| 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 | 48.7 | Very low | 63 | Low | 230 Ų | 230 | 95.5 Ų | 95.5 | 100% | 1.204 | 60% | 0.596 | S | S | * | * | 0 | 98.5 | 0 | -77.9 | 116.7 | 0 | 0 | 0 | 108.2 | S3 | L1-S3 PolarHBondContact O-N 2.91Š| |||
| 2 | I | 52.5 | Low | 64 | Low | 142 Ų | 142 | 99.8 Ų | 99.8 | 73% | 0.728 | 60% | 0.6 | S | S | * | * | trans | -76.3 | 122.2 | 171 | -59.2 | 168.7 | 0 | 0 | 0 | 105.6 | A6 V7 | I2-A6 HydrophobicContact CG2-CB 4.07Å; I2-V7 HydrophobicContact CG2-CG2 3.8Å | ||
| 3 | S | 56.7 | Low | 64.7 | Low | 66 Ų | 66 | 95.2 Ų | 95.2 | 46% | 0.462 | 59% | 0.586 | S | S | . | * | trans | -67.5 | 140.1 | -175.6 | 58.9 | 0 | 0 | 0 | 0 | 110.3 | L1 P5 A6 V7 | L1-S3 PolarHBondContact O-N 2.91Å; S3-P5 VanDerWaalsContact C-N 3.26Å; S3-P5 VanDerWaalsContact O-N 3.13Å; S3-A6 WeakPolarHBondContact O-CB 3.44Å; S3-A6 PolarHBondContact O-N 3.45Å; S3-V7 PolarHBondContact O-N 3.37Å | ||
| 4 | A | 58.5 | Low | 64.9 | Low | 80 Ų | 80 | 95.8 Ų | 95.8 | 66% | 0.661 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -44.2 | -39.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | A6 V7 A8 | A4-A6 PolarHBondContact O-N 3.32Å; A4-V7 PolarHBondContact O-N 2.85Å; A4-A8 PolarHBondContact O-N 3.34Å; A4-A8 VanDerWaalsContact O-N 3.12Å |
| 5 | P | 62.9 | Low | 65.2 | Low | 90 Ų | 90 | 96.5 Ų | 96.5 | 58% | 0.584 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -68.1 | -30.6 | 176.1 | 24.8 | -36.3 | 0 | 0 | 0 | 114.3 | S3 A8 A9 | S3-P5 VanDerWaalsContact C-N 3.26Å; S3-P5 VanDerWaalsContact O-N 3.13Å; P5-A8 PolarHBondContact O-N 3.18Å; P5-A9 PolarHBondContact O-N 2.97Å |
| 6 | A | 60.7 | Low | 65.3 | Low | 41 Ų | 41 | 96.9 Ų | 96.9 | 34% | 0.339 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -70.5 | -36.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | I2 S3 A4 V10 | I2-A6 HydrophobicContact CG2-CB 4.07Å; S3-A6 WeakPolarHBondContact O-CB 3.44Å; S3-A6 PolarHBondContact O-N 3.45Å; A4-A6 PolarHBondContact O-N 3.32Å; A6-V10 VanDerWaalsContact O-CG2 3.3Å; A6-V10 WeakPolarHBondContact O-CG2 3.11Å; A6-V10 PolarHBondContact O-N 2.9Å |
| 7 | V | 66.4 | Low | 65.3 | Low | 75 Ų | 75 | 94.3 Ų | 94.3 | 46% | 0.455 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -66.8 | -43.2 | 174.1 | -174.1 | 0 | 0 | 0 | 0 | 110.2 | I2 S3 A4 A9 V10 M11 | I2-V7 HydrophobicContact CG2-CG2 3.8Å; S3-V7 PolarHBondContact O-N 3.37Å; A4-V7 PolarHBondContact O-N 2.85Å; V7-A9 PolarHBondContact O-N 2.94Å; V7-V10 PolarHBondContact O-N 3.46Å; V7-M11 HydrophobicContact CG1-CG 4.37Å; V7-M11 WeakPolarHBondContact O-CG 3.22Å; V7-M11 PolarHBondContact O-N 2.88Å |
| 8 | A | 69.2 | Low | 65.3 | Low | 55 Ų | 55 | 95.3 Ų | 95.3 | 46% | 0.455 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -62.1 | -41.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | A4 P5 M11 F12 | A4-A8 PolarHBondContact O-N 3.34Å; A4-A8 VanDerWaalsContact O-N 3.12Å; P5-A8 PolarHBondContact O-N 3.18Å; A8-M11 PolarHBondContact O-N 2.95Å; A8-F12 WeakPolarHBondContact O-CB 3.11Å; A8-F12 PolarHBondContact O-N 2.89Å |
| 9 | A | 71.9 | Confident | 65.2 | Low | 67 Ų | 67 | 96.9 Ų | 96.9 | 55% | 0.554 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -65.5 | -41.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | P5 V7 F12 G13 | P5-A9 PolarHBondContact O-N 2.97Å; V7-A9 PolarHBondContact O-N 2.94Å; A9-F12 PolarHBondContact O-N 2.92Å; A9-G13 PolarHBondContact O-N 3.41Å |
| 10 | V | 73.1 | Confident | 64.9 | Low | 94 Ų | 94 | 95.9 Ų | 95.9 | 57% | 0.57 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -66 | -40.8 | 176.9 | 173.9 | 0 | 0 | 0 | 0 | 110.9 | A6 V7 G13 L14 | A6-V10 VanDerWaalsContact O-CG2 3.3Å; A6-V10 WeakPolarHBondContact O-CG2 3.11Å; A6-V10 PolarHBondContact O-N 2.9Å; V7-V10 PolarHBondContact O-N 3.46Å; V10-G13 PolarHBondContact O-N 3.01Å; V10-L14 HydrophobicContact CG1-CD1 4.06Å; V10-L14 PolarHBondContact O-N 2.82Å |
| 11 | M | 72.9 | Confident | 64.5 | Low | 111 Ų | 111 | 96.5 Ų | 96.5 | 55% | 0.547 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -66.9 | -39.6 | 177.6 | -67.1 | -58.8 | -68.6 | 0 | 0 | 112.3 | V7 A8 L14 L15 | V7-M11 HydrophobicContact CG1-CG 4.37Å; V7-M11 WeakPolarHBondContact O-CG 3.22Å; V7-M11 PolarHBondContact O-N 2.88Å; A8-M11 PolarHBondContact O-N 2.95Å; M11-L14 PolarHBondContact O-N 3.03Å; M11-L15 WeakPolarHBondContact O-CB 3.29Å; M11-L15 PolarHBondContact O-N 2.02Å |
| 12 | F | 74.2 | Confident | 64.7 | Low | 147 Ų | 147 | 91.6 Ų | 91.6 | 65% | 0.645 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -66.8 | -39.5 | 175 | -117.3 | -91.2 | 0 | 0 | 0 | 112.1 | A8 A9 L15 L16 | A8-F12 WeakPolarHBondContact O-CB 3.11Å; A8-F12 PolarHBondContact O-N 2.89Å; A9-F12 PolarHBondContact O-N 2.92Å; F12-L15 PolarHBondContact O-N 2.87Å; F12-L16 HydrophobicContact CD1-CD1 4.46Å; F12-L16 WeakPolarHBondContact O-CB 3.35Å; F12-L16 VanDerWaalsContact O-CG 3.31Å; F12-L16 WeakPolarHBondContact O-CG 3.41Å; F12-L16 PolarHBondContact O-N 3.48Å |
| 13 | G | 73 | Confident | 64.9 | Low | 40 Ų | 40 | 87.7 Ų | 87.7 | 41% | 0.412 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -62.2 | -42.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | A9 V10 A17 | A9-G13 PolarHBondContact O-N 3.41Å; V10-G13 PolarHBondContact O-N 3.01Å; G13-A17 WeakPolarHBondContact O-CB 3.32Å; G13-A17 PolarHBondContact O-N 2.65Å |
| 14 | L | 67.3 | Low | 64.7 | Low | 103 Ų | 103 | 91.1 Ų | 91.1 | 54% | 0.539 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -64.5 | -41.1 | 173.9 | -82.7 | 158 | 0 | 0 | 0 | 112 | V10 M11 A17 V18 | V10-L14 HydrophobicContact CG1-CD1 4.06Å; V10-L14 PolarHBondContact O-N 2.82Å; M11-L14 PolarHBondContact O-N 3.03Å; L14-A17 PolarHBondContact O-N 3.23Å; L14-V18 VanDerWaalsContact O-CG2 3.31Å; L14-V18 WeakPolarHBondContact O-CG2 3.16Å; L14-V18 PolarHBondContact O-N 3.42Å |
| 15 | L | 69.8 | Low | 64.4 | Low | 106 Ų | 106 | 95.7 Ų | 95.7 | 56% | 0.555 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -65.3 | -41.1 | 178.8 | -138.7 | 109 | 0 | 0 | 0 | 112.1 | M11 F12 V18 L19 | M11-L15 WeakPolarHBondContact O-CB 3.29Å; M11-L15 PolarHBondContact O-N 2.02Å; F12-L15 PolarHBondContact O-N 2.87Å; L15-V18 PolarHBondContact O-N 2.92Å; L15-L19 HydrophobicContact CD2-CD1 4.38Å; L15-L19 WeakPolarHBondContact O-CG 3.33Å; L15-L19 PolarHBondContact O-N 2.77Å; L15-L19 VanDerWaalsContact O-N 3.11Å |
| 16 | L | 67.3 | Low | 64 | Low | 104 Ų | 104 | 101 Ų | 101 | 55% | 0.545 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -67.3 | -36 | 175.5 | -71 | 170.8 | 0 | 0 | 0 | 111.9 | F12 V18 L19 A20 | F12-L16 HydrophobicContact CD1-CD1 4.46Å; F12-L16 WeakPolarHBondContact O-CB 3.35Å; F12-L16 VanDerWaalsContact O-CG 3.31Å; F12-L16 WeakPolarHBondContact O-CG 3.41Å; F12-L16 PolarHBondContact O-N 3.48Å; L16-V18 VanDerWaalsContact C-N 3.34Å; L16-L19 PolarHBondContact O-N 3.08Å; L16-A20 VanDerWaalsContact O-CB 3.31Å; L16-A20 WeakPolarHBondContact O-CB 3.41Å; L16-A20 PolarHBondContact O-N 3.28Å |
| 17 | A | 65.1 | Low | 63.5 | Low | 52 Ų | 52 | 102.6 Ų | 102.6 | 43% | 0.43 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -65.5 | -35.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | G13 L14 | G13-A17 WeakPolarHBondContact O-CB 3.32Å; G13-A17 PolarHBondContact O-N 2.65Å; L14-A17 PolarHBondContact O-N 3.23Å |
| 18 | V | 64.8 | Low | 62.8 | Low | 112 Ų | 112 | 104.2 Ų | 104.2 | 68% | 0.679 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -70.7 | -35.3 | 174.4 | 176.6 | 0 | 0 | 0 | 0 | 112 | L14 L15 L16 | L14-V18 VanDerWaalsContact O-CG2 3.31Å; L14-V18 WeakPolarHBondContact O-CG2 3.16Å; L14-V18 PolarHBondContact O-N 3.42Å; L15-V18 PolarHBondContact O-N 2.92Å; L16-V18 VanDerWaalsContact C-N 3.34Å |
| 19 | L | 63 | Low | 62.3 | Low | 127 Ų | 127 | 108.8 Ų | 108.8 | 67% | 0.665 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -77.7 | -23.3 | 178.2 | -68.8 | 170.1 | 0 | 0 | 0 | 113.5 | L15 L16 | L15-L19 HydrophobicContact CD2-CD1 4.38Å; L15-L19 WeakPolarHBondContact O-CG 3.33Å; L15-L19 PolarHBondContact O-N 2.77Å; L15-L19 VanDerWaalsContact O-N 3.11Å; L16-L19 PolarHBondContact O-N 3.08Å |
| 20 | A | 59.8 | Low | 62.2 | Low | 75 Ų | 75 | 109.3 Ų | 109.3 | 62% | 0.62 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.2 | -3.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | L16 P22 | L16-A20 VanDerWaalsContact O-CB 3.31Å; L16-A20 WeakPolarHBondContact O-CB 3.41Å; L16-A20 PolarHBondContact O-N 3.28Å; A20-P22 WeakPolarHBondContact O-CD 3.14Å |
| 21 | L | 57.8 | Low | 62.3 | Low | 110 Ų | 110 | 114 Ų | 114 | 58% | 0.576 | 64% | 0.644 | S | S | * | * | trans | -113.5 | 73.1 | 175 | -74 | 158.8 | 0 | 0 | 0 | 110.7 | G23 L24 | L21-G23 VanDerWaalsContact C-N 3.27Å; L21-G23 PolarHBondContact O-N 3.34Å; L21-L24 HydrophobicContact CB-CD1 4.1Å; L21-L24 HydrophobicContact CD1-CD1 3.92Å; L21-L24 HydrophobicContact CD2-CD1 4.45Å; L21-L24 HydrophobicContact CG-CD1 4.39Å | ||
| 22 | P | 51.3 | Low | 62.7 | Low | 127 Ų | 127 | 117.7 Ų | 117.7 | 83% | 0.825 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.5 | 88.4 | 171.2 | 30.4 | -31.2 | 0 | 0 | 0 | 108.2 | A20 | A20-P22 WeakPolarHBondContact O-CD 3.14Š|
| 23 | G | 56.5 | Low | 63.3 | Low | 59 Ų | 59 | 113.1 Ų | 113.1 | 61% | 0.608 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 173.3 | -20.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 117.3 | L21 L25 | L21-G23 VanDerWaalsContact C-N 3.27Å; L21-G23 PolarHBondContact O-N 3.34Å; G23-L25 VanDerWaalsContact C-N 3.3Å; G23-L25 PolarHBondContact O-N 2.89Å |
| 24 | L | 53.5 | Low | 63.8 | Low | 138 Ų | 138 | 114.2 Ų | 114.2 | 72% | 0.723 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | -2.6 | -172.8 | -86.9 | 149.1 | 0 | 0 | 0 | 115.5 | L21 | L21-L24 HydrophobicContact CB-CD1 4.1Å; L21-L24 HydrophobicContact CD1-CD1 3.92Å; L21-L24 HydrophobicContact CD2-CD1 4.45Å; L21-L24 HydrophobicContact CG-CD1 4.39Å |
| 25 | L | 52.1 | Low | 64.7 | Low | 176 Ų | 176 | 120 Ų | 120 | 92% | 0.921 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.8 | 15 | -175.7 | -66.9 | 176.7 | 0 | 0 | 0 | 114.8 | G23 | G23-L25 VanDerWaalsContact C-N 3.3Å; G23-L25 PolarHBondContact O-N 2.89Å |
| 26 | R | 53.6 | Low | 65.5 | Low | 202 Ų | 202 | 117 Ų | 117 | 76% | 0.762 | 64% | 0.639 | S | S | * | * | trans | -109.1 | 82.7 | 169.2 | -143.8 | 174.5 | -172.7 | 148.3 | 1.8 | 108.6 | D28 | R26-D28 IonicContact NE-OD2 2.88Å; R26-D28 PolarHBondContact O-N 3.28Å | ||
| 27 | G | 50.4 | Low | 66.3 | Low | 75 Ų | 75 | 115.4 Ų | 115.4 | 77% | 0.773 | 63% | 0.634 | S | S | * | * | trans | -67.8 | 68.8 | 164.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | L29 | G27-L29 VanDerWaalsContact C-N 3.31Å; G27-L29 PolarHBondContact O-N 3.25Å | ||
| 28 | D | 52.9 | Low | 67 | Low | 109 Ų | 109 | 116 Ų | 116 | 58% | 0.583 | 64% | 0.639 | S | S | * | * | trans | -74.5 | 93.4 | 166.1 | -77.1 | -26.8 | 0 | 0 | 0 | 106.4 | R26 V30 | R26-D28 IonicContact NE-OD2 2.88Å; R26-D28 PolarHBondContact O-N 3.28Å; D28-V30 HydrophobicContact CB-CG2 4.02Å; D28-V30 PolarHBondContact O-N 3.07Å | ||
| 29 | L | 58.2 | Low | 67.5 | Low | 150 Ų | 150 | 118.3 Ų | 118.3 | 79% | 0.785 | 64% | 0.642 | S | S | * | * | trans | -64.7 | 79.2 | 167.4 | -86.1 | 150.9 | 0 | 0 | 0 | 108.7 | G27 F31 | G27-L29 VanDerWaalsContact C-N 3.31Å; G27-L29 PolarHBondContact O-N 3.25Å; L29-F31 PolarHBondContact O-N 2.03Å | ||
| 30 | V | 70.1 | Confident | 68 | Low | 78 Ų | 78 | 116.3 Ų | 116.3 | 47% | 0.473 | 63% | 0.632 | S | S | . | * | trans | -84.8 | 99.8 | 174.8 | -172.9 | 0 | 0 | 0 | 0 | 108.3 | D28 R32 | D28-V30 HydrophobicContact CB-CG2 4.02Å; D28-V30 PolarHBondContact O-N 3.07Å; V30-R32 HydrophobicContact CG1-CG 3.9Å; V30-R32 PolarHBondContact O-N 2.79Å; V30-R32 VanDerWaalsContact O-N 3.08Å | ||
| 31 | F | 74.4 | Confident | 68.9 | Low | 194 Ų | 194 | 117.6 Ų | 117.6 | 85% | 0.851 | 63% | 0.625 | S | S | * | * | trans | -64.2 | 108.6 | 169.8 | -65.7 | -83.1 | 0 | 0 | 0 | 109.3 | L29 | L29-F31 PolarHBondContact O-N 2.03Š| ||
| 32 | R | 82.1 | Confident | 70 | Confident | 187 Ų | 187 | 119 Ų | 119 | 71% | 0.706 | 63% | 0.633 | S | S | * | * | trans | -108.6 | 147.1 | 174.6 | -68.2 | -169.2 | 167.6 | 86.6 | -0.9 | 109.4 | V30 | V30-R32 HydrophobicContact CG1-CG 3.9Å; V30-R32 PolarHBondContact O-N 2.79Å; V30-R32 VanDerWaalsContact O-N 3.08Å | ||
| 33 | C | 85.6 | Confident | 71.6 | Confident | 51 Ų | 51 | 116.3 Ų | 116.3 | 35% | 0.345 | 63% | 0.629 | S | S | . | * | P | Polyproline II helix | trans | -58 | 145.8 | 168.8 | -71.3 | 0 | 0 | 0 | 0 | 110.2 | R55 C59 | C33-R55 PolarHBondContact SG-NH2 2.87Å; C33-R55 VanDerWaalsContact SG-NH2 3.35Å; C33-C59 VanDerWaalsContact CA-SG 3.54Å; C33-C59 HydrophobicContact CB-CB 3.76Å; C33-C59 WeakPolarHBondContact CB-SG 3.3Å; C33-C59 WeakPolarHBondContact SG-CA 3.37Å; C33-C59 WeakPolarHBondContact SG-CB 3.02Å; C33-C59 CovalentContact SG-SG 2.05Å; C33-C59 PolarHBondContact SG-SG 3.42Å |
| 34 | P | 84.1 | Confident | 73.1 | Confident | 64 Ų | 64 | 114.6 Ų | 114.6 | 42% | 0.416 | 61% | 0.607 | S | S | . | * | P | Polyproline II helix | trans | -58.3 | 153.7 | 169.7 | 26.4 | -33.7 | 0 | 0 | 0 | 110.2 | L219 | P34-L219 HydrophobicContact CB-CD2 4.38Å; P34-L219 HydrophobicContact CG-CD2 4.13Å |
| 35 | R | 86.2 | Confident | 74.7 | Confident | 225 Ų | 225 | 112.2 Ų | 112.2 | 85% | 0.849 | 60% | 0.599 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 139.9 | 175.7 | -62.3 | -64.3 | -173.8 | 166.6 | 1.5 | 109.1 | T37 | R35-T37 PolarHBondContact O-N 3.22Š|
| 36 | C | 86.4 | Confident | 76.3 | Confident | 42 Ų | 42 | 113.2 Ų | 113.2 | 28% | 0.284 | 60% | 0.597 | S | S | . | * | P | Polyproline II helix | trans | -74.6 | 123.9 | 171.8 | -60.5 | 0 | 0 | 0 | 0 | 109.4 | Q41 C61 | C36-Q41 HydrophobicContact CB-CG 4.46Å; C36-C61 WeakPolarHBondContact CA-SG 3.25Å; C36-C61 HydrophobicContact CB-CB 3.72Å; C36-C61 WeakPolarHBondContact CB-SG 3.3Å; C36-C61 WeakPolarHBondContact SG-CA 3.5Å; C36-C61 WeakPolarHBondContact SG-CB 3.49Å; C36-C61 CovalentContact SG-SG 2.04Å; C36-C61 PolarHBondContact SG-SG 3.14Å |
| 37 | T | 85 | Confident | 77.8 | Confident | 71 Ų | 71 | 106 Ų | 106 | 44% | 0.436 | 57% | 0.574 | S | S | . | * | P | Polyproline II helix | trans | -85.2 | 158 | 172.1 | 54.4 | 0 | 0 | 0 | 0 | 110.1 | R35 E39 N40 Q41 | R35-T37 PolarHBondContact O-N 3.22Å; T37-E39 VanDerWaalsContact C-N 3.26Å; T37-E39 PolarHBondContact O-N 3.35Å; T37-N40 PolarHBondContact O-N 2.84Å; T37-N40 PolarHBondContact OG1-ND2 2.86Å; T37-Q41 PolarHBondContact O-N 3.07Å |
| 38 | A | 79.2 | Confident | 79 | Confident | 65 Ų | 65 | 108.2 Ų | 108.2 | 54% | 0.537 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -58.6 | -40.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | N40 Q41 D42 | A38-N40 VanDerWaalsContact C-N 3.31Å; A38-N40 PolarHBondContact O-N 2.83Å; A38-Q41 WeakPolarHBondContact O-CA 3.09Å; A38-Q41 WeakPolarHBondContact O-CB 3.08Å; A38-Q41 PolarHBondContact O-N 2.82Å; A38-D42 VanDerWaalsContact O-CG 3.24Å; A38-D42 PolarHBondContact O-N 2.04Å |
| 39 | E | 76.4 | Confident | 80.3 | Confident | 160 Ų | 160 | 110.6 Ų | 110.6 | 75% | 0.748 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -56.9 | -41.3 | 176.7 | -171.4 | 173.3 | -170 | 0 | 0 | 112.9 | T37 Q41 | T37-E39 VanDerWaalsContact C-N 3.26Å; T37-E39 PolarHBondContact O-N 3.35Å; E39-Q41 VanDerWaalsContact C-N 3.26Å; E39-Q41 PolarHBondContact O-N 2.89Å |
| 40 | N | 72.8 | Confident | 81.7 | Confident | 85 Ų | 85 | 105.2 Ų | 105.2 | 46% | 0.455 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -72.8 | -18.6 | 177.1 | -73 | -6.3 | 0 | 0 | 0 | 113.2 | T37 A38 C44 | T37-N40 PolarHBondContact O-N 2.84Å; T37-N40 PolarHBondContact OG1-ND2 2.86Å; A38-N40 VanDerWaalsContact C-N 3.31Å; A38-N40 PolarHBondContact O-N 2.83Å; N40-C44 PolarHBondContact O-SG 3.31Å; N40-C44 VanDerWaalsContact O-SG 3.39Å |
| 41 | Q | 78.4 | Confident | 82.5 | Confident | 102 Ų | 102 | 107.9 Ų | 107.9 | 48% | 0.477 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -91.3 | -32.1 | 178.5 | -70.2 | 177.1 | -0.8 | 0 | 0 | 112.2 | C36 T37 A38 E39 G43 C44 | C36-Q41 HydrophobicContact CB-CG 4.46Å; T37-Q41 PolarHBondContact O-N 3.07Å; A38-Q41 WeakPolarHBondContact O-CA 3.09Å; A38-Q41 WeakPolarHBondContact O-CB 3.08Å; A38-Q41 PolarHBondContact O-N 2.82Å; E39-Q41 VanDerWaalsContact C-N 3.26Å; E39-Q41 PolarHBondContact O-N 2.89Å; Q41-G43 PolarHBondContact O-N 3.39Å; Q41-C44 VanDerWaalsContact O-CB 3.31Å; Q41-C44 WeakPolarHBondContact O-CB 3.33Å; Q41-C44 PolarHBondContact O-N 3.11Å; Q41-C44 VanDerWaalsContact O-N 3.11Å |
| 42 | D | 80.4 | Confident | 83.4 | Confident | 140 Ų | 140 | 101.3 Ų | 101.3 | 75% | 0.749 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -65.2 | -27.5 | -179.7 | -68.9 | -24.2 | 0 | 0 | 0 | 112.5 | A38 C44 | A38-D42 VanDerWaalsContact O-CG 3.24Å; A38-D42 PolarHBondContact O-N 2.04Å; D42-C44 VanDerWaalsContact C-N 3.35Å |
