| 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 | K | 61.3 | Low | 84.7 | Confident | 261 Ų | 261 | 80.1 Ų | 80.1 | 100% | 1.135 | 41% | 0.413 | S | S | * | . | 0 | 124.1 | 0 | -73.8 | 179.9 | 175.3 | 174.5 | 0 | 107.5 | |||||
| 2 | G | 70.1 | Confident | 85.3 | Confident | 27 Ų | 27 | 82.7 Ų | 82.7 | 28% | 0.278 | 44% | 0.439 | S | S | . | . | trans | -134.5 | 178.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | Y4 | G2-Y4 WeakPolarHBondContact O-CD2 3.46Å; G2-Y4 WeakPolarHBondContact O-CE2 3.32Å; G2-Y4 PolarHBondContact O-N 2.67Å | ||
| 3 | P | 83.8 | Confident | 85.8 | Confident | 44 Ų | 44 | 81.4 Ų | 81.4 | 29% | 0.286 | 44% | 0.436 | S | S | . | . | trans | -71.7 | 124.3 | -178.4 | 31.4 | -35.1 | 0 | 0 | 0 | 109.6 | A20 I41 L43 | P3-A20 HydrophobicContact CG-CB 4.16Å; P3-A20 VanDerWaalsContact O-CB 3.28Å; P3-A20 WeakPolarHBondContact O-CB 3.35Å; P3-A20 PolarHBondContact O-N 3Å; P3-I41 HydrophobicContact CB-CG2 4.2Å; P3-L43 HydrophobicContact CB-CD2 3.6Å; P3-L43 HydrophobicContact CB-CG 4.5Å; P3-L43 HydrophobicContact CG-CD2 4.06Å | ||
| 4 | Y | 87.6 | Confident | 86.2 | Confident | 68 Ų | 68 | 78.2 Ų | 78.2 | 27% | 0.267 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 154.4 | 175 | -70.5 | -91.2 | 0 | 0 | 0 | 109.6 | G2 I17 Q18 H19 H27 | G2-Y4 WeakPolarHBondContact O-CD2 3.46Å; G2-Y4 WeakPolarHBondContact O-CE2 3.32Å; G2-Y4 PolarHBondContact O-N 2.67Å; Y4-I17 HydrophobicContact CD1-CB 4.38Å; Y4-I17 HydrophobicContact CD1-CD1 3.71Å; Y4-I17 HydrophobicContact CD1-CG1 4.09Å; Y4-I17 HydrophobicContact CD2-CD1 4.38Å; Y4-I17 HydrophobicContact CE1-CD1 4.26Å; Y4-I17 HydrophobicContact CG-CD1 3.79Å; Y4-I17 HydrophobicContact CG-CG1 4.49Å; Y4-Q18 WeakPolarHBondContact CA-O 3.42Å; Y4-H19 HydrophobicContact CD1-CB 4.04Å; Y4-H19 HydrophobicContact CE1-CB 3.8Å; Y4-H19 AromaticContact CE1-CD2 3.93Å; Y4-H19 AromaticContact CZ-CD2 3.84Å; Y4-H27 AromaticContact CE1-CD2 3.78Å |
| 5 | R | 87.6 | Confident | 86.6 | Confident | 47 Ų | 47 | 76.3 Ų | 76.3 | 18% | 0.177 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 138.9 | 171.7 | -66.4 | -171.2 | -179.5 | 176.4 | 9.6 | 110.5 | T7 I17 Q18 L43 P44 | R5-T7 PolarHBondContact O-N 2.93Å; R5-I17 CarbonylContact O-C 3.59Å; R5-I17 WeakPolarHBondContact O-CA 3.29Å; R5-Q18 PolarHBondContact N-O 3.07Å; R5-Q18 PolarHBondContact O-N 2.86Å; R5-L43 HydrophobicContact CG-CD1 4.2Å; R5-L43 HydrophobicContact CG-CD2 4.28Å; R5-P44 PolarHBondContact NH1-O 3.24Å; R5-P44 PolarHBondContact NH2-O 3.18Å |
| 6 | I | 90.1 | Very high | 86.9 | Confident | 98 Ų | 98 | 78.3 Ų | 78.3 | 50% | 0.503 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 124.5 | 168.8 | -60 | 170.4 | 0 | 0 | 0 | 107.6 | Y15 I17 L34 | I6-Y15 HydrophobicContact CD1-CD1 4.04Å; I6-Y15 HydrophobicContact CD1-CE1 4.39Å; I6-Y15 HydrophobicContact CD1-CG 4.29Å; I6-Y15 HydrophobicContact CG1-CD1 4.46Å; I6-Y15 HydrophobicContact CG2-CD1 3.77Å; I6-Y15 HydrophobicContact CG2-CG 4.38Å; I6-I17 HydrophobicContact CG1-CG2 4.09Å; I6-L34 HydrophobicContact CD1-CD1 4.39Å |
| 7 | T | 89.7 | Confident | 87.2 | Confident | 56 Ų | 56 | 74.1 Ų | 74.1 | 34% | 0.344 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | -26.7 | 178.5 | 60.6 | 0 | 0 | 0 | 0 | 112.6 | R5 R16 Q18 | R5-T7 PolarHBondContact O-N 2.93Å; T7-R16 PolarHBondContact N-O 2.69Å; T7-R16 PolarHBondContact OG1-NE 2.84Å; T7-R16 PolarHBondContact OG1-O 3.36Å; T7-Q18 HydrophobicContact CG2-CB 3.41Å; T7-Q18 VanDerWaalsContact CG2-CB 3.41Å; T7-Q18 HydrophobicContact CG2-CG 4.46Å |
| 8 | A | 88.3 | Confident | 87.3 | Confident | 29 Ų | 29 | 72.3 Ų | 72.3 | 24% | 0.24 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.1 | 146.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | L10 R16 | A8-L10 HydrophobicContact CB-CD2 4.38Å; A8-R16 HydrophobicContact CB-CB 4.2Å; A8-R16 PolarHBondContact N-O 2.72Å; A8-R16 PolarHBondContact O-N 2.8Å |
| 9 | Q | 93 | Very high | 87.3 | Confident | 117 Ų | 117 | 69.7 Ų | 69.7 | 55% | 0.547 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 122 | 165.3 | -176.5 | 170.4 | 8.7 | 0 | 0 | 107.5 | S11 Y15 | Q9-S11 WeakPolarHBondContact CG-O 3.49Å; Q9-S11 PolarHBondContact NE2-O 2.87Å; Q9-Y15 HydrophobicContact CB-CD1 3.92Å; Q9-Y15 HydrophobicContact CB-CE1 3.97Å; Q9-Y15 HydrophobicContact CG-CD1 3.85Å; Q9-Y15 HydrophobicContact CG-CE1 3.55Å |
| 10 | L | 89.9 | Confident | 87.1 | Confident | 96 Ų | 96 | 67.8 Ų | 67.8 | 50% | 0.503 | 36% | 0.355 | S | S | . | . | trans | -97 | -29.7 | -177 | -60 | -179.7 | 0 | 0 | 0 | 111.4 | A8 T14 R16 V28 | A8-L10 HydrophobicContact CB-CD2 4.38Å; L10-T14 PolarHBondContact N-O 2.94Å; L10-R16 HydrophobicContact CD1-CB 4.31Å; L10-R16 HydrophobicContact CG-CB 4.39Å; L10-V28 HydrophobicContact CD1-CB 4.38Å; L10-V28 HydrophobicContact CD1-CG1 3.73Å; L10-V28 HydrophobicContact CD1-CG2 3.69Å | ||
| 11 | S | 90 | Very high | 86.9 | Confident | 38 Ų | 38 | 73.5 Ų | 73.5 | 27% | 0.266 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -149 | 175.5 | 171 | 88 | 0 | 0 | 0 | 0 | 109.7 | Q9 V13 T14 | Q9-S11 WeakPolarHBondContact CG-O 3.49Å; Q9-S11 PolarHBondContact NE2-O 2.87Å; S11-V13 PolarHBondContact O-N 3.06Å; S11-V13 PolarHBondContact OG-N 3.16Å; S11-T14 WeakPolarHBondContact CB-OG1 3.37Å; S11-T14 PolarHBondContact N-O 2.84Å; S11-T14 PolarHBondContact N-OG1 2.94Å; S11-T14 PolarHBondContact O-N 3.07Å; S11-T14 PolarHBondContact OG-N 3.15Å; S11-T14 PolarHBondContact OG-OG1 2.92Å |
| 12 | P | 92.2 | Very high | 87.9 | Confident | 111 Ų | 111 | 69.2 Ų | 69.2 | 72% | 0.721 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -52.8 | -27.7 | 173.4 | -27.7 | 36.5 | 0 | 0 | 0 | 113.7 | ||
| 13 | V | 92 | Very high | 88.5 | Confident | 66 Ų | 66 | 75.8 Ų | 75.8 | 40% | 0.4 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -120.2 | -3.2 | -174.5 | -61.6 | 0 | 0 | 0 | 0 | 113.9 | S11 H30 A31 | S11-V13 PolarHBondContact O-N 3.06Å; S11-V13 PolarHBondContact OG-N 3.16Å; V13-H30 WeakPolarHBondContact CB-NE2 3.07Å; V13-H30 VanDerWaalsContact CG2-NE2 3.32Å; V13-H30 WeakPolarHBondContact CG2-NE2 3.44Å; V13-H30 CarbonylContact O-C 3.58Å; V13-H30 VanDerWaalsContact O-CA 3.28Å; V13-H30 WeakPolarHBondContact O-CA 3.42Å; V13-H30 PolarHBondContact O-CD2 3.1Å; V13-A31 PolarHBondContact O-N 2.94Å |
| 14 | T | 91.4 | Very high | 88.6 | Confident | 37 Ų | 37 | 85.7 Ų | 85.7 | 23% | 0.227 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 133.7 | 179.2 | 66.6 | 0 | 0 | 0 | 0 | 112.6 | L10 S11 V29 | L10-T14 PolarHBondContact N-O 2.94Å; S11-T14 WeakPolarHBondContact CB-OG1 3.37Å; S11-T14 PolarHBondContact N-O 2.84Å; S11-T14 PolarHBondContact N-OG1 2.94Å; S11-T14 PolarHBondContact O-N 3.07Å; S11-T14 PolarHBondContact OG-N 3.15Å; S11-T14 PolarHBondContact OG-OG1 2.92Å; T14-V29 WeakPolarHBondContact CA-O 3.28Å |
