| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 34.2 | Very low | 51.5 | Low | 249 Ų | 249 | 133.3 Ų | 133.3 | 100% | 1.227 | 70% | 0.704 | S | S | * | * | 0 | 108.6 | 0 | -65.5 | -158.5 | -140.5 | 0 | 0 | 108.1 | |||||
| 2 | G | 40.2 | Very low | 52 | Low | 79 Ų | 79 | 129.1 Ų | 129.1 | 81% | 0.814 | 69% | 0.694 | S | S | * | * | trans | -91.5 | 125.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 3 | V | 41.9 | Very low | 52.3 | Low | 127 Ų | 127 | 127.2 Ų | 127.2 | 77% | 0.77 | 68% | 0.682 | S | S | * | * | trans | -77.9 | 123.5 | 174.9 | -176.5 | 0 | 0 | 0 | 0 | 108 | L5 | V3-L5 PolarHBondContact O-N 2.75Š| ||
| 4 | P | 51 | Low | 52.9 | Low | 110 Ų | 110 | 124.3 Ų | 124.3 | 71% | 0.714 | 67% | 0.665 | S | S | * | * | trans | -72.4 | 113.7 | 179.9 | 27.5 | -30.8 | 0 | 0 | 0 | 109.7 | T6 | P4-T6 PolarHBondContact O-N 3.16Š| ||
| 5 | L | 54.7 | Low | 53.3 | Low | 120 Ų | 120 | 121.8 Ų | 121.8 | 63% | 0.628 | 65% | 0.651 | S | S | * | * | trans | -65.5 | 117.5 | 166.6 | -97.8 | 83.4 | 0 | 0 | 0 | 108.6 | V3 | V3-L5 PolarHBondContact O-N 2.75Š| ||
| 6 | T | 62.7 | Low | 53.4 | Low | 92 Ų | 92 | 118.3 Ų | 118.3 | 56% | 0.564 | 65% | 0.645 | S | S | * | * | trans | -68.4 | 144.2 | -179.9 | 52.7 | 0 | 0 | 0 | 0 | 110.9 | P4 R8 T9 | P4-T6 PolarHBondContact O-N 3.16Å; T6-R8 PolarHBondContact O-N 3Å; T6-T9 PolarHBondContact O-N 2.79Å; T6-T9 PolarHBondContact O-OG1 3.25Å | ||
| 7 | R | 54.3 | Low | 53.8 | Low | 214 Ų | 214 | 119.2 Ų | 119.2 | 81% | 0.808 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -51.1 | -24.5 | -178.9 | -169.5 | 177 | 178 | -171.7 | 0.2 | 114.2 | L11 | R7-L11 PolarHBondContact O-N 3.01Å |
| 8 | R | 55.2 | Low | 53.9 | Low | 223 Ų | 223 | 119.2 Ų | 119.2 | 84% | 0.842 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -73.1 | -35.4 | 175.8 | -75.8 | -177.9 | 175 | 170.4 | -1.5 | 113.7 | T6 S12 | T6-R8 PolarHBondContact O-N 3Å; R8-S12 WeakPolarHBondContact O-CB 3.42Å; R8-S12 PolarHBondContact O-N 2.81Å; R8-S12 VanDerWaalsContact O-N 3.14Å |
| 9 | T | 56 | Low | 53.8 | Low | 62 Ų | 62 | 118 Ų | 118 | 38% | 0.38 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -73.1 | -36 | 177.4 | 44.4 | 0 | 0 | 0 | 0 | 111.7 | T6 S12 L13 | T6-T9 PolarHBondContact O-N 2.79Å; T6-T9 PolarHBondContact O-OG1 3.25Å; T9-S12 PolarHBondContact O-N 3.32Å; T9-L13 WeakPolarHBondContact O-CD1 3.37Å; T9-L13 PolarHBondContact O-N 3.27Å; T9-L13 VanDerWaalsContact O-N 3.07Å |
| 10 | L | 57.9 | Low | 53.5 | Low | 92 Ų | 92 | 116.7 Ų | 116.7 | 48% | 0.482 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -63 | -44.6 | 172.6 | -91.4 | 152.7 | 0 | 0 | 0 | 112.3 | S12 L13 I14 | L10-S12 PolarHBondContact O-N 2.92Å; L10-L13 PolarHBondContact O-N 3.17Å; L10-I14 WeakPolarHBondContact O-CD1 3.41Å; L10-I14 WeakPolarHBondContact O-CG1 3.39Å; L10-I14 PolarHBondContact O-N 3.24Å |
| 11 | L | 58.9 | Low | 53.2 | Low | 98 Ų | 98 | 115 Ų | 115 | 51% | 0.513 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -64.7 | -39.6 | 178.1 | -122.3 | 113.9 | 0 | 0 | 0 | 112.4 | R7 I14 L15 | R7-L11 PolarHBondContact O-N 3.01Å; L11-I14 PolarHBondContact O-N 3.41Å; L11-L15 HydrophobicContact CD2-CD1 4.03Å; L11-L15 VanDerWaalsContact O-CD1 3.32Å; L11-L15 WeakPolarHBondContact O-CD1 3.4Å; L11-L15 PolarHBondContact O-N 3.19Å |
| 12 | S | 57.3 | Low | 53.3 | Low | 83 Ų | 83 | 109.2 Ų | 109.2 | 58% | 0.58 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -64.1 | -42.1 | 177.1 | -170.5 | 0 | 0 | 0 | 0 | 112.1 | R8 T9 L10 L15 A16 | R8-S12 WeakPolarHBondContact O-CB 3.42Å; R8-S12 PolarHBondContact O-N 2.81Å; R8-S12 VanDerWaalsContact O-N 3.14Å; T9-S12 PolarHBondContact O-N 3.32Å; L10-S12 PolarHBondContact O-N 2.92Å; S12-L15 PolarHBondContact O-N 3.36Å; S12-A16 WeakPolarHBondContact O-CB 3.46Å; S12-A16 PolarHBondContact O-N 2.76Å |
| 13 | L | 55.6 | Low | 53.2 | Low | 105 Ų | 105 | 108.4 Ų | 108.4 | 55% | 0.55 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -64.5 | -39.9 | 174.7 | -105.3 | 113.2 | 0 | 0 | 0 | 112.4 | T9 L10 A16 L17 | T9-L13 WeakPolarHBondContact O-CD1 3.37Å; T9-L13 PolarHBondContact O-N 3.27Å; T9-L13 VanDerWaalsContact O-N 3.07Å; L10-L13 PolarHBondContact O-N 3.17Å; L13-A16 PolarHBondContact O-N 3.13Å; L13-L17 WeakPolarHBondContact O-CD1 3.43Å; L13-L17 WeakPolarHBondContact O-CG 3.39Å; L13-L17 PolarHBondContact O-N 3.29Å; L13-L17 VanDerWaalsContact O-N 3.07Å |
| 14 | I | 60.8 | Low | 53.1 | Low | 86 Ų | 86 | 106.2 Ų | 106.2 | 44% | 0.441 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -68.3 | -41.3 | 179.5 | -67.9 | 164.1 | 0 | 0 | 0 | 110.8 | L10 L11 L17 L18 | L10-I14 WeakPolarHBondContact O-CD1 3.41Å; L10-I14 WeakPolarHBondContact O-CG1 3.39Å; L10-I14 PolarHBondContact O-N 3.24Å; L11-I14 PolarHBondContact O-N 3.41Å; I14-L17 PolarHBondContact O-N 2.9Å; I14-L18 HydrophobicContact CG2-CD1 3.61Å; I14-L18 HydrophobicContact CG2-CG 4.32Å; I14-L18 WeakPolarHBondContact O-CB 3.45Å; I14-L18 VanDerWaalsContact O-CG 3.24Å; I14-L18 WeakPolarHBondContact O-CG 3.24Å; I14-L18 PolarHBondContact O-N 2.82Å |
| 15 | L | 58.6 | Low | 52.4 | Low | 87 Ų | 87 | 108.1 Ų | 108.1 | 46% | 0.455 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -65 | -37.6 | 173.5 | -94.4 | 108.8 | 0 | 0 | 0 | 112.6 | L11 S12 L17 L18 F19 | L11-L15 HydrophobicContact CD2-CD1 4.03Å; L11-L15 VanDerWaalsContact O-CD1 3.32Å; L11-L15 WeakPolarHBondContact O-CD1 3.4Å; L11-L15 PolarHBondContact O-N 3.19Å; S12-L15 PolarHBondContact O-N 3.36Å; L15-L17 VanDerWaalsContact C-N 3.29Å; L15-L17 PolarHBondContact O-N 2.87Å; L15-L18 PolarHBondContact O-N 2.92Å; L15-F19 HydrophobicContact CD2-CD2 4.32Å; L15-F19 HydrophobicContact CD2-CE2 4.17Å; L15-F19 HydrophobicContact CG-CE2 4.47Å; L15-F19 WeakPolarHBondContact O-CD2 3.5Å; L15-F19 PolarHBondContact O-N 3.31Å; L15-F19 VanDerWaalsContact O-N 3.11Å |
| 16 | A | 55.8 | Low | 51.5 | Low | 66 Ų | 66 | 106.5 Ų | 106.5 | 55% | 0.545 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -65.1 | -32.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | S12 L13 | S12-A16 WeakPolarHBondContact O-CB 3.46Å; S12-A16 PolarHBondContact O-N 2.76Å; L13-A16 PolarHBondContact O-N 3.13Å |
| 17 | L | 59.3 | Low | 50.5 | Low | 134 Ų | 134 | 105.8 Ų | 105.8 | 70% | 0.702 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -78.9 | -32.2 | 176.5 | -75.6 | 161.9 | 0 | 0 | 0 | 113.2 | L13 I14 L15 | L13-L17 WeakPolarHBondContact O-CD1 3.43Å; L13-L17 WeakPolarHBondContact O-CG 3.39Å; L13-L17 PolarHBondContact O-N 3.29Å; L13-L17 VanDerWaalsContact O-N 3.07Å; I14-L17 PolarHBondContact O-N 2.9Å; L15-L17 VanDerWaalsContact C-N 3.29Å; L15-L17 PolarHBondContact O-N 2.87Å |
| 18 | L | 56.4 | Low | 50.2 | Low | 118 Ų | 118 | 100 Ų | 100 | 62% | 0.618 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -83.6 | -20.2 | -178.3 | -68.8 | 170.6 | 0 | 0 | 0 | 113.5 | I14 L15 P20 | I14-L18 HydrophobicContact CG2-CD1 3.61Å; I14-L18 HydrophobicContact CG2-CG 4.32Å; I14-L18 WeakPolarHBondContact O-CB 3.45Å; I14-L18 VanDerWaalsContact O-CG 3.24Å; I14-L18 WeakPolarHBondContact O-CG 3.24Å; I14-L18 PolarHBondContact O-N 2.82Å; L15-L18 PolarHBondContact O-N 2.92Å; L18-P20 VanDerWaalsContact C-CD 3.44Å |
| 19 | F | 52.2 | Low | 50.2 | Low | 97 Ų | 97 | 92 Ų | 92 | 43% | 0.425 | 56% | 0.556 | S | S | . | * | trans | -126 | 66.1 | 178.2 | -58 | -77.7 | 0 | 0 | 0 | 112.8 | L15 S21 M22 | L15-F19 HydrophobicContact CD2-CD2 4.32Å; L15-F19 HydrophobicContact CD2-CE2 4.17Å; L15-F19 HydrophobicContact CG-CE2 4.47Å; L15-F19 WeakPolarHBondContact O-CD2 3.5Å; L15-F19 PolarHBondContact O-N 3.31Å; L15-F19 VanDerWaalsContact O-N 3.11Å; F19-S21 PolarHBondContact O-N 3.34Å; F19-M22 HydrophobicContact CB-CB 4.48Å; F19-M22 HydrophobicContact CB-CE 4.31Å; F19-M22 HydrophobicContact CG-CE 4.26Å; F19-M22 PolarHBondContact O-N 2.93Å | ||
| 20 | P | 47.9 | Very low | 51.2 | Low | 92 Ų | 92 | 95 Ų | 95 | 60% | 0.597 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -60.8 | -16.8 | 174.7 | 23.3 | -31.6 | 0 | 0 | 0 | 113.2 | L18 S24 | L18-P20 VanDerWaalsContact C-CD 3.44Å; P20-S24 PolarHBondContact O-OG 3.22Å |
| 21 | S | 45.4 | Very low | 52.4 | Low | 82 Ų | 82 | 92.9 Ų | 92.9 | 57% | 0.573 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -72.8 | -19.7 | 173.7 | 53.6 | 0 | 0 | 0 | 0 | 114.6 | F19 S24 | F19-S21 PolarHBondContact O-N 3.34Å; S21-S24 PolarHBondContact O-OG 3Å |
| 22 | M | 36.9 | Very low | 53.2 | Low | 127 Ų | 127 | 90 Ų | 90 | 63% | 0.626 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -90.2 | -27.8 | 173.6 | -75.7 | -150.5 | -97.8 | 0 | 0 | 112.6 | F19 S24 M25 A26 | F19-M22 HydrophobicContact CB-CB 4.48Å; F19-M22 HydrophobicContact CB-CE 4.31Å; F19-M22 HydrophobicContact CG-CE 4.26Å; F19-M22 PolarHBondContact O-N 2.93Å; M22-S24 PolarHBondContact O-N 3.15Å; M22-M25 PolarHBondContact O-N 3.29Å; M22-A26 PolarHBondContact O-N 3.47Å |
| 23 | A | 38.9 | Very low | 54.2 | Low | 62 Ų | 62 | 95 Ų | 95 | 51% | 0.512 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -64.7 | -24.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | A26 | A23-A26 PolarHBondContact O-N 2.88Å |