| 43 | G | 84.6 | Confident | 83.8 | Confident | 70 Ų | 70 | 98.2 Ų | 98.2 | 72% | 0.722 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -1.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q41 | Q41-G43 PolarHBondContact O-N 3.39Š|
| 44 | C | 89.1 | Confident | 84.1 | Confident | 22 Ų | 22 | 96.8 Ų | 96.8 | 15% | 0.149 | 53% | 0.533 | C | S | . | . | S | Bend | trans | -73.4 | 144.4 | -174.1 | -69.6 | 0 | 0 | 0 | 0 | 112.8 | N40 Q41 D42 K46 C62 | N40-C44 PolarHBondContact O-SG 3.31Å; N40-C44 VanDerWaalsContact O-SG 3.39Å; Q41-C44 VanDerWaalsContact O-CB 3.31Å; Q41-C44 WeakPolarHBondContact O-CB 3.33Å; Q41-C44 PolarHBondContact O-N 3.11Å; Q41-C44 VanDerWaalsContact O-N 3.11Å; D42-C44 VanDerWaalsContact C-N 3.35Å; C44-K46 PolarHBondContact O-N 2.95Å; C44-C62 VanDerWaalsContact CA-SG 3.57Å; C44-C62 HydrophobicContact CB-CB 3.69Å; C44-C62 WeakPolarHBondContact CB-SG 3.46Å; C44-C62 WeakPolarHBondContact SG-CA 3.4Å; C44-C62 WeakPolarHBondContact SG-CB 3.02Å; C44-C62 CovalentContact SG-SG 2.04Å; C44-C62 PolarHBondContact SG-SG 2.92Å |
| 45 | P | 87.3 | Confident | 84.4 | Confident | 88 Ų | 88 | 97.4 Ų | 97.4 | 57% | 0.571 | 53% | 0.527 | S | S | * | . | trans | -62.4 | 135.3 | 175.4 | 26.5 | -33.4 | 0 | 0 | 0 | 110.5 | V47 | P45-V47 PolarHBondContact O-N 3.31Š| ||
| 46 | K | 85.4 | Confident | 84.6 | Confident | 198 Ų | 198 | 88.8 Ų | 88.8 | 86% | 0.861 | 50% | 0.496 | S | S | * | . | trans | -70.9 | 115.6 | 175.2 | -73.7 | -176.7 | -179.8 | 177.9 | 0 | 109.8 | C44 | C44-K46 PolarHBondContact O-N 2.95Š| ||
| 47 | V | 84.8 | Confident | 84.8 | Confident | 49 Ų | 49 | 87 Ų | 87 | 30% | 0.297 | 49% | 0.485 | S | S | . | . | trans | -97.1 | 114.2 | 176.3 | -169.4 | 0 | 0 | 0 | 0 | 108.7 | P45 C50 P63 | P45-V47 PolarHBondContact O-N 3.31Å; V47-C50 WeakPolarHBondContact CG1-SG 3.04Å; V47-P63 WeakPolarHBondContact CG2-O 3.45Å | ||
| 48 | T | 75.3 | Confident | 84.9 | Confident | 122 Ų | 122 | 85.3 Ų | 85.3 | 75% | 0.748 | 48% | 0.481 | S | S | * | . | trans | -108 | -12.4 | -169 | 50.4 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 49 | L | 81.5 | Confident | 85.4 | Confident | 159 Ų | 159 | 83.7 Ų | 83.7 | 83% | 0.832 | 47% | 0.465 | S | S | * | . | S | Bend | trans | -137.8 | 64.2 | -170.5 | -87.4 | 142.1 | 0 | 0 | 0 | 112 | ||
| 50 | C | 86.3 | Confident | 85.9 | Confident | 38 Ų | 38 | 76.1 Ų | 76.1 | 26% | 0.257 | 43% | 0.43 | S | S | . | . | trans | -126.7 | 146.6 | 169.2 | -44.1 | 0 | 0 | 0 | 0 | 110.7 | V47 M53 C65 | V47-C50 WeakPolarHBondContact CG1-SG 3.04Å; C50-M53 HydrophobicContact CB-CG 4.47Å; C50-C65 HydrophobicContact CB-CB 3.75Å; C50-C65 WeakPolarHBondContact CB-SG 3.42Å; C50-C65 WeakPolarHBondContact SG-CA 3.49Å; C50-C65 WeakPolarHBondContact SG-CB 3.3Å; C50-C65 CovalentContact SG-SG 2.02Å; C50-C65 PolarHBondContact SG-SG 3.31Å | ||
| 51 | T | 86.6 | Confident | 86.7 | Confident | 134 Ų | 134 | 73.3 Ų | 73.3 | 82% | 0.822 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -65.4 | -40.8 | 168.9 | -47.5 | 0 | 0 | 0 | 0 | 111.5 | ||
| 52 | E | 92.9 | Very high | 87.2 | Confident | 55 Ų | 55 | 69.4 Ų | 69.4 | 26% | 0.257 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -141.5 | 138.3 | 178.9 | -176.8 | -179.8 | 158.2 | 0 | 0 | 109.8 | V54 A66 S81 T82 | E52-V54 HydrophobicContact CG-CG1 4.48Å; E52-A66 HydrophobicContact CB-CB 3.91Å; E52-A66 HydrophobicContact CG-CB 4.16Å; E52-A66 PolarHBondContact O-N 3.08Å; E52-S81 WeakPolarHBondContact OE2-CA 3Å; E52-S81 WeakPolarHBondContact OE2-CB 3.49Å; E52-T82 VanDerWaalsContact CD-N 3.31Å; E52-T82 PolarHBondContact OE1-N 3.24Å; E52-T82 PolarHBondContact OE1-OG1 3.26Å; E52-T82 PolarHBondContact OE2-N 3.47Å |
| 53 | M | 91.6 | Very high | 87.7 | Confident | 122 Ų | 122 | 65.1 Ų | 65.1 | 60% | 0.601 | 38% | 0.38 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 126.8 | 174.7 | -72 | -177 | -75.9 | 0 | 0 | 109.9 | C50 P63 V64 | C50-M53 HydrophobicContact CB-CG 4.47Å; M53-P63 HydrophobicContact CB-CB 4.45Å; M53-P63 HydrophobicContact SD-CB 4.3Å; M53-V64 WeakPolarHBondContact CA-O 3.36Å |
| 54 | V | 92.1 | Very high | 88.1 | Confident | 21 Ų | 21 | 63.2 Ų | 63.2 | 13% | 0.127 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 162.2 | 175.3 | -66.9 | 0 | 0 | 0 | 0 | 109.6 | E52 P63 V64 A66 R79 | E52-V54 HydrophobicContact CG-CG1 4.48Å; V54-P63 WeakPolarHBondContact O-CA 3.25Å; V54-V64 HydrophobicContact CG2-CG2 4Å; V54-V64 PolarHBondContact N-O 3.04Å; V54-V64 PolarHBondContact O-N 3.21Å; V54-A66 HydrophobicContact CB-CB 4.48Å; V54-A66 HydrophobicContact CG1-CB 3.69Å; V54-A66 HydrophobicContact CG2-CB 4.04Å; V54-R79 HydrophobicContact CB-CB 4.22Å; V54-R79 HydrophobicContact CG1-CB 4.44Å; V54-R79 HydrophobicContact CG2-CB 3.99Å |
| 55 | R | 89.8 | Confident | 88.3 | Confident | 77 Ų | 77 | 64.8 Ų | 64.8 | 29% | 0.291 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 146.7 | 172.2 | -161.1 | 177.2 | 84.5 | 128.7 | -15 | 110.5 | C33 G58 C59 G60 | C33-R55 PolarHBondContact SG-NH2 2.87Å; C33-R55 VanDerWaalsContact SG-NH2 3.35Å; R55-G58 PolarHBondContact NH2-O 2.83Å; R55-C59 PolarHBondContact NH1-O 2.91Å; R55-C59 VanDerWaalsContact NH1-O 3.08Å; R55-G60 WeakPolarHBondContact CD-O 3.31Å; R55-G60 WeakPolarHBondContact CG-O 3.07Å; R55-G60 PolarHBondContact NE-O 3.38Å; R55-G60 PolarHBondContact NH1-O 2.03Å |
| 56 | E | 91.1 | Very high | 88.7 | Confident | 44 Ų | 44 | 61.1 Ų | 61.1 | 21% | 0.206 | 34% | 0.342 | C | S | . | . | trans | -44.7 | 152.7 | 165.2 | -79.7 | 174.6 | 144 | 0 | 0 | 113.3 | G60 C61 C62 V64 | E56-G60 WeakPolarHBondContact OE2-CA 3.32Å; E56-C61 PolarHBondContact OE2-N 2.88Å; E56-C62 HydrophobicContact CG-CB 4.29Å; E56-C62 WeakPolarHBondContact CG-O 3.25Å; E56-C62 PolarHBondContact N-O 2.7Å; E56-C62 VanDerWaalsContact N-O 3.07Å; E56-C62 WeakPolarHBondContact OE2-CB 3.43Å; E56-C62 PolarHBondContact OE2-N 2.79Å; E56-V64 HydrophobicContact CG-CG1 3.59Å; E56-V64 HydrophobicContact CG-CG2 4.42Å | ||
| 57 | P | 90.3 | Very high | 89.1 | Confident | 6 Ų | 6 | 55.6 Ų | 55.6 | 4% | 0.039 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -55.4 | 162.5 | 173.7 | 22.8 | -32.2 | 0 | 0 | 0 | 112 | C59 G60 G247 | P57-C59 PolarHBondContact O-N 2.92Å; P57-C59 VanDerWaalsContact O-N 3.14Å; P57-G60 PolarHBondContact O-N 2.78Å; P57-G247 WeakPolarHBondContact CG-O 3.49Å; P57-G247 VanDerWaalsContact O-CA 3.31Å; P57-G247 WeakPolarHBondContact O-CA 3.2Å |
| 58 | G | 87.8 | Confident | 89.6 | Confident | 34 Ų | 34 | 57.1 Ų | 57.1 | 35% | 0.351 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54 | -117.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113 | R55 | R55-G58 PolarHBondContact NH2-O 2.83Š|
| 59 | C | 88.1 | Confident | 90.6 | Very high | 32 Ų | 32 | 56.2 Ų | 56.2 | 22% | 0.216 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.7 | 13.5 | -177.8 | -61.5 | 0 | 0 | 0 | 0 | 115.3 | C33 R55 P57 | C33-C59 VanDerWaalsContact CA-SG 3.54Å; C33-C59 HydrophobicContact CB-CB 3.76Å; C33-C59 WeakPolarHBondContact CB-SG 3.3Å; C33-C59 WeakPolarHBondContact SG-CA 3.37Å; C33-C59 WeakPolarHBondContact SG-CB 3.02Å; C33-C59 CovalentContact SG-SG 2.05Å; C33-C59 PolarHBondContact SG-SG 3.42Å; R55-C59 PolarHBondContact NH1-O 2.91Å; R55-C59 VanDerWaalsContact NH1-O 3.08Å; P57-C59 PolarHBondContact O-N 2.92Å; P57-C59 VanDerWaalsContact O-N 3.14Å |
| 60 | G | 87.1 | Confident | 91.2 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 29% | 0.286 | C | S | . | . | trans | -60.9 | 149.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113 | R55 E56 P57 | R55-G60 WeakPolarHBondContact CD-O 3.31Å; R55-G60 WeakPolarHBondContact CG-O 3.07Å; R55-G60 PolarHBondContact NE-O 3.38Å; R55-G60 PolarHBondContact NH1-O 2.03Å; E56-G60 WeakPolarHBondContact OE2-CA 3.32Å; P57-G60 PolarHBondContact O-N 2.78Å | ||
| 61 | C | 89.6 | Confident | 91.7 | Very high | 27 Ų | 27 | 51.9 Ų | 51.9 | 18% | 0.182 | 29% | 0.29 | C | S | . | . | trans | -105 | -8.7 | -174.4 | -75.3 | 0 | 0 | 0 | 0 | 113.5 | C36 E56 | C36-C61 WeakPolarHBondContact CA-SG 3.25Å; C36-C61 HydrophobicContact CB-CB 3.72Å; C36-C61 WeakPolarHBondContact CB-SG 3.3Å; C36-C61 WeakPolarHBondContact SG-CA 3.5Å; C36-C61 WeakPolarHBondContact SG-CB 3.49Å; C36-C61 CovalentContact SG-SG 2.04Å; C36-C61 PolarHBondContact SG-SG 3.14Å; E56-C61 PolarHBondContact OE2-N 2.88Å | ||
| 62 | C | 90.3 | Very high | 92.1 | Very high | 20 Ų | 20 | 50.4 Ų | 50.4 | 14% | 0.135 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -86.2 | 153.3 | -177.6 | -62 | 0 | 0 | 0 | 0 | 112.4 | C44 E56 | C44-C62 VanDerWaalsContact CA-SG 3.57Å; C44-C62 HydrophobicContact CB-CB 3.69Å; C44-C62 WeakPolarHBondContact CB-SG 3.46Å; C44-C62 WeakPolarHBondContact SG-CA 3.4Å; C44-C62 WeakPolarHBondContact SG-CB 3.02Å; C44-C62 CovalentContact SG-SG 2.04Å; C44-C62 PolarHBondContact SG-SG 2.92Å; E56-C62 HydrophobicContact CG-CB 4.29Å; E56-C62 WeakPolarHBondContact CG-O 3.25Å; E56-C62 PolarHBondContact N-O 2.7Å; E56-C62 VanDerWaalsContact N-O 3.07Å; E56-C62 WeakPolarHBondContact OE2-CB 3.43Å; E56-C62 PolarHBondContact OE2-N 2.79Å |
| 63 | P | 90.8 | Very high | 92.3 | Very high | 49 Ų | 49 | 47.9 Ų | 47.9 | 32% | 0.318 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 141.4 | 171 | 31.5 | -33.2 | 0 | 0 | 0 | 110.7 | V47 M53 V54 | V47-P63 WeakPolarHBondContact CG2-O 3.45Å; M53-P63 HydrophobicContact CB-CB 4.45Å; M53-P63 HydrophobicContact SD-CB 4.3Å; V54-P63 WeakPolarHBondContact O-CA 3.25Å |
| 64 | V | 92.6 | Very high | 92.5 | Very high | 31 Ų | 31 | 42.7 Ų | 42.7 | 19% | 0.188 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 160.9 | 171.8 | -66.8 | 0 | 0 | 0 | 0 | 109.9 | M53 V54 E56 A66 P78 | M53-V64 WeakPolarHBondContact CA-O 3.36Å; V54-V64 HydrophobicContact CG2-CG2 4Å; V54-V64 PolarHBondContact N-O 3.04Å; V54-V64 PolarHBondContact O-N 3.21Å; E56-V64 HydrophobicContact CG-CG1 3.59Å; E56-V64 HydrophobicContact CG-CG2 4.42Å; V64-A66 PolarHBondContact O-N 2.04Å; V64-P78 HydrophobicContact CG2-CB 3.94Å; V64-P78 HydrophobicContact CG2-CG 4.37Å |
| 65 | C | 93.4 | Very high | 92.5 | Very high | 54 Ų | 54 | 45.5 Ų | 45.5 | 37% | 0.365 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 136.4 | 174.1 | -62.5 | 0 | 0 | 0 | 0 | 111 | C50 P78 | C50-C65 HydrophobicContact CB-CB 3.75Å; C50-C65 WeakPolarHBondContact CB-SG 3.42Å; C50-C65 WeakPolarHBondContact SG-CA 3.49Å; C50-C65 WeakPolarHBondContact SG-CB 3.3Å; C50-C65 CovalentContact SG-SG 2.02Å; C50-C65 PolarHBondContact SG-SG 3.31Å; C65-P78 WeakPolarHBondContact O-CB 3.45Å |
| 66 | A | 94.9 | Very high | 92.6 | Very high | 11 Ų | 11 | 45.1 Ų | 45.1 | 9% | 0.091 | 25% | 0.254 | C | S | . | . | P | Polyproline II helix | trans | -68.3 | 147.9 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | E52 V54 V64 R79 | E52-A66 HydrophobicContact CB-CB 3.91Å; E52-A66 HydrophobicContact CG-CB 4.16Å; E52-A66 PolarHBondContact O-N 3.08Å; V54-A66 HydrophobicContact CB-CB 4.48Å; V54-A66 HydrophobicContact CG1-CB 3.69Å; V54-A66 HydrophobicContact CG2-CB 4.04Å; V64-A66 PolarHBondContact O-N 2.04Å; A66-R79 CarbonylContact C-O 3.59Å; A66-R79 VanDerWaalsContact CA-O 3.32Å; A66-R79 WeakPolarHBondContact CA-O 3.33Å |
| 67 | R | 94.9 | Very high | 92.7 | Very high | 82 Ų | 82 | 44.2 Ų | 44.2 | 31% | 0.309 | 25% | 0.252 | S | S | . | . | B | Isolated β-bridge | trans | -79.5 | 138.3 | 173.6 | -65.5 | -66.5 | -171.6 | 153.1 | 3.7 | 111.1 | E71 P78 R79 C80 S81 C106 | R67-E71 WeakPolarHBondContact CA-OE2 3.09Å; R67-E71 HydrophobicContact CB-CB 4.33Å; R67-E71 WeakPolarHBondContact CD-OE2 3.1Å; R67-P78 HydrophobicContact CG-CB 4.23Å; R67-P78 WeakPolarHBondContact CG-O 2.97Å; R67-R79 PolarHBondContact N-O 3.39Å; R67-C80 CarbonylContact O-C 3.54Å; R67-C80 WeakPolarHBondContact O-CA 3.04Å; R67-S81 PolarHBondContact O-N 3.18Å; R67-C106 WeakPolarHBondContact CB-SG 3.27Å |
| 68 | L | 94.9 | Very high | 92.9 | Very high | 82 Ų | 82 | 45.6 Ų | 45.6 | 43% | 0.429 | 26% | 0.261 | S | S | . | . | P | Polyproline II helix | trans | -86.6 | 168 | -177.9 | -57.4 | 177.9 | 0 | 0 | 0 | 112.1 | G70 E71 C106 | L68-G70 PolarHBondContact O-N 3.45Å; L68-E71 HydrophobicContact CB-CG 4.09Å; L68-E71 PolarHBondContact N-OE2 3.31Å; L68-E71 WeakPolarHBondContact O-CB 3.31Å; L68-E71 PolarHBondContact O-N 3.48Å; L68-E71 VanDerWaalsContact O-N 3.08Å; L68-C106 VanDerWaalsContact O-CB 3.29Å; L68-C106 WeakPolarHBondContact O-CB 3.45Å |
| 69 | E | 95.8 | Very high | 93.2 | Very high | 103 Ų | 103 | 50.4 Ų | 50.4 | 48% | 0.481 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | 129.4 | 177.3 | -173.5 | 169.1 | -160.5 | 0 | 0 | 111.2 | E71 L84 R108 | E69-E71 VanDerWaalsContact C-N 3.28Å; E69-E71 PolarHBondContact O-N 3.33Å; E69-L84 HydrophobicContact CB-CD1 3.97Å; E69-L84 HydrophobicContact CB-CD2 4.28Å; E69-L84 HydrophobicContact CG-CD2 4.42Å; E69-L84 VanDerWaalsContact N-CD1 3.35Å; E69-R108 WeakPolarHBondContact OE1-CG 3.35Å; E69-R108 IonicContact OE1-CZ 3.64Å; E69-R108 IonicContact OE1-NE 3.18Å; E69-R108 PolarHBondContact OE1-NE 2.04Å; E69-R108 IonicContact OE1-NH2 3.71Å; E69-R108 IonicContact OE2-CZ 3.49Å; E69-R108 IonicContact OE2-NE 3.67Å; E69-R108 PolarHBondContact OE2-NE 3.23Å; E69-R108 IonicContact OE2-NH2 2.91Å; E69-R108 PolarHBondContact OE2-NH2 2.84Å |
| 70 | G | 93.9 | Very high | 93.5 | Very high | 33 Ų | 33 | 49.7 Ų | 49.7 | 34% | 0.34 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.5 | -12.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | L68 R105 C106 | L68-G70 PolarHBondContact O-N 3.45Å; G70-R105 PolarHBondContact O-NH1 3.42Å; G70-C106 PolarHBondContact N-O 3.39Å |
| 71 | E | 96.3 | Very high | 93.9 | Very high | 72 Ų | 72 | 50.7 Ų | 50.7 | 34% | 0.336 | 27% | 0.27 | S | S | . | . | trans | -67.9 | 153.5 | 176.7 | -67.5 | -165.5 | 142.8 | 0 | 0 | 112.5 | R67 L68 E69 R105 C106 | R67-E71 WeakPolarHBondContact CA-OE2 3.09Å; R67-E71 HydrophobicContact CB-CB 4.33Å; R67-E71 WeakPolarHBondContact CD-OE2 3.1Å; L68-E71 HydrophobicContact CB-CG 4.09Å; L68-E71 PolarHBondContact N-OE2 3.31Å; L68-E71 WeakPolarHBondContact O-CB 3.31Å; L68-E71 PolarHBondContact O-N 3.48Å; L68-E71 VanDerWaalsContact O-N 3.08Å; E69-E71 VanDerWaalsContact C-N 3.28Å; E69-E71 PolarHBondContact O-N 3.33Å; E71-R105 VanDerWaalsContact O-CA 3.3Å; E71-R105 WeakPolarHBondContact O-CA 3.45Å; E71-C106 PolarHBondContact O-N 3.41Å; E71-C106 VanDerWaalsContact O-N 3.07Å | ||
| 72 | F | 96.4 | Very high | 94.1 | Very high | 104 Ų | 104 | 54.9 Ų | 54.9 | 46% | 0.456 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 133.8 | 175.6 | -72.1 | -68.9 | 0 | 0 | 0 | 111.8 | G104 | F72-G104 CarbonylContact C-O 3.52Å; F72-G104 VanDerWaalsContact CA-O 3.25Å; F72-G104 WeakPolarHBondContact CA-O 3.46Å |
| 73 | C | 96.2 | Very high | 94.2 | Very high | 1 Ų | 1 | 55.9 Ų | 55.9 | 1% | 0.007 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 164 | -177.8 | 70.5 | 0 | 0 | 0 | 0 | 112.1 | T77 C86 G102 G104 R105 | C73-T77 WeakPolarHBondContact CA-OG1 3.38Å; C73-C86 HydrophobicContact CB-CB 3.91Å; C73-C86 WeakPolarHBondContact CB-SG 3.11Å; C73-C86 WeakPolarHBondContact SG-CA 3.31Å; C73-C86 WeakPolarHBondContact SG-CB 3.08Å; C73-C86 CovalentContact SG-SG 2.03Å; C73-C86 PolarHBondContact SG-SG 3.32Å; C73-G102 CarbonylContact O-C 3.54Å; C73-G102 WeakPolarHBondContact O-CA 3.41Å; C73-G104 PolarHBondContact N-O 3.44Å; C73-G104 CarbonylContact O-C 3.53Å; C73-G104 VanDerWaalsContact O-CA 3.25Å; C73-G104 WeakPolarHBondContact O-CA 3.28Å; C73-G104 PolarHBondContact O-N 3.32Å; C73-G104 VanDerWaalsContact SG-C 3.51Å; C73-R105 PolarHBondContact SG-N 3.31Å; C73-R105 VanDerWaalsContact SG-N 3.42Å |
| 74 | G | 95.1 | Very high | 94.4 | Very high | 13 Ų | 13 | 55 Ų | 55 | 13% | 0.134 | 30% | 0.301 | C | S | . | . | trans | -177.5 | -168.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y76 T77 C86 L99 | G74-Y76 VanDerWaalsContact C-N 3.3Å; G74-Y76 PolarHBondContact O-N 3.48Å; G74-T77 PolarHBondContact N-OG1 3.12Å; G74-T77 PolarHBondContact O-N 3.26Å; G74-T77 PolarHBondContact O-OG1 3.11Å; G74-C86 PolarHBondContact N-SG 3.32Å; G74-C86 VanDerWaalsContact N-SG 3.38Å; G74-L99 CarbonylContact C-O 3.5Å; G74-L99 WeakPolarHBondContact CA-O 3.29Å | ||
| 75 | V | 93.5 | Very high | 94.5 | Very high | 80 Ų | 80 | 58.2 Ų | 58.2 | 49% | 0.485 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -36.2 | -175.2 | 177.9 | 0 | 0 | 0 | 0 | 112.4 | L99 I100 | V75-L99 HydrophobicContact CG2-CB 4.43Å; V75-L99 PolarHBondContact N-O 3.3Å; V75-I100 HydrophobicContact CG2-CG1 4.12Å |