| 15 | Y | 92.5 | Very high | 88.5 | Confident | 49 Ų | 49 | 84.6 Ų | 84.6 | 19% | 0.192 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 140.7 | -177.5 | -59.5 | -83.5 | 0 | 0 | 0 | 110.5 | I6 Q9 V28 V29 A31 L34 | I6-Y15 HydrophobicContact CD1-CD1 4.04Å; I6-Y15 HydrophobicContact CD1-CE1 4.39Å; I6-Y15 HydrophobicContact CD1-CG 4.29Å; I6-Y15 HydrophobicContact CG1-CD1 4.46Å; I6-Y15 HydrophobicContact CG2-CD1 3.77Å; I6-Y15 HydrophobicContact CG2-CG 4.38Å; Q9-Y15 HydrophobicContact CB-CD1 3.92Å; Q9-Y15 HydrophobicContact CB-CE1 3.97Å; Q9-Y15 HydrophobicContact CG-CD1 3.85Å; Q9-Y15 HydrophobicContact CG-CE1 3.55Å; Y15-V28 CarbonylContact O-C 3.48Å; Y15-V28 WeakPolarHBondContact O-CA 3.38Å; Y15-V29 PolarHBondContact N-O 2.75Å; Y15-V29 PolarHBondContact O-N 2.98Å; Y15-A31 HydrophobicContact CE2-CB 4.11Å; Y15-L34 HydrophobicContact CD2-CD1 3.55Å; Y15-L34 HydrophobicContact CE2-CD1 4.19Å; Y15-L34 HydrophobicContact CG-CD1 4.09Å |
| 16 | R | 91 | Very high | 88.6 | Confident | 108 Ų | 108 | 85.4 Ų | 85.4 | 41% | 0.408 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 112.8 | 165.8 | -169.5 | 177.5 | 71.7 | -164.6 | -1.3 | 108.9 | T7 A8 L10 V26 H27 V28 | T7-R16 PolarHBondContact N-O 2.69Å; T7-R16 PolarHBondContact OG1-NE 2.84Å; T7-R16 PolarHBondContact OG1-O 3.36Å; A8-R16 HydrophobicContact CB-CB 4.2Å; A8-R16 PolarHBondContact N-O 2.72Å; A8-R16 PolarHBondContact O-N 2.8Å; L10-R16 HydrophobicContact CD1-CB 4.31Å; L10-R16 HydrophobicContact CG-CB 4.39Å; R16-V26 HydrophobicContact CG-CG1 3.56Å; R16-H27 CarbonylContact C-O 3.43Å; R16-H27 WeakPolarHBondContact CA-O 3.5Å; R16-V28 HydrophobicContact CB-CG2 4.43Å; R16-V28 HydrophobicContact CG-CG2 4.31Å |
| 17 | I | 91.4 | Very high | 88.7 | Confident | 8 Ų | 8 | 83.4 Ų | 83.4 | 4% | 0.041 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 149.5 | 178.2 | 61.6 | 169.6 | 0 | 0 | 0 | 112.2 | Y4 R5 I6 V26 H27 V29 L34 | Y4-I17 HydrophobicContact CD1-CB 4.38Å; Y4-I17 HydrophobicContact CD1-CD1 3.71Å; Y4-I17 HydrophobicContact CD1-CG1 4.09Å; Y4-I17 HydrophobicContact CD2-CD1 4.38Å; Y4-I17 HydrophobicContact CE1-CD1 4.26Å; Y4-I17 HydrophobicContact CG-CD1 3.79Å; Y4-I17 HydrophobicContact CG-CG1 4.49Å; R5-I17 CarbonylContact O-C 3.59Å; R5-I17 WeakPolarHBondContact O-CA 3.29Å; I6-I17 HydrophobicContact CG1-CG2 4.09Å; I17-V26 CarbonylContact O-C 3.47Å; I17-V26 WeakPolarHBondContact O-CA 3.1Å; I17-H27 HydrophobicContact CD1-CB 4.34Å; I17-H27 HydrophobicContact CG1-CB 3.9Å; I17-H27 WeakPolarHBondContact CG1-O 3.33Å; I17-H27 PolarHBondContact N-O 3.24Å; I17-H27 PolarHBondContact O-N 3.33Å; I17-V29 HydrophobicContact CD1-CB 4.4Å; I17-V29 HydrophobicContact CD1-CG1 3.76Å; I17-V29 HydrophobicContact CD1-CG2 3.69Å; I17-V29 HydrophobicContact CG1-CG1 4.17Å; I17-V29 HydrophobicContact CG1-CG2 3.91Å; I17-V29 HydrophobicContact CG2-CG2 3.91Å; I17-L34 HydrophobicContact CD1-CD2 4.33Å; I17-L34 HydrophobicContact CG2-CD2 3.98Å |
| 18 | Q | 89.5 | Confident | 88.8 | Confident | 42 Ų | 42 | 85 Ų | 85 | 20% | 0.196 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 135.5 | 176 | -179.3 | 179.5 | 52 | 0 | 0 | 109.9 | Y4 R5 T7 A20 R23 D25 V26 | Y4-Q18 WeakPolarHBondContact CA-O 3.42Å; R5-Q18 PolarHBondContact N-O 3.07Å; R5-Q18 PolarHBondContact O-N 2.86Å; T7-Q18 HydrophobicContact CG2-CB 3.41Å; T7-Q18 VanDerWaalsContact CG2-CB 3.41Å; T7-Q18 HydrophobicContact CG2-CG 4.46Å; Q18-A20 PolarHBondContact O-N 3.27Å; Q18-R23 PolarHBondContact NE2-O 3.43Å; Q18-D25 WeakPolarHBondContact CA-O 3.34Å; Q18-V26 HydrophobicContact CB-CG2 4.34Å; Q18-V26 HydrophobicContact CG-CG2 4.16Å |
| 19 | H | 88.2 | Confident | 89 | Confident | 23 Ų | 23 | 84.7 Ų | 84.7 | 11% | 0.106 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 132 | 177.6 | -170.6 | -98.1 | 0 | 0 | 0 | 110.9 | Y4 K21 R22 D25 | Y4-H19 HydrophobicContact CD1-CB 4.04Å; Y4-H19 HydrophobicContact CE1-CB 3.8Å; Y4-H19 AromaticContact CE1-CD2 3.93Å; Y4-H19 AromaticContact CZ-CD2 3.84Å; H19-K21 VanDerWaalsContact C-N 3.29Å; H19-K21 PolarHBondContact ND1-N 2.86Å; H19-K21 PolarHBondContact O-N 3.04Å; H19-R22 HydrophobicContact CB-CB 4.1Å; H19-R22 PolarHBondContact ND1-N 3.14Å; H19-R22 CarbonylContact O-C 3.46Å; H19-R22 PolarHBondContact O-N 2.91Å; H19-D25 HydrophobicContact CB-CB 3.93Å; H19-D25 PolarHBondContact N-O 3.4Å |
| 20 | A | 82.8 | Confident | 89 | Confident | 31 Ų | 31 | 82.3 Ų | 82.3 | 26% | 0.256 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -59.4 | -37.2 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | P3 Q18 L43 | P3-A20 HydrophobicContact CG-CB 4.16Å; P3-A20 VanDerWaalsContact O-CB 3.28Å; P3-A20 WeakPolarHBondContact O-CB 3.35Å; P3-A20 PolarHBondContact O-N 3Å; Q18-A20 PolarHBondContact O-N 3.27Å; A20-L43 HydrophobicContact CB-CD2 4.13Å |
| 21 | K | 82.8 | Confident | 89 | Confident | 187 Ų | 187 | 79.3 Ų | 79.3 | 81% | 0.813 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -89.9 | -26.3 | 178.3 | -62.6 | -175.6 | 177 | -177.1 | 0 | 113.8 | H19 | H19-K21 VanDerWaalsContact C-N 3.29Å; H19-K21 PolarHBondContact ND1-N 2.86Å; H19-K21 PolarHBondContact O-N 3.04Å |
| 22 | R | 83 | Confident | 89 | Confident | 171 Ų | 171 | 84 Ų | 84 | 65% | 0.645 | 40% | 0.403 | S | S | * | . | trans | -119.4 | 85.8 | -171 | -66.1 | -179.2 | -176.9 | -175.8 | -0.1 | 108.7 | H19 R24 D25 | H19-R22 HydrophobicContact CB-CB 4.1Å; H19-R22 PolarHBondContact ND1-N 3.14Å; H19-R22 CarbonylContact O-C 3.46Å; H19-R22 PolarHBondContact O-N 2.91Å; R22-R24 PolarHBondContact O-N 2.99Å; R22-R24 VanDerWaalsContact O-N 3.11Å; R22-D25 HydrophobicContact CB-CB 3.8Å; R22-D25 VanDerWaalsContact O-CB 3.28Å; R22-D25 WeakPolarHBondContact O-CB 3.41Å; R22-D25 PolarHBondContact O-N 3.08Å | ||
| 23 | R | 80.9 | Confident | 88.7 | Confident | 166 Ų | 166 | 87.5 Ų | 87.5 | 63% | 0.626 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -22.8 | -174.1 | -66.6 | -169.2 | 179.5 | -159.3 | 4.3 | 114.4 | Q18 D25 | Q18-R23 PolarHBondContact NE2-O 3.43Å; R23-D25 VanDerWaalsContact C-N 3.26Å |
| 24 | R | 86.9 | Confident | 88.4 | Confident | 251 Ų | 251 | 87 Ų | 87 | 95% | 0.947 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -14.6 | 175.1 | -62.3 | -176.7 | -177.2 | 173.5 | 0.5 | 113 | R22 V26 | R22-R24 PolarHBondContact O-N 2.99Å; R22-R24 VanDerWaalsContact O-N 3.11Å; R24-V26 PolarHBondContact O-N 2.85Å |