| 24 | S | 38.6 | Very low | 55.7 | Low | 81 Ų | 81 | 95.7 Ų | 95.7 | 57% | 0.566 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.5 | -16.3 | 176.8 | 29.1 | 0 | 0 | 0 | 0 | 113.9 | P20 S21 M22 | P20-S24 PolarHBondContact O-OG 3.22Å; S21-S24 PolarHBondContact O-OG 3Å; M22-S24 PolarHBondContact O-N 3.15Å |
| 25 | M | 37.9 | Very low | 57.2 | Low | 149 Ų | 149 | 94.2 Ų | 94.2 | 73% | 0.734 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.3 | -26 | 169.5 | -70.1 | -156.3 | 179.3 | 0 | 0 | 112.9 | M22 A27 M28 | M22-M25 PolarHBondContact O-N 3.29Å; M25-A27 VanDerWaalsContact C-N 3.28Å; M25-A27 PolarHBondContact O-N 3.36Å; M25-M28 PolarHBondContact O-N 2.99Å |
| 26 | A | 35.6 | Very low | 58.8 | Low | 87 Ų | 87 | 96.9 Ų | 96.9 | 72% | 0.719 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.6 | -12.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | M22 A23 | M22-A26 PolarHBondContact O-N 3.47Å; A23-A26 PolarHBondContact O-N 2.88Å |
| 27 | A | 41.9 | Very low | 60.5 | Low | 77 Ų | 77 | 98.1 Ų | 98.1 | 64% | 0.636 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.9 | 8.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | M25 G29 | M25-A27 VanDerWaalsContact C-N 3.28Å; M25-A27 PolarHBondContact O-N 3.36Å; A27-G29 PolarHBondContact O-N 3.48Å |
| 28 | M | 46.5 | Very low | 62.2 | Low | 93 Ų | 93 | 91.8 Ų | 91.8 | 46% | 0.458 | 53% | 0.527 | S | S | . | . | S | Bend | trans | -81 | 102.7 | 165.1 | -67.4 | -171.1 | -167.4 | 0 | 0 | 107.6 | M25 Y151 | M25-M28 PolarHBondContact O-N 2.99Å; M28-Y151 HydrophobicContact CE-CE1 4.49Å; M28-Y151 HydrophobicContact SD-CD1 4.15Å; M28-Y151 HydrophobicContact SD-CE1 3.56Å; M28-Y151 VanDerWaalsContact SD-CE1 3.56Å |
| 29 | G | 56.7 | Low | 64.1 | Low | 54 Ų | 54 | 86.4 Ų | 86.4 | 56% | 0.557 | 50% | 0.499 | S | S | * | . | P | Polyproline II helix | trans | -48.7 | 146.5 | 164.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | A27 C31 | A27-G29 PolarHBondContact O-N 3.48Å; G29-C31 PolarHBondContact O-N 3.35Å |
| 30 | S | 75.8 | Confident | 66.2 | Low | 124 Ų | 124 | 83.2 Ų | 83.2 | 87% | 0.867 | 49% | 0.493 | S | S | * | . | P | Polyproline II helix | trans | -56.9 | 126.5 | -177.9 | 54.8 | 0 | 0 | 0 | 0 | 110.5 | S32 | S30-S32 PolarHBondContact O-N 2.77Š|
| 31 | C | 83.6 | Confident | 68.5 | Low | 49 Ų | 49 | 82.6 Ų | 82.6 | 33% | 0.331 | 48% | 0.482 | S | S | . | . | P | Polyproline II helix | trans | -69.3 | 125.3 | 176.5 | -71.6 | 0 | 0 | 0 | 0 | 109.9 | G29 K33 C152 | G29-C31 PolarHBondContact O-N 3.35Å; C31-K33 PolarHBondContact O-N 3.48Å; C31-C152 WeakPolarHBondContact CA-SG 3.18Å; C31-C152 HydrophobicContact CB-CB 3.61Å; C31-C152 WeakPolarHBondContact CB-SG 3.43Å; C31-C152 WeakPolarHBondContact SG-CA 3.3Å; C31-C152 WeakPolarHBondContact SG-CB 3.33Å; C31-C152 CovalentContact SG-SG 2.04Å; C31-C152 PolarHBondContact SG-SG 3.4Å |
| 32 | S | 76.2 | Confident | 70.9 | Confident | 37 Ų | 37 | 78.7 Ų | 78.7 | 26% | 0.259 | 46% | 0.455 | S | S | . | . | P | Polyproline II helix | trans | -60.9 | 135.5 | 167 | 178.4 | 0 | 0 | 0 | 0 | 109.5 | S30 E34 | S30-S32 PolarHBondContact O-N 2.77Å; S32-E34 VanDerWaalsContact C-N 3.27Å; S32-E34 PolarHBondContact OG-N 3.23Å |
| 33 | K | 76.8 | Confident | 73.8 | Confident | 189 Ų | 189 | 75.1 Ų | 75.1 | 82% | 0.822 | 44% | 0.437 | S | S | * | . | S | Bend | trans | -83.8 | -4.5 | 178 | -64.7 | -176.4 | -179.7 | -179.5 | 0 | 112.9 | C31 L156 | C31-K33 PolarHBondContact O-N 3.48Å; K33-L156 WeakPolarHBondContact O-CD2 3.35Å |
| 34 | E | 88.8 | Confident | 76.6 | Confident | 119 Ų | 119 | 79.2 Ų | 79.2 | 56% | 0.556 | 44% | 0.443 | S | S | * | . | trans | -94.5 | 106.2 | -174.6 | -69.1 | -176 | -160.1 | 0 | 0 | 112 | S32 R36 M37 L38 | S32-E34 VanDerWaalsContact C-N 3.27Å; S32-E34 PolarHBondContact OG-N 3.23Å; E34-R36 VanDerWaalsContact C-N 3.3Å; E34-R36 PolarHBondContact O-N 3.32Å; E34-M37 HydrophobicContact CB-CB 3.92Å; E34-M37 PolarHBondContact O-N 3.27Å; E34-M37 WeakPolarHBondContact OE2-CE 3.02Å; E34-L38 PolarHBondContact O-N 2.71Å | ||
| 35 | Y | 91.1 | Very high | 79.4 | Confident | 54 Ų | 54 | 77.8 Ų | 77.8 | 21% | 0.212 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -50.9 | -45.9 | -179.8 | 175.4 | -92.3 | 0 | 0 | 0 | 113.4 | L38 L39 M153 L157 W212 | Y35-L38 PolarHBondContact O-N 3Å; Y35-L39 HydrophobicContact CE1-CD2 3.89Å; Y35-L39 VanDerWaalsContact O-CB 3.25Å; Y35-L39 WeakPolarHBondContact O-CB 3.26Å; Y35-L39 PolarHBondContact O-N 2.91Å; Y35-M153 HydrophobicContact CD2-CE 4.01Å; Y35-M153 HydrophobicContact CD2-SD 3.57Å; Y35-M153 VanDerWaalsContact CD2-SD 3.57Å; Y35-M153 HydrophobicContact CE2-CE 4.03Å; Y35-M153 HydrophobicContact CE2-SD 3.55Å; Y35-M153 VanDerWaalsContact CE2-SD 3.55Å; Y35-L157 HydrophobicContact CE2-CD2 4.24Å; Y35-W212 PolarHBondContact OH-O 3.49Å |
| 36 | R | 92.4 | Very high | 82.2 | Confident | 143 Ų | 143 | 70.7 Ų | 70.7 | 54% | 0.54 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -68.2 | -39.8 | -176.2 | -69.9 | -68.8 | -179.4 | 175.1 | -4.9 | 112.3 | E34 G40 G213 | E34-R36 VanDerWaalsContact C-N 3.3Å; E34-R36 PolarHBondContact O-N 3.32Å; R36-G40 PolarHBondContact O-N 3.35Å; R36-G213 PolarHBondContact NH1-O 3.49Å |
| 37 | M | 92.7 | Very high | 85.1 | Confident | 93 Ų | 93 | 70.6 Ų | 70.6 | 46% | 0.458 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -64.6 | -48.8 | 176.7 | -175.7 | -174.3 | -69.4 | 0 | 0 | 110.5 | E34 L39 G40 Q41 | E34-M37 HydrophobicContact CB-CB 3.92Å; E34-M37 PolarHBondContact O-N 3.27Å; E34-M37 WeakPolarHBondContact OE2-CE 3.02Å; M37-L39 PolarHBondContact O-N 3.35Å; M37-G40 PolarHBondContact O-N 3.09Å; M37-Q41 WeakPolarHBondContact O-CG 3.23Å; M37-Q41 PolarHBondContact O-N 2.85Å |
| 38 | L | 94.7 | Very high | 87.6 | Confident | 1 Ų | 1 | 71 Ų | 71 | 1% | 0.005 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -66 | -38.9 | -179.6 | -173.6 | 61.2 | 0 | 0 | 0 | 112.3 | E34 Y35 G40 Q41 L42 N149 C152 M153 L156 | E34-L38 PolarHBondContact O-N 2.71Å; Y35-L38 PolarHBondContact O-N 3Å; L38-G40 VanDerWaalsContact C-N 3.32Å; L38-G40 PolarHBondContact O-N 3.07Å; L38-Q41 WeakPolarHBondContact O-CB 3.37Å; L38-Q41 PolarHBondContact O-N 3.09Å; L38-L42 WeakPolarHBondContact O-CG 3.36Å; L38-L42 PolarHBondContact O-N 3.35Å; L38-N149 HydrophobicContact CD1-CB 3.94Å; L38-C152 HydrophobicContact CD1-CB 4.37Å; L38-C152 HydrophobicContact CD2-CB 3.64Å; L38-M153 HydrophobicContact CB-CE 3.99Å; L38-M153 HydrophobicContact CD2-CB 3.8Å; L38-M153 HydrophobicContact CD2-CE 4.06Å; L38-M153 VanDerWaalsContact CD2-N 3.31Å; L38-M153 HydrophobicContact CD2-SD 4.48Å; L38-M153 HydrophobicContact CG-CB 4.45Å; L38-M153 HydrophobicContact CG-CE 3.92Å; L38-L156 HydrophobicContact CD2-CD1 3.85Å |
| 39 | L | 95.9 | Very high | 90.1 | Very high | 4 Ų | 4 | 67.1 Ų | 67.1 | 2% | 0.021 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -61.6 | -41.2 | 173.4 | 179.4 | 60.7 | 0 | 0 | 0 | 111.4 | Y35 M37 Q41 L42 Q43 M153 F209 W212 | Y35-L39 HydrophobicContact CE1-CD2 3.89Å; Y35-L39 VanDerWaalsContact O-CB 3.25Å; Y35-L39 WeakPolarHBondContact O-CB 3.26Å; Y35-L39 PolarHBondContact O-N 2.91Å; M37-L39 PolarHBondContact O-N 3.35Å; L39-Q41 VanDerWaalsContact C-N 3.33Å; L39-Q41 PolarHBondContact O-N 3.28Å; L39-L42 PolarHBondContact O-N 3.12Å; L39-Q43 HydrophobicContact CD1-CG 4.32Å; L39-Q43 HydrophobicContact CG-CG 4.49Å; L39-Q43 WeakPolarHBondContact O-CB 2.9Å; L39-Q43 VanDerWaalsContact O-CG 3.25Å; L39-Q43 WeakPolarHBondContact O-CG 3.48Å; L39-Q43 PolarHBondContact O-N 3.31Å; L39-M153 HydrophobicContact CB-CE 3.87Å; L39-F209 HydrophobicContact CD1-CB 4.31Å; L39-F209 HydrophobicContact CD1-CD1 3.9Å; L39-F209 HydrophobicContact CD1-CG 4.48Å; L39-W212 HydrophobicContact CD1-CB 3.89Å; L39-W212 HydrophobicContact CD1-CE3 4.36Å; L39-W212 HydrophobicContact CD2-CB 3.87Å |
| 40 | G | 95.6 | Very high | 92 | Very high | 30 Ų | 30 | 67.1 Ų | 67.1 | 31% | 0.309 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -62.5 | -38.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | R36 M37 L38 K44 | R36-G40 PolarHBondContact O-N 3.35Å; M37-G40 PolarHBondContact O-N 3.09Å; L38-G40 VanDerWaalsContact C-N 3.32Å; L38-G40 PolarHBondContact O-N 3.07Å; G40-K44 WeakPolarHBondContact O-CB 2.87Å; G40-K44 PolarHBondContact O-N 3.25Å |
| 41 | Q | 95.9 | Very high | 93.1 | Very high | 79 Ų | 79 | 64 Ų | 64 | 37% | 0.369 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -64.1 | -45.4 | 173.9 | -70.8 | 176.4 | -18.3 | 0 | 0 | 112 | M37 L38 L39 K44 Q45 | M37-Q41 WeakPolarHBondContact O-CG 3.23Å; M37-Q41 PolarHBondContact O-N 2.85Å; L38-Q41 WeakPolarHBondContact O-CB 3.37Å; L38-Q41 PolarHBondContact O-N 3.09Å; L39-Q41 VanDerWaalsContact C-N 3.33Å; L39-Q41 PolarHBondContact O-N 3.28Å; Q41-K44 PolarHBondContact O-N 2.76Å; Q41-Q45 WeakPolarHBondContact O-CB 3.39Å; Q41-Q45 WeakPolarHBondContact O-CG 3.35Å; Q41-Q45 PolarHBondContact O-N 3.48Å |