| 76 | Y | 91.9 | Very high | 94.6 | Very high | 69 Ų | 69 | 57.3 Ų | 57.3 | 27% | 0.271 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.5 | 10.9 | -176.2 | -57 | -70.9 | 0 | 0 | 0 | 113.3 | G74 I100 S244 G247 R249 | G74-Y76 VanDerWaalsContact C-N 3.3Å; G74-Y76 PolarHBondContact O-N 3.48Å; Y76-I100 HydrophobicContact CE2-CG2 4.17Å; Y76-S244 PolarHBondContact OH-OG 2.94Å; Y76-G247 WeakPolarHBondContact CD1-O 3Å; Y76-R249 HydrophobicContact CD1-CB 4.26Å; Y76-R249 HydrophobicContact CD2-CB 4.34Å; Y76-R249 HydrophobicContact CE1-CB 4.35Å; Y76-R249 HydrophobicContact CE2-CB 4.42Å; Y76-R249 HydrophobicContact CE2-CG 4.36Å; Y76-R249 HydrophobicContact CG-CB 4.25Å |
| 77 | T | 93.1 | Very high | 94.6 | Very high | 26 Ų | 26 | 58 Ų | 58 | 16% | 0.16 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -99.8 | 164.1 | 176.8 | 72.8 | 0 | 0 | 0 | 0 | 110.5 | C73 G74 | C73-T77 WeakPolarHBondContact CA-OG1 3.38Å; G74-T77 PolarHBondContact N-OG1 3.12Å; G74-T77 PolarHBondContact O-N 3.26Å; G74-T77 PolarHBondContact O-OG1 3.11Å |
| 78 | P | 93.4 | Very high | 94.7 | Very high | 34 Ų | 34 | 56.1 Ų | 56.1 | 22% | 0.221 | 31% | 0.313 | C | S | . | . | P | Polyproline II helix | trans | -52.9 | 148.4 | 166 | -23.7 | 33.8 | 0 | 0 | 0 | 111.4 | V64 C65 R67 | V64-P78 HydrophobicContact CG2-CB 3.94Å; V64-P78 HydrophobicContact CG2-CG 4.37Å; C65-P78 WeakPolarHBondContact O-CB 3.45Å; R67-P78 HydrophobicContact CG-CB 4.23Å; R67-P78 WeakPolarHBondContact CG-O 2.97Å |
| 79 | R | 94.2 | Very high | 94.5 | Very high | 136 Ų | 136 | 55.1 Ų | 55.1 | 51% | 0.513 | 31% | 0.313 | S | S | . | . | P | Polyproline II helix | trans | -70.2 | 154.2 | -179 | -62.6 | 178.3 | 178.5 | -91.3 | -4 | 110.6 | V54 A66 R67 | V54-R79 HydrophobicContact CB-CB 4.22Å; V54-R79 HydrophobicContact CG1-CB 4.44Å; V54-R79 HydrophobicContact CG2-CB 3.99Å; A66-R79 CarbonylContact C-O 3.59Å; A66-R79 VanDerWaalsContact CA-O 3.32Å; A66-R79 WeakPolarHBondContact CA-O 3.33Å; R67-R79 PolarHBondContact N-O 3.39Å |
| 80 | C | 95.8 | Very high | 94.1 | Very high | 16 Ų | 16 | 58.3 Ų | 58.3 | 11% | 0.108 | 33% | 0.33 | C | S | . | . | B | Isolated β-bridge | trans | -66.3 | 154.9 | 170.4 | -52.9 | 0 | 0 | 0 | 0 | 110.9 | R67 L84 C106 | R67-C80 CarbonylContact O-C 3.54Å; R67-C80 WeakPolarHBondContact O-CA 3.04Å; C80-L84 HydrophobicContact CB-CB 3.58Å; C80-L84 HydrophobicContact CB-CD1 4.49Å; C80-C106 HydrophobicContact CB-CB 3.72Å; C80-C106 WeakPolarHBondContact CB-SG 3.13Å; C80-C106 WeakPolarHBondContact SG-CA 3.45Å; C80-C106 WeakPolarHBondContact SG-CB 3.07Å; C80-C106 CovalentContact SG-SG 2.03Å; C80-C106 PolarHBondContact SG-SG 3.09Å |
| 81 | S | 94.6 | Very high | 93.8 | Very high | 21 Ų | 21 | 63.9 Ų | 63.9 | 15% | 0.147 | 35% | 0.352 | C | S | . | . | P | Polyproline II helix | trans | -60 | 162.6 | 173.7 | 62.8 | 0 | 0 | 0 | 0 | 111.6 | E52 R67 G83 L84 | E52-S81 WeakPolarHBondContact OE2-CA 3Å; E52-S81 WeakPolarHBondContact OE2-CB 3.49Å; R67-S81 PolarHBondContact O-N 3.18Å; S81-G83 PolarHBondContact O-N 3.19Å; S81-L84 WeakPolarHBondContact O-CB 3.47Å; S81-L84 PolarHBondContact O-N 2.95Å; S81-L84 WeakPolarHBondContact OG-CD1 3.02Å |
| 82 | T | 93.2 | Very high | 93.3 | Very high | 116 Ų | 116 | 61.8 Ų | 61.8 | 71% | 0.712 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.6 | 135.8 | 178 | -65.3 | 0 | 0 | 0 | 0 | 110.7 | E52 L84 | E52-T82 VanDerWaalsContact CD-N 3.31Å; E52-T82 PolarHBondContact OE1-N 3.24Å; E52-T82 PolarHBondContact OE1-OG1 3.26Å; E52-T82 PolarHBondContact OE2-N 3.47Å; T82-L84 VanDerWaalsContact C-N 3.3Å; T82-L84 PolarHBondContact O-N 3.39Å |
| 83 | G | 92.4 | Very high | 93 | Very high | 40 Ų | 40 | 65.8 Ų | 65.8 | 41% | 0.412 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.5 | -1.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | S81 S109 | S81-G83 PolarHBondContact O-N 3.19Å; G83-S109 WeakPolarHBondContact O-CB 3.41Å; G83-S109 PolarHBondContact O-N 3.38Å |
| 84 | L | 95 | Very high | 92.8 | Very high | 31 Ų | 31 | 71.5 Ų | 71.5 | 16% | 0.162 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 143 | 175.5 | -56.4 | -176.6 | 0 | 0 | 0 | 111.9 | E69 C80 S81 T82 C106 T107 R108 | E69-L84 HydrophobicContact CB-CD1 3.97Å; E69-L84 HydrophobicContact CB-CD2 4.28Å; E69-L84 HydrophobicContact CG-CD2 4.42Å; E69-L84 VanDerWaalsContact N-CD1 3.35Å; C80-L84 HydrophobicContact CB-CB 3.58Å; C80-L84 HydrophobicContact CB-CD1 4.49Å; S81-L84 WeakPolarHBondContact O-CB 3.47Å; S81-L84 PolarHBondContact O-N 2.95Å; S81-L84 WeakPolarHBondContact OG-CD1 3.02Å; T82-L84 VanDerWaalsContact C-N 3.3Å; T82-L84 PolarHBondContact O-N 3.39Å; L84-C106 HydrophobicContact CB-CB 4.3Å; L84-C106 HydrophobicContact CD1-CB 3.96Å; L84-T107 CarbonylContact C-O 3.58Å; L84-T107 VanDerWaalsContact CA-O 3.3Å; L84-T107 WeakPolarHBondContact CA-O 3.03Å; L84-R108 HydrophobicContact CD2-CG 3.92Å |
| 85 | L | 95.3 | Very high | 92.7 | Very high | 99 Ų | 99 | 73.5 Ų | 73.5 | 52% | 0.518 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 140.8 | 173.4 | -177.4 | 64.8 | 0 | 0 | 0 | 109.9 | S87 T107 | L85-S87 PolarHBondContact O-N 3.36Å; L85-T107 PolarHBondContact N-O 2.83Å; L85-T107 PolarHBondContact O-N 3.3Å; L85-T107 PolarHBondContact O-OG1 3.07Å |
| 86 | C | 96.3 | Very high | 92.8 | Very high | 35 Ų | 35 | 76 Ų | 76 | 24% | 0.236 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 110.1 | 172.9 | -173.7 | 0 | 0 | 0 | 0 | 110.5 | C73 G74 | C73-C86 HydrophobicContact CB-CB 3.91Å; C73-C86 WeakPolarHBondContact CB-SG 3.11Å; C73-C86 WeakPolarHBondContact SG-CA 3.31Å; C73-C86 WeakPolarHBondContact SG-CB 3.08Å; C73-C86 CovalentContact SG-SG 2.03Å; C73-C86 PolarHBondContact SG-SG 3.32Å; G74-C86 PolarHBondContact N-SG 3.32Å; G74-C86 VanDerWaalsContact N-SG 3.38Å |
| 87 | S | 95.4 | Very high | 92.7 | Very high | 24 Ų | 24 | 76.8 Ų | 76.8 | 17% | 0.168 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 142.8 | -174.9 | -68.1 | 0 | 0 | 0 | 0 | 111.8 | L85 G104 R105 T107 | L85-S87 PolarHBondContact O-N 3.36Å; S87-G104 CarbonylContact O-C 3.49Å; S87-G104 VanDerWaalsContact O-CA 3.25Å; S87-G104 WeakPolarHBondContact O-CA 3.28Å; S87-R105 PolarHBondContact N-O 3.04Å; S87-R105 PolarHBondContact O-N 3.08Å; S87-T107 PolarHBondContact OG-OG1 2.79Å |
| 88 | P | 96 | Very high | 92.8 | Very high | 43 Ų | 43 | 77.3 Ų | 77.3 | 28% | 0.279 | 43% | 0.425 | S | S | . | . | trans | -71 | 170.6 | 172.6 | 30.9 | -32.2 | 0 | 0 | 0 | 110.9 | P95 L99 | P88-P95 HydrophobicContact CB-CB 3.81Å; P88-P95 HydrophobicContact CG-CB 3.79Å; P88-L99 HydrophobicContact CB-CD2 4.45Å; P88-L99 HydrophobicContact CB-CG 4.2Å; P88-L99 HydrophobicContact CG-CD1 4.42Å | ||
| 89 | S | 91.6 | Very high | 92.8 | Very high | 62 Ų | 62 | 77.2 Ų | 77.2 | 43% | 0.434 | 42% | 0.422 | S | S | . | . | trans | -67.3 | 146.2 | 172 | -167.9 | 0 | 0 | 0 | 0 | 110.4 | D91 A92 Q98 | S89-D91 PolarHBondContact O-N 2.88Å; S89-A92 WeakPolarHBondContact O-CB 3.47Å; S89-A92 PolarHBondContact O-N 3.25Å; S89-Q98 VanDerWaalsContact N-OE1 3.12Å | ||
| 90 | M | 86 | Confident | 92.8 | Very high | 169 Ų | 169 | 73.5 Ų | 73.5 | 83% | 0.833 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -30.1 | -179.9 | -62.4 | -62.7 | 162.6 | 0 | 0 | 112.3 | ||
| 91 | D | 87.1 | Confident | 92.6 | Very high | 151 Ų | 151 | 77.3 Ų | 77.3 | 81% | 0.807 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.8 | 16.2 | -176.6 | -51.9 | -50.4 | 0 | 0 | 0 | 113.1 | S89 E93 | S89-D91 PolarHBondContact O-N 2.88Å; D91-E93 PolarHBondContact O-N 2.97Å |
| 92 | A | 86.1 | Confident | 92.5 | Very high | 27 Ų | 27 | 77 Ų | 77 | 22% | 0.223 | 43% | 0.427 | C | S | . | . | trans | -75.6 | 123.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | S89 L94 P95 | S89-A92 WeakPolarHBondContact O-CB 3.47Å; S89-A92 PolarHBondContact O-N 3.25Å; A92-L94 PolarHBondContact O-N 3.14Å; A92-P95 HydrophobicContact CB-CG 4.32Å; A92-P95 WeakPolarHBondContact O-CD 3.47Å; A92-P95 WeakPolarHBondContact O-CG 3.43Å | ||
| 93 | E | 90.4 | Very high | 92.6 | Very high | 189 Ų | 189 | 76.7 Ų | 76.7 | 88% | 0.883 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -61.8 | -32.2 | 172.6 | -64.7 | -174.5 | 170.7 | 0 | 0 | 112.3 | D91 | D91-E93 PolarHBondContact O-N 2.97Š|
| 94 | L | 92.8 | Very high | 92.8 | Very high | 120 Ų | 120 | 74.8 Ų | 74.8 | 63% | 0.628 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -130.6 | 76 | -179 | -61.7 | 172.5 | 0 | 0 | 0 | 111.7 | A92 L96 Q97 Q98 | A92-L94 PolarHBondContact O-N 3.14Å; L94-L96 PolarHBondContact O-N 2.05Å; L94-Q97 HydrophobicContact CB-CB 3.83Å; L94-Q97 PolarHBondContact O-N 2.65Å; L94-Q98 PolarHBondContact O-N 3.05Å |
| 95 | P | 93.4 | Very high | 92.8 | Very high | 56 Ų | 56 | 79 Ų | 79 | 36% | 0.364 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -59.5 | -41.7 | -172.5 | -25.5 | 34.5 | 0 | 0 | 0 | 114.3 | P88 A92 Q98 L99 | P88-P95 HydrophobicContact CB-CB 3.81Å; P88-P95 HydrophobicContact CG-CB 3.79Å; A92-P95 HydrophobicContact CB-CG 4.32Å; A92-P95 WeakPolarHBondContact O-CD 3.47Å; A92-P95 WeakPolarHBondContact O-CG 3.43Å; P95-Q98 WeakPolarHBondContact O-CB 3.41Å; P95-Q98 PolarHBondContact O-N 3.44Å; P95-L99 PolarHBondContact O-N 3.28Å |
| 96 | L | 94.4 | Very high | 92.9 | Very high | 133 Ų | 133 | 74.3 Ų | 74.3 | 70% | 0.696 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -66.6 | -41.7 | 179.1 | -66.8 | 177.1 | 0 | 0 | 0 | 111.8 | L94 Q98 L99 I100 | L94-L96 PolarHBondContact O-N 2.05Å; L96-Q98 VanDerWaalsContact C-N 3.3Å; L96-Q98 PolarHBondContact O-N 3.4Å; L96-L99 PolarHBondContact O-N 3.2Å; L96-I100 VanDerWaalsContact O-CG1 3.29Å; L96-I100 WeakPolarHBondContact O-CG1 3.45Å; L96-I100 PolarHBondContact O-N 2.93Å |
| 97 | Q | 91 | Very high | 92.8 | Very high | 84 Ų | 84 | 75.3 Ų | 75.3 | 39% | 0.393 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -63.4 | -39.9 | 178.3 | -176.7 | 68.1 | -13.1 | 0 | 0 | 110.8 | L94 L99 I100 Q101 | L94-Q97 HydrophobicContact CB-CB 3.83Å; L94-Q97 PolarHBondContact O-N 2.65Å; Q97-L99 PolarHBondContact O-N 3.32Å; Q97-I100 PolarHBondContact O-N 3.35Å; Q97-Q101 VanDerWaalsContact NE2-NE2 3.19Å; Q97-Q101 WeakPolarHBondContact O-CB 3.23Å; Q97-Q101 VanDerWaalsContact O-CG 3.23Å; Q97-Q101 WeakPolarHBondContact O-CG 3.21Å; Q97-Q101 PolarHBondContact O-N 3.33Å |
| 98 | Q | 94.1 | Very high | 92.7 | Very high | 38 Ų | 38 | 82.5 Ų | 82.5 | 18% | 0.178 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -59.2 | -44.7 | 174.9 | -169.7 | -175.5 | -8.3 | 0 | 0 | 112 | S89 L94 P95 L96 Q101 G102 F103 | S89-Q98 VanDerWaalsContact N-OE1 3.12Å; L94-Q98 PolarHBondContact O-N 3.05Å; P95-Q98 WeakPolarHBondContact O-CB 3.41Å; P95-Q98 PolarHBondContact O-N 3.44Å; L96-Q98 VanDerWaalsContact C-N 3.3Å; L96-Q98 PolarHBondContact O-N 3.4Å; Q98-Q101 PolarHBondContact O-N 3.05Å; Q98-G102 PolarHBondContact O-N 2.94Å; Q98-G102 VanDerWaalsContact O-N 3.11Å; Q98-F103 HydrophobicContact CG-CB 3.4Å; Q98-F103 PolarHBondContact NE2-O 3.47Å; Q98-F103 PolarHBondContact O-N 3.44Å |
| 99 | L | 94.5 | Very high | 92 | Very high | 32 Ų | 32 | 83 Ų | 83 | 17% | 0.168 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -66.6 | -39.4 | 176.2 | -68.8 | 173.3 | 0 | 0 | 0 | 112.5 | G74 V75 P88 P95 L96 Q97 Q101 G102 | G74-L99 CarbonylContact C-O 3.5Å; G74-L99 WeakPolarHBondContact CA-O 3.29Å; V75-L99 HydrophobicContact CG2-CB 4.43Å; V75-L99 PolarHBondContact N-O 3.3Å; P88-L99 HydrophobicContact CB-CD2 4.45Å; P88-L99 HydrophobicContact CB-CG 4.2Å; P88-L99 HydrophobicContact CG-CD1 4.42Å; P95-L99 PolarHBondContact O-N 3.28Å; L96-L99 PolarHBondContact O-N 3.2Å; Q97-L99 PolarHBondContact O-N 3.32Å; L99-Q101 PolarHBondContact O-N 3.32Å; L99-G102 PolarHBondContact O-N 3.27Å |
| 100 | I | 92.4 | Very high | 91.1 | Very high | 58 Ų | 58 | 86.1 Ų | 86.1 | 30% | 0.297 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -62.6 | -34 | 174.8 | -71.7 | 168.5 | 0 | 0 | 0 | 110.9 | V75 Y76 L96 Q97 | V75-I100 HydrophobicContact CG2-CG1 4.12Å; Y76-I100 HydrophobicContact CE2-CG2 4.17Å; L96-I100 VanDerWaalsContact O-CG1 3.29Å; L96-I100 WeakPolarHBondContact O-CG1 3.45Å; L96-I100 PolarHBondContact O-N 2.93Å; Q97-I100 PolarHBondContact O-N 3.35Å |
| 101 | Q | 91.6 | Very high | 89.5 | Confident | 96 Ų | 96 | 84.9 Ų | 84.9 | 45% | 0.449 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -82.2 | -9.4 | 178 | -69.7 | 173.5 | 4.7 | 0 | 0 | 113.9 | Q97 Q98 L99 F103 | Q97-Q101 VanDerWaalsContact NE2-NE2 3.19Å; Q97-Q101 WeakPolarHBondContact O-CB 3.23Å; Q97-Q101 VanDerWaalsContact O-CG 3.23Å; Q97-Q101 WeakPolarHBondContact O-CG 3.21Å; Q97-Q101 PolarHBondContact O-N 3.33Å; Q98-Q101 PolarHBondContact O-N 3.05Å; L99-Q101 PolarHBondContact O-N 3.32Å; Q101-F103 HydrophobicContact CB-CD2 3.5Å; Q101-F103 HydrophobicContact CB-CE2 3.71Å; Q101-F103 HydrophobicContact CB-CG 4.41Å; Q101-F103 HydrophobicContact CG-CD2 4.49Å; Q101-F103 HydrophobicContact CG-CE2 4.44Å; Q101-F103 VanDerWaalsContact OE1-CE2 3.24Å |
| 102 | G | 93.9 | Very high | 87.5 | Confident | 13 Ų | 13 | 84.9 Ų | 84.9 | 13% | 0.134 | 42% | 0.423 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 83.6 | 16.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | C73 Q98 L99 | C73-G102 CarbonylContact O-C 3.54Å; C73-G102 WeakPolarHBondContact O-CA 3.41Å; Q98-G102 PolarHBondContact O-N 2.94Å; Q98-G102 VanDerWaalsContact O-N 3.11Å; L99-G102 PolarHBondContact O-N 3.27Å |
| 103 | F | 95 | Very high | 85.2 | Confident | 110 Ų | 110 | 89.9 Ų | 89.9 | 48% | 0.482 | 45% | 0.446 | S | S | . | . | trans | -94.9 | 6.6 | -179.4 | -66.2 | -50 | 0 | 0 | 0 | 113.5 | Q98 Q101 | Q98-F103 HydrophobicContact CG-CB 3.4Å; Q98-F103 PolarHBondContact NE2-O 3.47Å; Q98-F103 PolarHBondContact O-N 3.44Å; Q101-F103 HydrophobicContact CB-CD2 3.5Å; Q101-F103 HydrophobicContact CB-CE2 3.71Å; Q101-F103 HydrophobicContact CB-CG 4.41Å; Q101-F103 HydrophobicContact CG-CD2 4.49Å; Q101-F103 HydrophobicContact CG-CE2 4.44Å; Q101-F103 VanDerWaalsContact OE1-CE2 3.24Å | ||
| 104 | G | 95.7 | Very high | 82.9 | Confident | 0 Ų | 0 | 88 Ų | 88 | 0% | 0 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 174.1 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | F72 C73 S87 | F72-G104 CarbonylContact C-O 3.52Å; F72-G104 VanDerWaalsContact CA-O 3.25Å; F72-G104 WeakPolarHBondContact CA-O 3.46Å; C73-G104 PolarHBondContact N-O 3.44Å; C73-G104 CarbonylContact O-C 3.53Å; C73-G104 VanDerWaalsContact O-CA 3.25Å; C73-G104 WeakPolarHBondContact O-CA 3.28Å; C73-G104 PolarHBondContact O-N 3.32Å; C73-G104 VanDerWaalsContact SG-C 3.51Å; S87-G104 CarbonylContact O-C 3.49Å; S87-G104 VanDerWaalsContact O-CA 3.25Å; S87-G104 WeakPolarHBondContact O-CA 3.28Å |
| 105 | R | 96.7 | Very high | 80.2 | Confident | 120 Ų | 120 | 86.4 Ų | 86.4 | 45% | 0.453 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 144.9 | 174.1 | -67.3 | -172.8 | -177.7 | -86.5 | 0.8 | 111.9 | G70 E71 C73 S87 T107 | G70-R105 PolarHBondContact O-NH1 3.42Å; E71-R105 VanDerWaalsContact O-CA 3.3Å; E71-R105 WeakPolarHBondContact O-CA 3.45Å; C73-R105 PolarHBondContact SG-N 3.31Å; C73-R105 VanDerWaalsContact SG-N 3.42Å; S87-R105 PolarHBondContact N-O 3.04Å; S87-R105 PolarHBondContact O-N 3.08Å; R105-T107 PolarHBondContact O-N 3.48Å |
| 106 | C | 96.8 | Very high | 78.1 | Confident | 1 Ų | 1 | 90.4 Ų | 90.4 | 1% | 0.007 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 111.9 | 171.3 | -65.9 | 0 | 0 | 0 | 0 | 109.8 | R67 L68 G70 E71 C80 L84 | R67-C106 WeakPolarHBondContact CB-SG 3.27Å; L68-C106 VanDerWaalsContact O-CB 3.29Å; L68-C106 WeakPolarHBondContact O-CB 3.45Å; G70-C106 PolarHBondContact N-O 3.39Å; E71-C106 PolarHBondContact O-N 3.41Å; E71-C106 VanDerWaalsContact O-N 3.07Å; C80-C106 HydrophobicContact CB-CB 3.72Å; C80-C106 WeakPolarHBondContact CB-SG 3.13Å; C80-C106 WeakPolarHBondContact SG-CA 3.45Å; C80-C106 WeakPolarHBondContact SG-CB 3.07Å; C80-C106 CovalentContact SG-SG 2.03Å; C80-C106 PolarHBondContact SG-SG 3.09Å; L84-C106 HydrophobicContact CB-CB 4.3Å; L84-C106 HydrophobicContact CD1-CB 3.96Å |
| 107 | T | 94.6 | Very high | 75.2 | Confident | 56 Ų | 56 | 91.6 Ų | 91.6 | 34% | 0.344 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 153.1 | -179.8 | 55.1 | 0 | 0 | 0 | 0 | 110.2 | L84 L85 S87 R105 S109 | L84-T107 CarbonylContact C-O 3.58Å; L84-T107 VanDerWaalsContact CA-O 3.3Å; L84-T107 WeakPolarHBondContact CA-O 3.03Å; L85-T107 PolarHBondContact N-O 2.83Å; L85-T107 PolarHBondContact O-N 3.3Å; L85-T107 PolarHBondContact O-OG1 3.07Å; S87-T107 PolarHBondContact OG-OG1 2.79Å; R105-T107 PolarHBondContact O-N 3.48Å; T107-S109 PolarHBondContact O-N 2.85Å |
| 108 | R | 93.3 | Very high | 72.8 | Confident | 175 Ų | 175 | 94.7 Ų | 94.7 | 66% | 0.66 | 48% | 0.483 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -56 | 126.6 | 176.1 | -68.9 | 178.8 | -168.8 | 178.7 | -0.5 | 110.8 | E69 L84 V110 | E69-R108 WeakPolarHBondContact OE1-CG 3.35Å; E69-R108 IonicContact OE1-CZ 3.64Å; E69-R108 IonicContact OE1-NE 3.18Å; E69-R108 PolarHBondContact OE1-NE 2.04Å; E69-R108 IonicContact OE1-NH2 3.71Å; E69-R108 IonicContact OE2-CZ 3.49Å; E69-R108 IonicContact OE2-NE 3.67Å; E69-R108 PolarHBondContact OE2-NE 3.23Å; E69-R108 IonicContact OE2-NH2 2.91Å; E69-R108 PolarHBondContact OE2-NH2 2.84Å; L84-R108 HydrophobicContact CD2-CG 3.92Å; R108-V110 PolarHBondContact O-N 3.14Å |