| 25 | D | 85.8 | Confident | 88 | Confident | 46 Ų | 46 | 94.6 Ų | 94.6 | 25% | 0.246 | 43% | 0.426 | C | S | . | . | trans | -88.6 | 89.8 | -179.1 | -162.6 | 20.2 | 0 | 0 | 0 | 108.9 | Q18 H19 R22 R23 H27 | Q18-D25 WeakPolarHBondContact CA-O 3.34Å; H19-D25 HydrophobicContact CB-CB 3.93Å; H19-D25 PolarHBondContact N-O 3.4Å; R22-D25 HydrophobicContact CB-CB 3.8Å; R22-D25 VanDerWaalsContact O-CB 3.28Å; R22-D25 WeakPolarHBondContact O-CB 3.41Å; R22-D25 PolarHBondContact O-N 3.08Å; R23-D25 VanDerWaalsContact C-N 3.26Å; D25-H27 IonicContact OD1-CE1 3.89Å; D25-H27 PolarHBondContact OD1-CE1 3.43Å; D25-H27 IonicContact OD1-NE2 2.85Å; D25-H27 PolarHBondContact OD1-NE2 3.43Å; D25-H27 IonicContact OD2-NE2 3.08Å | ||
| 26 | V | 89.7 | Confident | 87.4 | Confident | 64 Ų | 64 | 98.8 Ų | 98.8 | 39% | 0.388 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 131.3 | -177.6 | -179.1 | 0 | 0 | 0 | 0 | 108.5 | R16 I17 Q18 R24 | R16-V26 HydrophobicContact CG-CG1 3.56Å; I17-V26 CarbonylContact O-C 3.47Å; I17-V26 WeakPolarHBondContact O-CA 3.1Å; Q18-V26 HydrophobicContact CB-CG2 4.34Å; Q18-V26 HydrophobicContact CG-CG2 4.16Å; R24-V26 PolarHBondContact O-N 2.85Å |
| 27 | H | 91.4 | Very high | 86.4 | Confident | 56 Ų | 56 | 96.7 Ų | 96.7 | 26% | 0.259 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 152.2 | 177.9 | -56 | -53.9 | 0 | 0 | 0 | 110.7 | Y4 R16 I17 D25 V29 | Y4-H27 AromaticContact CE1-CD2 3.78Å; R16-H27 CarbonylContact C-O 3.43Å; R16-H27 WeakPolarHBondContact CA-O 3.5Å; I17-H27 HydrophobicContact CD1-CB 4.34Å; I17-H27 HydrophobicContact CG1-CB 3.9Å; I17-H27 WeakPolarHBondContact CG1-O 3.33Å; I17-H27 PolarHBondContact N-O 3.24Å; I17-H27 PolarHBondContact O-N 3.33Å; D25-H27 IonicContact OD1-CE1 3.89Å; D25-H27 PolarHBondContact OD1-CE1 3.43Å; D25-H27 IonicContact OD1-NE2 2.85Å; D25-H27 PolarHBondContact OD1-NE2 3.43Å; D25-H27 IonicContact OD2-NE2 3.08Å; H27-V29 HydrophobicContact CB-CG1 4.13Å |
| 28 | V | 92.7 | Very high | 85.7 | Confident | 89 Ų | 89 | 99.4 Ų | 99.4 | 54% | 0.539 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 125.8 | 164.4 | 178 | 0 | 0 | 0 | 0 | 107.2 | L10 Y15 R16 | L10-V28 HydrophobicContact CD1-CB 4.38Å; L10-V28 HydrophobicContact CD1-CG1 3.73Å; L10-V28 HydrophobicContact CD1-CG2 3.69Å; Y15-V28 CarbonylContact O-C 3.48Å; Y15-V28 WeakPolarHBondContact O-CA 3.38Å; R16-V28 HydrophobicContact CB-CG2 4.43Å; R16-V28 HydrophobicContact CG-CG2 4.31Å |
| 29 | V | 91.3 | Very high | 84.6 | Confident | 22 Ų | 22 | 103.4 Ų | 103.4 | 13% | 0.133 | 51% | 0.506 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 147.7 | -175.6 | -62.5 | 0 | 0 | 0 | 0 | 111.1 | T14 Y15 I17 H27 L34 | T14-V29 WeakPolarHBondContact CA-O 3.28Å; Y15-V29 PolarHBondContact N-O 2.75Å; Y15-V29 PolarHBondContact O-N 2.98Å; I17-V29 HydrophobicContact CD1-CB 4.4Å; I17-V29 HydrophobicContact CD1-CG1 3.76Å; I17-V29 HydrophobicContact CD1-CG2 3.69Å; I17-V29 HydrophobicContact CG1-CG1 4.17Å; I17-V29 HydrophobicContact CG1-CG2 3.91Å; I17-V29 HydrophobicContact CG2-CG2 3.91Å; H27-V29 HydrophobicContact CB-CG1 4.13Å; V29-L34 HydrophobicContact CG2-CD1 4.3Å; V29-L34 HydrophobicContact CG2-CD2 3.54Å; V29-L34 HydrophobicContact CG2-CG 3.9Å |
| 30 | H | 94.8 | Very high | 83.6 | Confident | 67 Ų | 67 | 109.2 Ų | 109.2 | 31% | 0.31 | 54% | 0.538 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 151.7 | 169.5 | -162.7 | -99.8 | 0 | 0 | 0 | 110.7 | V13 D32 R33 | V13-H30 WeakPolarHBondContact CB-NE2 3.07Å; V13-H30 VanDerWaalsContact CG2-NE2 3.32Å; V13-H30 WeakPolarHBondContact CG2-NE2 3.44Å; V13-H30 CarbonylContact O-C 3.58Å; V13-H30 VanDerWaalsContact O-CA 3.28Å; V13-H30 WeakPolarHBondContact O-CA 3.42Å; V13-H30 PolarHBondContact O-CD2 3.1Å; H30-D32 IonicContact CE1-OD1 3.13Å; H30-D32 IonicContact CE1-OD2 3.96Å; H30-D32 PolarHBondContact CE1-OD2 3.41Å; H30-D32 VanDerWaalsContact ND1-CG 3.26Å; H30-D32 PolarHBondContact ND1-N 3.43Å; H30-D32 IonicContact ND1-OD1 2.71Å; H30-D32 IonicContact ND1-OD2 3.06Å; H30-D32 PolarHBondContact ND1-OD2 3.33Å; H30-D32 PolarHBondContact O-N 3.36Å; H30-R33 WeakPolarHBondContact O-CB 3.36Å; H30-R33 PolarHBondContact O-N 3.37Å |
| 31 | A | 88.5 | Confident | 82.8 | Confident | 34 Ų | 34 | 111.6 Ų | 111.6 | 28% | 0.281 | 55% | 0.546 | S | S | . | . | G | 310 helix | trans | -50.7 | -42.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | V13 Y15 R33 L34 | V13-A31 PolarHBondContact O-N 2.94Å; Y15-A31 HydrophobicContact CE2-CB 4.11Å; A31-R33 PolarHBondContact O-N 3.4Å; A31-L34 WeakPolarHBondContact O-CB 3.28Å; A31-L34 PolarHBondContact O-N 3.42Å |
| 32 | D | 91.5 | Very high | 81.6 | Confident | 136 Ų | 136 | 114.1 Ų | 114.1 | 73% | 0.727 | 55% | 0.55 | S | S | * | * | G | 310 helix | trans | -62.1 | -18.4 | -179.7 | -50.1 | -27.9 | 0 | 0 | 0 | 114.2 | H30 | H30-D32 IonicContact CE1-OD1 3.13Å; H30-D32 IonicContact CE1-OD2 3.96Å; H30-D32 PolarHBondContact CE1-OD2 3.41Å; H30-D32 VanDerWaalsContact ND1-CG 3.26Å; H30-D32 PolarHBondContact ND1-N 3.43Å; H30-D32 IonicContact ND1-OD1 2.71Å; H30-D32 IonicContact ND1-OD2 3.06Å; H30-D32 PolarHBondContact ND1-OD2 3.33Å; H30-D32 PolarHBondContact O-N 3.36Å |
| 33 | R | 85 | Confident | 80.6 | Confident | 185 Ų | 185 | 108.4 Ų | 108.4 | 70% | 0.698 | 53% | 0.532 | S | S | * | . | G | 310 helix | trans | -91.8 | -8.4 | 177.4 | -60.3 | -173.6 | -179.5 | -175.2 | 0.6 | 112.6 | H30 A31 | H30-R33 WeakPolarHBondContact O-CB 3.36Å; H30-R33 PolarHBondContact O-N 3.37Å; A31-R33 PolarHBondContact O-N 3.4Å |
| 34 | L | 85.3 | Confident | 79.5 | Confident | 55 Ų | 55 | 104.9 Ų | 104.9 | 29% | 0.288 | 53% | 0.531 | S | S | . | . | trans | -89 | 137.6 | 174.8 | -62.9 | 177.6 | 0 | 0 | 0 | 109.4 | I6 Y15 I17 V29 A31 | I6-L34 HydrophobicContact CD1-CD1 4.39Å; Y15-L34 HydrophobicContact CD2-CD1 3.55Å; Y15-L34 HydrophobicContact CE2-CD1 4.19Å; Y15-L34 HydrophobicContact CG-CD1 4.09Å; I17-L34 HydrophobicContact CD1-CD2 4.33Å; I17-L34 HydrophobicContact CG2-CD2 3.98Å; V29-L34 HydrophobicContact CG2-CD1 4.3Å; V29-L34 HydrophobicContact CG2-CD2 3.54Å; V29-L34 HydrophobicContact CG2-CG 3.9Å; A31-L34 WeakPolarHBondContact O-CB 3.28Å; A31-L34 PolarHBondContact O-N 3.42Å | ||
| 35 | K | 84.1 | Confident | 77.9 | Confident | 196 Ų | 196 | 101.2 Ų | 101.2 | 85% | 0.852 | 53% | 0.525 | S | S | * | . | trans | -106.4 | 139 | 164.9 | -68.3 | -169.2 | 173.7 | -166.1 | 0 | 107.8 | C37 | K35-C37 PolarHBondContact O-N 2.91Š| ||
| 36 | T | 79.9 | Confident | 76.4 | Confident | 138 Ų | 138 | 105.3 Ų | 105.3 | 85% | 0.847 | 54% | 0.54 | S | S | * | . | P | Polyproline II helix | trans | -53.2 | 131 | 171.2 | -51.6 | 0 | 0 | 0 | 0 | 109.1 | P38 | T36-P38 WeakPolarHBondContact O-CD 3.19Š|