| 42 | L | 97.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -59 | -48.7 | 176.4 | -74.2 | 167.9 | 0 | 0 | 0 | 111.3 | L38 L39 Q45 T46 L146 N149 V150 M153 F209 | L38-L42 WeakPolarHBondContact O-CG 3.36Å; L38-L42 PolarHBondContact O-N 3.35Å; L39-L42 PolarHBondContact O-N 3.12Å; L42-Q45 PolarHBondContact O-N 3.18Å; L42-T46 VanDerWaalsContact O-CG2 3.28Å; L42-T46 WeakPolarHBondContact O-CG2 3.35Å; L42-T46 PolarHBondContact O-N 3.01Å; L42-T46 PolarHBondContact O-OG1 3.35Å; L42-L146 HydrophobicContact CD2-CD1 3.59Å; L42-N149 HydrophobicContact CD2-CB 3.59Å; L42-N149 HydrophobicContact CG-CB 4.16Å; L42-V150 HydrophobicContact CD2-CG2 3.89Å; L42-M153 HydrophobicContact CD1-CB 3.87Å; L42-M153 HydrophobicContact CD1-CE 3.76Å; L42-M153 HydrophobicContact CD1-CG 4.01Å; L42-F209 HydrophobicContact CB-CD1 4.46Å; L42-F209 HydrophobicContact CB-CD2 4.33Å; L42-F209 HydrophobicContact CB-CE1 4.3Å; L42-F209 HydrophobicContact CB-CE2 4.16Å; L42-F209 HydrophobicContact CB-CG 4.47Å; L42-F209 HydrophobicContact CB-CZ 4.14Å; L42-F209 HydrophobicContact CD1-CD1 4.46Å; L42-F209 HydrophobicContact CD1-CE1 3.76Å; L42-F209 HydrophobicContact CD1-CZ 3.91Å; L42-F209 HydrophobicContact CD2-CE2 4.37Å; L42-F209 HydrophobicContact CD2-CZ 4.04Å; L42-F209 HydrophobicContact CG-CE1 4.48Å; L42-F209 HydrophobicContact CG-CZ 4.26Å |
| 43 | Q | 97.4 | Very high | 94.7 | Very high | 52 Ų | 52 | 64.7 Ų | 64.7 | 24% | 0.243 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -57.4 | -52.1 | 177.1 | -72.7 | 169.9 | -17.6 | 0 | 0 | 111.3 | L39 Q45 T46 D47 F209 | L39-Q43 HydrophobicContact CD1-CG 4.32Å; L39-Q43 HydrophobicContact CG-CG 4.49Å; L39-Q43 WeakPolarHBondContact O-CB 2.9Å; L39-Q43 VanDerWaalsContact O-CG 3.25Å; L39-Q43 WeakPolarHBondContact O-CG 3.48Å; L39-Q43 PolarHBondContact O-N 3.31Å; Q43-Q45 PolarHBondContact O-N 2.96Å; Q43-T46 PolarHBondContact O-N 3.25Å; Q43-T46 PolarHBondContact O-OG1 3.07Å; Q43-D47 WeakPolarHBondContact O-CB 3.38Å; Q43-D47 VanDerWaalsContact O-CG 3.28Å; Q43-D47 PolarHBondContact O-N 3.22Å; Q43-F209 HydrophobicContact CG-CB 3.85Å; Q43-F209 PolarHBondContact NE2-O 3.46Å |
| 44 | K | 96.9 | Very high | 95.6 | Very high | 148 Ų | 148 | 62.3 Ų | 62.3 | 64% | 0.643 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -61.2 | -41.1 | -179.8 | -173.5 | 175.3 | -178.5 | 179.4 | 0 | 112.6 | G40 Q41 D47 L48 | G40-K44 WeakPolarHBondContact O-CB 2.87Å; G40-K44 PolarHBondContact O-N 3.25Å; Q41-K44 PolarHBondContact O-N 2.76Å; K44-D47 PolarHBondContact O-N 3.47Å; K44-L48 WeakPolarHBondContact O-CG 3.01Å; K44-L48 PolarHBondContact O-N 2.02Å; K44-L48 VanDerWaalsContact O-N 3.14Å |
| 45 | Q | 97.1 | Very high | 96 | Very high | 51 Ų | 51 | 57.1 Ų | 57.1 | 24% | 0.238 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.6 | -45.4 | 177 | -80.1 | 179.6 | -22.1 | 0 | 0 | 111.5 | Q41 L42 Q43 D47 L48 M49 L146 N149 | Q41-Q45 WeakPolarHBondContact O-CB 3.39Å; Q41-Q45 WeakPolarHBondContact O-CG 3.35Å; Q41-Q45 PolarHBondContact O-N 3.48Å; L42-Q45 PolarHBondContact O-N 3.18Å; Q43-Q45 PolarHBondContact O-N 2.96Å; Q45-D47 VanDerWaalsContact C-N 3.25Å; Q45-D47 PolarHBondContact O-N 3.34Å; Q45-L48 PolarHBondContact O-N 2.97Å; Q45-M49 HydrophobicContact CB-SD 4.33Å; Q45-M49 WeakPolarHBondContact O-CB 3.49Å; Q45-M49 WeakPolarHBondContact O-CG 3.33Å; Q45-M49 PolarHBondContact O-N 3.33Å; Q45-L146 HydrophobicContact CB-CD1 4.22Å; Q45-N149 VanDerWaalsContact CD-ND2 3.29Å; Q45-N149 PolarHBondContact NE2-ND2 3.38Å; Q45-N149 PolarHBondContact OE1-ND2 2.9Å |
| 46 | T | 97.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.7 | -34.2 | 178.3 | 54.5 | 0 | 0 | 0 | 0 | 111.8 | L42 Q43 L48 M49 Q50 L146 M202 V205 G206 F209 | L42-T46 VanDerWaalsContact O-CG2 3.28Å; L42-T46 WeakPolarHBondContact O-CG2 3.35Å; L42-T46 PolarHBondContact O-N 3.01Å; L42-T46 PolarHBondContact O-OG1 3.35Å; Q43-T46 PolarHBondContact O-N 3.25Å; Q43-T46 PolarHBondContact O-OG1 3.07Å; T46-L48 VanDerWaalsContact C-N 3.32Å; T46-L48 PolarHBondContact O-N 3.11Å; T46-M49 PolarHBondContact O-N 3.5Å; T46-Q50 PolarHBondContact O-N 2.81Å; T46-Q50 VanDerWaalsContact O-N 3.11Å; T46-L146 HydrophobicContact CG2-CD1 4.3Å; T46-L146 HydrophobicContact CG2-CD2 4.38Å; T46-M202 HydrophobicContact CG2-CE 3.62Å; T46-V205 HydrophobicContact CG2-CB 4.49Å; T46-V205 HydrophobicContact CG2-CG1 3.6Å; T46-G206 WeakPolarHBondContact OG1-CA 3.47Å; T46-F209 HydrophobicContact CG2-CD2 3.89Å; T46-F209 HydrophobicContact CG2-CE2 3.95Å |
| 47 | D | 95.5 | Very high | 96.5 | Very high | 86 Ų | 86 | 49.6 Ų | 49.6 | 46% | 0.46 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -67.7 | -31.6 | 176.3 | -75 | -22.2 | 0 | 0 | 0 | 113 | Q43 K44 Q45 Q50 | Q43-D47 WeakPolarHBondContact O-CB 3.38Å; Q43-D47 VanDerWaalsContact O-CG 3.28Å; Q43-D47 PolarHBondContact O-N 3.22Å; K44-D47 PolarHBondContact O-N 3.47Å; Q45-D47 VanDerWaalsContact C-N 3.25Å; Q45-D47 PolarHBondContact O-N 3.34Å; D47-Q50 VanDerWaalsContact CA-NE2 3.31Å; D47-Q50 VanDerWaalsContact O-CG 3.28Å; D47-Q50 WeakPolarHBondContact O-CG 3.28Å; D47-Q50 PolarHBondContact O-NE2 2.89Å; D47-Q50 PolarHBondContact OD1-NE2 3.39Å |
| 48 | L | 95.9 | Very high | 96.7 | Very high | 84 Ų | 84 | 45.2 Ų | 45.2 | 44% | 0.44 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -77.5 | -36.1 | 173.1 | -70.2 | 169.4 | 0 | 0 | 0 | 112 | K44 Q45 T46 Q50 D51 | K44-L48 WeakPolarHBondContact O-CG 3.01Å; K44-L48 PolarHBondContact O-N 2.02Å; K44-L48 VanDerWaalsContact O-N 3.14Å; Q45-L48 PolarHBondContact O-N 2.97Å; T46-L48 VanDerWaalsContact C-N 3.32Å; T46-L48 PolarHBondContact O-N 3.11Å; L48-Q50 VanDerWaalsContact C-N 3.35Å; L48-D51 WeakPolarHBondContact O-CB 3.46Å; L48-D51 PolarHBondContact O-N 3.5Å |
| 49 | M | 97.9 | Very high | 96.8 | Very high | 13 Ų | 13 | 45.4 Ų | 45.4 | 6% | 0.064 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -78.7 | -17.2 | -174.3 | -68.8 | 163.8 | 76 | 0 | 0 | 113.3 | Q45 T46 D51 V143 L146 Y198 H199 M202 | Q45-M49 HydrophobicContact CB-SD 4.33Å; Q45-M49 WeakPolarHBondContact O-CB 3.49Å; Q45-M49 WeakPolarHBondContact O-CG 3.33Å; Q45-M49 PolarHBondContact O-N 3.33Å; T46-M49 PolarHBondContact O-N 3.5Å; M49-D51 VanDerWaalsContact C-N 3.34Å; M49-V143 HydrophobicContact CE-CB 4.49Å; M49-V143 HydrophobicContact CE-CG2 3.84Å; M49-L146 HydrophobicContact CE-CB 4.08Å; M49-L146 HydrophobicContact CE-CD2 3.55Å; M49-L146 HydrophobicContact CE-CG 4.44Å; M49-L146 HydrophobicContact SD-CB 4.08Å; M49-L146 HydrophobicContact SD-CD2 3.73Å; M49-L146 HydrophobicContact SD-CG 4.42Å; M49-Y198 WeakPolarHBondContact CE-OH 3.04Å; M49-H199 PolarHBondContact O-CE1 3.46Å; M49-H199 PolarHBondContact O-ND1 2.95Å; M49-M202 HydrophobicContact CB-CB 4.22Å; M49-M202 HydrophobicContact CB-CE 3.81Å; M49-M202 HydrophobicContact CB-CG 3.97Å; M49-M202 HydrophobicContact CE-CE 3.84Å; M49-M202 HydrophobicContact CE-SD 4.29Å; M49-M202 HydrophobicContact CG-CE 4.48Å; M49-M202 HydrophobicContact SD-CE 3.93Å |
| 50 | Q | 97.7 | Very high | 96.8 | Very high | 53 Ų | 53 | 45.5 Ų | 45.5 | 25% | 0.248 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -18.8 | 171.2 | 72.5 | -173.3 | -33.5 | 0 | 0 | 113.5 | T46 D47 L48 T52 H199 M202 H203 | T46-Q50 PolarHBondContact O-N 2.81Å; T46-Q50 VanDerWaalsContact O-N 3.11Å; D47-Q50 VanDerWaalsContact CA-NE2 3.31Å; D47-Q50 VanDerWaalsContact O-CG 3.28Å; D47-Q50 WeakPolarHBondContact O-CG 3.28Å; D47-Q50 PolarHBondContact O-NE2 2.89Å; D47-Q50 PolarHBondContact OD1-NE2 3.39Å; L48-Q50 VanDerWaalsContact C-N 3.35Å; Q50-T52 PolarHBondContact O-N 3.44Å; Q50-H199 PolarHBondContact O-ND1 3.07Å; Q50-M202 HydrophobicContact CB-CB 4.29Å; Q50-H203 HydrophobicContact CB-CB 4.05Å; Q50-H203 PolarHBondContact OE1-ND1 3.41Å |
| 51 | D | 97.8 | Very high | 96.8 | Very high | 58 Ų | 58 | 48.1 Ų | 48.1 | 31% | 0.31 | 23% | 0.23 | S | C | . | . | trans | -71.6 | 114.2 | -177.7 | 177.6 | 1.1 | 0 | 0 | 0 | 110.8 | L48 M49 S53 R54 H199 | L48-D51 WeakPolarHBondContact O-CB 3.46Å; L48-D51 PolarHBondContact O-N 3.5Å; M49-D51 VanDerWaalsContact C-N 3.34Å; D51-S53 PolarHBondContact O-N 3.07Å; D51-S53 VanDerWaalsContact OD1-CB 3.3Å; D51-S53 WeakPolarHBondContact OD1-CB 3.45Å; D51-S53 PolarHBondContact OD1-N 2.84Å; D51-S53 PolarHBondContact OD1-OG 3.45Å; D51-S53 PolarHBondContact OD2-OG 3.03Å; D51-R54 HydrophobicContact CB-CG 3.94Å; D51-R54 WeakPolarHBondContact O-CB 3.4Å; D51-R54 PolarHBondContact O-N 3.16Å; D51-R54 IonicContact OD2-NE 2.63Å; D51-H199 PolarHBondContact O-CE1 3.33Å | ||
| 52 | T | 97.6 | Very high | 96.8 | Very high | 53 Ų | 53 | 44.6 Ų | 44.6 | 33% | 0.325 | 21% | 0.214 | S | C | . | . | G | 310 helix | trans | -64.5 | -26.3 | -176.8 | 59.1 | 0 | 0 | 0 | 0 | 112.8 | Q50 R54 L55 L56 D57 H199 | Q50-T52 PolarHBondContact O-N 3.44Å; T52-R54 PolarHBondContact O-N 3.09Å; T52-R54 VanDerWaalsContact O-N 3.13Å; T52-L55 PolarHBondContact O-N 2.97Å; T52-L56 HydrophobicContact CG2-CD2 3.94Å; T52-L56 PolarHBondContact O-N 3.22Å; T52-D57 WeakPolarHBondContact CB-OD2 3.32Å; T52-D57 PolarHBondContact O-N 3.2Å; T52-D57 PolarHBondContact OG1-OD2 3.43Å; T52-H199 HydrophobicContact CG2-CB 4.18Å |