| 109 | S | 81.3 | Confident | 69.9 | Low | 53 Ų | 53 | 100.8 Ų | 100.8 | 37% | 0.371 | 52% | 0.516 | S | S | . | . | trans | -66 | 117.1 | 169.7 | -164.2 | 0 | 0 | 0 | 0 | 106.7 | G83 T107 E111 | G83-S109 WeakPolarHBondContact O-CB 3.41Å; G83-S109 PolarHBondContact O-N 3.38Å; T107-S109 PolarHBondContact O-N 2.85Å; S109-E111 PolarHBondContact O-N 3.37Å | ||
| 110 | V | 71.9 | Confident | 67.3 | Low | 128 Ų | 128 | 104.3 Ų | 104.3 | 78% | 0.776 | 54% | 0.54 | S | S | * | . | trans | -74.8 | 90.4 | 167.5 | -174.7 | 0 | 0 | 0 | 0 | 105 | R108 Q112 | R108-V110 PolarHBondContact O-N 3.14Å; V110-Q112 VanDerWaalsContact C-N 3.26Å; V110-Q112 PolarHBondContact O-N 3.06Å | ||
| 111 | E | 52.2 | Low | 64.3 | Low | 143 Ų | 143 | 108.4 Ų | 108.4 | 67% | 0.668 | 57% | 0.568 | S | S | * | * | trans | -58.2 | 100 | 163.6 | -69.8 | -178.7 | 163.4 | 0 | 0 | 105.8 | S109 D113 | S109-E111 PolarHBondContact O-N 3.37Å; E111-D113 PolarHBondContact O-N 2.8Å | ||
| 112 | Q | 46.3 | Very low | 61.6 | Low | 151 Ų | 151 | 112 Ų | 112 | 71% | 0.706 | 59% | 0.59 | S | S | * | * | trans | -67.9 | 86.6 | 160.2 | -97 | 177.2 | -28.3 | 0 | 0 | 105.6 | V110 L114 | V110-Q112 VanDerWaalsContact C-N 3.26Å; V110-Q112 PolarHBondContact O-N 3.06Å; Q112-L114 PolarHBondContact O-N 3.32Å | ||
| 113 | D | 36.1 | Very low | 58.6 | Low | 131 Ų | 131 | 114.2 Ų | 114.2 | 70% | 0.701 | 61% | 0.614 | S | S | * | * | trans | -54.3 | 94.4 | 151.5 | -80.4 | -30.1 | 0 | 0 | 0 | 106.5 | E111 S115 | E111-D113 PolarHBondContact O-N 2.8Å; D113-S115 PolarHBondContact O-N 3.41Å | ||
| 114 | L | 43.1 | Very low | 56 | Low | 150 Ų | 150 | 117 Ų | 117 | 79% | 0.785 | 63% | 0.634 | S | S | * | * | trans | -73.5 | 56.4 | 163.3 | -72.7 | 168.7 | 0 | 0 | 0 | 108.5 | Q112 | Q112-L114 PolarHBondContact O-N 3.32Š| ||
| 115 | S | 36.5 | Very low | 53 | Low | 86 Ų | 86 | 126.3 Ų | 126.3 | 60% | 0.601 | 67% | 0.674 | S | S | * | * | trans | -88.2 | 102.2 | 152.9 | 51 | 0 | 0 | 0 | 0 | 106.3 | D113 D117 | D113-S115 PolarHBondContact O-N 3.41Å; S115-D117 PolarHBondContact O-N 3.32Å | ||
| 116 | L | 47.8 | Very low | 50.1 | Low | 141 Ų | 141 | 128.4 Ų | 128.4 | 74% | 0.738 | 69% | 0.689 | S | S | * | * | trans | -54.5 | 102.8 | 163.7 | -100.8 | 82.6 | 0 | 0 | 0 | 108.1 | ||||
| 117 | D | 34.9 | Very low | 47.1 | Very low | 157 Ų | 157 | 135.2 Ų | 135.2 | 84% | 0.84 | 72% | 0.724 | S | S | * | * | trans | -124.8 | 102.3 | 149.5 | -88.1 | -35 | 0 | 0 | 0 | 107.9 | S115 L119 | S115-D117 PolarHBondContact O-N 3.32Å; D117-L119 PolarHBondContact O-N 3.17Å | ||
| 118 | L | 39.3 | Very low | 44.2 | Very low | 149 Ų | 149 | 140.7 Ų | 140.7 | 78% | 0.78 | 74% | 0.744 | S | S | * | * | trans | -66 | 120.8 | 170 | -71.4 | 149.9 | 0 | 0 | 0 | 108.3 | ||||
| 119 | L | 33.1 | Very low | 41 | Very low | 167 Ų | 167 | 140.9 Ų | 140.9 | 87% | 0.874 | 75% | 0.75 | S | S | * | * | -171.2 | 155.5 | 117 | -114 | 92.4 | 0 | 0 | 0 | 111.4 | D117 | D117-L119 PolarHBondContact O-N 3.17Š| |||
| 120 | P | 40.3 | Very low | 38.4 | Very low | 105 Ų | 105 | 149.7 Ų | 149.7 | 68% | 0.682 | 78% | 0.775 | S | S | * | * | trans | -100.2 | 143.7 | -152 | 37.6 | -33.6 | 0 | 0 | 0 | 112.8 | ||||
| 121 | T | 29.8 | Very low | 36.4 | Very low | 144 Ų | 144 | 147.3 Ų | 147.3 | 88% | 0.883 | 76% | 0.764 | S | S | * | * | trans | -148.7 | 108 | 145.8 | 37.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 122 | N | 35.2 | Very low | 35.6 | Very low | 171 Ų | 171 | 147.2 Ų | 147.2 | 91% | 0.914 | 77% | 0.768 | S | S | * | * | trans | 26.8 | 113.2 | 138.9 | -148.9 | 17.7 | 0 | 0 | 0 | 118.5 | ||||
| 123 | G | 31.4 | Very low | 34.9 | Very low | 61 Ų | 61 | 148 Ų | 148 | 63% | 0.629 | 77% | 0.772 | S | S | * | * | trans | 151.4 | 78.8 | 162.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | K125 | G123-K125 PolarHBondContact O-N 3.35Š| ||
| 124 | N | 39.7 | Very low | 34.8 | Very low | 168 Ų | 168 | 148 Ų | 148 | 90% | 0.898 | 78% | 0.776 | S | S | * | * | trans | 18.5 | 87.9 | 156.2 | -58.5 | -10.9 | 0 | 0 | 0 | 117.3 | ||||
| 125 | K | 32 | Very low | 34.2 | Very low | 196 Ų | 196 | 146.8 Ų | 146.8 | 85% | 0.852 | 78% | 0.775 | S | S | * | * | trans | -104.8 | 111.3 | 157.4 | -71.4 | -177.5 | -178.4 | 177 | 0 | 108.5 | G123 L127 | G123-K125 PolarHBondContact O-N 3.35Å; K125-L127 PolarHBondContact O-N 3.29Å | ||
| 126 | H | 35.9 | Very low | 34.1 | Very low | 163 Ų | 163 | 147.9 Ų | 147.9 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | trans | -69.8 | 87.4 | 167.1 | -143.7 | -95 | 0 | 0 | 0 | 107.3 | F128 | H126-F128 AromaticContact ND1-CE2 3.88Å; H126-F128 AromaticContact ND1-CZ 3.92Å; H126-F128 PolarHBondContact O-N 3.24Å | ||
| 127 | L | 34.2 | Very low | 33.6 | Very low | 144 Ų | 144 | 148.4 Ų | 148.4 | 75% | 0.754 | 79% | 0.786 | S | S | * | * | trans | -77.9 | 102.8 | 179.2 | -174.7 | 69.7 | 0 | 0 | 0 | 108.4 | K125 K129 | K125-L127 PolarHBondContact O-N 3.29Å; L127-K129 PolarHBondContact O-N 2.82Å; L127-K129 VanDerWaalsContact O-N 3.12Å | ||
| 128 | F | 33.8 | Very low | 33.4 | Very low | 172 Ų | 172 | 148.1 Ų | 148.1 | 75% | 0.754 | 78% | 0.784 | S | S | * | * | trans | -67 | 108.9 | 171.6 | -78.3 | -86.9 | 0 | 0 | 0 | 109.7 | H126 W130 | H126-F128 AromaticContact ND1-CE2 3.88Å; H126-F128 AromaticContact ND1-CZ 3.92Å; H126-F128 PolarHBondContact O-N 3.24Å; F128-W130 PolarHBondContact O-N 2.84Å | ||
| 129 | K | 26.2 | Very low | 33.1 | Very low | 179 Ų | 179 | 148.9 Ų | 148.9 | 78% | 0.778 | 79% | 0.788 | S | S | * | * | trans | -74.1 | 113.6 | 173.4 | -178.6 | 175 | -178.5 | 175.7 | 0 | 108.8 | L127 S131 | L127-K129 PolarHBondContact O-N 2.82Å; L127-K129 VanDerWaalsContact O-N 3.12Å; K129-S131 VanDerWaalsContact C-N 3.3Å; K129-S131 PolarHBondContact O-N 2.99Å | ||
| 130 | W | 27.6 | Very low | 33.2 | Very low | 237 Ų | 237 | 147 Ų | 147 | 90% | 0.898 | 79% | 0.787 | S | S | * | * | trans | -71.6 | 91 | 157.8 | -83.8 | 80.4 | 0 | 0 | 0 | 107.7 | F128 N132 | F128-W130 PolarHBondContact O-N 2.84Å; W130-N132 PolarHBondContact O-N 2.84Å | ||
| 131 | S | 30.1 | Very low | 32.7 | Very low | 79 Ų | 79 | 148.6 Ų | 148.6 | 55% | 0.552 | 79% | 0.789 | S | S | * | * | trans | -80.6 | 99.2 | 168.4 | 52.7 | 0 | 0 | 0 | 0 | 109 | K129 E133 | K129-S131 VanDerWaalsContact C-N 3.3Å; K129-S131 PolarHBondContact O-N 2.99Å; S131-E133 PolarHBondContact O-N 3.15Å | ||
| 132 | N | 33.4 | Very low | 33 | Very low | 140 Ų | 140 | 147.1 Ų | 147.1 | 75% | 0.749 | 79% | 0.785 | S | S | * | * | trans | -77.1 | 97.7 | 149.6 | -68.5 | -24.9 | 0 | 0 | 0 | 106.2 | W130 V134 | W130-N132 PolarHBondContact O-N 2.84Å; N132-V134 PolarHBondContact O-N 2.98Å | ||
| 133 | E | 32.3 | Very low | 32.9 | Very low | 168 Ų | 168 | 144 Ų | 144 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | trans | -63.3 | 102.3 | 167.8 | -93.2 | -179.2 | 130.3 | 0 | 0 | 109.2 | S131 | S131-E133 PolarHBondContact O-N 3.15Š| ||
| 134 | V | 33.5 | Very low | 32.9 | Very low | 132 Ų | 132 | 149.9 Ų | 149.9 | 80% | 0.8 | 79% | 0.794 | S | S | * | * | trans | -121.3 | 97.3 | 150.1 | -174.4 | 0 | 0 | 0 | 0 | 105.8 | N132 S136 | N132-V134 PolarHBondContact O-N 2.98Å; V134-S136 VanDerWaalsContact C-N 3.31Å; V134-S136 PolarHBondContact O-N 2.65Å | ||
| 135 | T | 31.2 | Very low | 32.3 | Very low | 123 Ų | 123 | 148 Ų | 148 | 76% | 0.755 | 79% | 0.788 | S | S | * | * | trans | -62.2 | 88.1 | 178.5 | -43 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 136 | S | 34.3 | Very low | 32.1 | Very low | 110 Ų | 110 | 147.1 Ų | 147.1 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | trans | -96.8 | 115 | 163.7 | 171.9 | 0 | 0 | 0 | 0 | 108.2 | V134 N138 | V134-S136 VanDerWaalsContact C-N 3.31Å; V134-S136 PolarHBondContact O-N 2.65Å; S136-N138 PolarHBondContact O-N 3.01Å | ||
| 137 | L | 36.7 | Very low | 31.7 | Very low | 152 Ų | 152 | 144 Ų | 144 | 80% | 0.796 | 78% | 0.784 | S | S | * | * | trans | -53.9 | 123.9 | -174.5 | -70.2 | 151.8 | 0 | 0 | 0 | 113.4 | ||||
| 138 | N | 31.6 | Very low | 31.5 | Very low | 151 Ų | 151 | 144.3 Ų | 144.3 | 81% | 0.807 | 79% | 0.792 | S | S | * | * | trans | 7.6 | 117.9 | 148.2 | -67.5 | -28 | 0 | 0 | 0 | 118.9 | S136 | S136-N138 PolarHBondContact O-N 3.01Š| ||
| 139 | L | 33.5 | Very low | 31.6 | Very low | 164 Ų | 164 | 145 Ų | 145 | 86% | 0.859 | 80% | 0.797 | S | S | * | * | trans | -116.5 | 97.3 | 145.8 | -169.3 | 74.1 | 0 | 0 | 0 | 107.5 | ||||
| 140 | C | 34.1 | Very low | 31.8 | Very low | 127 Ų | 127 | 142 Ų | 142 | 86% | 0.858 | 80% | 0.798 | S | S | * | * | trans | -111.5 | 109.3 | 167.6 | -117.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 141 | L | 30.7 | Very low | 32.3 | Very low | 140 Ų | 140 | 136.5 Ų | 136.5 | 73% | 0.733 | 79% | 0.793 | S | S | * | * | trans | -66.8 | 129.8 | 163.9 | -109.4 | 74.3 | 0 | 0 | 0 | 109.5 | ||||
| 142 | S | 36.4 | Very low | 32.9 | Very low | 112 Ų | 112 | 139.9 Ų | 139.9 | 78% | 0.783 | 80% | 0.804 | S | S | * | * | trans | 40.5 | 110.3 | 140.8 | -36.2 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 143 | A | 31.3 | Very low | 33.2 | Very low | 107 Ų | 107 | 139 Ų | 139 | 88% | 0.884 | 80% | 0.804 | S | S | * | * | trans | -145.5 | 125.6 | 139 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 144 | E | 32 | Very low | 33.7 | Very low | 184 Ų | 184 | 139.8 Ų | 139.8 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | trans | -80.2 | 169.1 | -173.9 | -73.5 | 164 | 135.4 | 0 | 0 | 113.8 | ||||
| 145 | V | 26.9 | Very low | 34.1 | Very low | 127 Ų | 127 | 143.7 Ų | 143.7 | 77% | 0.77 | 81% | 0.805 | S | S | * | * | trans | 96.8 | 98.9 | 155.4 | -167.3 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 146 | H | 27.8 | Very low | 34.8 | Very low | 178 Ų | 178 | 143 Ų | 143 | 82% | 0.824 | 80% | 0.803 | S | S | * | * | -174.9 | 143.9 | 93.2 | -143.1 | 75 | 0 | 0 | 0 | 111.4 | |||||
| 147 | S | 27.6 | Very low | 35.7 | Very low | 99 Ų | 99 | 146.6 Ų | 146.6 | 69% | 0.692 | 81% | 0.812 | S | S | * | * | trans | -65.8 | 150.7 | -166.5 | -51.1 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 148 | T | 31.3 | Very low | 36.4 | Very low | 150 Ų | 150 | 145.6 Ų | 145.6 | 92% | 0.92 | 81% | 0.807 | S | S | * | * | -166.1 | 132.8 | 125.3 | 13.1 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 149 | E | 34.4 | Very low | 37.8 | Very low | 187 Ų | 187 | 143 Ų | 143 | 87% | 0.874 | 79% | 0.794 | S | S | * | * | trans | -89.4 | 145 | -167.8 | -167.3 | -177.8 | 170.5 | 0 | 0 | 112.1 | ||||
| 150 | S | 30.3 | Very low | 39 | Very low | 114 Ų | 114 | 140.1 Ų | 140.1 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | trans | -167 | 156.1 | 166.5 | -86.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 151 | P | 38.3 | Very low | 40 | Very low | 122 Ų | 122 | 142 Ų | 142 | 79% | 0.792 | 77% | 0.774 | S | S | * | * | trans | -86.5 | 156.5 | -130 | -8 | 23.5 | 0 | 0 | 0 | 117.7 | V153 | P151-V153 PolarHBondContact O-N 2.82Å; P151-V153 VanDerWaalsContact O-N 3.14Å | ||
| 152 | L | 43.3 | Very low | 41.7 | Very low | 150 Ų | 150 | 139 Ų | 139 | 79% | 0.785 | 76% | 0.758 | S | S | * | * | trans | -71.1 | 92.4 | -176.7 | -155.8 | 145.2 | 0 | 0 | 0 | 112.3 | K154 | L152-K154 HydrophobicContact CD2-CG 3.66Š| ||
| 153 | V | 39.5 | Very low | 43.2 | Very low | 121 Ų | 121 | 143.1 Ų | 143.1 | 73% | 0.733 | 76% | 0.756 | S | S | * | * | trans | -87.2 | 106.8 | 162.5 | 178.5 | 0 | 0 | 0 | 0 | 108.1 | P151 R155 | P151-V153 PolarHBondContact O-N 2.82Å; P151-V153 VanDerWaalsContact O-N 3.14Å; V153-R155 PolarHBondContact O-N 3.03Å | ||
| 154 | K | 43.4 | Very low | 45.1 | Very low | 185 Ų | 185 | 144.7 Ų | 144.7 | 80% | 0.804 | 75% | 0.746 | S | S | * | * | trans | -62.7 | 94.6 | 171.6 | -69 | -177.4 | -179.2 | 177.3 | 0 | 109.2 | L152 | L152-K154 HydrophobicContact CD2-CG 3.66Š| ||
| 155 | R | 41.4 | Very low | 47.2 | Very low | 214 Ų | 214 | 140.3 Ų | 140.3 | 81% | 0.808 | 73% | 0.725 | S | S | * | * | trans | -75.9 | 135.9 | 161.7 | -70.5 | 179.9 | 179.9 | 173.8 | 0.4 | 107.7 | V153 L157 | V153-R155 PolarHBondContact O-N 3.03Å; R155-L157 PolarHBondContact O-N 3.16Å | ||
| 156 | P | 46.9 | Very low | 49.7 | Very low | 109 Ų | 109 | 141.1 Ų | 141.1 | 71% | 0.708 | 72% | 0.718 | S | S | * | * | trans | -57.1 | 132.1 | 176.5 | -18.7 | 29.5 | 0 | 0 | 0 | 109.5 | L158 | P156-L158 VanDerWaalsContact C-N 3.27Å; P156-L158 PolarHBondContact O-N 3.4Å | ||
| 157 | L | 52.9 | Low | 52.1 | Low | 185 Ų | 185 | 135 Ų | 135 | 97% | 0.969 | 70% | 0.699 | S | S | * | * | trans | -64.1 | 89.6 | 171.8 | -69.4 | 173.2 | 0 | 0 | 0 | 108.4 | R155 | R155-L157 PolarHBondContact O-N 3.16Š| ||
| 158 | L | 51 | Low | 54.6 | Low | 131 Ų | 131 | 138.7 Ų | 138.7 | 69% | 0.686 | 70% | 0.697 | S | S | * | * | trans | -84.2 | 116.1 | 168.9 | -107.2 | 125.2 | 0 | 0 | 0 | 108.4 | P156 | P156-L158 VanDerWaalsContact C-N 3.27Å; P156-L158 PolarHBondContact O-N 3.4Å | ||
| 159 | D | 60.9 | Low | 57 | Low | 98 Ų | 98 | 135.9 Ų | 135.9 | 52% | 0.524 | 68% | 0.676 | S | S | . | * | trans | -41.4 | 122.6 | -173.7 | -146.4 | -25 | 0 | 0 | 0 | 113.7 | W161 N162 | D159-W161 PolarHBondContact O-N 3.39Å; D159-W161 VanDerWaalsContact O-N 3.11Å; D159-N162 PolarHBondContact O-N 3.05Å; D159-N162 VanDerWaalsContact O-N 3.09Å | ||
| 160 | P | 58.5 | Low | 59.3 | Low | 102 Ų | 102 | 132.8 Ų | 132.8 | 66% | 0.662 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -53 | -30.7 | 177.5 | -27.5 | 35.2 | 0 | 0 | 0 | 113.6 | N162 R163 Q164 | P160-N162 VanDerWaalsContact C-N 3.34Å; P160-N162 PolarHBondContact O-N 2.03Å; P160-R163 PolarHBondContact O-N 3.31Å; P160-Q164 PolarHBondContact O-N 3.39Å |
| 161 | W | 54.8 | Low | 61.7 | Low | 168 Ų | 168 | 131 Ų | 131 | 64% | 0.636 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -58.5 | -43.5 | 177.8 | -171.6 | -94.3 | 0 | 0 | 0 | 112.5 | D159 R163 Q164 E165 | D159-W161 PolarHBondContact O-N 3.39Å; D159-W161 VanDerWaalsContact O-N 3.11Å; W161-R163 PolarHBondContact O-N 3.29Å; W161-Q164 PolarHBondContact O-N 2.94Å; W161-E165 PolarHBondContact NE1-OE2 2.75Å; W161-E165 WeakPolarHBondContact O-CB 3.46Å; W161-E165 PolarHBondContact O-N 2.89Å |
| 162 | N | 67.4 | Low | 63.8 | Low | 76 Ų | 76 | 130 Ų | 130 | 41% | 0.406 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -67.7 | -24.8 | -178.8 | -69.6 | -20.5 | 0 | 0 | 0 | 112.9 | D159 P160 K166 | D159-N162 PolarHBondContact O-N 3.05Å; D159-N162 VanDerWaalsContact O-N 3.09Å; P160-N162 VanDerWaalsContact C-N 3.34Å; P160-N162 PolarHBondContact O-N 2.03Å; N162-K166 WeakPolarHBondContact O-CB 3.31Å; N162-K166 VanDerWaalsContact O-CG 3.27Å; N162-K166 WeakPolarHBondContact O-CG 3.45Å; N162-K166 PolarHBondContact O-N 3.49Å; N162-K166 VanDerWaalsContact O-N 3.13Å |
| 163 | R | 66.4 | Low | 65.5 | Low | 198 Ų | 198 | 127 Ų | 127 | 75% | 0.747 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -77.8 | -42 | 177.5 | -158.5 | -170.4 | -62.6 | -143.2 | 3.9 | 110.9 | P160 W161 A167 | P160-R163 PolarHBondContact O-N 3.31Å; W161-R163 PolarHBondContact O-N 3.29Å; R163-A167 WeakPolarHBondContact O-CB 3.36Å; R163-A167 PolarHBondContact O-N 2.81Å |
| 164 | Q | 73.2 | Confident | 67.5 | Low | 141 Ų | 141 | 125.7 Ų | 125.7 | 66% | 0.659 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -68 | -39.3 | 177 | -166.6 | 167.8 | -0.1 | 0 | 0 | 111.2 | P160 W161 A167 R168 | P160-Q164 PolarHBondContact O-N 3.39Å; W161-Q164 PolarHBondContact O-N 2.94Å; Q164-A167 PolarHBondContact O-N 3.29Å; Q164-R168 WeakPolarHBondContact O-CB 3Å; Q164-R168 PolarHBondContact O-N 3.11Å |
| 165 | E | 75.4 | Confident | 69.2 | Low | 91 Ų | 91 | 121.7 Ų | 121.7 | 43% | 0.425 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -67.9 | -41.2 | 177 | -166.8 | 148.5 | -154.4 | 0 | 0 | 112.2 | W161 R168 L169 | W161-E165 PolarHBondContact NE1-OE2 2.75Å; W161-E165 WeakPolarHBondContact O-CB 3.46Å; W161-E165 PolarHBondContact O-N 2.89Å; E165-R168 PolarHBondContact O-N 3.35Å; E165-L169 HydrophobicContact CG-CD1 4.45Å; E165-L169 WeakPolarHBondContact O-CB 3.2Å; E165-L169 WeakPolarHBondContact O-CG 3.18Å; E165-L169 PolarHBondContact O-N 3.43Å |
| 166 | K | 79.8 | Confident | 70.9 | Confident | 145 Ų | 145 | 119.8 Ų | 119.8 | 63% | 0.63 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -62.9 | -43.3 | 171.1 | -79.7 | -179.3 | -179.7 | -176.7 | 0 | 112.5 | N162 R168 L169 Q170 | N162-K166 WeakPolarHBondContact O-CB 3.31Å; N162-K166 VanDerWaalsContact O-CG 3.27Å; N162-K166 WeakPolarHBondContact O-CG 3.45Å; N162-K166 PolarHBondContact O-N 3.49Å; N162-K166 VanDerWaalsContact O-N 3.13Å; K166-R168 VanDerWaalsContact C-N 3.32Å; K166-R168 PolarHBondContact O-N 2.74Å; K166-L169 PolarHBondContact O-N 3.07Å; K166-Q170 VanDerWaalsContact O-CB 3.29Å; K166-Q170 WeakPolarHBondContact O-CB 3.02Å; K166-Q170 PolarHBondContact O-N 3.34Å |
| 167 | A | 76.6 | Confident | 72 | Confident | 50 Ų | 50 | 118.4 Ų | 118.4 | 41% | 0.413 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -61.3 | -41.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | R163 Q164 Q170 T171 | R163-A167 WeakPolarHBondContact O-CB 3.36Å; R163-A167 PolarHBondContact O-N 2.81Å; Q164-A167 PolarHBondContact O-N 3.29Å; A167-Q170 PolarHBondContact O-N 3.32Å; A167-T171 PolarHBondContact O-N 3.02Å; A167-T171 PolarHBondContact O-OG1 3.31Å |
| 168 | R | 80.5 | Confident | 73 | Confident | 176 Ų | 176 | 118.1 Ų | 118.1 | 66% | 0.664 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -65.8 | -42.2 | 178.5 | -153 | -178.8 | 89.1 | 104 | -0 | 112.4 | Q164 E165 K166 Q170 Q172 | Q164-R168 WeakPolarHBondContact O-CB 3Å; Q164-R168 PolarHBondContact O-N 3.11Å; E165-R168 PolarHBondContact O-N 3.35Å; K166-R168 VanDerWaalsContact C-N 3.32Å; K166-R168 PolarHBondContact O-N 2.74Å; R168-Q170 VanDerWaalsContact C-N 3.31Å; R168-Q172 WeakPolarHBondContact O-CB 3.33Å; R168-Q172 PolarHBondContact O-N 3.38Å |
| 169 | L | 82.2 | Confident | 73.6 | Confident | 90 Ų | 90 | 117.9 Ų | 117.9 | 47% | 0.471 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -64.1 | -37.6 | 174.1 | -76.6 | 164.9 | 0 | 0 | 0 | 111.6 | E165 K166 Q172 N173 | E165-L169 HydrophobicContact CG-CD1 4.45Å; E165-L169 WeakPolarHBondContact O-CB 3.2Å; E165-L169 WeakPolarHBondContact O-CG 3.18Å; E165-L169 PolarHBondContact O-N 3.43Å; K166-L169 PolarHBondContact O-N 3.07Å; L169-Q172 PolarHBondContact O-N 3.35Å; L169-N173 WeakPolarHBondContact O-CB 3.42Å; L169-N173 PolarHBondContact O-N 3.36Å; L169-N173 PolarHBondContact O-ND2 3.3Å |
| 170 | Q | 82.2 | Confident | 73.6 | Confident | 123 Ų | 123 | 122.6 Ų | 122.6 | 58% | 0.575 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -67.9 | -46.4 | 177.9 | -159.5 | 166.3 | -1.8 | 0 | 0 | 111.3 | K166 A167 R168 Q172 N173 E174 | K166-Q170 VanDerWaalsContact O-CB 3.29Å; K166-Q170 WeakPolarHBondContact O-CB 3.02Å; K166-Q170 PolarHBondContact O-N 3.34Å; A167-Q170 PolarHBondContact O-N 3.32Å; R168-Q170 VanDerWaalsContact C-N 3.31Å; Q170-Q172 VanDerWaalsContact C-N 3.32Å; Q170-Q172 PolarHBondContact O-N 3.08Å; Q170-N173 PolarHBondContact O-N 2.98Å; Q170-E174 WeakPolarHBondContact O-CG 3.45Å; Q170-E174 PolarHBondContact O-N 2.9Å |
| 171 | T | 81.2 | Confident | 73.5 | Confident | 75 Ų | 75 | 122.4 Ų | 122.4 | 46% | 0.46 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -60.8 | -39.6 | 172.8 | -54.4 | 0 | 0 | 0 | 0 | 112 | A167 E174 L175 | A167-T171 PolarHBondContact O-N 3.02Å; A167-T171 PolarHBondContact O-OG1 3.31Å; T171-E174 PolarHBondContact O-N 2.95Å; T171-L175 HydrophobicContact CG2-CD1 4.29Å; T171-L175 WeakPolarHBondContact O-CG 3.34Å; T171-L175 PolarHBondContact O-N 3.3Å |
| 172 | Q | 81.9 | Confident | 73.6 | Confident | 102 Ų | 102 | 118.7 Ų | 118.7 | 48% | 0.477 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -66.1 | -39.7 | 176.3 | -171.8 | 178.2 | 94.2 | 0 | 0 | 111.9 | R168 L169 Q170 L175 R176 | R168-Q172 WeakPolarHBondContact O-CB 3.33Å; R168-Q172 PolarHBondContact O-N 3.38Å; L169-Q172 PolarHBondContact O-N 3.35Å; Q170-Q172 VanDerWaalsContact C-N 3.32Å; Q170-Q172 PolarHBondContact O-N 3.08Å; Q172-L175 PolarHBondContact O-N 2.86Å; Q172-R176 VanDerWaalsContact O-CB 3.3Å; Q172-R176 WeakPolarHBondContact O-CB 3.49Å; Q172-R176 PolarHBondContact O-N 2.84Å |
| 173 | N | 80.1 | Confident | 73 | Confident | 86 Ų | 86 | 122.2 Ų | 122.2 | 46% | 0.46 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -68.4 | -34.9 | 175.1 | -73.8 | -19.6 | 0 | 0 | 0 | 112.1 | L169 Q170 R176 T177 | L169-N173 WeakPolarHBondContact O-CB 3.42Å; L169-N173 PolarHBondContact O-N 3.36Å; L169-N173 PolarHBondContact O-ND2 3.3Å; Q170-N173 PolarHBondContact O-N 2.98Å; N173-R176 PolarHBondContact O-N 2.91Å; N173-T177 WeakPolarHBondContact O-CB 3.2Å; N173-T177 VanDerWaalsContact O-CG2 3.3Å; N173-T177 WeakPolarHBondContact O-CG2 3.32Å; N173-T177 PolarHBondContact O-N 3.48Å; N173-T177 PolarHBondContact O-OG1 3.13Å |
| 174 | E | 81.6 | Confident | 72.2 | Confident | 94 Ų | 94 | 120.7 Ų | 120.7 | 44% | 0.439 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -64.7 | -44.2 | 172 | -76.1 | 174.5 | -173.3 | 0 | 0 | 111.9 | Q170 T171 R176 T177 R178 | Q170-E174 WeakPolarHBondContact O-CG 3.45Å; Q170-E174 PolarHBondContact O-N 2.9Å; T171-E174 PolarHBondContact O-N 2.95Å; E174-R176 VanDerWaalsContact C-N 3.34Å; E174-R176 PolarHBondContact O-N 2.81Å; E174-T177 VanDerWaalsContact CA-OG1 3.28Å; E174-T177 WeakPolarHBondContact CA-OG1 3.35Å; E174-T177 PolarHBondContact O-N 2.85Å; E174-T177 PolarHBondContact O-OG1 3.41Å; E174-R178 WeakPolarHBondContact O-CB 3.37Å; E174-R178 VanDerWaalsContact O-CG 3.29Å; E174-R178 WeakPolarHBondContact O-CG 3.31Å; E174-R178 PolarHBondContact O-N 3.33Å |
| 175 | L | 78.4 | Confident | 71 | Confident | 101 Ų | 101 | 120.2 Ų | 120.2 | 53% | 0.529 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -63.2 | -42 | 174.3 | -71.2 | 166.1 | 0 | 0 | 0 | 111.3 | T171 Q172 R178 M179 | T171-L175 HydrophobicContact CG2-CD1 4.29Å; T171-L175 WeakPolarHBondContact O-CG 3.34Å; T171-L175 PolarHBondContact O-N 3.3Å; Q172-L175 PolarHBondContact O-N 2.86Å; L175-R178 PolarHBondContact O-N 3.12Å; L175-M179 WeakPolarHBondContact O-CG 3.31Å; L175-M179 PolarHBondContact O-N 3.5Å |
| 176 | R | 77.1 | Confident | 69.8 | Low | 174 Ų | 174 | 124.2 Ų | 124.2 | 66% | 0.657 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -68.4 | -36.6 | 178.6 | -169.5 | 176.7 | 179.8 | 173.7 | 0.6 | 112.7 | Q172 N173 E174 R180 | Q172-R176 VanDerWaalsContact O-CB 3.3Å; Q172-R176 WeakPolarHBondContact O-CB 3.49Å; Q172-R176 PolarHBondContact O-N 2.84Å; N173-R176 PolarHBondContact O-N 2.91Å; E174-R176 VanDerWaalsContact C-N 3.34Å; E174-R176 PolarHBondContact O-N 2.81Å; R176-R180 WeakPolarHBondContact O-CB 3.44Å; R176-R180 PolarHBondContact O-N 3.36Å |
| 177 | T | 70.2 | Confident | 68.3 | Low | 81 Ų | 81 | 128.2 Ų | 128.2 | 50% | 0.497 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -71.4 | -39.7 | 174.8 | 45.8 | 0 | 0 | 0 | 0 | 111.4 | N173 E174 M179 R180 T181 | N173-T177 WeakPolarHBondContact O-CB 3.2Å; N173-T177 VanDerWaalsContact O-CG2 3.3Å; N173-T177 WeakPolarHBondContact O-CG2 3.32Å; N173-T177 PolarHBondContact O-N 3.48Å; N173-T177 PolarHBondContact O-OG1 3.13Å; E174-T177 VanDerWaalsContact CA-OG1 3.28Å; E174-T177 WeakPolarHBondContact CA-OG1 3.35Å; E174-T177 PolarHBondContact O-N 2.85Å; E174-T177 PolarHBondContact O-OG1 3.41Å; T177-M179 VanDerWaalsContact C-N 3.34Å; T177-M179 PolarHBondContact O-N 3.37Å; T177-R180 CarbonylContact O-C 3.55Å; T177-R180 PolarHBondContact O-N 3.44Å; T177-R180 VanDerWaalsContact O-N 3.09Å; T177-T181 WeakPolarHBondContact O-CG2 3.48Å; T177-T181 PolarHBondContact O-N 3.18Å; T177-T181 PolarHBondContact O-OG1 3.3Å; T177-T181 VanDerWaalsContact O-OG1 3.14Å |
| 178 | R | 74.1 | Confident | 67.1 | Low | 179 Ų | 179 | 131.3 Ų | 131.3 | 68% | 0.675 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -61.1 | -39.6 | 171.7 | -73.2 | -179 | -171.5 | -160.7 | 4.5 | 112.9 | E174 L175 R180 T181 S182 | E174-R178 WeakPolarHBondContact O-CB 3.37Å; E174-R178 VanDerWaalsContact O-CG 3.29Å; E174-R178 WeakPolarHBondContact O-CG 3.31Å; E174-R178 PolarHBondContact O-N 3.33Å; L175-R178 PolarHBondContact O-N 3.12Å; R178-R180 VanDerWaalsContact C-N 3.33Å; R178-T181 VanDerWaalsContact CA-OG1 3.3Å; R178-T181 WeakPolarHBondContact CA-OG1 3.15Å; R178-T181 PolarHBondContact O-OG1 3.04Å; R178-S182 PolarHBondContact O-N 3.1Å |
| 179 | M | 63.1 | Low | 65.8 | Low | 126 Ų | 126 | 131.3 Ų | 131.3 | 62% | 0.621 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -68 | -33.6 | 172.9 | -72.6 | -169.8 | -71.1 | 0 | 0 | 112.2 | L175 T177 S182 L183 | L175-M179 WeakPolarHBondContact O-CG 3.31Å; L175-M179 PolarHBondContact O-N 3.5Å; T177-M179 VanDerWaalsContact C-N 3.34Å; T177-M179 PolarHBondContact O-N 3.37Å; M179-S182 WeakPolarHBondContact O-CB 3.31Å; M179-S182 PolarHBondContact O-N 3.27Å; M179-L183 PolarHBondContact O-N 3.05Å |
| 180 | R | 60.8 | Low | 64.6 | Low | 196 Ų | 196 | 137.8 Ų | 137.8 | 74% | 0.74 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -75.5 | -34.5 | 177.2 | -167.2 | 171.9 | 180 | 171 | -0.4 | 112.8 | R176 T177 R178 S182 L183 H184 | R176-R180 WeakPolarHBondContact O-CB 3.44Å; R176-R180 PolarHBondContact O-N 3.36Å; T177-R180 CarbonylContact O-C 3.55Å; T177-R180 PolarHBondContact O-N 3.44Å; T177-R180 VanDerWaalsContact O-N 3.09Å; R178-R180 VanDerWaalsContact C-N 3.33Å; R180-S182 VanDerWaalsContact C-N 3.26Å; R180-L183 PolarHBondContact O-N 2.87Å; R180-L183 VanDerWaalsContact O-N 3.17Å; R180-H184 PolarHBondContact O-N 2.77Å |
| 181 | T | 57.6 | Low | 63.6 | Low | 98 Ų | 98 | 138.8 Ų | 138.8 | 60% | 0.601 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -68.2 | -27.5 | 169.5 | 50.6 | 0 | 0 | 0 | 0 | 111.4 | T177 R178 L183 H184 | T177-T181 WeakPolarHBondContact O-CG2 3.48Å; T177-T181 PolarHBondContact O-N 3.18Å; T177-T181 PolarHBondContact O-OG1 3.3Å; T177-T181 VanDerWaalsContact O-OG1 3.14Å; R178-T181 VanDerWaalsContact CA-OG1 3.3Å; R178-T181 WeakPolarHBondContact CA-OG1 3.15Å; R178-T181 PolarHBondContact O-OG1 3.04Å; T181-L183 VanDerWaalsContact C-N 3.27Å; T181-L183 PolarHBondContact O-N 3.03Å; T181-H184 CarbonylContact O-C 3.34Å; T181-H184 PolarHBondContact O-N 2.82Å; T181-H184 VanDerWaalsContact O-O 3.07Å |
| 182 | S | 55.6 | Low | 63 | Low | 91 Ų | 91 | 140.6 Ų | 140.6 | 64% | 0.636 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.4 | -19.2 | 170.5 | -171.1 | 0 | 0 | 0 | 0 | 113.9 | R178 M179 R180 | R178-S182 PolarHBondContact O-N 3.1Å; M179-S182 WeakPolarHBondContact O-CB 3.31Å; M179-S182 PolarHBondContact O-N 3.27Å; R180-S182 VanDerWaalsContact C-N 3.26Å |
| 183 | L | 55.5 | Low | 62.4 | Low | 149 Ų | 149 | 139.4 Ų | 139.4 | 78% | 0.78 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.3 | -13.3 | 175.2 | -69.3 | 173.6 | 0 | 0 | 0 | 113 | M179 R180 T181 D185 | M179-L183 PolarHBondContact O-N 3.05Å; R180-L183 PolarHBondContact O-N 2.87Å; R180-L183 VanDerWaalsContact O-N 3.17Å; T181-L183 VanDerWaalsContact C-N 3.27Å; T181-L183 PolarHBondContact O-N 3.03Å; L183-D185 VanDerWaalsContact C-N 3.32Å |
| 184 | H | 48.5 | Very low | 62.4 | Low | 166 Ų | 166 | 137.1 Ų | 137.1 | 77% | 0.769 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -100.6 | 67.2 | 159.2 | -106.6 | 39.8 | 0 | 0 | 0 | 107.4 | R180 T181 E186 | R180-H184 PolarHBondContact O-N 2.77Å; T181-H184 CarbonylContact O-C 3.34Å; T181-H184 PolarHBondContact O-N 2.82Å; T181-H184 VanDerWaalsContact O-O 3.07Å; H184-E186 PolarHBondContact O-N 3.07Å |
| 185 | D | 48.1 | Very low | 62.7 | Low | 131 Ų | 131 | 136.2 Ų | 136.2 | 70% | 0.701 | 67% | 0.669 | S | S | * | * | trans | -60.2 | 87.3 | 157.8 | -170.2 | 28.2 | 0 | 0 | 0 | 106.6 | L183 R187 | L183-D185 VanDerWaalsContact C-N 3.32Å; D185-R187 VanDerWaalsContact C-N 3.32Å; D185-R187 PolarHBondContact O-N 3.29Å | ||
| 186 | E | 50.6 | Low | 63.3 | Low | 175 Ų | 175 | 131.4 Ų | 131.4 | 82% | 0.818 | 64% | 0.644 | S | S | * | * | trans | -58 | 105.9 | 163.8 | -143.8 | 175.6 | 123.3 | 0 | 0 | 104.5 | H184 V188 | H184-E186 PolarHBondContact O-N 3.07Å; E186-V188 PolarHBondContact O-N 3.26Å | ||
| 187 | R | 48.7 | Very low | 63.8 | Low | 230 Ų | 230 | 126.2 Ų | 126.2 | 87% | 0.868 | 63% | 0.627 | S | S | * | * | trans | -42.6 | 86.4 | -177.4 | -65.3 | 174.9 | -175.4 | 174.3 | 0.3 | 110.9 | D185 Q189 | D185-R187 VanDerWaalsContact C-N 3.32Å; D185-R187 PolarHBondContact O-N 3.29Å; R187-Q189 VanDerWaalsContact C-N 3.26Å; R187-Q189 PolarHBondContact O-N 3.34Å | ||
| 188 | V | 50.8 | Low | 64.8 | Low | 114 Ų | 114 | 127.6 Ų | 127.6 | 69% | 0.691 | 63% | 0.628 | S | S | * | * | trans | -68.2 | 102.5 | 154.9 | -180 | 0 | 0 | 0 | 0 | 102 | E186 R190 | E186-V188 PolarHBondContact O-N 3.26Å; V188-R190 PolarHBondContact O-N 2.98Å | ||
| 189 | Q | 53.7 | Low | 65.5 | Low | 177 Ų | 177 | 122.6 Ų | 122.6 | 83% | 0.827 | 61% | 0.612 | S | S | * | * | trans | -56.3 | 95.4 | 167.3 | -68.3 | -170.6 | 23.6 | 0 | 0 | 105.4 | R187 D191 | R187-Q189 VanDerWaalsContact C-N 3.26Å; R187-Q189 PolarHBondContact O-N 3.34Å; Q189-D191 PolarHBondContact O-N 3.47Å | ||
| 190 | R | 56.6 | Low | 66.8 | Low | 226 Ų | 226 | 118.4 Ų | 118.4 | 85% | 0.853 | 59% | 0.592 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 117.2 | 169.4 | -73.1 | -158.3 | -178 | 173.3 | 2.9 | 104.5 | V188 | V188-R190 PolarHBondContact O-N 2.98Š|
| 191 | D | 61.8 | Low | 68.2 | Low | 143 Ų | 143 | 112.6 Ų | 112.6 | 77% | 0.765 | 58% | 0.576 | S | S | * | * | P | Polyproline II helix | trans | -46.7 | 143.5 | 168 | -68.6 | -53.5 | 0 | 0 | 0 | 108.7 | Q189 | Q189-D191 PolarHBondContact O-N 3.47Š|
| 192 | P | 68.9 | Low | 69.7 | Low | 114 Ų | 114 | 113.1 Ų | 113.1 | 74% | 0.74 | 57% | 0.573 | S | S | * | * | P | Polyproline II helix | trans | -48.8 | 132.8 | 178.6 | -24.7 | 31.8 | 0 | 0 | 0 | 109.9 | S194 | P192-S194 PolarHBondContact O-N 3.01Š|
| 193 | P | 68.6 | Low | 71.3 | Confident | 77 Ų | 77 | 109.5 Ų | 109.5 | 50% | 0.5 | 55% | 0.547 | S | S | . | . | P | Polyproline II helix | trans | -55.9 | 130.2 | -179.4 | 22.8 | -32 | 0 | 0 | 0 | 109.1 | Q197 | P193-Q197 HydrophobicContact CB-CB 4.37Å; P193-Q197 HydrophobicContact CB-CG 4.37Å |
| 194 | S | 81 | Confident | 72.9 | Confident | 37 Ų | 37 | 106.6 Ų | 106.6 | 26% | 0.259 | 53% | 0.532 | S | S | . | . | P | Polyproline II helix | trans | -56.4 | 159.5 | 171.8 | 61.4 | 0 | 0 | 0 | 0 | 111.4 | P192 C196 Q197 Q198 G234 | P192-S194 PolarHBondContact O-N 3.01Å; S194-C196 VanDerWaalsContact C-N 3.29Å; S194-C196 PolarHBondContact O-N 3.03Å; S194-Q197 PolarHBondContact O-N 3.44Å; S194-Q197 VanDerWaalsContact O-N 3.13Å; S194-Q197 VanDerWaalsContact OG-CB 3.26Å; S194-Q197 WeakPolarHBondContact OG-CB 3.32Å; S194-Q197 PolarHBondContact OG-N 3.05Å; S194-Q198 PolarHBondContact O-N 3.45Å; S194-G234 WeakPolarHBondContact CB-O 3.05Å; S194-G234 VanDerWaalsContact OG-C 3.29Å; S194-G234 WeakPolarHBondContact OG-CA 3.35Å; S194-G234 PolarHBondContact OG-O 3.11Å |
| 195 | S | 87.3 | Confident | 74.7 | Confident | 76 Ų | 76 | 105.2 Ų | 105.2 | 53% | 0.531 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -56 | -40.3 | -179.8 | 176.2 | 0 | 0 | 0 | 0 | 113.2 | E199 Y236 | S195-E199 PolarHBondContact O-N 2.95Å; S195-Y236 PolarHBondContact OG-OH 3.13Å |
| 196 | C | 90.1 | Very high | 76.5 | Confident | 0 Ų | 0 | 102.9 Ų | 102.9 | 0% | 0 | 51% | 0.51 | C | S | . | . | H | α-helix | trans | -66.9 | -43.8 | 178 | -168.5 | 0 | 0 | 0 | 0 | 111.3 | S194 Q198 E199 L200 C230 G234 Y236 | S194-C196 VanDerWaalsContact C-N 3.29Å; S194-C196 PolarHBondContact O-N 3.03Å; C196-Q198 VanDerWaalsContact C-N 3.33Å; C196-Q198 PolarHBondContact O-N 3.4Å; C196-E199 PolarHBondContact O-N 3.39Å; C196-L200 WeakPolarHBondContact O-CB 3.48Å; C196-L200 PolarHBondContact O-N 2.97Å; C196-C230 HydrophobicContact CB-CB 4Å; C196-C230 WeakPolarHBondContact CB-SG 3.22Å; C196-C230 PolarHBondContact O-SG 3.39Å; C196-C230 VanDerWaalsContact O-SG 3.33Å; C196-C230 WeakPolarHBondContact SG-CA 3.32Å; C196-C230 WeakPolarHBondContact SG-CB 3.39Å; C196-C230 CovalentContact SG-SG 2.03Å; C196-C230 PolarHBondContact SG-SG 3.23Å; C196-G234 WeakPolarHBondContact CB-O 3.47Å; C196-Y236 HydrophobicContact CB-CD1 3.84Å; C196-Y236 HydrophobicContact CB-CD2 3.93Å; C196-Y236 HydrophobicContact CB-CE1 3.69Å; C196-Y236 HydrophobicContact CB-CE2 3.8Å; C196-Y236 HydrophobicContact CB-CG 3.95Å; C196-Y236 WeakPolarHBondContact SG-CD1 3.31Å; C196-Y236 VanDerWaalsContact SG-CE1 3.53Å |
| 197 | Q | 89.1 | Confident | 78 | Confident | 65 Ų | 65 | 96.1 Ų | 96.1 | 30% | 0.304 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.7 | -40.2 | 179.4 | -170.9 | 62.7 | 42.8 | 0 | 0 | 111.3 | P193 S194 L200 D201 | P193-Q197 HydrophobicContact CB-CB 4.37Å; P193-Q197 HydrophobicContact CB-CG 4.37Å; S194-Q197 PolarHBondContact O-N 3.44Å; S194-Q197 VanDerWaalsContact O-N 3.13Å; S194-Q197 VanDerWaalsContact OG-CB 3.26Å; S194-Q197 WeakPolarHBondContact OG-CB 3.32Å; S194-Q197 PolarHBondContact OG-N 3.05Å; Q197-L200 WeakPolarHBondContact O-CB 3.22Å; Q197-L200 PolarHBondContact O-N 3.39Å; Q197-D201 PolarHBondContact NE2-OD1 3.14Å; Q197-D201 VanDerWaalsContact NE2-OD1 3.15Å; Q197-D201 WeakPolarHBondContact O-CB 3.45Å; Q197-D201 PolarHBondContact O-N 3.35Å |
| 198 | Q | 90.1 | Very high | 79.6 | Confident | 110 Ų | 110 | 88.2 Ų | 88.2 | 51% | 0.514 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -64.4 | -41.4 | 176.4 | -170.1 | 175.4 | 10 | 0 | 0 | 111.7 | S194 C196 D201 M202 | S194-Q198 PolarHBondContact O-N 3.45Å; C196-Q198 VanDerWaalsContact C-N 3.33Å; C196-Q198 PolarHBondContact O-N 3.4Å; Q198-D201 PolarHBondContact O-N 2.88Å; Q198-M202 WeakPolarHBondContact O-CG 3.38Å; Q198-M202 PolarHBondContact O-N 2.95Å |