| 37 | C | 69.3 | Low | 74.2 | Confident | 63 Ų | 63 | 106.5 Ų | 106.5 | 43% | 0.426 | 55% | 0.551 | S | S | . | * | P | Polyproline II helix | trans | -70.5 | 125.9 | 175.8 | -70.9 | 0 | 0 | 0 | 0 | 108.6 | K35 | K35-C37 PolarHBondContact O-N 2.91Š|
| 38 | P | 75.9 | Confident | 71.9 | Confident | 66 Ų | 66 | 107.7 Ų | 107.7 | 43% | 0.429 | 57% | 0.571 | S | S | . | * | P | Polyproline II helix | trans | -56.4 | 142.5 | 169.5 | -20.6 | 30.6 | 0 | 0 | 0 | 110.2 | T36 D40 I41 | T36-P38 WeakPolarHBondContact O-CD 3.19Å; P38-D40 PolarHBondContact O-N 2.77Å; P38-D40 VanDerWaalsContact O-N 3.09Å; P38-I41 HydrophobicContact CB-CG1 4.41Å; P38-I41 HydrophobicContact CG-CD1 4.14Å; P38-I41 HydrophobicContact CG-CG1 4.45Å; P38-I41 PolarHBondContact O-N 3.38Å; P38-I41 VanDerWaalsContact O-N 3.15Å |
| 39 | P | 66.6 | Low | 69.6 | Low | 126 Ų | 126 | 114.1 Ų | 114.1 | 82% | 0.818 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.5 | -21.3 | -180 | 25.7 | -34.2 | 0 | 0 | 0 | 112.7 | I41 | P39-I41 VanDerWaalsContact C-N 3.25Å; P39-I41 PolarHBondContact O-N 3.18Å |
| 40 | D | 68.7 | Low | 67.4 | Low | 144 Ų | 144 | 120.3 Ų | 120.3 | 77% | 0.77 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.1 | -15.8 | -179.2 | -55.3 | -35.2 | 0 | 0 | 0 | 113.7 | P38 R42 | P38-D40 PolarHBondContact O-N 2.77Å; P38-D40 VanDerWaalsContact O-N 3.09Å; D40-R42 PolarHBondContact O-N 3.02Å |
| 41 | I | 65.9 | Low | 65.1 | Low | 82 Ų | 82 | 127.2 Ų | 127.2 | 42% | 0.421 | 65% | 0.645 | S | S | . | * | S | Bend | trans | -86.2 | 96 | -179.7 | -53.5 | -175.6 | 0 | 0 | 0 | 109.1 | P3 P38 P39 L43 | P3-I41 HydrophobicContact CB-CG2 4.2Å; P38-I41 HydrophobicContact CB-CG1 4.41Å; P38-I41 HydrophobicContact CG-CD1 4.14Å; P38-I41 HydrophobicContact CG-CG1 4.45Å; P38-I41 PolarHBondContact O-N 3.38Å; P38-I41 VanDerWaalsContact O-N 3.15Å; P39-I41 VanDerWaalsContact C-N 3.25Å; P39-I41 PolarHBondContact O-N 3.18Å; I41-L43 VanDerWaalsContact C-N 3.27Å; I41-L43 PolarHBondContact O-N 3.04Å |
| 42 | R | 56.8 | Low | 63 | Low | 239 Ų | 239 | 129 Ų | 129 | 90% | 0.902 | 66% | 0.659 | S | S | * | * | trans | -62.6 | 86.8 | 169.9 | -65.3 | -175.1 | -178.9 | -175.8 | 0.7 | 110.6 | D40 | D40-R42 PolarHBondContact O-N 3.02Š| ||
| 43 | L | 62.9 | Low | 60.5 | Low | 51 Ų | 51 | 125.6 Ų | 125.6 | 27% | 0.267 | 66% | 0.656 | S | S | . | * | trans | -63 | 131.7 | 160.8 | -81.7 | 177.8 | 0 | 0 | 0 | 106.9 | P3 R5 A20 I41 E45 | P3-L43 HydrophobicContact CB-CD2 3.6Å; P3-L43 HydrophobicContact CB-CG 4.5Å; P3-L43 HydrophobicContact CG-CD2 4.06Å; R5-L43 HydrophobicContact CG-CD1 4.2Å; R5-L43 HydrophobicContact CG-CD2 4.28Å; A20-L43 HydrophobicContact CB-CD2 4.13Å; I41-L43 VanDerWaalsContact C-N 3.27Å; I41-L43 PolarHBondContact O-N 3.04Å; L43-E45 PolarHBondContact O-N 2.94Å | ||
| 44 | P | 56 | Low | 58.5 | Low | 92 Ų | 92 | 125.7 Ų | 125.7 | 60% | 0.597 | 67% | 0.667 | S | S | * | * | trans | -60.8 | 85.3 | 171.2 | 21.5 | -31.3 | 0 | 0 | 0 | 110.7 | R5 K46 | R5-P44 PolarHBondContact NH1-O 3.24Å; R5-P44 PolarHBondContact NH2-O 3.18Å; P44-K46 PolarHBondContact O-N 2.86Å | ||
| 45 | E | 54.2 | Low | 56.5 | Low | 175 Ų | 175 | 133.3 Ų | 133.3 | 82% | 0.818 | 69% | 0.692 | S | S | * | * | trans | -47.8 | 112.9 | 178.4 | -139.6 | 175.1 | 173.1 | 0 | 0 | 106 | L43 S47 | L43-E45 PolarHBondContact O-N 2.94Å; E45-S47 PolarHBondContact O-N 3.05Å | ||
| 46 | K | 53.9 | Low | 54.6 | Low | 131 Ų | 131 | 135.7 Ų | 135.7 | 57% | 0.57 | 70% | 0.696 | S | S | * | * | trans | -67.8 | 105.1 | 168.1 | -67.9 | 175.4 | -174.4 | 178.2 | 0 | 100.5 | P44 A48 | P44-K46 PolarHBondContact O-N 2.86Å; K46-A48 PolarHBondContact O-N 3.23Å | ||
| 47 | S | 43.3 | Very low | 53.1 | Low | 89 Ų | 89 | 136.2 Ų | 136.2 | 62% | 0.622 | 69% | 0.689 | S | S | * | * | trans | -29.9 | 114.1 | 177.2 | 39.6 | 0 | 0 | 0 | 0 | 107.8 | E45 R49 | E45-S47 PolarHBondContact O-N 3.05Å; S47-R49 PolarHBondContact O-N 2.94Å | ||
| 48 | A | 44.6 | Very low | 51.7 | Low | 81 Ų | 81 | 139.8 Ų | 139.8 | 67% | 0.669 | 71% | 0.709 | S | S | * | * | trans | -48.3 | 92.9 | 146.9 | 0 | 0 | 0 | 0 | 0 | 103.6 | K46 E50 | K46-A48 PolarHBondContact O-N 3.23Å; A48-E50 PolarHBondContact O-N 2.91Å | ||
| 49 | R | 43.6 | Very low | 50.2 | Low | 224 Ų | 224 | 142.2 Ų | 142.2 | 85% | 0.845 | 73% | 0.727 | S | S | * | * | trans | -66.5 | 79.1 | 154.6 | -84.7 | -173.3 | 174.8 | -174.6 | -1.9 | 102.8 | S47 H51 | S47-R49 PolarHBondContact O-N 2.94Å; R49-H51 PolarHBondContact O-N 3.06Å | ||
| 50 | E | 44.8 | Very low | 49.2 | Very low | 152 Ų | 152 | 141.6 Ų | 141.6 | 71% | 0.71 | 72% | 0.723 | S | S | * | * | trans | 24.5 | 103.5 | 133.6 | -66.2 | -178.9 | 153.3 | 0 | 0 | 111 | A48 A52 | A48-E50 PolarHBondContact O-N 2.91Å; E50-A52 HydrophobicContact CB-CB 3.83Å; E50-A52 PolarHBondContact O-N 3.33Å | ||
| 51 | H | 46.3 | Very low | 48 | Very low | 213 Ų | 213 | 145.4 Ų | 145.4 | 99% | 0.986 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -57.3 | 45.6 | 140 | -82.4 | -97 | 0 | 0 | 0 | 111.4 | R49 | R49-H51 PolarHBondContact O-N 3.06Š|
| 52 | A | 44.9 | Very low | 47.5 | Very low | 70 Ų | 70 | 146.8 Ų | 146.8 | 58% | 0.579 | 74% | 0.741 | S | S | * | * | trans | -107.1 | 98.4 | 159.7 | 0 | 0 | 0 | 0 | 0 | 103.7 | E50 | E50-A52 HydrophobicContact CB-CB 3.83Å; E50-A52 PolarHBondContact O-N 3.33Å | ||
| 53 | G | 38.7 | Very low | 46.9 | Very low | 65 Ų | 65 | 141 Ų | 141 | 67% | 0.67 | 73% | 0.734 | S | S | * | * | 99.6 | 104.7 | 81.5 | 0 | 0 | 0 | 0 | 0 | 107.2 | |||||
| 54 | M | 43.6 | Very low | 45.7 | Very low | 188 Ų | 188 | 144 Ų | 144 | 93% | 0.926 | 76% | 0.759 | S | S | * | * | trans | 47.3 | 98 | 144.1 | -55.2 | -174.1 | -173.8 | 0 | 0 | 117.7 | ||||
| 55 | R | 42.2 | Very low | 44.9 | Very low | 214 Ų | 214 | 143.1 Ų | 143.1 | 81% | 0.808 | 77% | 0.767 | S | S | * | * | -179.8 | 109.9 | 117.3 | -104.4 | 172.1 | 146.7 | -149.9 | -4 | 111.5 | Q57 | R55-Q57 PolarHBondContact O-N 3.26Š| |||
| 56 | R | 43.7 | Very low | 44.8 | Very low | 247 Ų | 247 | 144 Ų | 144 | 93% | 0.932 | 77% | 0.772 | S | S | * | * | trans | -56.2 | 116.1 | 151.5 | -74.1 | 173.8 | 175.2 | 160.4 | -2.4 | 107.8 | ||||
| 57 | Q | 49.5 | Very low | 44.4 | Very low | 149 Ų | 149 | 142.7 Ų | 142.7 | 70% | 0.696 | 78% | 0.776 | S | S | * | * | trans | -129.8 | 105 | 152.7 | -76.6 | -166.5 | -1.6 | 0 | 0 | 108.3 | R55 | R55-Q57 PolarHBondContact O-N 3.26Š| ||
| 58 | T | 40 | Very low | 44.6 | Very low | 138 Ų | 138 | 144 Ų | 144 | 85% | 0.847 | 78% | 0.776 | S | S | * | * | trans | -56.1 | 133.3 | 166.5 | 47.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 59 | S | 44.3 | Very low | 44.9 | Very low | 116 Ų | 116 | 148 Ų | 148 | 81% | 0.811 | 79% | 0.786 | S | S | * | * | trans | -142.4 | 140.8 | 160.6 | -163.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 60 | P | 45 | Very low | 45.4 | Very low | 114 Ų | 114 | 144.6 Ų | 144.6 | 74% | 0.74 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -90.7 | 150.7 | -141 | 34.3 | -33.5 | 0 | 0 | 0 | 114.2 | ||
| 61 | R | 42.9 | Very low | 45.1 | Very low | 223 Ų | 223 | 142.6 Ų | 142.6 | 84% | 0.842 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 130.1 | 171 | 179.3 | -178.5 | -172.8 | -173.2 | 2.8 | 111.7 | ||
| 62 | P | 55.6 | Low | 44.8 | Very low | 112 Ų | 112 | 145.1 Ų | 145.1 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -90.9 | 155.2 | 155.4 | 30.7 | -20.5 | 0 | 0 | 0 | 110.5 | ||
| 63 | P | 45.1 | Very low | 44.6 | Very low | 116 Ų | 116 | 147.2 Ų | 147.2 | 75% | 0.753 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 162.6 | -161 | 32.8 | -35.1 | 0 | 0 | 0 | 113.8 | ||
| 64 | S | 38.4 | Very low | 45 | Very low | 114 Ų | 114 | 147.7 Ų | 147.7 | 80% | 0.797 | 79% | 0.792 | S | S | * | * | trans | -44.6 | 132.1 | 174.3 | 47.2 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 65 | G | 38.9 | Very low | 44.6 | Very low | 74 Ų | 74 | 149.5 Ų | 149.5 | 76% | 0.763 | 79% | 0.788 | S | S | * | * | trans | 176.7 | 83.6 | 168.5 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 66 | Q | 52.1 | Low | 45.1 | Very low | 195 Ų | 195 | 150.8 Ų | 150.8 | 91% | 0.911 | 79% | 0.793 | S | S | * | * | trans | 60.7 | 148.5 | 156.2 | -80.4 | -167.1 | -76.2 | 0 | 0 | 123.4 | ||||
| 67 | P | 44.3 | Very low | 45.3 | Very low | 103 Ų | 103 | 147.6 Ų | 147.6 | 67% | 0.669 | 79% | 0.789 | S | S | * | * | trans | -92.9 | 130.9 | -173.9 | 36.3 | -27.9 | 0 | 0 | 0 | 111.5 | ||||
| 68 | D | 48.2 | Very low | 45.3 | Very low | 115 Ų | 115 | 145.1 Ų | 145.1 | 62% | 0.615 | 79% | 0.794 | S | S | * | * | trans | -118.3 | 91.4 | 168.4 | -156.6 | 9.4 | 0 | 0 | 0 | 108.3 | K70 | D68-K70 PolarHBondContact O-N 2.87Å; D68-K70 VanDerWaalsContact O-N 3.08Å; D68-K70 WeakPolarHBondContact OD1-CE 3.28Å; D68-K70 IonicContact OD1-NZ 3.73Å; D68-K70 WeakPolarHBondContact OD2-CD 3.44Å; D68-K70 WeakPolarHBondContact OD2-CE 3.32Å; D68-K70 IonicContact OD2-NZ 3.72Å; D68-K70 PolarHBondContact OD2-NZ 2.88Å | ||
| 69 | L | 51.7 | Low | 45.6 | Very low | 167 Ų | 167 | 141.8 Ų | 141.8 | 87% | 0.874 | 79% | 0.787 | S | S | * | * | trans | -69.2 | 96.8 | 168.3 | -93.4 | 84.2 | 0 | 0 | 0 | 107.9 | ||||
| 70 | K | 52.4 | Low | 45.5 | Very low | 152 Ų | 152 | 140.1 Ų | 140.1 | 66% | 0.661 | 79% | 0.788 | S | S | * | * | trans | -117.1 | 106.8 | 169 | -79.1 | 175.2 | 179.7 | 154.6 | 0 | 111.5 | D68 | D68-K70 PolarHBondContact O-N 2.87Å; D68-K70 VanDerWaalsContact O-N 3.08Å; D68-K70 WeakPolarHBondContact OD1-CE 3.28Å; D68-K70 IonicContact OD1-NZ 3.73Å; D68-K70 WeakPolarHBondContact OD2-CD 3.44Å; D68-K70 WeakPolarHBondContact OD2-CE 3.32Å; D68-K70 IonicContact OD2-NZ 3.72Å; D68-K70 PolarHBondContact OD2-NZ 2.88Å | ||
| 71 | T | 39.8 | Very low | 46.1 | Very low | 110 Ų | 110 | 145.6 Ų | 145.6 | 68% | 0.675 | 80% | 0.795 | S | S | * | * | trans | 70.9 | 101.9 | 130.2 | -42.8 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 72 | W | 39.2 | Very low | 47.1 | Very low | 266 Ų | 266 | 141.6 Ų | 141.6 | 100% | 1.008 | 79% | 0.79 | S | S | * | * | trans | -122.6 | 100.9 | 141.3 | -109.5 | 29.6 | 0 | 0 | 0 | 108.5 | ||||
| 73 | S | 42 | Very low | 47.7 | Very low | 114 Ų | 114 | 141.5 Ų | 141.5 | 80% | 0.797 | 79% | 0.79 | S | S | * | * | trans | -80.4 | 116.2 | 170.6 | 43.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 74 | G | 45.9 | Very low | 48.9 | Very low | 75 Ų | 75 | 141.1 Ų | 141.1 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | trans | -151.2 | 66.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | R76 | G74-R76 PolarHBondContact O-N 2.8Š| ||
| 75 | R | 35.7 | Very low | 50 | Low | 225 Ų | 225 | 145.3 Ų | 145.3 | 85% | 0.849 | 79% | 0.794 | S | S | * | * | trans | -56.1 | 114.7 | 172.1 | 178.3 | -168.3 | -74.3 | -107.8 | 2 | 110.6 | ||||
| 76 | R | 52.4 | Low | 51.3 | Low | 241 Ų | 241 | 149.6 Ų | 149.6 | 91% | 0.909 | 80% | 0.796 | S | S | * | * | trans | -147.3 | 117 | 140.6 | -104.3 | -170.9 | -175.5 | -87.8 | -0.8 | 109.6 | G74 A78 | G74-R76 PolarHBondContact O-N 2.8Å; R76-A78 PolarHBondContact O-N 2.74Å | ||
| 77 | Q | 47.1 | Very low | 52.2 | Low | 180 Ų | 180 | 146.1 Ų | 146.1 | 84% | 0.841 | 79% | 0.788 | S | S | * | * | trans | -59.5 | 117.7 | 172.1 | -63.5 | 177.2 | -4.8 | 0 | 0 | 109.1 | ||||
| 78 | A | 50.6 | Low | 53 | Low | 97 Ų | 97 | 147.2 Ų | 147.2 | 80% | 0.802 | 79% | 0.787 | S | S | * | * | trans | -104.3 | 106.3 | 160.8 | 0 | 0 | 0 | 0 | 0 | 106.3 | R76 | R76-A78 PolarHBondContact O-N 2.74Š| ||
| 79 | G | 45.3 | Very low | 53.7 | Low | 68 Ų | 68 | 145.3 Ų | 145.3 | 70% | 0.701 | 79% | 0.794 | S | S | * | * | trans | -53 | 143.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y81 | G79-Y81 PolarHBondContact O-N 3.06Å; G79-Y81 VanDerWaalsContact O-N 3.15Å | ||
| 80 | G | 44.1 | Very low | 53.8 | Low | 81 Ų | 81 | 145.6 Ų | 145.6 | 84% | 0.835 | 79% | 0.791 | S | S | * | * | trans | -61.8 | 110.9 | -164.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 81 | Y | 56.9 | Low | 53.6 | Low | 229 Ų | 229 | 146 Ų | 146 | 90% | 0.898 | 80% | 0.801 | S | S | * | * | trans | -93.2 | 104.4 | 149.3 | -94.3 | -92.1 | 0 | 0 | 0 | 107.2 | G79 | G79-Y81 PolarHBondContact O-N 3.06Å; G79-Y81 VanDerWaalsContact O-N 3.15Å | ||
| 82 | L | 64.6 | Low | 54.1 | Low | 139 Ų | 139 | 147.5 Ų | 147.5 | 73% | 0.728 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 128.9 | 163.3 | -72.3 | 172.8 | 0 | 0 | 0 | 107.5 | A84 | L82-A84 PolarHBondContact O-N 3.13Š|
| 83 | P | 68.1 | Low | 54.2 | Low | 111 Ų | 111 | 140 Ų | 140 | 72% | 0.721 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 137.6 | 172.8 | 25.1 | -31.7 | 0 | 0 | 0 | 109.1 | R85 | P83-R85 PolarHBondContact O-N 3.41Å; P83-R85 VanDerWaalsContact O-N 3.09Å |
| 84 | A | 69.5 | Low | 54 | Low | 107 Ų | 107 | 141.9 Ų | 141.9 | 88% | 0.884 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 117 | 176.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | L82 | L82-A84 PolarHBondContact O-N 3.13Š|
| 85 | R | 62.4 | Low | 53.8 | Low | 202 Ų | 202 | 145.9 Ų | 145.9 | 76% | 0.762 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -84.4 | 127.2 | 171.4 | 53.7 | -179.8 | 164.1 | -104.7 | -1.9 | 108.8 | P83 | P83-R85 PolarHBondContact O-N 3.41Å; P83-R85 VanDerWaalsContact O-N 3.09Å |
| 86 | M | 64.9 | Low | 54.3 | Low | 164 Ų | 164 | 142.1 Ų | 142.1 | 81% | 0.808 | 80% | 0.798 | S | S | * | * | trans | -85 | 114 | 172.3 | -168.7 | 174.9 | 69.6 | 0 | 0 | 107.2 | I88 | M86-I88 HydrophobicContact CE-CD1 4.17Å; M86-I88 HydrophobicContact CE-CG1 4.2Å | ||