| 53 | S | 96.9 | Very high | 96.6 | Very high | 48 Ų | 48 | 45.1 Ų | 45.1 | 34% | 0.336 | 22% | 0.216 | S | C | . | . | G | 310 helix | trans | -66.6 | -16.8 | -178.9 | 74.8 | 0 | 0 | 0 | 0 | 112.9 | D51 D57 P58 | D51-S53 PolarHBondContact O-N 3.07Å; D51-S53 VanDerWaalsContact OD1-CB 3.3Å; D51-S53 WeakPolarHBondContact OD1-CB 3.45Å; D51-S53 PolarHBondContact OD1-N 2.84Å; D51-S53 PolarHBondContact OD1-OG 3.45Å; D51-S53 PolarHBondContact OD2-OG 3.03Å; S53-D57 WeakPolarHBondContact CA-OD2 3.3Å; S53-D57 PolarHBondContact N-OD2 3.4Å; S53-P58 WeakPolarHBondContact O-CD 3.31Å; S53-P58 WeakPolarHBondContact O-CG 3.45Å |
| 54 | R | 95.6 | Very high | 96.3 | Very high | 140 Ų | 140 | 44.8 Ų | 44.8 | 53% | 0.528 | 23% | 0.227 | S | C | . | . | G | 310 helix | trans | -84.2 | -19.5 | -179.7 | -59.7 | -68.2 | -177.9 | 162.2 | -1 | 113.8 | D51 T52 | D51-R54 HydrophobicContact CB-CG 3.94Å; D51-R54 WeakPolarHBondContact O-CB 3.4Å; D51-R54 PolarHBondContact O-N 3.16Å; D51-R54 IonicContact OD2-NE 2.63Å; T52-R54 PolarHBondContact O-N 3.09Å; T52-R54 VanDerWaalsContact O-N 3.13Å |
| 55 | L | 97 | Very high | 96.2 | Very high | 10 Ų | 10 | 37.9 Ų | 37.9 | 5% | 0.052 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -152 | -58.8 | -171.9 | -179.9 | 57.2 | 0 | 0 | 0 | 113.1 | T52 P58 Y59 L110 L136 A139 L195 Y198 | T52-L55 PolarHBondContact O-N 2.97Å; L55-P58 WeakPolarHBondContact O-CD 3.38Å; L55-Y59 WeakPolarHBondContact O-CB 3.47Å; L55-Y59 PolarHBondContact O-N 3.3Å; L55-L110 HydrophobicContact CD2-CD2 4.39Å; L55-L136 HydrophobicContact CD1-CD2 3.53Å; L55-L136 WeakPolarHBondContact O-CD2 3.46Å; L55-A139 HydrophobicContact CD1-CB 3.69Å; L55-A139 HydrophobicContact CD2-CB 3.95Å; L55-A139 HydrophobicContact CG-CB 4.44Å; L55-L195 HydrophobicContact CD1-CD1 4.49Å; L55-L195 HydrophobicContact CD1-CD2 4.31Å; L55-L195 HydrophobicContact CD2-CD2 3.7Å; L55-L195 HydrophobicContact CG-CD1 4.29Å; L55-L195 HydrophobicContact CG-CD2 3.83Å; L55-Y198 HydrophobicContact CD2-CD1 3.95Å; L55-Y198 HydrophobicContact CD2-CE1 3.73Å |
| 56 | L | 97.4 | Very high | 96.1 | Very high | 8 Ų | 8 | 39 Ų | 39 | 4% | 0.042 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.6 | -49.1 | -178.4 | 174.2 | 65.7 | 0 | 0 | 0 | 113.4 | T52 Y59 I60 C192 L195 R196 H199 | T52-L56 HydrophobicContact CG2-CD2 3.94Å; T52-L56 PolarHBondContact O-N 3.22Å; L56-Y59 WeakPolarHBondContact O-CB 3.48Å; L56-Y59 PolarHBondContact O-N 3.42Å; L56-I60 HydrophobicContact CD1-CD1 3.94Å; L56-I60 HydrophobicContact CD1-CG1 4.16Å; L56-I60 HydrophobicContact CG-CD1 3.92Å; L56-I60 HydrophobicContact CG-CG1 4.49Å; L56-I60 WeakPolarHBondContact O-CG1 3.49Å; L56-I60 PolarHBondContact O-N 3.36Å; L56-C192 WeakPolarHBondContact CD1-O 3.41Å; L56-L195 HydrophobicContact CB-CB 4.37Å; L56-L195 HydrophobicContact CD1-CB 3.83Å; L56-R196 HydrophobicContact CD1-CB 4.44Å; L56-R196 HydrophobicContact CD2-CB 3.96Å; L56-R196 HydrophobicContact CD2-CG 4.14Å; L56-H199 VanDerWaalsContact CB-CD2 3.49Å; L56-H199 WeakPolarHBondContact CB-CD2 3.46Å; L56-H199 WeakPolarHBondContact CB-NE2 3.42Å; L56-H199 PolarHBondContact N-NE2 2.85Å |
| 57 | D | 96.9 | Very high | 95.9 | Very high | 31 Ų | 31 | 43.3 Ų | 43.3 | 17% | 0.166 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66.6 | -42.8 | -176.4 | -57.6 | -42.8 | 0 | 0 | 0 | 112.2 | T52 S53 Y59 I60 R61 R71 | T52-D57 WeakPolarHBondContact CB-OD2 3.32Å; T52-D57 PolarHBondContact O-N 3.2Å; T52-D57 PolarHBondContact OG1-OD2 3.43Å; S53-D57 WeakPolarHBondContact CA-OD2 3.3Å; S53-D57 PolarHBondContact N-OD2 3.4Å; D57-Y59 VanDerWaalsContact C-N 3.32Å; D57-Y59 PolarHBondContact O-N 2.8Å; D57-I60 PolarHBondContact O-N 2.77Å; D57-R61 PolarHBondContact O-N 2.94Å; D57-R61 VanDerWaalsContact O-N 3.09Å; D57-R71 IonicContact OD1-NH2 2.64Å |
| 58 | P | 96.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -55.6 | -42.4 | 167.9 | -27.7 | 35.6 | 0 | 0 | 0 | 113.7 | S53 L55 R61 I62 D132 K135 L136 | S53-P58 WeakPolarHBondContact O-CD 3.31Å; S53-P58 WeakPolarHBondContact O-CG 3.45Å; L55-P58 WeakPolarHBondContact O-CD 3.38Å; P58-R61 PolarHBondContact O-N 3.08Å; P58-I62 WeakPolarHBondContact O-CB 3.39Å; P58-I62 PolarHBondContact O-N 3.42Å; P58-D132 HydrophobicContact CB-CB 3.86Å; P58-K135 HydrophobicContact CB-CB 4.29Å; P58-K135 HydrophobicContact CG-CB 3.96Å; P58-K135 HydrophobicContact CG-CD 3.7Å; P58-K135 HydrophobicContact CG-CG 4.48Å; P58-L136 HydrophobicContact CB-CD2 4.37Å; P58-L136 HydrophobicContact CB-CG 4.21Å |
| 59 | Y | 96.8 | Very high | 95.4 | Very high | 5 Ų | 5 | 47.7 Ų | 47.7 | 2% | 0.02 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.3 | -45.8 | 176.9 | -176.9 | -93.3 | 0 | 0 | 0 | 111.9 | L55 L56 D57 R61 Q63 L65 L113 L117 L136 K188 C192 L195 | L55-Y59 WeakPolarHBondContact O-CB 3.47Å; L55-Y59 PolarHBondContact O-N 3.3Å; L56-Y59 WeakPolarHBondContact O-CB 3.48Å; L56-Y59 PolarHBondContact O-N 3.42Å; D57-Y59 VanDerWaalsContact C-N 3.32Å; D57-Y59 PolarHBondContact O-N 2.8Å; Y59-R61 VanDerWaalsContact C-N 3.32Å; Y59-R61 PolarHBondContact O-N 3.2Å; Y59-Q63 HydrophobicContact CD1-CG 4.28Å; Y59-Q63 HydrophobicContact CD2-CG 4.13Å; Y59-Q63 HydrophobicContact CE1-CG 3.94Å; Y59-Q63 HydrophobicContact CE2-CG 3.8Å; Y59-Q63 HydrophobicContact CG-CG 4.36Å; Y59-Q63 VanDerWaalsContact O-CB 3.28Å; Y59-Q63 WeakPolarHBondContact O-CB 3.44Å; Y59-Q63 WeakPolarHBondContact O-CG 3.45Å; Y59-Q63 PolarHBondContact O-N 2.92Å; Y59-L65 HydrophobicContact CE1-CD1 4.31Å; Y59-L113 HydrophobicContact CE2-CD2 4.13Å; Y59-L117 HydrophobicContact CD2-CD2 4.14Å; Y59-L117 HydrophobicContact CE2-CD2 4.18Å; Y59-L136 HydrophobicContact CD2-CD2 4.38Å; Y59-K188 WeakPolarHBondContact CE1-O 3.44Å; Y59-K188 PolarHBondContact OH-O 3.14Å; Y59-C192 HydrophobicContact CD1-CB 4.22Å; Y59-C192 HydrophobicContact CE1-CB 3.97Å; Y59-C192 VanDerWaalsContact CE1-N 3.34Å; Y59-L195 VanDerWaalsContact CB-CD1 3.48Å; Y59-L195 HydrophobicContact CD1-CD1 3.88Å; Y59-L195 HydrophobicContact CD2-CD1 3.72Å; Y59-L195 HydrophobicContact CE2-CD1 4.42Å; Y59-L195 HydrophobicContact CG-CD1 3.41Å; Y59-L195 VanDerWaalsContact CG-CD1 3.41Å |
| 60 | I | 96.3 | Very high | 95.1 | Very high | 6 Ų | 6 | 48.9 Ų | 48.9 | 3% | 0.031 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -57.6 | -47 | 178 | -74.3 | 171.4 | 0 | 0 | 0 | 110.4 | L56 D57 G64 L65 D66 R71 C192 | L56-I60 HydrophobicContact CD1-CD1 3.94Å; L56-I60 HydrophobicContact CD1-CG1 4.16Å; L56-I60 HydrophobicContact CG-CD1 3.92Å; L56-I60 HydrophobicContact CG-CG1 4.49Å; L56-I60 WeakPolarHBondContact O-CG1 3.49Å; L56-I60 PolarHBondContact O-N 3.36Å; D57-I60 PolarHBondContact O-N 2.77Å; I60-G64 PolarHBondContact O-N 3.31Å; I60-L65 HydrophobicContact CG2-CB 4.08Å; I60-L65 WeakPolarHBondContact O-CA 3.41Å; I60-L65 WeakPolarHBondContact O-CB 3.38Å; I60-L65 PolarHBondContact O-N 2.95Å; I60-D66 HydrophobicContact CG2-CB 3.89Å; I60-D66 PolarHBondContact O-N 3.29Å; I60-R71 HydrophobicContact CG2-CG 4.14Å; I60-C192 WeakPolarHBondContact CG1-SG 3.36Å |
| 61 | R | 95.4 | Very high | 94.7 | Very high | 86 Ų | 86 | 51.2 Ų | 51.2 | 33% | 0.325 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -65 | -53.9 | 179.3 | -73.5 | -171.3 | -63.5 | -85.5 | 0.9 | 112.2 | D57 P58 Y59 Q63 G64 D66 D132 | D57-R61 PolarHBondContact O-N 2.94Å; D57-R61 VanDerWaalsContact O-N 3.09Å; P58-R61 PolarHBondContact O-N 3.08Å; Y59-R61 VanDerWaalsContact C-N 3.32Å; Y59-R61 PolarHBondContact O-N 3.2Å; R61-Q63 PolarHBondContact O-N 3.33Å; R61-G64 PolarHBondContact O-N 2.93Å; R61-D66 HydrophobicContact CG-CB 4.14Å; R61-D132 IonicContact CZ-OD1 3.33Å; R61-D132 IonicContact CZ-OD2 2.84Å; R61-D132 IonicContact NE-OD1 3.56Å; R61-D132 PolarHBondContact NE-OD1 3.34Å; R61-D132 IonicContact NE-OD2 3.83Å; R61-D132 PolarHBondContact NE-OD2 3.38Å; R61-D132 IonicContact NH2-OD1 3.32Å; R61-D132 PolarHBondContact NH2-OD1 3.2Å; R61-D132 IonicContact NH2-OD2 3.33Å |
| 62 | I | 94.3 | Very high | 94.3 | Very high | 4 Ų | 4 | 54 Ų | 54 | 2% | 0.021 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.6 | -26.3 | -173.6 | -151.7 | 172.7 | 0 | 0 | 0 | 112.7 | P58 L117 P118 L123 L128 L133 L136 | P58-I62 WeakPolarHBondContact O-CB 3.39Å; P58-I62 PolarHBondContact O-N 3.42Å; I62-L117 HydrophobicContact CG2-CD2 4Å; I62-P118 HydrophobicContact CG1-CG 4.18Å; I62-L123 HydrophobicContact CD1-CD2 3.9Å; I62-L123 HydrophobicContact CG1-CD2 4.12Å; I62-L128 HydrophobicContact CG1-CB 4.46Å; I62-L128 HydrophobicContact CG1-CD1 4.06Å; I62-L128 WeakPolarHBondContact O-CD1 3.37Å; I62-L133 HydrophobicContact CD1-CB 3.87Å; I62-L133 HydrophobicContact CD1-CD1 4.15Å; I62-L136 HydrophobicContact CB-CD1 4.49Å; I62-L136 HydrophobicContact CD1-CD1 4.19Å; I62-L136 HydrophobicContact CG2-CD1 3.67Å |
| 63 | Q | 93.6 | Very high | 94.1 | Very high | 11 Ų | 11 | 57 Ų | 57 | 5% | 0.051 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | -2.5 | 178.2 | -68.2 | -69.3 | 12.9 | 0 | 0 | 114 | Y59 R61 L65 H116 K188 | Y59-Q63 HydrophobicContact CD1-CG 4.28Å; Y59-Q63 HydrophobicContact CD2-CG 4.13Å; Y59-Q63 HydrophobicContact CE1-CG 3.94Å; Y59-Q63 HydrophobicContact CE2-CG 3.8Å; Y59-Q63 HydrophobicContact CG-CG 4.36Å; Y59-Q63 VanDerWaalsContact O-CB 3.28Å; Y59-Q63 WeakPolarHBondContact O-CB 3.44Å; Y59-Q63 WeakPolarHBondContact O-CG 3.45Å; Y59-Q63 PolarHBondContact O-N 2.92Å; R61-Q63 PolarHBondContact O-N 3.33Å; Q63-L65 HydrophobicContact CB-CD1 4.25Å; Q63-L65 HydrophobicContact CB-CG 4.04Å; Q63-H116 PolarHBondContact NE2-O 2.85Å; Q63-K188 HydrophobicContact CB-CD 4.23Å; Q63-K188 HydrophobicContact CB-CG 4.36Å; Q63-K188 HydrophobicContact CG-CG 4.47Å; Q63-K188 PolarHBondContact O-NZ 3.05Å |
| 64 | G | 92.2 | Very high | 93.8 | Very high | 46 Ų | 46 | 54.8 Ų | 54.8 | 47% | 0.474 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.5 | 26.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | I60 R61 | I60-G64 PolarHBondContact O-N 3.31Å; R61-G64 PolarHBondContact O-N 2.93Å |
| 65 | L | 94.7 | Very high | 93.6 | Very high | 2 Ų | 2 | 56 Ų | 56 | 1% | 0.01 | 27% | 0.272 | C | S | . | . | trans | -95.7 | 0.5 | 179.7 | -56 | 179 | 0 | 0 | 0 | 112.9 | Y59 I60 Q63 I67 L70 R71 F185 K188 L189 C192 | Y59-L65 HydrophobicContact CE1-CD1 4.31Å; I60-L65 HydrophobicContact CG2-CB 4.08Å; I60-L65 WeakPolarHBondContact O-CA 3.41Å; I60-L65 WeakPolarHBondContact O-CB 3.38Å; I60-L65 PolarHBondContact O-N 2.95Å; Q63-L65 HydrophobicContact CB-CD1 4.25Å; Q63-L65 HydrophobicContact CB-CG 4.04Å; L65-I67 PolarHBondContact O-N 3.44Å; L65-L70 HydrophobicContact CD2-CD1 4.16Å; L65-R71 WeakPolarHBondContact O-CG 3.33Å; L65-F185 HydrophobicContact CD2-CE2 4.49Å; L65-K188 HydrophobicContact CD1-CB 4.21Å; L65-K188 HydrophobicContact CD2-CB 4.3Å; L65-L189 HydrophobicContact CD1-CD2 4.48Å; L65-L189 HydrophobicContact CD2-CD2 4.12Å; L65-C192 HydrophobicContact CD1-CB 3.97Å | ||
| 66 | D | 94.1 | Very high | 93.3 | Very high | 74 Ų | 74 | 57.7 Ų | 57.7 | 40% | 0.396 | 28% | 0.279 | S | S | . | . | trans | -76.8 | 48.1 | -177.4 | -158.1 | 18.3 | 0 | 0 | 0 | 113 | I60 R61 R71 | I60-D66 HydrophobicContact CG2-CB 3.89Å; I60-D66 PolarHBondContact O-N 3.29Å; R61-D66 HydrophobicContact CG-CB 4.14Å; D66-R71 WeakPolarHBondContact OD1-CD 3.38Å; D66-R71 IonicContact OD1-CZ 3.37Å; D66-R71 IonicContact OD1-NE 2.76Å; D66-R71 IonicContact OD1-NH1 3.47Å; D66-R71 PolarHBondContact OD1-NH1 3.37Å | ||
| 67 | I | 93.4 | Very high | 92.9 | Very high | 92 Ų | 92 | 60.3 Ų | 60.3 | 47% | 0.472 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -120.1 | 130.8 | 175.7 | -59.3 | 170.7 | 0 | 0 | 0 | 106 | L65 K69 L70 R71 | L65-I67 PolarHBondContact O-N 3.44Å; I67-K69 VanDerWaalsContact C-N 3.3Å; I67-K69 PolarHBondContact O-N 3.37Å; I67-K69 VanDerWaalsContact O-N 3.11Å; I67-L70 HydrophobicContact CB-CB 4.49Å; I67-L70 HydrophobicContact CB-CD1 4.4Å; I67-L70 HydrophobicContact CB-CG 4.35Å; I67-L70 HydrophobicContact CD1-CD1 4.19Å; I67-L70 PolarHBondContact O-N 2.86Å; I67-R71 PolarHBondContact O-N 3.34Å |
| 68 | P | 91.4 | Very high | 92.5 | Very high | 98 Ų | 98 | 65.2 Ų | 65.2 | 64% | 0.636 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -47.8 | -47.7 | -172.3 | -31.7 | 35.4 | 0 | 0 | 0 | 114.5 | L70 R71 E72 | P68-L70 VanDerWaalsContact C-N 3.3Å; P68-L70 PolarHBondContact O-N 3.11Å; P68-R71 PolarHBondContact O-N 3.31Å; P68-E72 PolarHBondContact O-N 2.64Å |
| 69 | K | 90.4 | Very high | 92.3 | Very high | 164 Ų | 164 | 68.9 Ų | 68.9 | 71% | 0.713 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -59.6 | -35.4 | 178.3 | -65.9 | -176.8 | 178.6 | -179.3 | 0 | 113.4 | I67 H73 | I67-K69 VanDerWaalsContact C-N 3.3Å; I67-K69 PolarHBondContact O-N 3.37Å; I67-K69 VanDerWaalsContact O-N 3.11Å; K69-H73 PolarHBondContact O-CE1 3.2Å; K69-H73 PolarHBondContact O-ND1 3.36Å |
| 70 | L | 90.4 | Very high | 92.1 | Very high | 37 Ų | 37 | 71 Ų | 71 | 19% | 0.194 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -80.1 | -36.8 | 179 | -63.8 | -174.2 | 0 | 0 | 0 | 111.8 | L65 I67 P68 E72 H73 C74 F185 | L65-L70 HydrophobicContact CD2-CD1 4.16Å; I67-L70 HydrophobicContact CB-CB 4.49Å; I67-L70 HydrophobicContact CB-CD1 4.4Å; I67-L70 HydrophobicContact CB-CG 4.35Å; I67-L70 HydrophobicContact CD1-CD1 4.19Å; I67-L70 PolarHBondContact O-N 2.86Å; P68-L70 VanDerWaalsContact C-N 3.3Å; P68-L70 PolarHBondContact O-N 3.11Å; L70-E72 PolarHBondContact O-N 3.25Å; L70-H73 WeakPolarHBondContact O-CB 3.46Å; L70-H73 PolarHBondContact O-N 2.76Å; L70-C74 PolarHBondContact O-N 3.1Å; L70-F185 HydrophobicContact CD1-CE2 4.18Å; L70-F185 HydrophobicContact CD1-CZ 4.48Å; L70-F185 HydrophobicContact CD2-CE2 4.21Å; L70-F185 HydrophobicContact CD2-CZ 3.67Å |
| 71 | R | 90 | Very high | 92.2 | Very high | 103 Ų | 103 | 71.2 Ų | 71.2 | 39% | 0.389 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -60 | -32.2 | 176 | -66.2 | -175.1 | 73.3 | 155.3 | -2.1 | 112.4 | D57 I60 L65 D66 I67 P68 H73 C74 | D57-R71 IonicContact OD1-NH2 2.64Å; I60-R71 HydrophobicContact CG2-CG 4.14Å; L65-R71 WeakPolarHBondContact O-CG 3.33Å; D66-R71 WeakPolarHBondContact OD1-CD 3.38Å; D66-R71 IonicContact OD1-CZ 3.37Å; D66-R71 IonicContact OD1-NE 2.76Å; D66-R71 IonicContact OD1-NH1 3.47Å; D66-R71 PolarHBondContact OD1-NH1 3.37Å; I67-R71 PolarHBondContact O-N 3.34Å; P68-R71 PolarHBondContact O-N 3.31Å; R71-H73 PolarHBondContact O-N 2.84Å; R71-C74 WeakPolarHBondContact O-CB 3.42Å; R71-C74 PolarHBondContact O-N 3.35Å |
| 72 | E | 90.3 | Very high | 92.3 | Very high | 116 Ų | 116 | 68.3 Ų | 68.3 | 54% | 0.542 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -24.6 | 174.8 | -72.5 | 175.3 | -163.3 | 0 | 0 | 113.7 | P68 L70 R75 | P68-E72 PolarHBondContact O-N 2.64Å; L70-E72 PolarHBondContact O-N 3.25Å; E72-R75 VanDerWaalsContact O-CG 3.26Å; E72-R75 WeakPolarHBondContact O-CG 3.43Å; E72-R75 PolarHBondContact O-NE 2.95Å |
| 73 | H | 91.8 | Very high | 92.4 | Very high | 115 Ų | 115 | 70.1 Ų | 70.1 | 53% | 0.532 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -14 | 177.7 | -66.3 | 81.8 | 0 | 0 | 0 | 112.8 | K69 L70 R71 R75 L189 | K69-H73 PolarHBondContact O-CE1 3.2Å; K69-H73 PolarHBondContact O-ND1 3.36Å; L70-H73 WeakPolarHBondContact O-CB 3.46Å; L70-H73 PolarHBondContact O-N 2.76Å; R71-H73 PolarHBondContact O-N 2.84Å; H73-R75 PolarHBondContact O-N 3.4Å; H73-L189 HydrophobicContact CB-CD2 4.09Å |
| 74 | C | 92 | Very high | 92.6 | Very high | 2 Ų | 2 | 72.3 Ų | 72.3 | 1% | 0.014 | 41% | 0.405 | C | S | . | . | trans | -73.8 | 64.9 | 169.2 | -67.7 | 0 | 0 | 0 | 0 | 110.5 | L70 R71 C192 R196 | L70-C74 PolarHBondContact O-N 3.1Å; R71-C74 WeakPolarHBondContact O-CB 3.42Å; R71-C74 PolarHBondContact O-N 3.35Å; C74-C192 HydrophobicContact CB-CB 3.88Å; C74-C192 WeakPolarHBondContact CB-SG 3.44Å; C74-C192 WeakPolarHBondContact SG-CB 3.2Å; C74-C192 CovalentContact SG-SG 2.02Å; C74-C192 PolarHBondContact SG-SG 3.38Å; C74-R196 WeakPolarHBondContact O-CD 3.48Å; C74-R196 PolarHBondContact O-NH1 3.46Å | ||
| 75 | R | 90.7 | Very high | 92.8 | Very high | 166 Ų | 166 | 77.9 Ų | 77.9 | 63% | 0.626 | 42% | 0.418 | S | S | * | . | P | Polyproline II helix | trans | -103.6 | 146 | 176.3 | -62.8 | -175 | -173.7 | -165.4 | -0.4 | 109.3 | E72 H73 S77 S193 | E72-R75 VanDerWaalsContact O-CG 3.26Å; E72-R75 WeakPolarHBondContact O-CG 3.43Å; E72-R75 PolarHBondContact O-NE 2.95Å; H73-R75 PolarHBondContact O-N 3.4Å; R75-S77 PolarHBondContact O-N 2.74Å; R75-S193 WeakPolarHBondContact O-CA 3.36Å; R75-S193 WeakPolarHBondContact O-CB 3.25Å; R75-S193 PolarHBondContact O-OG 2.74Å; R75-S193 VanDerWaalsContact O-OG 3.09Å |
| 76 | E | 91.3 | Very high | 92.9 | Very high | 45 Ų | 45 | 81.6 Ų | 81.6 | 21% | 0.21 | 44% | 0.441 | C | S | . | . | P | Polyproline II helix | trans | -61 | 133 | 172.1 | 174.6 | 177.3 | -166.8 | 0 | 0 | 110.3 | G197 R200 | E76-G197 VanDerWaalsContact CD-CA 3.45Å; E76-R200 VanDerWaalsContact CD-NH2 3.33Å; E76-R200 IonicContact OE1-CZ 2.74Å; E76-R200 VanDerWaalsContact OE1-CZ 3.32Å; E76-R200 IonicContact OE1-NE 3.8Å; E76-R200 PolarHBondContact OE1-NE 2.77Å; E76-R200 IonicContact OE1-NH2 3.82Å; E76-R200 PolarHBondContact OE1-NH2 3.29Å; E76-R200 IonicContact OE2-CZ 3.64Å; E76-R200 IonicContact OE2-NE 2.62Å; E76-R200 PolarHBondContact OE2-NE 3Å; E76-R200 IonicContact OE2-NH2 3.48Å; E76-R200 PolarHBondContact OE2-NH2 3.35Å |
| 77 | S | 88.6 | Confident | 93.1 | Very high | 64 Ų | 64 | 78 Ų | 78 | 45% | 0.448 | 42% | 0.422 | S | S | . | . | P | Polyproline II helix | trans | -70.2 | 126.4 | 170.6 | -55.9 | 0 | 0 | 0 | 0 | 110.3 | R75 G79 A80 | R75-S77 PolarHBondContact O-N 2.74Å; S77-G79 PolarHBondContact O-N 3.02Å; S77-A80 VanDerWaalsContact O-CB 3.23Å; S77-A80 WeakPolarHBondContact O-CB 3.33Å; S77-A80 PolarHBondContact O-N 3.28Å; S77-A80 VanDerWaalsContact O-N 3.12Å |
| 78 | P | 89.3 | Confident | 93.2 | Very high | 134 Ų | 134 | 78.9 Ų | 78.9 | 87% | 0.87 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | 133.1 | 178.5 | -27.4 | 34.9 | 0 | 0 | 0 | 112.2 | A80 | P78-A80 PolarHBondContact O-N 2.89Š|
| 79 | G | 90.9 | Very high | 93.4 | Very high | 77 Ų | 77 | 77.5 Ų | 77.5 | 79% | 0.794 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.9 | -0.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | S77 F81 | S77-G79 PolarHBondContact O-N 3.02Å; G79-F81 VanDerWaalsContact C-N 3.26Å; G79-F81 PolarHBondContact O-N 3.11Å |
| 80 | A | 92.9 | Very high | 93.5 | Very high | 48 Ų | 48 | 72.3 Ų | 72.3 | 40% | 0.397 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -62.8 | -33.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | S77 P78 | S77-A80 VanDerWaalsContact O-CB 3.23Å; S77-A80 WeakPolarHBondContact O-CB 3.33Å; S77-A80 PolarHBondContact O-N 3.28Å; S77-A80 VanDerWaalsContact O-N 3.12Å; P78-A80 PolarHBondContact O-N 2.89Å |
| 81 | F | 97.8 | Very high | 93.6 | Very high | 11 Ų | 11 | 73.1 Ų | 73.1 | 5% | 0.048 | 42% | 0.42 | C | S | . | . | S | Bend | trans | -129.6 | 147.9 | 176.7 | -66.4 | -90.8 | 0 | 0 | 0 | 111.9 | G79 T102 V106 F194 Y198 R200 F201 | G79-F81 VanDerWaalsContact C-N 3.26Å; G79-F81 PolarHBondContact O-N 3.11Å; F81-T102 HydrophobicContact CD1-CG2 3.85Å; F81-T102 HydrophobicContact CE1-CG2 4.17Å; F81-V106 HydrophobicContact CE1-CG2 3.74Å; F81-V106 HydrophobicContact CZ-CG2 4.26Å; F81-F194 HydrophobicContact CE1-CE2 4.49Å; F81-F194 HydrophobicContact CE2-CD2 4.08Å; F81-F194 HydrophobicContact CE2-CE2 4.31Å; F81-F194 WeakPolarHBondContact CE2-O 3.44Å; F81-F194 AromaticContact CZ-CD2 3.81Å; F81-F194 HydrophobicContact CZ-CD2 3.81Å; F81-F194 AromaticContact CZ-CE2 3.58Å; F81-F194 HydrophobicContact CZ-CE2 3.58Å; F81-F194 HydrophobicContact CZ-CZ 4.39Å; F81-Y198 VanDerWaalsContact CE2-N 3.3Å; F81-R200 PolarHBondContact O-NH2 3.05Å; F81-F201 HydrophobicContact CB-CB 3.82Å; F81-F201 HydrophobicContact CB-CD2 4.22Å; F81-F201 HydrophobicContact CB-CG 4.21Å; F81-F201 HydrophobicContact CD1-CB 3.69Å; F81-F201 HydrophobicContact CD1-CD1 4.01Å; F81-F201 HydrophobicContact CD1-CD2 4.27Å; F81-F201 AromaticContact CD1-CG 3.72Å; F81-F201 HydrophobicContact CD1-CG 3.72Å; F81-F201 HydrophobicContact CE1-CB 4.46Å; F81-F201 HydrophobicContact CE1-CD1 4.43Å; F81-F201 HydrophobicContact CG-CB 3.85Å; F81-F201 HydrophobicContact CG-CG 4.28Å |
| 82 | P | 97.6 | Very high | 93.8 | Very high | 25 Ų | 25 | 73.5 Ų | 73.5 | 16% | 0.162 | 42% | 0.421 | C | S | . | . | trans | -51.8 | 141.2 | 174.1 | -26.1 | 34.5 | 0 | 0 | 0 | 112.5 | L87 T98 R200 F201 | P82-L87 HydrophobicContact CB-CD1 4.45Å; P82-L87 HydrophobicContact CB-CD2 3.89Å; P82-L87 HydrophobicContact CB-CG 3.94Å; P82-L87 HydrophobicContact CG-CD2 4.45Å; P82-T98 HydrophobicContact CG-CG2 4.19Å; P82-R200 PolarHBondContact O-NH1 2.81Å; P82-F201 HydrophobicContact CB-CE2 4.47Å; P82-F201 HydrophobicContact CG-CE2 4.19Å | ||
| 83 | S | 96.9 | Very high | 93.9 | Very high | 43 Ų | 43 | 72.9 Ų | 72.9 | 30% | 0.301 | 41% | 0.414 | S | S | . | . | trans | -71.4 | 158.9 | 172.9 | 78.7 | 0 | 0 | 0 | 0 | 111.3 | E85 T86 L87 | S83-E85 VanDerWaalsContact C-N 3.26Å; S83-E85 PolarHBondContact O-N 3.3Å; S83-T86 PolarHBondContact O-N 3.09Å; S83-T86 WeakPolarHBondContact OG-CB 3.44Å; S83-T86 PolarHBondContact OG-N 3.18Å; S83-T86 PolarHBondContact OG-OG1 3.36Å; S83-L87 WeakPolarHBondContact O-CG 3.24Å; S83-L87 PolarHBondContact O-N 3.43Å | ||
| 84 | E | 97.6 | Very high | 94.1 | Very high | 57 Ų | 57 | 68.4 Ų | 68.4 | 27% | 0.266 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -58.5 | -41.9 | 173.1 | -173.3 | 173.5 | 140.7 | 0 | 0 | 111.7 | L87 R88 | E84-L87 PolarHBondContact O-N 3.13Å; E84-R88 HydrophobicContact CG-CG 4.28Å; E84-R88 WeakPolarHBondContact O-CB 3.39Å; E84-R88 VanDerWaalsContact O-CG 3.32Å; E84-R88 WeakPolarHBondContact O-CG 3.38Å; E84-R88 PolarHBondContact O-N 3.37Å; E84-R88 IonicContact OE1-CZ 3.5Å; E84-R88 IonicContact OE1-NE 2.99Å; E84-R88 PolarHBondContact OE1-NE 2.91Å; E84-R88 IonicContact OE1-NH2 2.67Å; E84-R88 PolarHBondContact OE1-NH2 3.44Å |
| 85 | E | 97 | Very high | 94.4 | Very high | 163 Ų | 163 | 68.3 Ų | 68.3 | 76% | 0.762 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -59.5 | -48.3 | 177 | -177.5 | 179.3 | -177.7 | 0 | 0 | 111.3 | S83 L87 R88 G89 | S83-E85 VanDerWaalsContact C-N 3.26Å; S83-E85 PolarHBondContact O-N 3.3Å; E85-L87 VanDerWaalsContact C-N 3.29Å; E85-L87 PolarHBondContact O-N 3.1Å; E85-R88 PolarHBondContact O-N 3.27Å; E85-G89 PolarHBondContact O-N 2.93Å |
| 86 | T | 97.3 | Very high | 94.7 | Very high | 79 Ų | 79 | 60.7 Ų | 60.7 | 49% | 0.485 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -56 | -46.4 | 174.6 | -54.3 | 0 | 0 | 0 | 0 | 110.5 | S83 G89 L90 | S83-T86 PolarHBondContact O-N 3.09Å; S83-T86 WeakPolarHBondContact OG-CB 3.44Å; S83-T86 PolarHBondContact OG-N 3.18Å; S83-T86 PolarHBondContact OG-OG1 3.36Å; T86-G89 PolarHBondContact O-N 3.33Å; T86-L90 WeakPolarHBondContact O-CG 3.47Å; T86-L90 PolarHBondContact O-N 2.84Å |
| 87 | L | 98 | Very high | 95 | Very high | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -66.6 | -37.3 | -179.8 | -68.5 | 171.6 | 0 | 0 | 0 | 113.1 | P82 S83 E84 E85 L90 F95 T98 F201 V205 V208 | P82-L87 HydrophobicContact CB-CD1 4.45Å; P82-L87 HydrophobicContact CB-CD2 3.89Å; P82-L87 HydrophobicContact CB-CG 3.94Å; P82-L87 HydrophobicContact CG-CD2 4.45Å; S83-L87 WeakPolarHBondContact O-CG 3.24Å; S83-L87 PolarHBondContact O-N 3.43Å; E84-L87 PolarHBondContact O-N 3.13Å; E85-L87 VanDerWaalsContact C-N 3.29Å; E85-L87 PolarHBondContact O-N 3.1Å; L87-L90 HydrophobicContact CD2-CD1 4.18Å; L87-L90 WeakPolarHBondContact O-CB 3.19Å; L87-L90 PolarHBondContact O-N 3.17Å; L87-F95 HydrophobicContact CB-CD2 4.19Å; L87-F95 HydrophobicContact CB-CE2 4.14Å; L87-F95 HydrophobicContact CD2-CD2 4.11Å; L87-F95 HydrophobicContact CD2-CE2 4.15Å; L87-T98 HydrophobicContact CD2-CG2 4.22Å; L87-F201 HydrophobicContact CD1-CD2 4.08Å; L87-F201 HydrophobicContact CD1-CE2 3.85Å; L87-F201 HydrophobicContact CD2-CE2 4.23Å; L87-V205 HydrophobicContact CD1-CG2 4.02Å; L87-V208 HydrophobicContact CB-CG2 4.03Å |
| 88 | R | 95.8 | Very high | 95.5 | Very high | 109 Ų | 109 | 63.1 Ų | 63.1 | 41% | 0.411 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -68.9 | -34.2 | 176.7 | -75.5 | 179 | -179.4 | -74.2 | -1.3 | 112.4 | E84 E85 L90 V208 | E84-R88 HydrophobicContact CG-CG 4.28Å; E84-R88 WeakPolarHBondContact O-CB 3.39Å; E84-R88 VanDerWaalsContact O-CG 3.32Å; E84-R88 WeakPolarHBondContact O-CG 3.38Å; E84-R88 PolarHBondContact O-N 3.37Å; E84-R88 IonicContact OE1-CZ 3.5Å; E84-R88 IonicContact OE1-NE 2.99Å; E84-R88 PolarHBondContact OE1-NE 2.91Å; E84-R88 IonicContact OE1-NH2 2.67Å; E84-R88 PolarHBondContact OE1-NH2 3.44Å; E85-R88 PolarHBondContact O-N 3.27Å; R88-L90 PolarHBondContact O-N 2.94Å; R88-V208 HydrophobicContact CG-CG2 3.89Å |
| 89 | G | 94.4 | Very high | 95.9 | Very high | 70 Ų | 70 | 56.7 Ų | 56.7 | 72% | 0.722 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -13.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | E85 T86 | E85-G89 PolarHBondContact O-N 2.93Å; T86-G89 PolarHBondContact O-N 3.33Å |
| 90 | L | 93.3 | Very high | 96.3 | Very high | 55 Ų | 55 | 55.8 Ų | 55.8 | 29% | 0.288 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -80.5 | 130.8 | 175 | -59.9 | 170.5 | 0 | 0 | 0 | 110.6 | T86 L87 R88 F95 T98 | T86-L90 WeakPolarHBondContact O-CG 3.47Å; T86-L90 PolarHBondContact O-N 2.84Å; L87-L90 HydrophobicContact CD2-CD1 4.18Å; L87-L90 WeakPolarHBondContact O-CB 3.19Å; L87-L90 PolarHBondContact O-N 3.17Å; R88-L90 PolarHBondContact O-N 2.94Å; L90-F95 HydrophobicContact CB-CB 3.98Å; L90-T98 HydrophobicContact CD1-CG2 4.04Å; L90-T98 WeakPolarHBondContact CD1-OG1 3.4Å |
| 91 | G | 91.6 | Very high | 96.5 | Very high | 53 Ų | 53 | 56 Ų | 56 | 55% | 0.546 | 31% | 0.314 | S | S | . | . | trans | -59.6 | 163.1 | 162.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | R93 G94 F95 | G91-R93 VanDerWaalsContact C-N 3.33Å; G91-R93 PolarHBondContact O-N 2.96Å; G91-R93 VanDerWaalsContact O-N 3.17Å; G91-G94 PolarHBondContact O-N 3.48Å; G91-F95 PolarHBondContact O-N 3.24Å | ||
| 92 | R | 94.5 | Very high | 96.5 | Very high | 112 Ų | 112 | 55.5 Ų | 55.5 | 42% | 0.423 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -50.8 | -47.2 | -171.6 | -67.4 | -173 | 175.2 | 170.3 | -2.3 | 114.1 | F95 L96 L157 W212 | R92-F95 PolarHBondContact O-N 2.99Å; R92-L96 WeakPolarHBondContact O-CG 3.42Å; R92-L96 PolarHBondContact O-N 3.22Å; R92-L96 VanDerWaalsContact O-N 3.08Å; R92-L157 HydrophobicContact CB-CD1 3.89Å; R92-W212 HydrophobicContact CB-CH2 3.61Å; R92-W212 HydrophobicContact CB-CZ2 3.71Å; R92-W212 HydrophobicContact CB-CZ3 4.32Å; R92-W212 HydrophobicContact CG-CD2 4.33Å; R92-W212 HydrophobicContact CG-CH2 3.85Å; R92-W212 HydrophobicContact CG-CZ2 3.63Å; R92-W212 HydrophobicContact CG-CZ3 4.31Å |
| 93 | R | 93.3 | Very high | 96.6 | Very high | 103 Ų | 103 | 54.3 Ų | 54.3 | 39% | 0.389 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.6 | -50.2 | 177.8 | -178.8 | -175.5 | -65.3 | -74.2 | -6.4 | 111.9 | G91 F95 L96 Q97 D158 | G91-R93 VanDerWaalsContact C-N 3.33Å; G91-R93 PolarHBondContact O-N 2.96Å; G91-R93 VanDerWaalsContact O-N 3.17Å; R93-F95 VanDerWaalsContact C-N 3.26Å; R93-F95 PolarHBondContact O-N 3.1Å; R93-L96 PolarHBondContact O-N 3.35Å; R93-Q97 WeakPolarHBondContact O-CG 3.33Å; R93-Q97 PolarHBondContact O-N 3.35Å; R93-D158 IonicContact CZ-OD1 2.81Å; R93-D158 IonicContact NH1-OD1 3.42Å; R93-D158 PolarHBondContact NH1-OD1 3.34Å; R93-D158 IonicContact NH1-OD2 3.71Å; R93-D158 PolarHBondContact NH1-OD2 3.05Å; R93-D158 IonicContact NH2-OD1 2.77Å; R93-D158 PolarHBondContact NH2-OD1 3.23Å |
| 94 | G | 95.4 | Very high | 96.6 | Very high | 21 Ų | 21 | 52.8 Ų | 52.8 | 22% | 0.216 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.2 | -36.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | G91 T98 | G91-G94 PolarHBondContact O-N 3.48Å; G94-T98 VanDerWaalsContact O-CB 3.31Å; G94-T98 WeakPolarHBondContact O-CB 3.4Å; G94-T98 PolarHBondContact O-N 3.49Å; G94-T98 PolarHBondContact O-OG1 3.04Å |
| 95 | F | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.5 | -51.1 | 173.9 | 173.4 | -100 | 0 | 0 | 0 | 111.9 | L87 L90 G91 R92 R93 Q97 T98 L99 V205 V208 F209 W212 | L87-F95 HydrophobicContact CB-CD2 4.19Å; L87-F95 HydrophobicContact CB-CE2 4.14Å; L87-F95 HydrophobicContact CD2-CD2 4.11Å; L87-F95 HydrophobicContact CD2-CE2 4.15Å; L90-F95 HydrophobicContact CB-CB 3.98Å; G91-F95 PolarHBondContact O-N 3.24Å; R92-F95 PolarHBondContact O-N 2.99Å; R93-F95 VanDerWaalsContact C-N 3.26Å; R93-F95 PolarHBondContact O-N 3.1Å; F95-Q97 VanDerWaalsContact C-N 3.34Å; F95-Q97 PolarHBondContact O-N 3.24Å; F95-T98 PolarHBondContact O-N 3.11Å; F95-L99 HydrophobicContact CE1-CD2 4.25Å; F95-L99 HydrophobicContact CZ-CD2 4.41Å; F95-L99 VanDerWaalsContact O-CB 3.27Å; F95-L99 WeakPolarHBondContact O-CB 3.44Å; F95-L99 PolarHBondContact O-N 3.26Å; F95-V205 HydrophobicContact CZ-CB 4.47Å; F95-V205 HydrophobicContact CZ-CG1 3.97Å; F95-V208 HydrophobicContact CD1-CG1 4.25Å; F95-V208 HydrophobicContact CD2-CB 4.31Å; F95-V208 HydrophobicContact CD2-CG1 3.78Å; F95-V208 HydrophobicContact CD2-CG2 4.42Å; F95-V208 HydrophobicContact CE1-CB 4.5Å; F95-V208 HydrophobicContact CE1-CG1 4.02Å; F95-V208 HydrophobicContact CE2-CB 3.61Å; F95-V208 HydrophobicContact CE2-CG1 3.54Å; F95-V208 HydrophobicContact CE2-CG2 3.85Å; F95-V208 HydrophobicContact CG-CG1 4.12Å; F95-V208 HydrophobicContact CZ-CB 3.71Å; F95-V208 HydrophobicContact CZ-CG1 3.65Å; F95-V208 HydrophobicContact CZ-CG2 4.43Å; F95-F209 HydrophobicContact CD1-CE1 4.39Å; F95-F209 HydrophobicContact CE1-CD1 4.02Å; F95-F209 HydrophobicContact CE1-CD2 4.37Å; F95-F209 AromaticContact CE1-CE1 3.57Å; F95-F209 HydrophobicContact CE1-CE1 3.57Å; F95-F209 AromaticContact CE1-CE2 3.97Å; F95-F209 HydrophobicContact CE1-CE2 3.97Å; F95-F209 HydrophobicContact CE1-CG 4.4Å; F95-F209 AromaticContact CE1-CZ 3.55Å; F95-F209 HydrophobicContact CE1-CZ 3.55Å; F95-F209 HydrophobicContact CZ-CD2 4.39Å; F95-F209 HydrophobicContact CZ-CE1 4.46Å; F95-F209 HydrophobicContact CZ-CE2 4.19Å; F95-F209 HydrophobicContact CZ-CZ 4.23Å; F95-W212 HydrophobicContact CB-CZ2 4.31Å; F95-W212 AromaticContact CD1-CH2 3.94Å; F95-W212 HydrophobicContact CD1-CH2 3.94Å; F95-W212 AromaticContact CD1-CZ2 3.46Å; F95-W212 HydrophobicContact CD1-CZ2 3.46Å; F95-W212 VanDerWaalsContact CD1-CZ2 3.46Å; F95-W212 HydrophobicContact CE1-CZ2 4.1Å; F95-W212 HydrophobicContact CG-CZ2 4.17Å |
| 96 | L | 97.9 | Very high | 96.7 | Very high | 5 Ų | 5 | 48.9 Ų | 48.9 | 3% | 0.026 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.6 | -38.2 | 179.2 | -65 | 172.7 | 0 | 0 | 0 | 112.3 | R92 R93 N100 V150 M153 A154 L157 F209 W212 | R92-L96 WeakPolarHBondContact O-CG 3.42Å; R92-L96 PolarHBondContact O-N 3.22Å; R92-L96 VanDerWaalsContact O-N 3.08Å; R93-L96 PolarHBondContact O-N 3.35Å; L96-N100 WeakPolarHBondContact O-CB 3.49Å; L96-N100 PolarHBondContact O-N 3.25Å; L96-V150 HydrophobicContact CB-CG1 4.13Å; L96-V150 HydrophobicContact CD2-CG1 4.06Å; L96-M153 HydrophobicContact CD1-CB 4.27Å; L96-M153 HydrophobicContact CD1-CG 3.88Å; L96-M153 HydrophobicContact CD2-CG 4.3Å; L96-A154 HydrophobicContact CD1-CB 4.16Å; L96-L157 HydrophobicContact CD1-CD1 3.67Å; L96-F209 HydrophobicContact CD2-CE1 4.05Å; L96-F209 HydrophobicContact CD2-CZ 4.1Å; L96-W212 HydrophobicContact CD1-CH2 4.03Å; L96-W212 HydrophobicContact CD1-CZ3 4.33Å; L96-W212 HydrophobicContact CD2-CH2 3.93Å; L96-W212 HydrophobicContact CD2-CZ3 4.32Å; L96-W212 HydrophobicContact CG-CH2 3.8Å; L96-W212 HydrophobicContact CG-CZ3 4.45Å |
| 97 | Q | 97.1 | Very high | 96.7 | Very high | 117 Ų | 117 | 46 Ų | 46 | 55% | 0.547 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -63.4 | -48.4 | 175.5 | -73.4 | 174.6 | -14.6 | 0 | 0 | 111.5 | R93 F95 L99 N100 A101 | R93-Q97 WeakPolarHBondContact O-CG 3.33Å; R93-Q97 PolarHBondContact O-N 3.35Å; F95-Q97 VanDerWaalsContact C-N 3.34Å; F95-Q97 PolarHBondContact O-N 3.24Å; Q97-L99 VanDerWaalsContact C-N 3.34Å; Q97-L99 PolarHBondContact O-N 2.99Å; Q97-N100 PolarHBondContact O-N 3.4Å; Q97-A101 WeakPolarHBondContact O-CB 3.31Å; Q97-A101 PolarHBondContact O-N 3.11Å |
| 98 | T | 98.2 | Very high | 96.6 | Very high | 43 Ų | 43 | 53 Ų | 53 | 26% | 0.264 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -62.9 | -41.7 | 178.2 | -60.1 | 0 | 0 | 0 | 0 | 111.3 | P82 L87 L90 G94 F95 T102 | P82-T98 HydrophobicContact CG-CG2 4.19Å; L87-T98 HydrophobicContact CD2-CG2 4.22Å; L90-T98 HydrophobicContact CD1-CG2 4.04Å; L90-T98 WeakPolarHBondContact CD1-OG1 3.4Å; G94-T98 VanDerWaalsContact O-CB 3.31Å; G94-T98 WeakPolarHBondContact O-CB 3.4Å; G94-T98 PolarHBondContact O-N 3.49Å; G94-T98 PolarHBondContact O-OG1 3.04Å; F95-T98 PolarHBondContact O-N 3.11Å; T98-T102 VanDerWaalsContact O-CB 3.31Å; T98-T102 WeakPolarHBondContact O-CB 3.38Å; T98-T102 PolarHBondContact O-N 3.45Å; T98-T102 PolarHBondContact O-OG1 3.07Å |
| 99 | L | 98.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.2 | -52.1 | 175.3 | 177 | 57.4 | 0 | 0 | 0 | 110.9 | F95 Q97 A101 T102 L103 V150 F201 V205 F209 | F95-L99 HydrophobicContact CE1-CD2 4.25Å; F95-L99 HydrophobicContact CZ-CD2 4.41Å; F95-L99 VanDerWaalsContact O-CB 3.27Å; F95-L99 WeakPolarHBondContact O-CB 3.44Å; F95-L99 PolarHBondContact O-N 3.26Å; Q97-L99 VanDerWaalsContact C-N 3.34Å; Q97-L99 PolarHBondContact O-N 2.99Å; L99-A101 VanDerWaalsContact C-N 3.34Å; L99-A101 PolarHBondContact O-N 3.01Å; L99-T102 PolarHBondContact O-N 3.38Å; L99-L103 HydrophobicContact CD1-CD1 3.83Å; L99-L103 HydrophobicContact CD1-CD2 4.31Å; L99-L103 HydrophobicContact CD1-CG 3.88Å; L99-L103 HydrophobicContact CG-CD1 3.93Å; L99-L103 HydrophobicContact CG-CG 4.38Å; L99-L103 VanDerWaalsContact O-CG 3.3Å; L99-L103 WeakPolarHBondContact O-CG 3.34Å; L99-L103 PolarHBondContact O-N 3.43Å; L99-V150 HydrophobicContact CD2-CG2 3.54Å; L99-V150 HydrophobicContact CG-CG2 4.12Å; L99-F201 HydrophobicContact CD1-CE1 3.84Å; L99-F201 HydrophobicContact CD1-CZ 3.65Å; L99-V205 HydrophobicContact CD1-CG1 3.96Å; L99-V205 HydrophobicContact CD1-CG2 3.81Å; L99-V205 HydrophobicContact CD2-CG1 3.89Å; L99-F209 HydrophobicContact CD2-CE2 3.79Å; L99-F209 HydrophobicContact CD2-CZ 3.73Å |
| 100 | N | 98.1 | Very high | 96.7 | Very high | 57 Ų | 57 | 48.7 Ų | 48.7 | 31% | 0.305 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -60.7 | -41.8 | -179.6 | -175.5 | 37.6 | 0 | 0 | 0 | 112.3 | L96 Q97 G104 R147 V150 | L96-N100 WeakPolarHBondContact O-CB 3.49Å; L96-N100 PolarHBondContact O-N 3.25Å; Q97-N100 PolarHBondContact O-N 3.4Å; N100-G104 PolarHBondContact O-N 3.36Å; N100-R147 PolarHBondContact OD1-NE 3.05Å; N100-R147 PolarHBondContact OD1-NH2 3.26Å; N100-R147 VanDerWaalsContact OD1-NH2 3.15Å; N100-V150 HydrophobicContact CB-CG1 4.06Å |
| 101 | A | 97.8 | Very high | 96.8 | Very high | 52 Ų | 52 | 47.4 Ų | 47.4 | 43% | 0.43 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -64.1 | -42.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q97 L99 G104 R105 | Q97-A101 WeakPolarHBondContact O-CB 3.31Å; Q97-A101 PolarHBondContact O-N 3.11Å; L99-A101 VanDerWaalsContact C-N 3.34Å; L99-A101 PolarHBondContact O-N 3.01Å; A101-G104 PolarHBondContact O-N 3.36Å; A101-R105 PolarHBondContact O-N 2.97Å; A101-R105 VanDerWaalsContact O-N 3.1Å |
| 102 | T | 98.5 | Very high | 96.8 | Very high | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.006 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -67.2 | -43.6 | 178.5 | -55.5 | 0 | 0 | 0 | 0 | 111.5 | F81 T98 L99 G104 R105 V106 F201 | F81-T102 HydrophobicContact CD1-CG2 3.85Å; F81-T102 HydrophobicContact CE1-CG2 4.17Å; T98-T102 VanDerWaalsContact O-CB 3.31Å; T98-T102 WeakPolarHBondContact O-CB 3.38Å; T98-T102 PolarHBondContact O-N 3.45Å; T98-T102 PolarHBondContact O-OG1 3.07Å; L99-T102 PolarHBondContact O-N 3.38Å; T102-G104 VanDerWaalsContact C-N 3.26Å; T102-G104 PolarHBondContact O-N 3.2Å; T102-R105 PolarHBondContact O-N 2.78Å; T102-R105 VanDerWaalsContact O-N 3.13Å; T102-R105 PolarHBondContact OG1-NH2 2.98Å; T102-V106 WeakPolarHBondContact O-CG2 3.31Å; T102-V106 PolarHBondContact O-N 3.31Å; T102-F201 HydrophobicContact CG2-CD1 4.25Å; T102-F201 HydrophobicContact CG2-CE1 3.72Å; T102-F201 HydrophobicContact CG2-CE2 4.06Å; T102-F201 HydrophobicContact CG2-CZ 3.61Å |
| 103 | L | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.5 | -33.7 | 173.1 | -65.2 | 173.9 | 0 | 0 | 0 | 112 | L99 V106 L107 V143 L146 R147 M202 | L99-L103 HydrophobicContact CD1-CD1 3.83Å; L99-L103 HydrophobicContact CD1-CD2 4.31Å; L99-L103 HydrophobicContact CD1-CG 3.88Å; L99-L103 HydrophobicContact CG-CD1 3.93Å; L99-L103 HydrophobicContact CG-CG 4.38Å; L99-L103 VanDerWaalsContact O-CG 3.3Å; L99-L103 WeakPolarHBondContact O-CG 3.34Å; L99-L103 PolarHBondContact O-N 3.43Å; L103-V106 PolarHBondContact O-N 3.31Å; L103-L107 WeakPolarHBondContact O-CG 3.32Å; L103-L107 PolarHBondContact O-N 2.88Å; L103-V143 HydrophobicContact CB-CG1 4.04Å; L103-V143 HydrophobicContact CD2-CG1 4.09Å; L103-L146 HydrophobicContact CD1-CB 4.42Å; L103-L146 HydrophobicContact CD1-CD2 3.63Å; L103-L146 HydrophobicContact CD1-CG 3.82Å; L103-L146 HydrophobicContact CD2-CD2 4.05Å; L103-L146 HydrophobicContact CG-CD2 4.49Å; L103-R147 HydrophobicContact CB-CG 3.61Å; L103-R147 HydrophobicContact CD1-CG 3.68Å; L103-R147 HydrophobicContact CG-CG 4.3Å; L103-M202 HydrophobicContact CD2-SD 4.15Å |
| 104 | G | 97.6 | Very high | 96.7 | Very high | 11 Ų | 11 | 41.1 Ų | 41.1 | 11% | 0.113 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58.4 | -48.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | N100 A101 T102 L107 H108 | N100-G104 PolarHBondContact O-N 3.36Å; A101-G104 PolarHBondContact O-N 3.36Å; T102-G104 VanDerWaalsContact C-N 3.26Å; T102-G104 PolarHBondContact O-N 3.2Å; G104-L107 PolarHBondContact O-N 3.33Å; G104-H108 PolarHBondContact O-N 2.87Å; G104-H108 PolarHBondContact O-ND1 3.45Å |
| 105 | R | 97.6 | Very high | 96.3 | Very high | 138 Ų | 138 | 47.4 Ų | 47.4 | 52% | 0.521 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -63.1 | -40.9 | 174.8 | -65.4 | -168.3 | -61.2 | -83.5 | -1 | 112 | A101 T102 L107 H108 R109 | A101-R105 PolarHBondContact O-N 2.97Å; A101-R105 VanDerWaalsContact O-N 3.1Å; T102-R105 PolarHBondContact O-N 2.78Å; T102-R105 VanDerWaalsContact O-N 3.13Å; T102-R105 PolarHBondContact OG1-NH2 2.98Å; R105-L107 VanDerWaalsContact C-N 3.33Å; R105-L107 PolarHBondContact O-N 3.38Å; R105-H108 PolarHBondContact O-N 3.48Å; R105-R109 PolarHBondContact O-N 3.1Å; R105-R109 VanDerWaalsContact O-N 3.09Å |
| 106 | V | 98.1 | Very high | 95.8 | Very high | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.006 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -58.1 | -44.5 | 176.3 | 168.2 | 0 | 0 | 0 | 0 | 111.3 | F81 T102 L103 H108 R109 L110 V143 F194 Y198 | F81-V106 HydrophobicContact CE1-CG2 3.74Å; F81-V106 HydrophobicContact CZ-CG2 4.26Å; T102-V106 WeakPolarHBondContact O-CG2 3.31Å; T102-V106 PolarHBondContact O-N 3.31Å; L103-V106 PolarHBondContact O-N 3.31Å; V106-H108 VanDerWaalsContact C-N 3.3Å; V106-H108 PolarHBondContact O-N 3.41Å; V106-R109 PolarHBondContact O-N 3.33Å; V106-L110 HydrophobicContact CG1-CD1 3.74Å; V106-L110 HydrophobicContact CG1-CG 4.05Å; V106-L110 WeakPolarHBondContact O-CB 3.47Å; V106-L110 WeakPolarHBondContact O-CG 3.33Å; V106-L110 PolarHBondContact O-N 2.9Å; V106-V143 HydrophobicContact CG1-CG2 4.21Å; V106-F194 HydrophobicContact CB-CZ 4.32Å; V106-F194 HydrophobicContact CG1-CZ 4.17Å; V106-F194 HydrophobicContact CG2-CE2 4.37Å; V106-F194 HydrophobicContact CG2-CZ 4.18Å; V106-Y198 HydrophobicContact CG1-CD2 3.9Å; V106-Y198 HydrophobicContact CG1-CE2 3.9Å; V106-Y198 HydrophobicContact CG2-CD2 3.87Å; V106-Y198 HydrophobicContact CG2-CE2 4.39Å |
| 107 | L | 98 | Very high | 95.5 | Very high | 17 Ų | 17 | 52.3 Ų | 52.3 | 9% | 0.089 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.7 | -39.1 | 177.7 | -74.3 | 166.2 | 0 | 0 | 0 | 113 | L103 G104 R105 A111 R140 V143 L144 | L103-L107 WeakPolarHBondContact O-CG 3.32Å; L103-L107 PolarHBondContact O-N 2.88Å; G104-L107 PolarHBondContact O-N 3.33Å; R105-L107 VanDerWaalsContact C-N 3.33Å; R105-L107 PolarHBondContact O-N 3.38Å; L107-A111 WeakPolarHBondContact O-CB 3.31Å; L107-A111 PolarHBondContact O-N 3.48Å; L107-R140 HydrophobicContact CD2-CB 4.49Å; L107-R140 HydrophobicContact CD2-CG 3.78Å; L107-V143 HydrophobicContact CD1-CG1 4.11Å; L107-V143 HydrophobicContact CD2-CB 3.88Å; L107-V143 HydrophobicContact CD2-CG1 3.66Å; L107-V143 HydrophobicContact CG-CB 4.37Å; L107-V143 HydrophobicContact CG-CG1 3.59Å; L107-L144 HydrophobicContact CD1-CD2 3.74Å; L107-L144 HydrophobicContact CD1-CG 4.39Å; L107-L144 HydrophobicContact CD2-CD2 4.22Å; L107-L144 HydrophobicContact CD2-CG 4.02Å |
| 108 | H | 96.4 | Very high | 95.1 | Very high | 147 Ų | 147 | 48.2 Ų | 48.2 | 68% | 0.681 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -66.7 | -44.2 | 177.5 | -70.4 | 70.6 | 0 | 0 | 0 | 110.9 | G104 R105 V106 A111 D112 | G104-H108 PolarHBondContact O-N 2.87Å; G104-H108 PolarHBondContact O-ND1 3.45Å; R105-H108 PolarHBondContact O-N 3.48Å; V106-H108 VanDerWaalsContact C-N 3.3Å; V106-H108 PolarHBondContact O-N 3.41Å; H108-A111 PolarHBondContact O-N 3.25Å; H108-D112 PolarHBondContact O-N 3.24Å; H108-D112 VanDerWaalsContact O-N 3.08Å |
| 109 | R | 96.1 | Very high | 94.5 | Very high | 82 Ų | 82 | 53.1 Ų | 53.1 | 31% | 0.309 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -70.8 | -33.6 | 179.1 | -168.3 | 63.4 | 170 | -159.3 | -0 | 112.5 | R105 V106 D112 L113 E190 F194 | R105-R109 PolarHBondContact O-N 3.1Å; R105-R109 VanDerWaalsContact O-N 3.09Å; V106-R109 PolarHBondContact O-N 3.33Å; R109-D112 IonicContact NH1-OD2 3.22Å; R109-D112 PolarHBondContact O-N 3.47Å; R109-L113 VanDerWaalsContact O-CG 3.32Å; R109-L113 WeakPolarHBondContact O-CG 3.35Å; R109-L113 PolarHBondContact O-N 2.95Å; R109-E190 IonicContact NH2-OE2 2.67Å; R109-E190 PolarHBondContact NH2-OE2 3.38Å; R109-F194 HydrophobicContact CB-CD2 4.36Å; R109-F194 HydrophobicContact CB-CE1 3.96Å; R109-F194 HydrophobicContact CB-CE2 3.76Å; R109-F194 HydrophobicContact CB-CZ 3.55Å; R109-F194 HydrophobicContact CG-CD1 3.76Å; R109-F194 HydrophobicContact CG-CD2 3.76Å; R109-F194 HydrophobicContact CG-CE1 3.69Å; R109-F194 HydrophobicContact CG-CE2 3.69Å; R109-F194 HydrophobicContact CG-CG 3.79Å; R109-F194 HydrophobicContact CG-CZ 3.66Å |
| 110 | L | 96.6 | Very high | 93.9 | Very high | 7 Ų | 7 | 55.9 Ų | 55.9 | 4% | 0.037 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.2 | -43.5 | 171.5 | -75 | 175.1 | 0 | 0 | 0 | 111.3 | L55 V106 D112 L113 E114 A139 V143 F194 L195 | L55-L110 HydrophobicContact CD2-CD2 4.39Å; V106-L110 HydrophobicContact CG1-CD1 3.74Å; V106-L110 HydrophobicContact CG1-CG 4.05Å; V106-L110 WeakPolarHBondContact O-CB 3.47Å; V106-L110 WeakPolarHBondContact O-CG 3.33Å; V106-L110 PolarHBondContact O-N 2.9Å; L110-D112 VanDerWaalsContact C-N 3.31Å; L110-D112 PolarHBondContact O-N 2.94Å; L110-L113 PolarHBondContact O-N 3.09Å; L110-E114 WeakPolarHBondContact O-CB 3.33Å; L110-E114 VanDerWaalsContact O-CG 3.3Å; L110-E114 WeakPolarHBondContact O-CG 3.3Å; L110-E114 PolarHBondContact O-N 2.85Å; L110-A139 HydrophobicContact CD1-CB 3.97Å; L110-A139 HydrophobicContact CD2-CB 4.12Å; L110-V143 HydrophobicContact CD1-CG2 4.1Å; L110-F194 HydrophobicContact CD2-CE1 4.4Å; L110-L195 HydrophobicContact CD2-CD2 4Å |
| 111 | A | 94.6 | Very high | 93.2 | Very high | 29 Ų | 29 | 61.5 Ų | 61.5 | 24% | 0.24 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62 | -39.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L107 H108 Q115 | L107-A111 WeakPolarHBondContact O-CB 3.31Å; L107-A111 PolarHBondContact O-N 3.48Å; H108-A111 PolarHBondContact O-N 3.25Å; A111-Q115 WeakPolarHBondContact O-CG 2.93Å; A111-Q115 PolarHBondContact O-N 2.83Å |
| 112 | D | 92.8 | Very high | 92.6 | Very high | 57 Ų | 57 | 62.7 Ų | 62.7 | 31% | 0.305 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -63.6 | -44.4 | 172.9 | 177.4 | 50.7 | 0 | 0 | 0 | 111.8 | H108 R109 L110 E114 Q115 H116 | H108-D112 PolarHBondContact O-N 3.24Å; H108-D112 VanDerWaalsContact O-N 3.08Å; R109-D112 IonicContact NH1-OD2 3.22Å; R109-D112 PolarHBondContact O-N 3.47Å; L110-D112 VanDerWaalsContact C-N 3.31Å; L110-D112 PolarHBondContact O-N 2.94Å; D112-E114 PolarHBondContact O-N 3.32Å; D112-Q115 PolarHBondContact O-N 2.94Å; D112-H116 PolarHBondContact O-ND1 3.22Å; D112-H116 IonicContact OD1-CE1 3.91Å; D112-H116 PolarHBondContact OD1-CE1 3.18Å; D112-H116 IonicContact OD1-ND1 2.77Å |
| 113 | L | 92.9 | Very high | 91.9 | Very high | 14 Ų | 14 | 62.9 Ų | 62.9 | 7% | 0.073 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.6 | -41.8 | 176.4 | -70.8 | 174.4 | 0 | 0 | 0 | 112.6 | Y59 R109 L110 Q115 H116 L117 F194 L195 | Y59-L113 HydrophobicContact CE2-CD2 4.13Å; R109-L113 VanDerWaalsContact O-CG 3.32Å; R109-L113 WeakPolarHBondContact O-CG 3.35Å; R109-L113 PolarHBondContact O-N 2.95Å; L110-L113 PolarHBondContact O-N 3.09Å; L113-Q115 VanDerWaalsContact C-N 3.25Å; L113-Q115 PolarHBondContact O-N 3.48Å; L113-H116 CarbonylContact O-C 3.55Å; L113-H116 PolarHBondContact O-N 2.85Å; L113-L117 PolarHBondContact O-N 2.93Å; L113-F194 HydrophobicContact CD1-CD1 3.74Å; L113-F194 HydrophobicContact CD1-CE1 4.03Å; L113-L195 HydrophobicContact CD1-CD2 4.26Å; L113-L195 HydrophobicContact CD1-CG 4.23Å |
| 114 | E | 91.3 | Very high | 91 | Very high | 64 Ų | 64 | 71.5 Ų | 71.5 | 30% | 0.299 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -57.2 | -36.8 | 178 | -78.2 | 169.2 | -167 | 0 | 0 | 112.1 | L110 D112 H116 L117 | L110-E114 WeakPolarHBondContact O-CB 3.33Å; L110-E114 VanDerWaalsContact O-CG 3.3Å; L110-E114 WeakPolarHBondContact O-CG 3.3Å; L110-E114 PolarHBondContact O-N 2.85Å; D112-E114 PolarHBondContact O-N 3.32Å; E114-H116 PolarHBondContact O-N 3.04Å; E114-L117 PolarHBondContact O-N 3.13Å |
| 115 | Q | 88.6 | Confident | 90.3 | