarHBondContact CE1-NE2 2.89Å; H53-H57 VanDerWaalsContact CE1-NE2 3.26Å; H53-H57 AromaticContact NE2-CD2 3.38Å; H53-H57 PolarHBondContact NE2-CD2 2.92Å; H53-H57 AromaticContact NE2-NE2 2.9Å; H53-H57 PolarHBondContact NE2-NE2 3.42Å; H53-H57 PolarHBondContact O-N 3.27Å |
| 54 | L | 88.4 | Confident | 77.4 | Confident | 49 Ų | 49 | 91.4 Ų | 91.4 | 26% | 0.257 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -64.3 | -32.4 | 175.1 | -68.5 | 170.2 | 0 | 0 | 0 | 112.1 | L50 H51 S56 H57 K58 | L50-L54 HydrophobicContact CD1-CD1 4.37Å; L50-L54 HydrophobicContact CD1-CG 4.21Å; L50-L54 HydrophobicContact CD2-CD1 4.4Å; L50-L54 HydrophobicContact CG-CD1 4.01Å; L50-L54 HydrophobicContact CG-CG 4.3Å; L50-L54 WeakPolarHBondContact O-CG 3.39Å; L50-L54 PolarHBondContact O-N 2.79Å; H51-L54 WeakPolarHBondContact O-CB 3.2Å; H51-L54 PolarHBondContact O-N 3.11Å; H51-L54 VanDerWaalsContact O-N 3.09Å; L54-S56 VanDerWaalsContact C-N 3.33Å; L54-H57 WeakPolarHBondContact O-CB 3.43Å; L54-H57 PolarHBondContact O-N 2.94Å; L54-K58 PolarHBondContact O-N 3.46Å |
| 55 | E | 89.1 | Confident | 75.5 | Confident | 95 Ų | 95 | 99.8 Ų | 99.8 | 44% | 0.444 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.4 | -37 | 172.1 | -66.5 | -163.6 | 106.2 | 0 | 0 | 112.4 | H51 N52 H53 H57 K58 L59 | H51-E55 PolarHBondContact O-N 3.36Å; N52-E55 PolarHBondContact O-N 3.15Å; H53-E55 VanDerWaalsContact C-N 3.28Å; H53-E55 PolarHBondContact O-N 3.4Å; E55-H57 VanDerWaalsContact C-N 3.27Å; E55-H57 PolarHBondContact O-N 3.26Å; E55-K58 WeakPolarHBondContact O-CB 3.3Å; E55-K58 PolarHBondContact O-N 3.16Å; E55-K58 VanDerWaalsContact O-N 3.11Å; E55-L59 PolarHBondContact O-N 3.34Å |
| 56 | S | 85.4 | Confident | 73.9 | Confident | 65 Ų | 65 | 99.5 Ų | 99.5 | 46% | 0.455 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.4 | -38.5 | 172.6 | -170.4 | 0 | 0 | 0 | 0 | 112.1 | N52 H53 L54 K58 L59 T60 | N52-S56 PolarHBondContact O-N 2.88Å; N52-S56 VanDerWaalsContact O-N 3.14Å; H53-S56 VanDerWaalsContact O-CB 3.27Å; H53-S56 WeakPolarHBondContact O-CB 3.46Å; H53-S56 PolarHBondContact O-N 3.07Å; H53-S56 VanDerWaalsContact O-N 3.13Å; L54-S56 VanDerWaalsContact C-N 3.33Å; S56-K58 VanDerWaalsContact C-N 3.3Å; S56-K58 PolarHBondContact O-N 3.29Å; S56-L59 PolarHBondContact O-N 3.33Å; S56-T60 PolarHBondContact O-N 3.41Å; S56-T60 PolarHBondContact O-OG1 3.33Å |
| 57 | H | 84.6 | Confident | 72.5 | Confident | 42 Ų | 42 | 100.5 Ų | 100.5 | 19% | 0.194 | 52% | 0.524 | C | S | . | . | H | α-helix | trans | -65 | -31.7 | 175.8 | -77.5 | -57 | 0 | 0 | 0 | 113.3 | C40 H53 L54 E55 L59 T60 S61 | C40-H57 PolarHBondContact SG-NE2 3.2Å; C40-H57 VanDerWaalsContact SG-NE2 3.36Å; H53-H57 AromaticContact CD2-CD2 3.81Å; H53-H57 AromaticContact CD2-NE2 3.8Å; H53-H57 AromaticContact CE1-CD2 3.88Å; H53-H57 AromaticContact CE1-NE2 3.26Å; H53-H57 PolarHBondContact CE1-NE2 2.89Å; H53-H57 VanDerWaalsContact CE1-NE2 3.26Å; H53-H57 AromaticContact NE2-CD2 3.38Å; H53-H57 PolarHBondContact NE2-CD2 2.92Å; H53-H57 AromaticContact NE2-NE2 2.9Å; H53-H57 PolarHBondContact NE2-NE2 3.42Å; H53-H57 PolarHBondContact O-N 3.27Å; L54-H57 WeakPolarHBondContact O-CB 3.43Å; L54-H57 PolarHBondContact O-N 2.94Å; E55-H57 VanDerWaalsContact C-N 3.27Å; E55-H57 PolarHBondContact O-N 3.26Å; H57-L59 VanDerWaalsContact C-N 3.32Å; H57-T60 WeakPolarHBondContact CA-OG1 3.45Å; H57-T60 PolarHBondContact O-N 3.16Å; H57-T60 PolarHBondContact O-OG1 3.48Å; H57-T60 VanDerWaalsContact O-OG1 3.1Å; H57-S61 WeakPolarHBondContact O-CB 3.05Å; H57-S61 PolarHBondContact O-N 3.46Å; H57-S61 PolarHBondContact O-OG 2.92Å |