| 87 | V | 70.6 | Confident | 53.7 | Low | 122 Ų | 122 | 136 Ų | 136 | 74% | 0.739 | 80% | 0.799 | S | S | * | * | trans | -88.6 | 111.9 | 173.5 | -168.4 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 88 | I | 61.1 | Low | 53.5 | Low | 127 Ų | 127 | 130.4 Ų | 130.4 | 65% | 0.651 | 79% | 0.79 | S | S | * | * | trans | -82.9 | 119.8 | 168.2 | -59.5 | 172.1 | 0 | 0 | 0 | 104.4 | M86 E90 | M86-I88 HydrophobicContact CE-CD1 4.17Å; M86-I88 HydrophobicContact CE-CG1 4.2Å; I88-E90 PolarHBondContact O-N 3.25Å | ||
| 89 | G | 63.5 | Low | 53.2 | Low | 74 Ų | 74 | 130.9 Ų | 130.9 | 76% | 0.763 | 79% | 0.794 | S | S | * | * | trans | -62.4 | 110.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 90 | E | 54.9 | Low | 53.4 | Low | 173 Ų | 173 | 136 Ų | 136 | 81% | 0.808 | 80% | 0.8 | S | S | * | * | trans | -78.8 | 135.6 | 172.3 | -69.8 | 169.3 | 170.1 | 0 | 0 | 109.2 | I88 V92 | I88-E90 PolarHBondContact O-N 3.25Å; E90-V92 PolarHBondContact O-N 3.41Å | ||
| 91 | D | 46.2 | Very low | 53.7 | Low | 161 Ų | 161 | 139.6 Ų | 139.6 | 86% | 0.861 | 80% | 0.799 | S | S | * | * | trans | -18 | 111.2 | 172.6 | -62.7 | -56.1 | 0 | 0 | 0 | 116.2 | C93 | D91-C93 PolarHBondContact O-N 3.2Š| ||
| 92 | V | 50.5 | Low | 53.2 | Low | 142 Ų | 142 | 137.4 Ų | 137.4 | 86% | 0.861 | 79% | 0.794 | S | S | * | * | trans | -89.6 | 99.6 | 159.3 | -177.5 | 0 | 0 | 0 | 0 | 108.1 | E90 | E90-V92 PolarHBondContact O-N 3.41Š| ||
| 93 | C | 42.4 | Very low | 52.5 | Low | 108 Ų | 108 | 139.4 Ų | 139.4 | 73% | 0.73 | 80% | 0.8 | S | S | * | * | trans | 13.4 | 111.5 | 152.7 | -61.7 | 0 | 0 | 0 | 0 | 117.9 | D91 E95 | D91-C93 PolarHBondContact O-N 3.2Å; C93-E95 PolarHBondContact O-N 3.09Å; C93-E95 VanDerWaalsContact O-N 3.14Å | ||
| 94 | T | 38 | Very low | 51.9 | Low | 153 Ų | 153 | 141.7 Ų | 141.7 | 94% | 0.939 | 80% | 0.801 | S | S | * | * | trans | -56.4 | 98.2 | 156.1 | -38.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 95 | E | 40.4 | Very low | 51.3 | Low | 159 Ų | 159 | 142.7 Ų | 142.7 | 74% | 0.743 | 80% | 0.798 | S | S | * | * | trans | -150.8 | 145.6 | 149 | 68.9 | 176.3 | -156.6 | 0 | 0 | 109.4 | C93 | C93-E95 PolarHBondContact O-N 3.09Å; C93-E95 VanDerWaalsContact O-N 3.14Å | ||
| 96 | N | 48 | Very low | 50.3 | Low | 146 Ų | 146 | 139.2 Ų | 139.2 | 78% | 0.781 | 81% | 0.805 | S | S | * | * | trans | 92.5 | 82.1 | -178 | -52.1 | -54.3 | 0 | 0 | 0 | 115.9 | G98 | N96-G98 PolarHBondContact O-N 3.19Š| ||
| 97 | A | 38.3 | Very low | 49 | Very low | 113 Ų | 113 | 134.8 Ų | 134.8 | 93% | 0.934 | 80% | 0.802 | S | S | * | * | trans | -18.5 | 116.3 | 140.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 98 | G | 43 | Very low | 47.6 | Very low | 63 Ų | 63 | 134.1 Ų | 134.1 | 65% | 0.649 | 80% | 0.802 | S | S | * | * | trans | 174.7 | 79.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | N96 Q100 | N96-G98 PolarHBondContact O-N 3.19Å; G98-Q100 PolarHBondContact O-N 3.32Å | ||
| 99 | A | 45.5 | Very low | 47.3 | Very low | 107 Ų | 107 | 138.7 Ų | 138.7 | 88% | 0.884 | 81% | 0.812 | S | S | * | * | trans | -62.7 | 80.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | L101 | A99-L101 VanDerWaalsContact C-N 3.28Å; A99-L101 PolarHBondContact O-N 3.15Å; A99-L101 VanDerWaalsContact O-N 3.16Å | ||
| 100 | Q | 49.4 | Very low | 46.6 | Very low | 175 Ų | 175 | 141.2 Ų | 141.2 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | trans | -81.8 | 86.9 | 162.7 | -71 | -168.7 | 68.3 | 0 | 0 | 107.1 | G98 F102 | G98-Q100 PolarHBondContact O-N 3.32Å; Q100-F102 PolarHBondContact O-N 3.09Å | ||
| 101 | L | 49.7 | Very low | 46.5 | Very low | 156 Ų | 156 | 138.9 Ų | 138.9 | 82% | 0.817 | 81% | 0.812 | S | S | * | * | trans | -46.3 | 109.3 | 159.5 | -112.4 | 147.5 | 0 | 0 | 0 | 107.5 | A99 E103 | A99-L101 VanDerWaalsContact C-N 3.28Å; A99-L101 PolarHBondContact O-N 3.15Å; A99-L101 VanDerWaalsContact O-N 3.16Å; L101-E103 VanDerWaalsContact C-N 3.35Å; L101-E103 PolarHBondContact O-N 3.3Å | ||
| 102 | F | 47.4 | Very low | 47 | Very low | 183 Ų | 183 | 138.8 Ų | 138.8 | 80% | 0.803 | 81% | 0.81 | S | S | * | * | trans | -62.3 | 102.2 | 166.9 | -83.7 | -93.9 | 0 | 0 | 0 | 107.1 | Q100 H104 | Q100-F102 PolarHBondContact O-N 3.09Å; F102-H104 VanDerWaalsContact C-N 3.34Å; F102-H104 PolarHBondContact O-N 2.86Å | ||
| 103 | E | 49.6 | Very low | 47.1 | Very low | 182 Ų | 182 | 137.3 Ų | 137.3 | 85% | 0.85 | 81% | 0.806 | S | S | * | * | trans | -63.9 | 98.5 | 167 | -73.5 | -160.7 | 163.2 | 0 | 0 | 108.1 | L101 | L101-E103 VanDerWaalsContact C-N 3.35Å; L101-E103 PolarHBondContact O-N 3.3Å | ||
| 104 | H | 54.1 | Low | 47.8 | Very low | 159 Ų | 159 | 141.9 Ų | 141.9 | 74% | 0.736 | 81% | 0.814 | S | S | * | * | trans | -61.5 | 130.4 | 161.2 | -69.8 | -83.1 | 0 | 0 | 0 | 107.4 | F102 S106 | F102-H104 VanDerWaalsContact C-N 3.34Å; F102-H104 PolarHBondContact O-N 2.86Å; H104-S106 PolarHBondContact O-N 3.02Å | ||
| 105 | P | 58.3 | Low | 48.3 | Very low | 128 Ų | 128 | 140.8 Ų | 140.8 | 83% | 0.831 | 80% | 0.798 | S | S | * | * | trans | -65.1 | 89.7 | 171.5 | 25.8 | -31.5 | 0 | 0 | 0 | 108.4 | G107 | P105-G107 PolarHBondContact O-N 2.82Å; P105-G107 VanDerWaalsContact O-N 3.07Å | ||
| 106 | S | 40.9 | Very low | 49.4 | Very low | 128 Ų | 128 | 143.4 Ų | 143.4 | 90% | 0.895 | 80% | 0.801 | S | S | * | * | trans | -76.1 | 89.6 | 175.6 | -158.4 | 0 | 0 | 0 | 0 | 106.8 | H104 | H104-S106 PolarHBondContact O-N 3.02Š| ||
| 107 | G | 37.3 | Very low | 49.8 | Very low | 72 Ų | 72 | 141.9 Ų | 141.9 | 74% | 0.742 | 80% | 0.799 | S | S | * | * | trans | 162.7 | 50.2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | P105 | P105-G107 PolarHBondContact O-N 2.82Å; P105-G107 VanDerWaalsContact O-N 3.07Å | ||
| 108 | S | 42.2 | Very low | 51 | Low | 108 Ų | 108 | 145.3 Ų | 145.3 | 76% | 0.755 | 79% | 0.788 | S | S | * | * | trans | -153.4 | 128.4 | 154 | 57.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 109 | R | 53.6 | Low | 51.9 | Low | 223 Ų | 223 | 153.4 Ų | 153.4 | 84% | 0.842 | 80% | 0.799 | S | S | * | * | trans | -43.9 | 152 | 170 | -76.6 | 171.9 | 144.8 | -170.3 | -6.7 | 110.1 | V111 | R109-V111 PolarHBondContact O-N 3.39Š| ||
| 110 | P | 49.9 | Very low | 52.6 | Low | 127 Ų | 127 | 152.3 Ų | 152.3 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | trans | -60.9 | 94.1 | 173.4 | 26.4 | -31.9 | 0 | 0 | 0 | 108.3 | L112 | P110-L112 VanDerWaalsContact C-N 3.33Å; P110-L112 PolarHBondContact O-N 3.39Å | ||
| 111 | V | 52.4 | Low | 53.3 | Low | 124 Ų | 124 | 150.3 Ų | 150.3 | 75% | 0.752 | 79% | 0.79 | S | S | * | * | trans | -67.4 | 104.8 | 166.5 | 175.9 | 0 | 0 | 0 | 0 | 103.1 | R109 S113 | R109-V111 PolarHBondContact O-N 3.39Å; V111-S113 PolarHBondContact O-N 2.75Å | ||
| 112 | L | 55.5 | Low | 54 | Low | 159 Ų | 159 | 151.1 Ų | 151.1 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | trans | -36.9 | 108.6 | 170.9 | -71.6 | 166.7 | 0 | 0 | 0 | 107.2 | P110 K114 | P110-L112 VanDerWaalsContact C-N 3.33Å; P110-L112 PolarHBondContact O-N 3.39Å; L112-K114 PolarHBondContact O-N 3.35Å | ||
| 113 | S | 53 | Low | 54.8 | Low | 110 Ų | 110 | 147.1 Ų | 147.1 | 77% | 0.769 | 77% | 0.774 | S | S | * | * | trans | -53.4 | 114.3 | 178.1 | 37.5 | 0 | 0 | 0 | 0 | 105.8 | V111 E115 | V111-S113 PolarHBondContact O-N 2.75Å; S113-E115 PolarHBondContact O-N 3.2Å | ||
| 114 | K | 57.1 | Low | 55.7 | Low | 204 Ų | 204 | 141.1 Ų | 141.1 | 89% | 0.887 | 75% | 0.751 | S | S | * | * | trans | -45.8 | 112.3 | 174.9 | -80.3 | -179.1 | 176.4 | 176.3 | 0 | 106.2 | L112 R116 | L112-K114 PolarHBondContact O-N 3.35Å; K114-R116 PolarHBondContact O-N 2.99Å | ||
| 115 | E | 49.5 | Very low | 56.4 | Low | 130 Ų | 130 | 136.4 Ų | 136.4 | 61% | 0.607 | 74% | 0.736 | S | S | * | * | trans | -51.8 | 109.6 | -175 | -173.7 | 173.5 | 177.9 | 0 | 0 | 106.9 | S113 R118 | S113-E115 PolarHBondContact O-N 3.2Å; E115-R118 IonicContact OE1-CZ 3.2Å; E115-R118 IonicContact OE1-NE 2.72Å; E115-R118 PolarHBondContact OE1-NE 3.02Å; E115-R118 IonicContact OE1-NH2 2.8Å; E115-R118 PolarHBondContact OE1-NH2 2.8Å | ||
| 116 | R | 62.4 | Low | 56.4 | Low | 215 Ų | 215 | 139.2 Ų | 139.2 | 81% | 0.811 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 129.4 | 179.4 | -173.1 | 179.7 | -175.3 | 133.2 | 2.3 | 105.9 | K114 R118 | K114-R116 PolarHBondContact O-N 2.99Å; R116-R118 PolarHBondContact O-N 3.48Å |
| 117 | P | 56.4 | Low | 57.4 | Low | 114 Ų | 114 | 139.6 Ų | 139.6 | 74% | 0.74 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -48.7 | 117.9 | -174.9 | 14.7 | -28.4 | 0 | 0 | 0 | 108.8 | R119 | P117-R119 PolarHBondContact O-N 2.91Š|
| 118 | R | 63.3 | Low | 58.7 | Low | 185 Ų | 185 | 140.6 Ų | 140.6 | 70% | 0.698 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 120.9 | -179.6 | -68.8 | -173.4 | -176.4 | -165.8 | 1.8 | 106.5 | E115 R116 A120 | E115-R118 IonicContact OE1-CZ 3.2Å; E115-R118 IonicContact OE1-NE 2.72Å; E115-R118 PolarHBondContact OE1-NE 3.02Å; E115-R118 IonicContact OE1-NH2 2.8Å; E115-R118 PolarHBondContact OE1-NH2 2.8Å; R116-R118 PolarHBondContact O-N 3.48Å; R118-A120 PolarHBondContact O-N 2.88Å; R118-A120 VanDerWaalsContact O-N 3.15Å |
| 119 | R | 63.4 | Low | 59.9 | Low | 232 Ų | 232 | 139.4 Ų | 139.4 | 88% | 0.875 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -50.2 | 127.3 | 172.4 | -77.6 | -178.4 | 172.6 | -170.4 | -1.7 | 106.9 | P117 T121 | P117-R119 PolarHBondContact O-N 2.91Å; R119-T121 PolarHBondContact O-N 3.23Å |
| 120 | A | 60.4 | Low | 60.2 | Low | 85 Ų | 85 | 134.2 Ų | 134.2 | 70% | 0.702 | 68% | 0.683 | S | S | * | * | trans | -30.1 | 123.4 | -167 | 0 | 0 | 0 | 0 | 0 | 113.4 | R118 R122 | R118-A120 PolarHBondContact O-N 2.88Å; R118-A120 VanDerWaalsContact O-N 3.15Å; A120-R122 HydrophobicContact CB-CB 4.47Å; A120-R122 PolarHBondContact O-N 3.44Å | ||
| 121 | T | 62.2 | Low | 61.2 | Low | 132 Ų | 132 | 136 Ų | 136 | 81% | 0.81 | 68% | 0.684 | S | S | * | * | trans | -64.9 | 19.7 | 170.6 | 40.2 | 0 | 0 | 0 | 0 | 113.2 | R119 P123 | R119-T121 PolarHBondContact O-N 3.23Å; T121-P123 WeakPolarHBondContact O-CD 3.17Å | ||
| 122 | R | 65.4 | Low | 61.8 | Low | 173 Ų | 173 | 135.7 Ų | 135.7 | 65% | 0.653 | 68% | 0.677 | S | S | * | * | trans | -67.8 | 123.6 | 169.7 | -170.7 | -175.1 | -179.9 | 175.1 | 2.4 | 106.4 | A120 C125 | A120-R122 HydrophobicContact CB-CB 4.47Å; A120-R122 PolarHBondContact O-N 3.44Å; R122-C125 PolarHBondContact NE-SG 3.21Å; R122-C125 VanDerWaalsContact NE-SG 3.43Å; R122-C125 PolarHBondContact NH2-SG 3.22Å | ||
| 123 | P | 64.3 | Low | 62.2 | Low | 100 Ų | 100 | 136.6 Ų | 136.6 | 65% | 0.649 | 68% | 0.676 | S | S | * | * | trans | -55.5 | 135.9 | 170.3 | 24 | -32.1 | 0 | 0 | 0 | 107.6 | T121 C125 | T121-P123 WeakPolarHBondContact O-CD 3.17Å; P123-C125 PolarHBondContact O-N 2.78Å | ||
| 124 | P | 68.1 | Low | 62.5 | Low | 56 Ų | 56 | 137.2 Ų | 137.2 | 36% | 0.364 | 68% | 0.676 | S | S | . | * | trans | -49.2 | 114.7 | 177.3 | 18.5 | -31.3 | 0 | 0 | 0 | 108.5 | D129 Y130 | P124-D129 HydrophobicContact CB-CB 3.48Å; P124-D129 VanDerWaalsContact CB-CB 3.48Å; P124-Y130 HydrophobicContact CB-CD1 4.4Å; P124-Y130 HydrophobicContact CB-CD2 4.24Å; P124-Y130 HydrophobicContact CB-CE1 3.91Å; P124-Y130 HydrophobicContact CB-CE2 3.75Å; P124-Y130 HydrophobicContact CG-CD1 4.29Å; P124-Y130 HydrophobicContact CG-CE1 3.49Å; P124-Y130 VanDerWaalsContact CG-CE1 3.49Å; P124-Y130 HydrophobicContact CG-CE2 4.14Å; P124-Y130 VanDerWaalsContact CG-CZ 3.42Å; P124-Y130 WeakPolarHBondContact CG-OH 3.4Å | ||
| 125 | C | 68 | Low | 62.5 | Low | 60 Ų | 60 | 136.3 Ų | 136.3 | 41% | 0.405 | 68% | 0.675 | S | S | . | * | trans | -102 | -19.5 | -169.3 | 69 | 0 | 0 | 0 | 0 | 110.9 | R122 P123 D129 | R122-C125 PolarHBondContact NE-SG 3.21Å; R122-C125 VanDerWaalsContact NE-SG 3.43Å; R122-C125 PolarHBondContact NH2-SG 3.22Å; P123-C125 PolarHBondContact O-N 2.78Å; C125-D129 PolarHBondContact N-OD2 2.69Å; C125-D129 PolarHBondContact SG-OD2 2.72Å; C125-D129 VanDerWaalsContact SG-OD2 3.4Å | ||
| 126 | R | 59.8 | Low | 62.9 | Low | 186 Ų | 186 | 141.2 Ų | 141.2 | 70% | 0.702 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -125.3 | 150 | 177.6 | -70.4 | 176.5 | 176.2 | -179.4 | -1 | 108.8 | A128 D129 | R126-A128 PolarHBondContact O-N 3.11Å; R126-A128 VanDerWaalsContact O-N 3.1Å; R126-D129 PolarHBondContact N-OD2 2.65Å; R126-D129 VanDerWaalsContact O-CB 3.29Å; R126-D129 WeakPolarHBondContact O-CB 3.43Å; R126-D129 PolarHBondContact O-N 3.15Å |
| 127 | F | 60.5 | Low | 62.6 | Low | 137 Ų | 137 | 139.9 Ų | 139.9 | 60% | 0.601 | 69% | 0.69 | S | S | * | * | G | 310 helix | trans | -57.8 | -27.4 | 179.7 | -170.7 | -98.5 | 0 | 0 | 0 | 113 | D129 Y130 I132 | F127-D129 PolarHBondContact O-N 2.88Å; F127-Y130 PolarHBondContact O-N 2.74Å; F127-I132 HydrophobicContact CE1-CD1 3.92Å; F127-I132 HydrophobicContact CZ-CD1 4.04Å |
| 128 | A | 65.7 | Low | 62.7 | Low | 92 Ų | 92 | 145.7 Ų | 145.7 | 76% | 0.76 | 70% | 0.697 | S | S | * | * | G | 310 helix | trans | -69.8 | -13.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | R126 Y130 | R126-A128 PolarHBondContact O-N 3.11Å; R126-A128 VanDerWaalsContact O-N 3.1Å; A128-Y130 PolarHBondContact O-N 2.93Å |
| 129 | D | 67.2 | Low | 62.4 | Low | 83 Ų | 83 | 148 Ų | 148 | 44% | 0.444 | 71% | 0.706 | S | S | . | * | G | 310 helix | trans | -78.7 | -7.8 | 178.1 | -57.3 | -26 | 0 | 0 | 0 | 111.8 | P124 C125 R126 F127 | P124-D129 HydrophobicContact CB-CB 3.48Å; P124-D129 VanDerWaalsContact CB-CB 3.48Å; C125-D129 PolarHBondContact N-OD2 2.69Å; C125-D129 PolarHBondContact SG-OD2 2.72Å; C125-D129 VanDerWaalsContact SG-OD2 3.4Å; R126-D129 PolarHBondContact N-OD2 2.65Å; R126-D129 VanDerWaalsContact O-CB 3.29Å; R126-D129 WeakPolarHBondContact O-CB 3.43Å; R126-D129 PolarHBondContact O-N 3.15Å; F127-D129 PolarHBondContact O-N 2.88Å |
| 130 | Y | 59.5 | Low | 61.9 | Low | 115 Ų | 115 | 145.3 Ų | 145.3 | 45% | 0.451 | 70% | 0.703 | S | S | . | * | S | Bend | trans | -97.3 | 127.6 | 177.9 | -62.3 | -85.1 | 0 | 0 | 0 | 111.3 | P124 F127 A128 I132 | P124-Y130 HydrophobicContact CB-CD1 4.4Å; P124-Y130 HydrophobicContact CB-CD2 4.24Å; P124-Y130 HydrophobicContact CB-CE1 3.91Å; P124-Y130 HydrophobicContact CB-CE2 3.75Å; P124-Y130 HydrophobicContact CG-CD1 4.29Å; P124-Y130 HydrophobicContact CG-CE1 3.49Å; P124-Y130 VanDerWaalsContact CG-CE1 3.49Å; P124-Y130 HydrophobicContact CG-CE2 4.14Å; P124-Y130 VanDerWaalsContact CG-CZ 3.42Å; P124-Y130 WeakPolarHBondContact CG-OH 3.4Å; F127-Y130 PolarHBondContact O-N 2.74Å; A128-Y130 PolarHBondContact O-N 2.93Å; Y130-I132 PolarHBondContact O-N 2.95Å |
| 131 | I | 70.7 | Confident | 61.8 | Low | 165 Ų | 165 | 149.4 Ų | 149.4 | 85% | 0.846 | 71% | 0.708 | S | S | * | * | trans | -76.4 | 113.4 | 167.7 | -57.8 | 176.1 | 0 | 0 | 0 | 107.3 | E133 | I131-E133 PolarHBondContact O-N 2.82Š| ||
| 132 | I | 65.7 | Low | 61.5 | Low | 117 Ų | 117 | 149.6 Ų | 149.6 | 60% | 0.6 | 70% | 0.704 | S | S | * | * | trans | -86.9 | 104 | 173.5 | -55.5 | 174.6 | 0 | 0 | 0 | 106.8 | F127 Y130 T134 | F127-I132 HydrophobicContact CE1-CD1 3.92Å; F127-I132 HydrophobicContact CZ-CD1 4.04Å; Y130-I132 PolarHBondContact O-N 2.95Å; I132-T134 PolarHBondContact O-N 3.43Å | ||
| 133 | E | 64 | Low | 61.2 | Low | 177 Ų | 177 | 148.6 Ų | 148.6 | 83% | 0.827 | 71% | 0.708 | S | S | * | * | trans | -67.1 | 115.2 | 172.4 | -168.3 | 172.5 | -166.6 | 0 | 0 | 109 | I131 Q135 | I131-E133 PolarHBondContact O-N 2.82Å; E133-Q135 PolarHBondContact O-N 2.76Å | ||
| 134 | T | 59.4 | Low | 61.1 | Low | 123 Ų | 123 | 149.1 Ų | 149.1 | 76% | 0.755 | 71% | 0.71 | S | S | * | * | trans | -75 | 93.6 | 172.2 | 40.5 | 0 | 0 | 0 | 0 | 108.2 | I132 R136 | I132-T134 PolarHBondContact O-N 3.43Å; T134-R136 PolarHBondContact O-N 3.33Å | ||
| 135 | Q | 56.3 | Low | 60.8 | Low | 186 Ų | 186 | 154.3 Ų | 154.3 | 87% | 0.869 | 73% | 0.727 | S | S | * | * | trans | -63.2 | 103.7 | 174.3 | -161.5 | 176.2 | 30.1 | 0 | 0 | 108.9 | E133 H137 | E133-Q135 PolarHBondContact O-N 2.76Å; Q135-H137 PolarHBondContact O-N 2.7Å | ||
| 136 | R | 57.4 | Low | 60.6 | Low | 233 Ų | 233 | 156.3 Ų | 156.3 | 88% | 0.879 | 74% | 0.739 | S | S | * | * | trans | -62.9 | 119.2 | 169.6 | -77.5 | -178.8 | 159 | -175.6 | -5.2 | 107.6 | T134 R138 | T134-R136 PolarHBondContact O-N 3.33Å; R136-R138 PolarHBondContact O-N 3.28Å | ||
| 137 | H | 57.9 | Low | 60.5 | Low | 186 Ų | 186 | 159.1 Ų | 159.1 | 86% | 0.861 | 75% | 0.75 | S | S | * | * | trans | -54.4 | 104.4 | 172 | -114.9 | -88.8 | 0 | 0 | 0 | 109.1 | Q135 R139 | Q135-H137 PolarHBondContact O-N 2.7Å; H137-R139 PolarHBondContact O-N 3.28Å | ||
| 138 | R | 56.9 | Low | 60.3 | Low | 237 Ų | 237 | 162.6 Ų | 162.6 | 89% | 0.894 | 77% | 0.765 | S | S | * | * | trans | -67.9 | 124.1 | 160.4 | -110.1 | -176.2 | 177.2 | 162.5 | -0.5 | 106.4 | R136 | R136-R138 PolarHBondContact O-N 3.28Š| ||
| 139 | R | 57.3 | Low | 59.9 | Low | 233 Ų | 233 | 165.4 Ų | 165.4 | 88% | 0.879 | 80% | 0.803 | S | S | * | * | trans | -61 | 137.9 | 178.2 | -68.3 | -179.6 | 176.5 | -179.9 | -1.6 | 108.6 | H137 E141 | H137-R139 PolarHBondContact O-N 3.28Å; R139-E141 PolarHBondContact O-N 3.08Å | ||
| 140 | H | 53.5 | Low | 59.6 | Low | 175 Ų | 175 | 169.6 Ų | 169.6 | 81% | 0.81 | 82% | 0.821 | S | S | * | * | trans | -65 | 104.6 | 176.6 | -179.8 | -74.6 | 0 | 0 | 0 | 108.6 | ||||
| 141 | E | 57.3 | Low | 59.6 | Low | 172 Ų | 172 | 172.4 Ų | 172.4 | 80% | 0.804 | 84% | 0.841 | S | S | * | * | trans | -85 | 118.5 | 169.2 | -69.8 | -169.4 | 172.2 | 0 | 0 | 109.3 | R139 M143 | R139-E141 PolarHBondContact O-N 3.08Å; E141-M143 PolarHBondContact O-N 2.71Å | ||
| 142 | D | 55.7 | Low | 58.9 | Low | 136 Ų | 136 | 172.8 Ų | 172.8 | 73% | 0.727 | 84% | 0.84 | S | S | * | * | trans | 5.3 | 100.6 | 152.2 | -59.9 | -38.8 | 0 | 0 | 0 | 117.6 | ||||
| 143 | M | 59.1 | Low | 58.6 | Low | 151 Ų | 151 | 176.1 Ų | 176.1 | 74% | 0.744 | 85% | 0.854 | S | S | * | * | trans | -101.3 | 72.6 | 155.3 | -72.6 | -78.3 | -102.3 | 0 | 0 | 108.3 | E141 F145 | E141-M143 PolarHBondContact O-N 2.71Å; M143-F145 HydrophobicContact CB-CD2 4.45Å; M143-F145 HydrophobicContact CB-CE2 4.1Å; M143-F145 HydrophobicContact CE-CE2 3.62Å; M143-F145 HydrophobicContact CE-CZ 3.78Å; M143-F145 HydrophobicContact CG-CE2 4.48Å; M143-F145 HydrophobicContact SD-CE2 3.74Å; M143-F145 HydrophobicContact SD-CZ 3.91Å | ||
| 144 | T | 62.4 | Low | 58.2 | Low | 112 Ų | 112 | 176.1 Ų | 176.1 | 69% | 0.687 | 86% | 0.856 | S | S | * | * | trans | -76.8 | 110.5 | 164.2 | -60.2 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 145 | F | 61.6 | Low | 58.1 | Low | 164 Ų | 164 | 179.6 Ų | 179.6 | 72% | 0.719 | 86% | 0.863 | S | S | * | * | trans | -111.2 | 115.3 | 165 | -72 | -77.8 | 0 | 0 | 0 | 109.6 | M143 | M143-F145 HydrophobicContact CB-CD2 4.45Å; M143-F145 HydrophobicContact CB-CE2 4.1Å; M143-F145 HydrophobicContact CE-CE2 3.62Å; M143-F145 HydrophobicContact CE-CZ 3.78Å; M143-F145 HydrophobicContact CG-CE2 4.48Å; M143-F145 HydrophobicContact SD-CE2 3.74Å; M143-F145 HydrophobicContact SD-CZ 3.91Å | ||
| 146 | P | 64.8 | Low | 58.3 | Low | 103 Ų | 103 | 179.1 Ų | 179.1 | 67% | 0.669 | 86% | 0.862 | S | S | * | * | trans | -95.3 | 135.2 | 166.6 | 35.4 | -26.5 | 0 | 0 | 0 | 109.4 | ||||
| 147 | R | 58.5 | Low | 58.3 | Low | 245 Ų | 245 | 175 Ų | 175 | 93% | 0.925 | 86% | 0.861 | S | S | * | * | 162.3 | 133.2 | 114.8 | -91.3 | -178.7 | 167.5 | -145 | -2.3 | 112.2 | |||||
| 148 | K | 55.4 | Low | 58.4 | Low | 209 Ų | 209 | 174.1 Ų | 174.1 | 91% | 0.909 | 86% | 0.861 | S | S | * | * | trans | -44.9 | 140.4 | 157.6 | -78.5 | 178.4 | 161.3 | -176 | 0 | 112.3 | ||||
| 149 | G | 57.9 | Low | 58.5 | Low | 152 Ų | 152 | 168.4 Ų | 168.4 | 100% | 1.567 | 86% | 0.858 | S | S | * | * | trans | -123.3 | 0 | 140.9 | 0 | 0 | 0 | 0 | 0 | 107.1 |
Retrieved 149 of 149 residues in 41.1 ms
(Link to these results)