| 199 | E | 90.2 | Very high | 80.9 | Confident | 74 Ų | 74 | 89.2 Ų | 89.2 | 35% | 0.346 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -63.2 | -42 | 174 | -169.5 | -177.8 | -158.5 | 0 | 0 | 112 | S195 C196 D201 M202 V203 P228 Y236 | S195-E199 PolarHBondContact O-N 2.95Å; C196-E199 PolarHBondContact O-N 3.39Å; E199-D201 PolarHBondContact O-N 3.15Å; E199-M202 HydrophobicContact CB-CE 4.28Å; E199-M202 HydrophobicContact CG-CE 4.36Å; E199-M202 PolarHBondContact O-N 2.82Å; E199-V203 WeakPolarHBondContact O-CG2 3.31Å; E199-V203 PolarHBondContact O-N 3.28Å; E199-V203 VanDerWaalsContact O-N 3.17Å; E199-P228 HydrophobicContact CB-CG 4.01Å; E199-P228 HydrophobicContact CG-CG 3.94Å; E199-Y236 WeakPolarHBondContact OE2-CE1 3.49Å; E199-Y236 PolarHBondContact OE2-OH 3.26Å |
| 200 | L | 90.3 | Very high | 81.5 | Confident | 38 Ų | 38 | 83.2 Ų | 83.2 | 20% | 0.199 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -60.7 | -45.7 | 175.2 | -177.4 | 59.6 | 0 | 0 | 0 | 111.8 | C196 Q197 M202 V203 L204 F227 P228 | C196-L200 WeakPolarHBondContact O-CB 3.48Å; C196-L200 PolarHBondContact O-N 2.97Å; Q197-L200 WeakPolarHBondContact O-CB 3.22Å; Q197-L200 PolarHBondContact O-N 3.39Å; L200-M202 VanDerWaalsContact C-N 3.32Å; L200-M202 PolarHBondContact O-N 3.17Å; L200-V203 PolarHBondContact O-N 3.5Å; L200-L204 HydrophobicContact CG-CD1 4.21Å; L200-L204 WeakPolarHBondContact O-CG 3.33Å; L200-L204 PolarHBondContact O-N 3.46Å; L200-F227 HydrophobicContact CD1-CD1 4.41Å; L200-P228 HydrophobicContact CB-CG 3.99Å; L200-P228 HydrophobicContact CD1-CG 4.48Å |
| 201 | D | 89.4 | Confident | 81.9 | Confident | 73 Ų | 73 | 77.2 Ų | 77.2 | 39% | 0.39 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -64.1 | -37.4 | -179.3 | -68.2 | -18.9 | 0 | 0 | 0 | 111.4 | Q197 Q198 E199 L204 E205 | Q197-D201 PolarHBondContact NE2-OD1 3.14Å; Q197-D201 VanDerWaalsContact NE2-OD1 3.15Å; Q197-D201 WeakPolarHBondContact O-CB 3.45Å; Q197-D201 PolarHBondContact O-N 3.35Å; Q198-D201 PolarHBondContact O-N 2.88Å; E199-D201 PolarHBondContact O-N 3.15Å; D201-L204 PolarHBondContact O-N 2.85Å; D201-E205 PolarHBondContact O-N 3.41Å |
| 202 | M | 88.9 | Confident | 81.7 | Confident | 110 Ų | 110 | 74.8 Ų | 74.8 | 54% | 0.542 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -61.9 | -43.1 | 173.5 | -72.2 | -171.8 | -63.8 | 0 | 0 | 112.4 | Q198 E199 L200 L204 E205 E206 | Q198-M202 WeakPolarHBondContact O-CG 3.38Å; Q198-M202 PolarHBondContact O-N 2.95Å; E199-M202 HydrophobicContact CB-CE 4.28Å; E199-M202 HydrophobicContact CG-CE 4.36Å; E199-M202 PolarHBondContact O-N 2.82Å; L200-M202 VanDerWaalsContact C-N 3.32Å; L200-M202 PolarHBondContact O-N 3.17Å; M202-L204 VanDerWaalsContact C-N 3.33Å; M202-E205 PolarHBondContact O-N 2.94Å; M202-E206 PolarHBondContact O-N 3.43Å |
| 203 | V | 89.2 | Confident | 81.2 | Confident | 15 Ų | 15 | 73.9 Ų | 73.9 | 9% | 0.091 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -66.2 | -38.7 | 178 | 176.1 | 0 | 0 | 0 | 0 | 110.7 | E199 L200 E206 I207 L225 K226 F227 | E199-V203 WeakPolarHBondContact O-CG2 3.31Å; E199-V203 PolarHBondContact O-N 3.28Å; E199-V203 VanDerWaalsContact O-N 3.17Å; L200-V203 PolarHBondContact O-N 3.5Å; V203-E206 PolarHBondContact O-N 3.35Å; V203-I207 HydrophobicContact CG1-CD1 4.4Å; V203-I207 WeakPolarHBondContact O-CD1 3.39Å; V203-I207 VanDerWaalsContact O-CG1 3.32Å; V203-I207 WeakPolarHBondContact O-CG1 3.32Å; V203-I207 PolarHBondContact O-N 2.8Å; V203-I207 VanDerWaalsContact O-N 3.12Å; V203-L225 HydrophobicContact CG1-CB 4.37Å; V203-K226 VanDerWaalsContact CG2-O 3.31Å; V203-K226 WeakPolarHBondContact CG2-O 3.47Å; V203-F227 HydrophobicContact CG1-CD1 3.74Å; V203-F227 HydrophobicContact CG1-CD2 4.41Å; V203-F227 HydrophobicContact CG1-CE1 3.64Å; V203-F227 HydrophobicContact CG1-CE2 4.29Å; V203-F227 HydrophobicContact CG1-CG 4.15Å; V203-F227 HydrophobicContact CG1-CZ 3.94Å |
| 204 | L | 88.7 | Confident | 80.4 | Confident | 87 Ų | 87 | 76 Ų | 76 | 46% | 0.455 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -65.5 | -39 | 175.9 | -69 | 174.2 | 0 | 0 | 0 | 112.1 | L200 D201 M202 I207 S208 | L200-L204 HydrophobicContact CG-CD1 4.21Å; L200-L204 WeakPolarHBondContact O-CG 3.33Å; L200-L204 PolarHBondContact O-N 3.46Å; D201-L204 PolarHBondContact O-N 2.85Å; M202-L204 VanDerWaalsContact C-N 3.33Å; L204-I207 HydrophobicContact CD2-CD1 4.29Å; L204-I207 PolarHBondContact O-N 3.43Å; L204-S208 PolarHBondContact O-N 3.21Å |
| 205 | E | 87.2 | Confident | 78.8 | Confident | 138 Ų | 138 | 80.1 Ų | 80.1 | 65% | 0.645 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -63.3 | -42.8 | 173.9 | -172.4 | 172.3 | -171.7 | 0 | 0 | 111.3 | D201 M202 I207 S208 R209 | D201-E205 PolarHBondContact O-N 3.41Å; M202-E205 PolarHBondContact O-N 2.94Å; E205-I207 VanDerWaalsContact C-N 3.32Å; E205-I207 PolarHBondContact O-N 3.2Å; E205-S208 WeakPolarHBondContact O-CB 3.32Å; E205-S208 PolarHBondContact O-N 3.23Å; E205-S208 VanDerWaalsContact O-N 3.1Å; E205-S208 PolarHBondContact O-OG 2.03Å; E205-R209 PolarHBondContact O-N 3.3Å |
| 206 | E | 84.7 | Confident | 77.2 | Confident | 81 Ų | 81 | 86.6 Ų | 86.6 | 38% | 0.379 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -57.7 | -43.1 | 175.6 | -179 | 170.2 | -166.4 | 0 | 0 | 112.2 | M202 V203 S208 R209 M210 L225 | M202-E206 PolarHBondContact O-N 3.43Å; V203-E206 PolarHBondContact O-N 3.35Å; E206-S208 PolarHBondContact O-N 3.24Å; E206-R209 WeakPolarHBondContact O-CB 3.4Å; E206-R209 PolarHBondContact O-N 3.47Å; E206-M210 HydrophobicContact CG-CE 3.57Å; E206-M210 HydrophobicContact CG-SD 4.39Å; E206-M210 WeakPolarHBondContact O-CG 3.5Å; E206-M210 PolarHBondContact O-N 3.33Å; E206-M210 WeakPolarHBondContact OE1-CE 3.46Å; E206-L225 HydrophobicContact CG-CD2 4.12Å; E206-L225 WeakPolarHBondContact OE2-CD2 3.5Å |
| 207 | I | 83.4 | Confident | 75.6 | Confident | 33 Ų | 33 | 88.6 Ų | 88.6 | 17% | 0.169 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -63.7 | -42.3 | 175.4 | -62.8 | 159.7 | 0 | 0 | 0 | 111.1 | V203 L204 E205 R209 M210 T211 L222 L225 F227 | V203-I207 HydrophobicContact CG1-CD1 4.4Å; V203-I207 WeakPolarHBondContact O-CD1 3.39Å; V203-I207 VanDerWaalsContact O-CG1 3.32Å; V203-I207 WeakPolarHBondContact O-CG1 3.32Å; V203-I207 PolarHBondContact O-N 2.8Å; V203-I207 VanDerWaalsContact O-N 3.12Å; L204-I207 HydrophobicContact CD2-CD1 4.29Å; L204-I207 PolarHBondContact O-N 3.43Å; E205-I207 VanDerWaalsContact C-N 3.32Å; E205-I207 PolarHBondContact O-N 3.2Å; I207-R209 PolarHBondContact O-N 2.91Å; I207-M210 PolarHBondContact O-N 3.44Å; I207-T211 HydrophobicContact CG2-CG2 3.97Å; I207-T211 WeakPolarHBondContact O-CB 3.36Å; I207-T211 WeakPolarHBondContact O-CG2 3.42Å; I207-T211 PolarHBondContact O-N 3.36Å; I207-T211 PolarHBondContact O-OG1 3.28Å; I207-L222 HydrophobicContact CG2-CD2 4.34Å; I207-L225 HydrophobicContact CD1-CD1 4.34Å; I207-L225 HydrophobicContact CG1-CD1 3.56Å; I207-F227 HydrophobicContact CD1-CE1 3.36Å; I207-F227 HydrophobicContact CD1-CZ 3.28Å; I207-F227 HydrophobicContact CG1-CZ 4.27Å |
| 208 | S | 82.1 | Confident | 74 | Confident | 64 Ų | 64 | 89 Ų | 89 | 45% | 0.448 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -61 | -34.1 | 179.2 | 80.8 | 0 | 0 | 0 | 0 | 111.8 | L204 E205 E206 T211 S212 | L204-S208 PolarHBondContact O-N 3.21Å; E205-S208 WeakPolarHBondContact O-CB 3.32Å; E205-S208 PolarHBondContact O-N 3.23Å; E205-S208 VanDerWaalsContact O-N 3.1Å; E205-S208 PolarHBondContact O-OG 2.03Å; E206-S208 PolarHBondContact O-N 3.24Å; S208-T211 WeakPolarHBondContact CA-OG1 3.49Å; S208-T211 PolarHBondContact O-OG1 3.07Å; S208-S212 WeakPolarHBondContact O-CB 3.4Å; S208-S212 PolarHBondContact O-N 3.49Å; S208-S212 PolarHBondContact O-OG 3.4Å |
| 209 | R | 78.6 | Confident | 72.5 | Confident | 135 Ų | 135 | 87.2 Ų | 87.2 | 51% | 0.509 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -71.8 | -42.3 | 174.9 | -163.6 | -171.8 | 70.4 | 79.9 | -0.1 | 111.9 | E205 E206 I207 S212 E213 | E205-R209 PolarHBondContact O-N 3.3Å; E206-R209 WeakPolarHBondContact O-CB 3.4Å; E206-R209 PolarHBondContact O-N 3.47Å; I207-R209 PolarHBondContact O-N 2.91Å; R209-S212 PolarHBondContact O-OG 2.9Å; R209-S212 VanDerWaalsContact O-OG 3.07Å; R209-E213 IonicContact NH1-OE1 3.64Å |
| 210 | M | 66.3 | Low | 71.2 | Confident | 52 Ų | 52 | 89.5 Ų | 89.5 | 26% | 0.256 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -69.8 | -30.4 | 178.4 | -68.4 | 179.5 | -176.3 | 0 | 0 | 113.6 | E206 I207 L225 | E206-M210 HydrophobicContact CG-CE 3.57Å; E206-M210 HydrophobicContact CG-SD 4.39Å; E206-M210 WeakPolarHBondContact O-CG 3.5Å; E206-M210 PolarHBondContact O-N 3.33Å; E206-M210 WeakPolarHBondContact OE1-CE 3.46Å; I207-M210 PolarHBondContact O-N 3.44Å; M210-L225 HydrophobicContact CE-CD2 4.3Å; M210-L225 HydrophobicContact SD-CD1 4.37Å |
| 211 | T | 63.9 | Low | 70 | Confident | 100 Ų | 100 | 92.4 Ų | 92.4 | 61% | 0.613 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -84.7 | -20.5 | -178.4 | 49.8 | 0 | 0 | 0 | 0 | 113.7 | I207 S208 | I207-T211 HydrophobicContact CG2-CG2 3.97Å; I207-T211 WeakPolarHBondContact O-CB 3.36Å; I207-T211 WeakPolarHBondContact O-CG2 3.42Å; I207-T211 PolarHBondContact O-N 3.36Å; I207-T211 PolarHBondContact O-OG1 3.28Å; S208-T211 WeakPolarHBondContact CA-OG1 3.49Å; S208-T211 PolarHBondContact O-OG1 3.07Å |
| 212 | S | 58.1 | Low | 69.1 | Low | 92 Ų | 92 | 91.7 Ų | 91.7 | 64% | 0.643 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -85.7 | -29.8 | 178.6 | 50.4 | 0 | 0 | 0 | 0 | 113.1 | S208 R209 D214 | S208-S212 WeakPolarHBondContact O-CB 3.4Å; S208-S212 PolarHBondContact O-N 3.49Å; S208-S212 PolarHBondContact O-OG 3.4Å; R209-S212 PolarHBondContact O-OG 2.9Å; R209-S212 VanDerWaalsContact O-OG 3.07Å; S212-D214 PolarHBondContact O-N 3.22Å |
| 213 | E | 57.8 | Low | 68.3 | Low | 94 Ų | 94 | 90.3 Ų | 90.3 | 44% | 0.439 | 47% | 0.465 | S | S | . | . | S | Bend | trans | -81.4 | 110.7 | 168.6 | -65.9 | -176.5 | -167.9 | 0 | 0 | 108.8 | R209 N215 | R209-E213 IonicContact NH1-OE1 3.64Å; E213-N215 HydrophobicContact CB-CB 4.41Å; E213-N215 PolarHBondContact O-N 3.3Å; E213-N215 PolarHBondContact OE2-ND2 2.99Å |
| 214 | D | 52.1 | Low | 67.6 | Low | 123 Ų | 123 | 91.9 Ų | 91.9 | 66% | 0.658 | 49% | 0.485 | S | S | * | . | trans | -65.3 | 22.6 | 172.2 | -155.8 | 15.5 | 0 | 0 | 0 | 112.7 | S212 R216 | S212-D214 PolarHBondContact O-N 3.22Å; D214-R216 PolarHBondContact O-N 3.17Å; D214-R216 IonicContact OD1-CZ 2.97Å; D214-R216 IonicContact OD1-NH1 2.83Å; D214-R216 PolarHBondContact OD1-NH1 3Å; D214-R216 IonicContact OD1-NH2 3.91Å; D214-R216 IonicContact OD2-NH1 3.48Å | ||
| 215 | N | 48.6 | Very low | 67.3 | Low | 122 Ų | 122 | 88.5 Ų | 88.5 | 65% | 0.652 | 47% | 0.467 | S | S | * | . | trans | -70.7 | 84.6 | 155.9 | -69.8 | -46.5 | 0 | 0 | 0 | 106.8 | E213 G217 | E213-N215 HydrophobicContact CB-CB 4.41Å; E213-N215 PolarHBondContact O-N 3.3Å; E213-N215 PolarHBondContact OE2-ND2 2.99Å; N215-G217 PolarHBondContact O-N 3.33Å | ||
| 216 | R | 52.5 | Low | 67.1 | Low | 212 Ų | 212 | 87.2 Ų | 87.2 | 80% | 0.8 | 46% | 0.459 | S | S | * | . | trans | -59.9 | 62.5 | 161.1 | -66.7 | -178.7 | 174.5 | 78 | 5.4 | 109.9 | D214 | D214-R216 PolarHBondContact O-N 3.17Å; D214-R216 IonicContact OD1-CZ 2.97Å; D214-R216 IonicContact OD1-NH1 2.83Å; D214-R216 PolarHBondContact OD1-NH1 3Å; D214-R216 IonicContact OD1-NH2 3.91Å; D214-R216 IonicContact OD2-NH1 3.48Å | ||
| 217 | G | 56.3 | Low | 67.4 | Low | 42 Ų | 42 | 86.8 Ų | 86.8 | 43% | 0.433 | 46% | 0.456 | S | S | . | . | trans | -58.5 | 160.8 | 163 | 0 | 0 | 0 | 0 | 0 | 108.7 | N215 L219 | N215-G217 PolarHBondContact O-N 3.33Å; G217-L219 PolarHBondContact O-N 3.33Å; G217-L219 VanDerWaalsContact O-N 3.15Å | ||
| 218 | P | 56 | Low | 67.8 | Low | 73 Ų | 73 | 85.8 Ų | 85.8 | 47% | 0.474 | 45% | 0.452 | S | S | . | . | trans | -55.3 | 128.2 | -176.6 | 20.8 | -29.8 | 0 | 0 | 0 | 109.7 | E220 N221 | P218-E220 HydrophobicContact CB-CB 4.18Å; P218-E220 HydrophobicContact CB-CG 4.42Å; P218-E220 VanDerWaalsContact CB-OE2 3.28Å; P218-E220 WeakPolarHBondContact CB-OE2 3.46Å; P218-E220 PolarHBondContact O-N 2.66Å; P218-N221 PolarHBondContact O-N 3.42Å | ||
| 219 | L | 58.8 | Low | 68.3 | Low | 74 Ų | 74 | 86.5 Ų | 86.5 | 39% | 0.387 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.1 | -19 | 177.7 | -171.6 | 69.8 | 0 | 0 | 0 | 112.5 | P34 G217 N221 L222 Y223 | P34-L219 HydrophobicContact CB-CD2 4.38Å; P34-L219 HydrophobicContact CG-CD2 4.13Å; G217-L219 PolarHBondContact O-N 3.33Å; G217-L219 VanDerWaalsContact O-N 3.15Å; L219-N221 PolarHBondContact O-N 2.94Å; L219-L222 HydrophobicContact CD1-CD1 3.91Å; L219-L222 PolarHBondContact O-N 3.12Å; L219-Y223 HydrophobicContact CB-CE2 4.43Å; L219-Y223 HydrophobicContact CD2-CE2 3.88Å; L219-Y223 HydrophobicContact CG-CE2 3.69Å; L219-Y223 WeakPolarHBondContact O-CD2 3.5Å |
| 220 | E | 62.6 | Low | 68.9 | Low | 121 Ų | 121 | 81.3 Ų | 81.3 | 57% | 0.565 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -48 | -37.1 | 169.4 | -70.8 | 148.4 | -164.2 | 0 | 0 | 114.2 | P218 L222 Y223 G224 | P218-E220 HydrophobicContact CB-CB 4.18Å; P218-E220 HydrophobicContact CB-CG 4.42Å; P218-E220 VanDerWaalsContact CB-OE2 3.28Å; P218-E220 WeakPolarHBondContact CB-OE2 3.46Å; P218-E220 PolarHBondContact O-N 2.66Å; E220-L222 VanDerWaalsContact C-N 3.31Å; E220-L222 PolarHBondContact O-N 3.36Å; E220-Y223 PolarHBondContact O-N 3.44Å; E220-G224 PolarHBondContact O-N 3.49Å |
| 221 | N | 64.7 | Low | 70 | Confident | 99 Ų | 99 | 81.8 Ų | 81.8 | 53% | 0.529 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -65.3 | -33.7 | -178.5 | -70.6 | -19.9 | 0 | 0 | 0 | 112.6 | P218 L219 G224 | P218-N221 PolarHBondContact O-N 3.42Å; L219-N221 PolarHBondContact O-N 2.94Å; N221-G224 PolarHBondContact O-N 2.91Å |
| 222 | L | 71 | Confident | 71.1 | Confident | 59 Ų | 59 | 88.3 Ų | 88.3 | 31% | 0.309 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -69.3 | -33.8 | 176.2 | -77.6 | 132 | 0 | 0 | 0 | 112.3 | I207 L219 E220 G224 L225 | I207-L222 HydrophobicContact CG2-CD2 4.34Å; L219-L222 HydrophobicContact CD1-CD1 3.91Å; L219-L222 PolarHBondContact O-N 3.12Å; E220-L222 VanDerWaalsContact C-N 3.31Å; E220-L222 PolarHBondContact O-N 3.36Å; L222-G224 PolarHBondContact O-N 3.17Å; L222-L225 WeakPolarHBondContact O-CB 3.3Å; L222-L225 PolarHBondContact O-N 2.68Å |
| 223 | Y | 71.9 | Confident | 72.3 | Confident | 81 Ų | 81 | 91.1 Ų | 91.1 | 32% | 0.318 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -73.2 | -16.9 | 177.7 | -64 | -66.4 | 0 | 0 | 0 | 113 | L219 E220 M243 | L219-Y223 HydrophobicContact CB-CE2 4.43Å; L219-Y223 HydrophobicContact CD2-CE2 3.88Å; L219-Y223 HydrophobicContact CG-CE2 3.69Å; L219-Y223 WeakPolarHBondContact O-CD2 3.5Å; E220-Y223 PolarHBondContact O-N 3.44Å; Y223-M243 HydrophobicContact CD1-CG 4.42Å; Y223-M243 HydrophobicContact CD1-SD 3.84Å; Y223-M243 HydrophobicContact CE1-SD 4.15Å |
| 224 | G | 73.3 | Confident | 73.6 | Confident | 48 Ų | 48 | 87 Ų | 87 | 50% | 0.495 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -77.3 | -23 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114 | E220 N221 L222 K226 | E220-G224 PolarHBondContact O-N 3.49Å; N221-G224 PolarHBondContact O-N 2.91Å; L222-G224 PolarHBondContact O-N 3.17Å; G224-K226 PolarHBondContact O-N 2.88Å |
| 225 | L | 82.9 | Confident | 75.3 | Confident | 16 Ų | 16 | 84.8 Ų | 84.8 | 8% | 0.084 | 43% | 0.425 | C | S | . | . | trans | -64.4 | 132.7 | -177.7 | -61.9 | 178 | 0 | 0 | 0 | 111.2 | V203 E206 I207 M210 L222 F227 | V203-L225 HydrophobicContact CG1-CB 4.37Å; E206-L225 HydrophobicContact CG-CD2 4.12Å; E206-L225 WeakPolarHBondContact OE2-CD2 3.5Å; I207-L225 HydrophobicContact CD1-CD1 4.34Å; I207-L225 HydrophobicContact CG1-CD1 3.56Å; M210-L225 HydrophobicContact CE-CD2 4.3Å; M210-L225 HydrophobicContact SD-CD1 4.37Å; L222-L225 WeakPolarHBondContact O-CB 3.3Å; L222-L225 PolarHBondContact O-N 2.68Å; L225-F227 HydrophobicContact CB-CD2 4.38Å; L225-F227 HydrophobicContact CB-CE2 3.74Å; L225-F227 HydrophobicContact CB-CZ 4.33Å | ||
| 226 | K | 84.4 | Confident | 77.3 | Confident | 111 Ų | 111 | 79.9 Ų | 79.9 | 48% | 0.483 | 40% | 0.397 | S | S | . | . | trans | -96.5 | 109.6 | 179.3 | -59.6 | -56.9 | -177.3 | -164.3 | 0 | 109 | V203 G224 P228 N242 | V203-K226 VanDerWaalsContact CG2-O 3.31Å; V203-K226 WeakPolarHBondContact CG2-O 3.47Å; G224-K226 PolarHBondContact O-N 2.88Å; K226-P228 WeakPolarHBondContact O-CD 3.33Å; K226-N242 VanDerWaalsContact CD-OD1 3.31Å; K226-N242 WeakPolarHBondContact CD-OD1 3.33Å; K226-N242 WeakPolarHBondContact CE-OD1 3.46Å; K226-N242 VanDerWaalsContact NZ-CG 3.25Å; K226-N242 PolarHBondContact NZ-ND2 3.4Å; K226-N242 PolarHBondContact NZ-OD1 3.42Å | ||
| 227 | F | 90.4 | Very high | 79.2 | Confident | 71 Ų | 71 | 72.2 Ų | 72.2 | 31% | 0.311 | 37% | 0.372 | S | S | . | . | trans | -92.8 | 112.9 | 176.2 | -67 | -98.2 | 0 | 0 | 0 | 109.3 | L200 V203 I207 L225 N229 M243 | L200-F227 HydrophobicContact CD1-CD1 4.41Å; V203-F227 HydrophobicContact CG1-CD1 3.74Å; V203-F227 HydrophobicContact CG1-CD2 4.41Å; V203-F227 HydrophobicContact CG1-CE1 3.64Å; V203-F227 HydrophobicContact CG1-CE2 4.29Å; V203-F227 HydrophobicContact CG1-CG 4.15Å; V203-F227 HydrophobicContact CG1-CZ 3.94Å; I207-F227 HydrophobicContact CD1-CE1 3.36Å; I207-F227 HydrophobicContact CD1-CZ 3.28Å; I207-F227 HydrophobicContact CG1-CZ 4.27Å; L225-F227 HydrophobicContact CB-CD2 4.38Å; L225-F227 HydrophobicContact CB-CE2 3.74Å; L225-F227 HydrophobicContact CB-CZ 4.33Å; F227-N229 PolarHBondContact O-N 3.08Å; F227-M243 HydrophobicContact CD2-CE 3.78Å; F227-M243 HydrophobicContact CE2-CE 3.37Å; F227-M243 HydrophobicContact CZ-CE 4.23Å | ||
| 228 | P | 92.2 | Very high | 80.8 | Confident | 12 Ų | 12 | 71.3 Ų | 71.3 | 8% | 0.078 | 36% | 0.357 | C | S | . | . | trans | -69.2 | 128.7 | 174.1 | 29.8 | -34.5 | 0 | 0 | 0 | 109.3 | E199 L200 K226 C230 Y236 | E199-P228 HydrophobicContact CB-CG 4.01Å; E199-P228 HydrophobicContact CG-CG 3.94Å; L200-P228 HydrophobicContact CB-CG 3.99Å; L200-P228 HydrophobicContact CD1-CG 4.48Å; K226-P228 WeakPolarHBondContact O-CD 3.33Å; P228-C230 PolarHBondContact O-N 2.79Å; P228-Y236 HydrophobicContact CB-CD1 4.33Å; P228-Y236 HydrophobicContact CB-CE1 4.01Å | ||
| 229 | N | 91.8 | Very high | 82.4 | Confident | 80 Ų | 80 | 70.8 Ų | 70.8 | 43% | 0.428 | 35% | 0.347 | S | S | . | . | trans | -83.3 | 108.8 | 174.1 | -176 | 5.7 | 0 | 0 | 0 | 108.8 | F227 N237 Q240 | F227-N229 PolarHBondContact O-N 3.08Å; N229-N237 HydrophobicContact CB-CB 4.17Å; N229-N237 VanDerWaalsContact CG-ND2 3.35Å; N229-N237 WeakPolarHBondContact O-CB 3.12Å; N229-N237 PolarHBondContact O-N 2.83Å; N229-N237 PolarHBondContact O-ND2 3.32Å; N229-N237 PolarHBondContact OD1-ND2 2.9Å; N229-Q240 PolarHBondContact O-NE2 2.95Å | ||
| 230 | C | 91.4 | Very high | 84 | Confident | 25 Ų | 25 | 67.8 Ų | 67.8 | 17% | 0.169 | 33% | 0.331 | C | S | . | . | B | Isolated β-bridge | trans | -104.1 | 147.9 | -178.2 | -49.5 | 0 | 0 | 0 | 0 | 112 | C196 P228 L235 N237 | C196-C230 HydrophobicContact CB-CB 4Å; C196-C230 WeakPolarHBondContact CB-SG 3.22Å; C196-C230 PolarHBondContact O-SG 3.39Å; C196-C230 VanDerWaalsContact O-SG 3.33Å; C196-C230 WeakPolarHBondContact SG-CA 3.32Å; C196-C230 WeakPolarHBondContact SG-CB 3.39Å; C196-C230 CovalentContact SG-SG 2.03Å; C196-C230 PolarHBondContact SG-SG 3.23Å; P228-C230 PolarHBondContact O-N 2.79Å; C230-L235 CarbonylContact C-O 3.48Å; C230-L235 WeakPolarHBondContact CA-O 3.37Å; C230-N237 PolarHBondContact O-ND2 3.15Å; C230-N237 VanDerWaalsContact O-ND2 3.13Å |
| 231 | D | 88.9 | Confident | 85.4 | Confident | 62 Ų | 62 | 64.4 Ų | 64.4 | 33% | 0.332 | 32% | 0.321 | S | S | . | . | trans | -80.3 | 169.3 | 168 | -174.7 | 30.8 | 0 | 0 | 0 | 110.9 | H233 G234 L235 N237 | D231-H233 PolarHBondContact O-N 3.09Å; D231-H233 VanDerWaalsContact O-N 3.08Å; D231-H233 IonicContact OD2-CE1 3.36Å; D231-H233 IonicContact OD2-CG 3.75Å; D231-H233 IonicContact OD2-ND1 3.93Å; D231-H233 PolarHBondContact OD2-ND1 3.25Å; D231-G234 PolarHBondContact O-N 2.93Å; D231-L235 PolarHBondContact N-O 3.36Å; D231-N237 PolarHBondContact N-ND2 2.94Å | ||
| 232 | R | 86.4 | Confident | 86.5 | Confident | 238 Ų | 238 | 61.3 Ų | 61.3 | 90% | 0.898 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | -27.9 | 178.5 | -54.7 | 174.7 | -169.8 | -96.9 | -0.6 | 113.4 | G234 | R232-G234 VanDerWaalsContact C-N 3.32Š|
| 233 | H | 84.2 | Confident | 87.1 | Confident | 150 Ų | 150 | 62.1 Ų | 62.1 | 69% | 0.694 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | -1.6 | 178.3 | -51.5 | 96.9 | 0 | 0 | 0 | 113.2 | D231 L235 | D231-H233 PolarHBondContact O-N 3.09Å; D231-H233 VanDerWaalsContact O-N 3.08Å; D231-H233 IonicContact OD2-CE1 3.36Å; D231-H233 IonicContact OD2-CG 3.75Å; D231-H233 IonicContact OD2-ND1 3.93Å; D231-H233 PolarHBondContact OD2-ND1 3.25Å; H233-L235 VanDerWaalsContact C-N 3.34Å |
| 234 | G | 84.9 | Confident | 87.6 | Confident | 7 Ų | 7 | 60.1 Ų | 60.1 | 7% | 0.072 | 31% | 0.305 | C | S | . | . | S | Bend | trans | 80.2 | 11.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115 | S194 C196 D231 R232 | S194-G234 WeakPolarHBondContact CB-O 3.05Å; S194-G234 VanDerWaalsContact OG-C 3.29Å; S194-G234 WeakPolarHBondContact OG-CA 3.35Å; S194-G234 PolarHBondContact OG-O 3.11Å; C196-G234 WeakPolarHBondContact CB-O 3.47Å; D231-G234 PolarHBondContact O-N 2.93Å; R232-G234 VanDerWaalsContact C-N 3.32Å |
| 235 | L | 89 | Confident | 87.9 | Confident | 77 Ų | 77 | 60.6 Ų | 60.6 | 40% | 0.403 | 30% | 0.298 | S | S | . | . | P | Polyproline II helix | trans | -83 | 155.6 | 170.4 | -65.5 | 171.2 | 0 | 0 | 0 | 110.2 | C230 D231 H233 | C230-L235 CarbonylContact C-O 3.48Å; C230-L235 WeakPolarHBondContact CA-O 3.37Å; D231-L235 PolarHBondContact N-O 3.36Å; H233-L235 VanDerWaalsContact C-N 3.34Å |
| 236 | Y | 89.7 | Confident | 87.3 | Confident | 19 Ų | 19 | 65.8 Ų | 65.8 | 8% | 0.075 | 32% | 0.322 | C | S | . | . | B | Isolated β-bridge | trans | -68.6 | 135.8 | 174.6 | -65.7 | -90.2 | 0 | 0 | 0 | 110 | S195 C196 E199 P228 P257 G260 | S195-Y236 PolarHBondContact OG-OH 3.13Å; C196-Y236 HydrophobicContact CB-CD1 3.84Å; C196-Y236 HydrophobicContact CB-CD2 3.93Å; C196-Y236 HydrophobicContact CB-CE1 3.69Å; C196-Y236 HydrophobicContact CB-CE2 3.8Å; C196-Y236 HydrophobicContact CB-CG 3.95Å; C196-Y236 WeakPolarHBondContact SG-CD1 3.31Å; C196-Y236 VanDerWaalsContact SG-CE1 3.53Å; E199-Y236 WeakPolarHBondContact OE2-CE1 3.49Å; E199-Y236 PolarHBondContact OE2-OH 3.26Å; P228-Y236 HydrophobicContact CB-CD1 4.33Å; P228-Y236 HydrophobicContact CB-CE1 4.01Å; Y236-P257 PolarHBondContact N-O 3.49Å; Y236-P257 WeakPolarHBondContact O-CA 3.29Å; Y236-P257 WeakPolarHBondContact O-CB 3.42Å; Y236-G260 VanDerWaalsContact CD2-CA 3.49Å; Y236-G260 VanDerWaalsContact CD2-N 3.34Å; Y236-G260 VanDerWaalsContact CG-CA 3.5Å |
| 237 | N | 91.4 | Very high | 86.7 | Confident | 52 Ų | 52 | 60.9 Ų | 60.9 | 28% | 0.278 | 30% | 0.303 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 139.8 | 166.2 | -86.9 | -69 | 0 | 0 | 0 | 109.6 | N229 C230 D231 K239 Q240 V255 | N229-N237 HydrophobicContact CB-CB 4.17Å; N229-N237 VanDerWaalsContact CG-ND2 3.35Å; N229-N237 WeakPolarHBondContact O-CB 3.12Å; N229-N237 PolarHBondContact O-N 2.83Å; N229-N237 PolarHBondContact O-ND2 3.32Å; N229-N237 PolarHBondContact OD1-ND2 2.9Å; C230-N237 PolarHBondContact O-ND2 3.15Å; C230-N237 VanDerWaalsContact O-ND2 3.13Å; D231-N237 PolarHBondContact N-ND2 2.94Å; N237-K239 PolarHBondContact O-N 3.35Å; N237-K239 VanDerWaalsContact O-N 3.08Å; N237-Q240 PolarHBondContact O-NE2 3.06Å; N237-V255 WeakPolarHBondContact O-CG2 3.33Å |
| 238 | L | 90 | Very high | 86.1 | Confident | 23 Ų | 23 | 61.4 Ų | 61.4 | 12% | 0.12 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -56.2 | -31.5 | -178 | -167.5 | 76.1 | 0 | 0 | 0 | 112.3 | C254 V255 P257 I263 C275 Q279 | L238-C254 CarbonylContact O-C 3.54Å; L238-C254 WeakPolarHBondContact O-CA 3.38Å; L238-V255 VanDerWaalsContact CD1-O 3.32Å; L238-V255 WeakPolarHBondContact CD1-O 3.5Å; L238-V255 PolarHBondContact O-N 2.94Å; L238-P257 HydrophobicContact CD1-CG 3.9Å; L238-I263 HydrophobicContact CD1-CD1 4.25Å; L238-C275 HydrophobicContact CB-CB 4.49Å; L238-C275 HydrophobicContact CD2-CB 3.5Å; L238-C275 VanDerWaalsContact CD2-CB 3.5Å; L238-C275 WeakPolarHBondContact CD2-O 3.37Å; L238-C275 HydrophobicContact CG-CB 3.74Å; L238-Q279 HydrophobicContact CD2-CB 4.23Å |
| 239 | K | 91.2 | Very high | 85.7 | Confident | 61 Ų | 61 | 63.8 Ų | 63.8 | 27% | 0.265 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 121.7 | 174.8 | 178.3 | 173.3 | 62.7 | -172.5 | 0 | 110.6 | N237 C252 D272 P273 | N237-K239 PolarHBondContact O-N 3.35Å; N237-K239 VanDerWaalsContact O-N 3.08Å; K239-C252 HydrophobicContact CD-CB 4.48Å; K239-C252 HydrophobicContact CG-CB 4.36Å; K239-D272 IonicContact NZ-OD1 2.82Å; K239-D272 PolarHBondContact NZ-OD1 3.2Å; K239-D272 IonicContact NZ-OD2 3.73Å; K239-D272 PolarHBondContact NZ-OD2 2.9Å; K239-P273 HydrophobicContact CD-CG 4.17Å; K239-P273 HydrophobicContact CG-CG 4.19Å |
| 240 | Q | 91.6 | Very high | 85.4 | Confident | 11 Ų | 11 | 60.3 Ų | 60.3 | 5% | 0.051 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 144.6 | 171.1 | -62.1 | -61.5 | -33.6 | 0 | 0 | 109.6 | N229 N237 C252 W253 V255 | N229-Q240 PolarHBondContact O-NE2 2.95Å; N237-Q240 PolarHBondContact O-NE2 3.06Å; Q240-C252 CarbonylContact O-C 3.51Å; Q240-C252 WeakPolarHBondContact O-CA 3.36Å; Q240-C252 WeakPolarHBondContact O-CB 3.26Å; Q240-W253 HydrophobicContact CB-CD2 4.32Å; Q240-W253 HydrophobicContact CB-CZ2 3.85Å; Q240-W253 PolarHBondContact N-O 2.92Å; Q240-W253 PolarHBondContact O-N 3.37Å; Q240-V255 HydrophobicContact CB-CG1 4.14Å; Q240-V255 HydrophobicContact CG-CB 4.18Å; Q240-V255 HydrophobicContact CG-CG1 3.58Å; Q240-V255 HydrophobicContact CG-CG2 3.47Å; Q240-V255 VanDerWaalsContact CG-CG2 3.47Å |
| 241 | C | 91.3 | Very high | 85.4 | Confident | 51 Ų | 51 | 62.6 Ų | 62.6 | 35% | 0.345 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 139.9 | -175.5 | -67.8 | 0 | 0 | 0 | 0 | 111.1 | E251 C252 | C241-E251 WeakPolarHBondContact CA-O 3.21Å; C241-C252 HydrophobicContact CB-CB 4.1Å; C241-C252 WeakPolarHBondContact CB-SG 3.38Å; C241-C252 WeakPolarHBondContact SG-CB 3.33Å; C241-C252 CovalentContact SG-SG 2.04Å; C241-C252 PolarHBondContact SG-SG 3.25Å |
| 242 | N | 88.9 | Confident | 85.5 | Confident | 33 Ų | 33 | 59.7 Ų | 59.7 | 18% | 0.176 | 29% | 0.289 | C | S | . | . | P | Polyproline II helix | trans | -70.7 | 157.8 | 165.2 | -71.7 | -29.4 | 0 | 0 | 0 | 111 | K226 G250 E251 W253 | K226-N242 VanDerWaalsContact CD-OD1 3.31Å; K226-N242 WeakPolarHBondContact CD-OD1 3.33Å; K226-N242 WeakPolarHBondContact CE-OD1 3.46Å; K226-N242 VanDerWaalsContact NZ-CG 3.25Å; K226-N242 PolarHBondContact NZ-ND2 3.4Å; K226-N242 PolarHBondContact NZ-OD1 3.42Å; N242-G250 WeakPolarHBondContact O-CA 3.15Å; N242-E251 PolarHBondContact N-O 2.9Å; N242-W253 VanDerWaalsContact OD1-CH2 3.32Å; N242-W253 WeakPolarHBondContact OD1-CH2 3.47Å |
| 243 | M | 83.4 | Confident | 85.8 | Confident | 77 Ų | 77 | 50.2 Ų | 50.2 | 38% | 0.379 | 25% | 0.254 | S | S | . | . | P | Polyproline II helix | trans | -63.8 | 151.7 | 171.2 | -156.1 | 174.3 | -51.9 | 0 | 0 | 110.8 | Y223 F227 T245 | Y223-M243 HydrophobicContact CD1-CG 4.42Å; Y223-M243 HydrophobicContact CD1-SD 3.84Å; Y223-M243 HydrophobicContact CE1-SD 4.15Å; F227-M243 HydrophobicContact CD2-CE 3.78Å; F227-M243 HydrophobicContact CE2-CE 3.37Å; F227-M243 HydrophobicContact CZ-CE 4.23Å; M243-T245 PolarHBondContact O-N 3.04Å |
| 244 | S | 83 | Confident | 86.2 | Confident | 39 Ų | 39 | 43.1 Ų | 43.1 | 27% | 0.273 | 22% | 0.221 | S | C | . | . | P | Polyproline II helix | trans | -70 | 126.6 | 176.2 | -62 | 0 | 0 | 0 | 0 | 110.1 | Y76 Q248 | Y76-S244 PolarHBondContact OH-OG 2.94Å; S244-Q248 VanDerWaalsContact CA-O 3.28Å; S244-Q248 WeakPolarHBondContact CA-O 3.41Å; S244-Q248 WeakPolarHBondContact CB-O 3.3Å |
| 245 | T | 78 | Confident | 86.5 | Confident | 57 Ų | 57 | 42.8 Ų | 42.8 | 35% | 0.35 | 22% | 0.217 | S | C | . | . | B | Isolated β-bridge | trans | -114.5 | 137.6 | 179.1 | 55.3 | 0 | 0 | 0 | 0 | 110 | M243 G247 Q248 | M243-T245 PolarHBondContact O-N 3.04Å; T245-G247 PolarHBondContact O-N 2.9Å; T245-Q248 PolarHBondContact N-O 3.45Å; T245-Q248 PolarHBondContact O-N 3.39Å |
| 246 | H | 71.1 | Confident | 86.5 | Confident | 126 Ų | 126 | 41.4 Ų | 41.4 | 58% | 0.583 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.4 | 30.2 | -179.8 | -50.8 | -76 | 0 | 0 | 0 | 114.6 | Q248 | H246-Q248 PolarHBondContact O-N 2.96Š|
| 247 | G | 71.4 | Confident | 86.5 | Confident | 8 Ų | 8 | 42.2 Ų | 42.2 | 8% | 0.082 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.3 | 13.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | P57 Y76 T245 | P57-G247 WeakPolarHBondContact CG-O 3.49Å; P57-G247 VanDerWaalsContact O-CA 3.31Å; P57-G247 WeakPolarHBondContact O-CA 3.2Å; Y76-G247 WeakPolarHBondContact CD1-O 3Å; T245-G247 PolarHBondContact O-N 2.9Å |
| 248 | Q | 77.9 | Confident | 86.2 | Confident | 81 Ų | 81 | 45.9 Ų | 45.9 | 38% | 0.379 | 24% | 0.237 | S | C | . | . | B | Isolated β-bridge | trans | -92.2 | 148.4 | 164.7 | -64 | -61.5 | -31.7 | 0 | 0 | 109.6 | S244 T245 H246 G250 | S244-Q248 VanDerWaalsContact CA-O 3.28Å; S244-Q248 WeakPolarHBondContact CA-O 3.41Å; S244-Q248 WeakPolarHBondContact CB-O 3.3Å; T245-Q248 PolarHBondContact N-O 3.45Å; T245-Q248 PolarHBondContact O-N 3.39Å; H246-Q248 PolarHBondContact O-N 2.96Å; Q248-G250 PolarHBondContact O-N 3.34Å |
| 249 | R | 84.1 | Confident | 86 | Confident | 63 Ų | 63 | 48.4 Ų | 48.4 | 24% | 0.238 | 25% | 0.254 | C | S | . | . | P | Polyproline II helix | trans | -65.3 | 135.6 | 175.5 | -169 | 162.7 | 178.2 | 160.6 | -0 | 109.5 | Y76 | Y76-R249 HydrophobicContact CD1-CB 4.26Å; Y76-R249 HydrophobicContact CD2-CB 4.34Å; Y76-R249 HydrophobicContact CE1-CB 4.35Å; Y76-R249 HydrophobicContact CE2-CB 4.42Å; Y76-R249 HydrophobicContact CE2-CG 4.36Å; Y76-R249 HydrophobicContact CG-CB 4.25Å |
| 250 | G | 86.6 | Confident | 85.7 | Confident | 6 Ų | 6 | 46.5 Ų | 46.5 | 6% | 0.062 | 25% | 0.251 | C | S | . | . | P | Polyproline II helix | trans | -59.7 | 151.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | N242 Q248 | N242-G250 WeakPolarHBondContact O-CA 3.15Å; Q248-G250 PolarHBondContact O-N 3.34Å |
| 251 | E | 90.2 | Very high | 85.6 | Confident | 73 Ų | 73 | 50.5 Ų | 50.5 | 34% | 0.341 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 134.1 | 172 | -65.6 | 175.8 | 168.8 | 0 | 0 | 109.7 | C241 N242 W253 V269 R270 | C241-E251 WeakPolarHBondContact CA-O 3.21Å; N242-E251 PolarHBondContact N-O 2.9Å; E251-W253 WeakPolarHBondContact O-CZ3 3.07Å; E251-V269 CarbonylContact C-O 3.57Å; E251-V269 WeakPolarHBondContact CA-O 3.3Å; E251-R270 HydrophobicContact CG-CG 3.95Å; E251-R270 IonicContact OE1-NH2 3.6Å |
| 252 | C | 91.9 | Very high | 85.5 | Confident | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.014 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 148.3 | 178.5 | -60.8 | 0 | 0 | 0 | 0 | 110.4 | K239 Q240 C241 V269 G271 P273 | K239-C252 HydrophobicContact CD-CB 4.48Å; K239-C252 HydrophobicContact CG-CB 4.36Å; Q240-C252 CarbonylContact O-C 3.51Å; Q240-C252 WeakPolarHBondContact O-CA 3.36Å; Q240-C252 WeakPolarHBondContact O-CB 3.26Å; C241-C252 HydrophobicContact CB-CB 4.1Å; C241-C252 WeakPolarHBondContact CB-SG 3.38Å; C241-C252 WeakPolarHBondContact SG-CB 3.33Å; C241-C252 CovalentContact SG-SG 2.04Å; C241-C252 PolarHBondContact SG-SG 3.25Å; C252-V269 PolarHBondContact N-O 2.91Å; C252-V269 PolarHBondContact O-N 3.42Å; C252-G271 VanDerWaalsContact CB-O 3.27Å; C252-G271 WeakPolarHBondContact CB-O 3.37Å; C252-G271 PolarHBondContact SG-O 2.86Å; C252-P273 HydrophobicContact CB-CG 4.11Å |
| 253 | W | 92 | Very high | 85.4 | Confident | 39 Ų | 39 | 50 Ų | 50 | 15% | 0.148 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 168.9 | 178.5 | 60.4 | 94.9 | 0 | 0 | 0 | 111.1 | Q240 N242 E251 V255 Q262 R268 | Q240-W253 HydrophobicContact CB-CD2 4.32Å; Q240-W253 HydrophobicContact CB-CZ2 3.85Å; Q240-W253 PolarHBondContact N-O 2.92Å; Q240-W253 PolarHBondContact O-N 3.37Å; N242-W253 VanDerWaalsContact OD1-CH2 3.32Å; N242-W253 WeakPolarHBondContact OD1-CH2 3.47Å; E251-W253 WeakPolarHBondContact O-CZ3 3.07Å; W253-V255 VanDerWaalsContact CD1-CG1 3.42Å; W253-V255 VanDerWaalsContact NE1-CG1 3.32Å; W253-Q262 HydrophobicContact CG-CG 4.49Å; W253-R268 HydrophobicContact CB-CG 3.84Å; W253-R268 HydrophobicContact CG-CG 4.46Å |
| 254 | C | 92.6 | Very high | 85.1 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 137.3 | 178.5 | -50.4 | 0 | 0 | 0 | 0 | 111.1 | L238 Q262 I263 T266 C275 | L238-C254 CarbonylContact O-C 3.54Å; L238-C254 WeakPolarHBondContact O-CA 3.38Å; C254-Q262 WeakPolarHBondContact O-CA 3.27Å; C254-I263 HydrophobicContact CB-CD1 3.98Å; C254-I263 PolarHBondContact O-N 2.91Å; C254-T266 HydrophobicContact CB-CG2 3.84Å; C254-C275 WeakPolarHBondContact CA-SG 3.3Å; C254-C275 HydrophobicContact CB-CB 3.83Å; C254-C275 WeakPolarHBondContact CB-SG 3.38Å; C254-C275 WeakPolarHBondContact SG-CA 3.47Å; C254-C275 WeakPolarHBondContact SG-CB 3.37Å; C254-C275 CovalentContact SG-SG 2.03Å; C254-C275 PolarHBondContact SG-SG 3.13Å |
| 255 | V | 91.4 | Very high | 84.9 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 31% | 0.311 | C | S | . | . | B | Isolated β-bridge | trans | -127 | 157.5 | 178.6 | -56.8 | 0 | 0 | 0 | 0 | 110.9 | N237 L238 Q240 W253 G260 V261 | N237-V255 WeakPolarHBondContact O-CG2 3.33Å; L238-V255 VanDerWaalsContact CD1-O 3.32Å; L238-V255 WeakPolarHBondContact CD1-O 3.5Å; L238-V255 PolarHBondContact O-N 2.94Å; Q240-V255 HydrophobicContact CB-CG1 4.14Å; Q240-V255 HydrophobicContact CG-CB 4.18Å; Q240-V255 HydrophobicContact CG-CG1 3.58Å; Q240-V255 HydrophobicContact CG-CG2 3.47Å; Q240-V255 VanDerWaalsContact CG-CG2 3.47Å; W253-V255 VanDerWaalsContact CD1-CG1 3.42Å; W253-V255 VanDerWaalsContact NE1-CG1 3.32Å; V255-G260 WeakPolarHBondContact CB-O 3.39Å; V255-G260 WeakPolarHBondContact CG1-O 3.29Å; V255-V261 CarbonylContact C-O 3.15Å; V255-V261 VanDerWaalsContact CA-O 3.22Å; V255-V261 WeakPolarHBondContact CA-O 3.36Å; V255-V261 WeakPolarHBondContact CB-O 3.28Å |
| 256 | D | 89.1 | Confident | 85.1 | Confident | 49 Ų | 49 | 56 Ų | 56 | 26% | 0.262 | 30% | 0.296 | S | S | . | . | trans | -69.2 | 126.7 | 169.3 | 175 | -5.5 | 0 | 0 | 0 | 110.3 | L258 T259 G260 V261 | D256-L258 PolarHBondContact O-N 3.21Å; D256-L258 VanDerWaalsContact O-N 3.17Å; D256-L258 PolarHBondContact OD1-N 2.93Å; D256-T259 WeakPolarHBondContact CB-OG1 3.3Å; D256-T259 PolarHBondContact O-N 3.27Å; D256-T259 PolarHBondContact OD2-OG1 2.96Å; D256-G260 WeakPolarHBondContact O-CA 3.4Å; D256-G260 PolarHBondContact O-N 2.87Å; D256-V261 PolarHBondContact N-O 3.44Å | ||
| 257 | P | 88.9 | Confident | 85.7 | Confident | 36 Ų | 36 | 53.2 Ų | 53.2 | 23% | 0.234 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -26.2 | -179.7 | -26.3 | 35.9 | 0 | 0 | 0 | 115.5 | Y236 L238 | Y236-P257 PolarHBondContact N-O 3.49Å; Y236-P257 WeakPolarHBondContact O-CA 3.29Å; Y236-P257 WeakPolarHBondContact O-CB 3.42Å; L238-P257 HydrophobicContact CD1-CG 3.9Å |
| 258 | L | 85.2 | Confident | 86.5 | Confident | 128 Ų | 128 | 59.6 Ų | 59.6 | 67% | 0.67 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | -40.8 | -179.9 | -88.8 | 72.3 | 0 | 0 | 0 | 112.4 | D256 | D256-L258 PolarHBondContact O-N 3.21Å; D256-L258 VanDerWaalsContact O-N 3.17Å; D256-L258 PolarHBondContact OD1-N 2.93Å |
| 259 | T | 85.5 | Confident | 87 | Confident | 77 Ų | 77 | 58 Ų | 58 | 47% | 0.472 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.2 | -18.9 | -170.3 | 62.5 | 0 | 0 | 0 | 0 | 113.7 | D256 V261 | D256-T259 WeakPolarHBondContact CB-OG1 3.3Å; D256-T259 PolarHBondContact O-N 3.27Å; D256-T259 PolarHBondContact OD2-OG1 2.96Å; T259-V261 PolarHBondContact O-N 3.07Å; T259-V261 PolarHBondContact OG1-N 3.45Å |
| 260 | G | 86.6 | Confident | 87 | Confident | 21 Ų | 21 | 63 Ų | 63 | 22% | 0.216 | 33% | 0.326 | C | S | . | . | trans | 70.7 | 2.2 | -173 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y236 V255 D256 | Y236-G260 VanDerWaalsContact CD2-CA 3.49Å; Y236-G260 VanDerWaalsContact CD2-N 3.34Å; Y236-G260 VanDerWaalsContact CG-CA 3.5Å; V255-G260 WeakPolarHBondContact CB-O 3.39Å; V255-G260 WeakPolarHBondContact CG1-O 3.29Å; D256-G260 WeakPolarHBondContact O-CA 3.4Å; D256-G260 PolarHBondContact O-N 2.87Å | ||
| 261 | V | 88.9 | Confident | 86.8 | Confident | 94 Ų | 94 | 63.1 Ų | 63.1 | 57% | 0.57 | 33% | 0.328 | S | S | * | . | P | Polyproline II helix | trans | -78.3 | 138.3 | -178.5 | 178.6 | 0 | 0 | 0 | 0 | 110.1 | V255 D256 T259 I263 | V255-V261 CarbonylContact C-O 3.15Å; V255-V261 VanDerWaalsContact CA-O 3.22Å; V255-V261 WeakPolarHBondContact CA-O 3.36Å; V255-V261 WeakPolarHBondContact CB-O 3.28Å; D256-V261 PolarHBondContact N-O 3.44Å; T259-V261 PolarHBondContact O-N 3.07Å; T259-V261 PolarHBondContact OG1-N 3.45Å; V261-I263 PolarHBondContact O-N 2.96Å |
| 262 | Q | 89.3 | Confident | 86.5 | Confident | 63 Ų | 63 | 63.3 Ų | 63.3 | 29% | 0.294 | 33% | 0.331 | S | S | . | . | B | Isolated β-bridge | trans | -59.2 | 130.1 | 177.7 | -176.8 | 177.1 | -7.2 | 0 | 0 | 111.1 | W253 C254 T266 | W253-Q262 HydrophobicContact CG-CG 4.49Å; C254-Q262 WeakPolarHBondContact O-CA 3.27Å; Q262-T266 PolarHBondContact NE2-O 3.49Å |
| 263 | I | 86.6 | Confident | 86.2 | Confident | 12 Ų | 12 | 63.7 Ų | 63.7 | 6% | 0.062 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -70.4 | 124.6 | 178.3 | -57.6 | 165.6 | 0 | 0 | 0 | 108 | L238 C254 V261 T266 L282 | L238-I263 HydrophobicContact CD1-CD1 4.25Å; C254-I263 HydrophobicContact CB-CD1 3.98Å; C254-I263 PolarHBondContact O-N 2.91Å; V261-I263 PolarHBondContact O-N 2.96Å; I263-T266 HydrophobicContact CB-CG2 3.86Å; I263-T266 HydrophobicContact CG2-CG2 3.99Å; I263-T266 PolarHBondContact O-N 3.42Å; I263-T266 PolarHBondContact O-OG1 2.77Å; I263-L282 HydrophobicContact CD1-CD1 3.41Å; I263-L282 VanDerWaalsContact CD1-CD1 3.41Å; I263-L282 HydrophobicContact CG1-CD1 3.83Å; I263-L282 HydrophobicContact CG2-CD1 4.27Å; I263-L282 HydrophobicContact CG2-CD2 4.49Å |
| 264 | P | 77 | Confident | 85.8 | Confident | 105 Ų | 105 | 66.5 Ų | 66.5 | 68% | 0.682 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | 146.8 | 176 | 25.8 | -33 | 0 | 0 | 0 | 109.4 | T266 | P264-T266 VanDerWaalsContact C-N 3.3Å; P264-T266 PolarHBondContact O-N 2.82Å |
| 265 | E | 78.6 | Confident | 85.4 | Confident | 185 Ų | 185 | 66.8 Ų | 66.8 | 86% | 0.864 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79 | -11.2 | -175.8 | -47.2 | 178.4 | 169.9 | 0 | 0 | 116.5 | ||
| 266 | T | 81.1 | Confident | 84.9 | Confident | 7 Ų | 7 | 72.8 Ų | 72.8 | 4% | 0.043 | 39% | 0.385 | C | S | . | . | trans | -83.1 | 125.9 | 176.8 | 65 | 0 | 0 | 0 | 0 | 112 | C254 Q262 I263 P264 F278 | C254-T266 HydrophobicContact CB-CG2 3.84Å; Q262-T266 PolarHBondContact NE2-O 3.49Å; I263-T266 HydrophobicContact CB-CG2 3.86Å; I263-T266 HydrophobicContact CG2-CG2 3.99Å; I263-T266 PolarHBondContact O-N 3.42Å; I263-T266 PolarHBondContact O-OG1 2.77Å; P264-T266 VanDerWaalsContact C-N 3.3Å; P264-T266 PolarHBondContact O-N 2.82Å; T266-F278 HydrophobicContact CG2-CB 4.18Å; T266-F278 HydrophobicContact CG2-CD1 3.64Å; T266-F278 HydrophobicContact CG2-CD2 3.69Å; T266-F278 HydrophobicContact CG2-CE1 3.85Å; T266-F278 HydrophobicContact CG2-CE2 3.9Å; T266-F278 HydrophobicContact CG2-CG 3.55Å; T266-F278 HydrophobicContact CG2-CZ 3.97Å | ||
| 267 | P | 83.6 | Confident | 84.2 | Confident | 69 Ų | 69 | 77 Ų | 77 | 45% | 0.448 | 40% | 0.403 | S | S | . | . | trans | -73 | 144.3 | -178.9 | 30 | -34.5 | 0 | 0 | 0 | 111.3 | V269 | P267-V269 HydrophobicContact CB-CG1 3.97Å; P267-V269 HydrophobicContact CG-CG1 4.11Å | ||
| 268 | R | 89.1 | Confident | 83.2 | Confident | 141 Ų | 141 | 77.9 Ų | 77.9 | 53% | 0.532 | 40% | 0.403 | S | S | . | . | trans | -81.2 | 115.6 | 163.8 | -79.8 | 174.4 | -176.4 | -148.3 | 2.7 | 108.2 | W253 | W253-R268 HydrophobicContact CB-CG 3.84Å; W253-R268 HydrophobicContact CG-CG 4.46Å | ||
| 269 | V | 89.1 | Confident | 82.1 | Confident | 49 Ų | 49 | 75.1 Ų | 75.1 | 30% | 0.297 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 150.2 | -178 | -56.6 | 0 | 0 | 0 | 0 | 110.9 | E251 C252 P267 G271 P273 | E251-V269 CarbonylContact C-O 3.57Å; E251-V269 WeakPolarHBondContact CA-O 3.3Å; C252-V269 PolarHBondContact N-O 2.91Å; C252-V269 PolarHBondContact O-N 3.42Å; P267-V269 HydrophobicContact CB-CG1 3.97Å; P267-V269 HydrophobicContact CG-CG1 4.11Å; V269-G271 PolarHBondContact O-N 3.43Å; V269-P273 HydrophobicContact CG2-CB 3.84Å |
| 270 | R | 84.6 | Confident | 80.8 | Confident | 166 Ų | 166 | 78.9 Ų | 78.9 | 63% | 0.626 | 40% | 0.399 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 103.9 | 167.8 | -71.8 | -168.2 | 175.6 | 101.4 | 6.4 | 108.8 | E251 | E251-R270 HydrophobicContact CG-CG 3.95Å; E251-R270 IonicContact OE1-NH2 3.6Å |
| 271 | G | 81 | Confident | 79.3 | Confident | 10 Ų | 10 | 81.3 Ų | 81.3 | 10% | 0.103 | 42% | 0.417 | C | S | . | . | S | Bend | trans | 133.1 | -143.3 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | C252 V269 P273 | C252-G271 VanDerWaalsContact CB-O 3.27Å; C252-G271 WeakPolarHBondContact CB-O 3.37Å; C252-G271 PolarHBondContact SG-O 2.86Å; V269-G271 PolarHBondContact O-N 3.43Å; G271-P273 WeakPolarHBondContact O-CD 3.38Å |
| 272 | D | 83.6 | Confident | 77.7 | Confident | 76 Ų | 76 | 81.3 Ų | 81.3 | 41% | 0.406 | 41% | 0.413 | S | S | . | . | trans | -96.9 | 115.8 | 174.4 | -153.3 | -32.4 | 0 | 0 | 0 | 110.4 | K239 N274 | K239-D272 IonicContact NZ-OD1 2.82Å; K239-D272 PolarHBondContact NZ-OD1 3.2Å; K239-D272 IonicContact NZ-OD2 3.73Å; K239-D272 PolarHBondContact NZ-OD2 2.9Å; D272-N274 PolarHBondContact O-N 3.37Å; D272-N274 PolarHBondContact OD1-N 3.17Å; D272-N274 VanDerWaalsContact OD1-N 3.09Å | ||
| 273 | P | 85.3 | Confident | 76.1 | Confident | 10 Ų | 10 | 87.2 Ų | 87.2 | 7% | 0.065 | 43% | 0.433 | C | S | . | . | trans | -72.8 | 0.3 | 173.7 | 27.3 | -34.4 | 0 | 0 | 0 | 114.2 | K239 C252 V269 G271 C275 | K239-P273 HydrophobicContact CD-CG 4.17Å; K239-P273 HydrophobicContact CG-CG 4.19Å; C252-P273 HydrophobicContact CB-CG 4.11Å; V269-P273 HydrophobicContact CG2-CB 3.84Å; G271-P273 WeakPolarHBondContact O-CD 3.38Å; P273-C275 VanDerWaalsContact CG-SG 3.54Å | ||
| 274 | N | 84.2 | Confident | 73.9 | Confident | 99 Ų | 99 | 89.8 Ų | 89.8 | 53% | 0.529 | 46% | 0.456 | S | S | . | . | trans | 55.4 | 52.4 | -178.4 | -61.8 | -45.4 | 0 | 0 | 0 | 112.9 | D272 N276 H277 | D272-N274 PolarHBondContact O-N 3.37Å; D272-N274 PolarHBondContact OD1-N 3.17Å; D272-N274 VanDerWaalsContact OD1-N 3.09Å; N274-N276 PolarHBondContact O-N 2.99Å; N274-H277 PolarHBondContact O-N 2.64Å | ||
| 275 | C | 84.7 | Confident | 72.3 | Confident | 5 Ų | 5 | 89.4 Ų | 89.4 | 3% | 0.034 | 45% | 0.454 | C | S | . | . | G | 310 helix | trans | -61.8 | -19.2 | -173.6 | -61.9 | 0 | 0 | 0 | 0 | 115.2 | L238 C254 P273 H277 F278 | L238-C275 HydrophobicContact CB-CB 4.49Å; L238-C275 HydrophobicContact CD2-CB 3.5Å; L238-C275 VanDerWaalsContact CD2-CB 3.5Å; L238-C275 WeakPolarHBondContact CD2-O 3.37Å; L238-C275 HydrophobicContact CG-CB 3.74Å; C254-C275 WeakPolarHBondContact CA-SG 3.3Å; C254-C275 HydrophobicContact CB-CB 3.83Å; C254-C275 WeakPolarHBondContact CB-SG 3.38Å; C254-C275 WeakPolarHBondContact SG-CA 3.47Å; C254-C275 WeakPolarHBondContact SG-CB 3.37Å; C254-C275 CovalentContact SG-SG 2.03Å; C254-C275 PolarHBondContact SG-SG 3.13Å; P273-C275 VanDerWaalsContact CG-SG 3.54Å; C275-H277 PolarHBondContact O-N 2.72Å; C275-H277 VanDerWaalsContact O-N 3.16Å; C275-F278 PolarHBondContact O-N 2.81Å |
| 276 | N | 80.9 | Confident | 70.7 | Confident | 126 Ų | 126 | 86 Ų | 86 | 67% | 0.674 | 46% | 0.457 | S | S | * | . | G | 310 helix | trans | -57.8 | -30.9 | -178.8 | -62.5 | -17.2 | 0 | 0 | 0 | 112.9 | N274 F278 | N274-N276 PolarHBondContact O-N 2.99Å; N276-F278 VanDerWaalsContact C-N 3.29Å; N276-F278 PolarHBondContact O-N 3.37Å |
| 277 | H | 74.4 | Confident | 69 | Low | 139 Ų | 139 | 90.7 Ų | 90.7 | 64% | 0.644 | 49% | 0.486 | S | S | * | . | G | 310 helix | trans | -67.7 | -27.4 | 178.1 | -68.4 | -83.1 | 0 | 0 | 0 | 113.3 | N274 C275 | N274-H277 PolarHBondContact O-N 2.64Å; C275-H277 PolarHBondContact O-N 2.72Å; C275-H277 VanDerWaalsContact O-N 3.16Å |
| 278 | F | 66.9 | Low | 67.2 | Low | 54 Ų | 54 | 94.1 Ų | 94.1 | 24% | 0.237 | 51% | 0.506 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90 | -13.8 | -174.7 | -61.4 | -80.3 | 0 | 0 | 0 | 113.1 | T266 C275 N276 E280 A281 L282 | T266-F278 HydrophobicContact CG2-CB 4.18Å; T266-F278 HydrophobicContact CG2-CD1 3.64Å; T266-F278 HydrophobicContact CG2-CD2 3.69Å; T266-F278 HydrophobicContact CG2-CE1 3.85Å; T266-F278 HydrophobicContact CG2-CE2 3.9Å; T266-F278 HydrophobicContact CG2-CG 3.55Å; T266-F278 HydrophobicContact CG2-CZ 3.97Å; C275-F278 PolarHBondContact O-N 2.81Å; N276-F278 VanDerWaalsContact C-N 3.29Å; N276-F278 PolarHBondContact O-N 3.37Å; F278-E280 PolarHBondContact O-N 3.37Å; F278-A281 PolarHBondContact O-N 3.43Å; F278-L282 PolarHBondContact O-N 3.34Å |
| 279 | Q | 64.1 | Low | 64.9 | Low | 70 Ų | 70 | 92.9 Ų | 92.9 | 33% | 0.327 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -67.7 | -25.9 | 176.9 | -169 | 165 | -4.6 | 0 | 0 | 112.5 | L238 R283 | L238-Q279 HydrophobicContact CD2-CB 4.23Å; Q279-R283 WeakPolarHBondContact O-CG 3.5Å |
| 280 | E | 57.4 | Low | 62.7 | Low | 155 Ų | 155 | 101.2 Ų | 101.2 | 72% | 0.724 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -74.4 | -36.5 | 175.3 | -68.1 | 179.3 | 167.2 | 0 | 0 | 112 | F278 R283 A284 | F278-E280 PolarHBondContact O-N 3.37Å; E280-R283 PolarHBondContact O-N 3.14Å; E280-A284 PolarHBondContact O-N 3.17Å |
| 281 | A | 54.5 | Low | 61 | Low | 73 Ų | 73 | 100.9 Ų | 100.9 | 60% | 0.603 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -69.5 | -36.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | F278 R283 A284 | F278-A281 PolarHBondContact O-N 3.43Å; A281-R283 VanDerWaalsContact C-N 3.3Å; A281-R283 PolarHBondContact O-N 2.79Å; A281-A284 PolarHBondContact O-N 3.09Å |
| 282 | L | 56.7 | Low | 59 | Low | 93 Ų | 93 | 105.9 Ų | 105.9 | 49% | 0.487 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -74.1 | -18 | 176.7 | -73.1 | 167.2 | 0 | 0 | 0 | 113.8 | I263 F278 | I263-L282 HydrophobicContact CD1-CD1 3.41Å; I263-L282 VanDerWaalsContact CD1-CD1 3.41Å; I263-L282 HydrophobicContact CG1-CD1 3.83Å; I263-L282 HydrophobicContact CG2-CD1 4.27Å; I263-L282 HydrophobicContact CG2-CD2 4.49Å; F278-L282 PolarHBondContact O-N 3.34Å |
| 283 | R | 54.8 | Low | 57.1 | Low | 187 Ų | 187 | 114.7 Ų | 114.7 | 71% | 0.706 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | -5.9 | 175.1 | -75.9 | -179.7 | 178.9 | 167.4 | 0.8 | 113.3 | Q279 E280 A281 P285 | Q279-R283 WeakPolarHBondContact O-CG 3.5Å; E280-R283 PolarHBondContact O-N 3.14Å; A281-R283 VanDerWaalsContact C-N 3.3Å; A281-R283 PolarHBondContact O-N 2.79Å; R283-P285 VanDerWaalsContact O-CD 3.3Å; R283-P285 WeakPolarHBondContact O-CD 3.36Å |
| 284 | A | 40.6 | Very low | 55.2 | Low | 66 Ų | 66 | 125.4 Ų | 125.4 | 55% | 0.545 | 66% | 0.661 | S | S | . | * | S | Bend | trans | -71.8 | 116.6 | 172 | 0 | 0 | 0 | 0 | 0 | 109 | E280 A281 A286 | E280-A284 PolarHBondContact O-N 3.17Å; A281-A284 PolarHBondContact O-N 3.09Å; A284-A286 PolarHBondContact O-N 3.36Å |
| 285 | P | 42.8 | Very low | 53 | Low | 98 Ų | 98 | 134.1 Ų | 134.1 | 64% | 0.636 | 70% | 0.695 | S | S | * | * | trans | -63.4 | 130.1 | 174.1 | 25.8 | -31.6 | 0 | 0 | 0 | 108.5 | R283 T287 | R283-P285 VanDerWaalsContact O-CD 3.3Å; R283-P285 WeakPolarHBondContact O-CD 3.36Å; P285-T287 HydrophobicContact CB-CG2 4.44Å; P285-T287 PolarHBondContact O-N 2.97Å; P285-T287 PolarHBondContact O-OG1 2.96Å | ||
| 286 | A | 45.3 | Very low | 51.4 | Low | 113 Ų | 113 | 140.6 Ų | 140.6 | 93% | 0.934 | 73% | 0.728 | S | S | * | * | trans | -60.5 | 80.4 | 166.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | A284 | A284-A286 PolarHBondContact O-N 3.36Š| ||
| 287 | T | 46.5 | Very low | 49.8 | Very low | 105 Ų | 105 | 141.4 Ų | 141.4 | 64% | 0.644 | 73% | 0.731 | S | S | * | * | trans | -115.1 | 127.9 | 173.3 | 36.9 | 0 | 0 | 0 | 0 | 107.5 | P285 | P285-T287 HydrophobicContact CB-CG2 4.44Å; P285-T287 PolarHBondContact O-N 2.97Å; P285-T287 PolarHBondContact O-OG1 2.96Å | ||
| 288 | T | 44.2 | Very low | 48.5 | Very low | 142 Ų | 142 | 141.5 Ų | 141.5 | 87% | 0.871 | 74% | 0.736 | S | S | * | * | trans | 80 | 64 | 177.7 | 78.8 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 289 | A | 40.6 | Very low | 47.4 | Very low | 114 Ų | 114 | 146.6 Ų | 146.6 | 94% | 0.942 | 77% | 0.765 | S | S | * | * | trans | -108.7 | 66.6 | 136.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 290 | R | 42.8 | Very low | 46.3 | Very low | 225 Ų | 225 | 151.4 Ų | 151.4 | 85% | 0.849 | 79% | 0.792 | S | S | * | * | trans | -118.4 | 123.5 | 166.4 | -138.6 | -174.4 | -167.8 | -172.7 | 3.5 | 108.6 | ||||
| 291 | L | 49.7 | Very low | 45.6 | Very low | 158 Ų | 158 | 151.2 Ų | 151.2 | 83% | 0.827 | 80% | 0.797 | S | S | * | * | trans | 69.6 | 91.4 | 165.1 | -68.5 | 123.8 | 0 | 0 | 0 | 118.2 | ||||
| 292 | S | 39.1 | Very low | 45 | Very low | 115 Ų | 115 | 156.8 Ų | 156.8 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | -156.8 | 83.1 | 125.9 | -163.6 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 293 | R | 43 | Very low | 44.1 | Very low | 261 Ų | 261 | 161.7 Ų | 161.7 | 99% | 0.985 | 84% | 0.835 | S | S | * | * | trans | -110.1 | 82.4 | 148.3 | -83.5 | -171.8 | -175.2 | 176.8 | 2.4 | 106.9 | ||||
| 294 | R | 45.4 | Very low | 43.2 | Very low | 235 Ų | 235 | 159.6 Ų | 159.6 | 89% | 0.887 | 85% | 0.846 | S | S | * | * | trans | -108.2 | 105.3 | 153.8 | -87.2 | -172.8 | 177.9 | -179.6 | 0.2 | 107.2 | ||||
| 295 | K | 38.3 | Very low | 43.4 | Very low | 283 Ų | 283 | 168.1 Ų | 168.1 | 100% | 1.23 | 87% | 0.874 | S | S | * | * | trans | -167 | 0 | 134.7 | -109.2 | 177.8 | -179.2 | -178.3 | 0 | 108.2 |
Retrieved 295 of 295 residues in 69.7 ms
(Link to these results)