| 58 | K | 79.1 | Confident | 70.5 | Confident | 149 Ų | 149 | 105.6 Ų | 105.6 | 65% | 0.648 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -69.6 | -32.7 | 176.4 | -65.9 | 179.1 | -178 | -176.3 | 0 | 112.2 | L54 E55 S56 | L54-K58 PolarHBondContact O-N 3.46Å; E55-K58 WeakPolarHBondContact O-CB 3.3Å; E55-K58 PolarHBondContact O-N 3.16Å; E55-K58 VanDerWaalsContact O-N 3.11Å; S56-K58 VanDerWaalsContact C-N 3.3Å; S56-K58 PolarHBondContact O-N 3.29Å |
| 59 | L | 69.1 | Low | 69.7 | Low | 145 Ų | 145 | 104.6 Ų | 104.6 | 76% | 0.759 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -73.2 | -34.9 | 177.3 | -62.3 | 173.8 | 0 | 0 | 0 | 111.5 | E55 S56 H57 | E55-L59 PolarHBondContact O-N 3.34Å; S56-L59 PolarHBondContact O-N 3.33Å; H57-L59 VanDerWaalsContact C-N 3.32Å |
| 60 | T | 59 | Low | 68.6 | Low | 78 Ų | 78 | 108 Ų | 108 | 48% | 0.479 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -83.1 | -33.8 | 177.4 | 54.9 | 0 | 0 | 0 | 0 | 113.4 | S56 H57 K62 A63 | S56-T60 PolarHBondContact O-N 3.41Å; S56-T60 PolarHBondContact O-OG1 3.33Å; H57-T60 WeakPolarHBondContact CA-OG1 3.45Å; H57-T60 PolarHBondContact O-N 3.16Å; H57-T60 PolarHBondContact O-OG1 3.48Å; H57-T60 VanDerWaalsContact O-OG1 3.1Å; T60-K62 PolarHBondContact O-N 3.31Å; T60-K62 VanDerWaalsContact O-N 3.12Å; T60-A63 WeakPolarHBondContact O-CB 3.42Å; T60-A63 PolarHBondContact O-N 2.91Å |
| 61 | S | 55.3 | Low | 67.5 | Low | 70 Ų | 70 | 112.7 Ų | 112.7 | 49% | 0.49 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -63.3 | -18.6 | 178.8 | -69.9 | 0 | 0 | 0 | 0 | 113.9 | H57 A63 | H57-S61 WeakPolarHBondContact O-CB 3.05Å; H57-S61 PolarHBondContact O-N 3.46Å; H57-S61 PolarHBondContact O-OG 2.92Å; S61-A63 VanDerWaalsContact C-N 3.26Å; S61-A63 PolarHBondContact O-N 3.06Å |
| 62 | K | 51.5 | Low | 66.2 | Low | 179 Ų | 179 | 112.9 Ų | 112.9 | 78% | 0.778 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -74.4 | -17.3 | 173.9 | -157.1 | 174.4 | -178.6 | 179.6 | 0 | 112.6 | T60 | T60-K62 PolarHBondContact O-N 3.31Å; T60-K62 VanDerWaalsContact O-N 3.12Å |
| 63 | A | 48.6 | Very low | 64.7 | Low | 71 Ų | 71 | 114.1 Ų | 114.1 | 59% | 0.587 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -86.3 | -30.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | T60 S61 | T60-A63 WeakPolarHBondContact O-CB 3.42Å; T60-A63 PolarHBondContact O-N 2.91Å; S61-A63 VanDerWaalsContact C-N 3.26Å; S61-A63 PolarHBondContact O-N 3.06Å |
| 64 | E | 46.7 | Very low | 63 | Low | 165 Ų | 165 | 119.3 Ų | 119.3 | 77% | 0.771 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -86.5 | -17.9 | 178.6 | -74.4 | -135.1 | 100.1 | 0 | 0 | 114.2 | A66 | E64-A66 PolarHBondContact O-N 3.19Å |
| 65 | K | 46.2 | Very low | 61.2 | Low | 193 Ų | 193 | 124.4 Ų | 124.4 | 84% | 0.839 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.2 | 6.4 | 172.1 | -96.5 | -160.9 | 176.9 | -153 | 0 | 114.8 | ||
| 66 | A | 47.6 | Very low | 59.1 | Low | 80 Ų | 80 | 126.6 Ų | 126.6 | 66% | 0.661 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.6 | 11.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | E64 | E64-A66 PolarHBondContact O-N 3.19Š|
| 67 | I | 52 | Low | 56.9 | Low | 150 Ų | 150 | 131.8 Ų | 131.8 | 77% | 0.769 | 68% | 0.682 | S | S | * | * | trans | -121.6 | 59.8 | 170.8 | -44.8 | 179.6 | 0 | 0 | 0 | 108.5 | ||||
| 68 | E | 42.9 | Very low | 54.4 | Low | 259 Ų | 259 | 139.9 Ų | 139.9 | 100% | 1.21 | 73% | 0.726 | S | S | * | * | trans | -144.4 | 0 | 149 | -171.5 | 171.1 | 76.4 | 0 | 0 | 108.4 |
Retrieved 68 of 68 residues in 132.8 ms
(Link to these results)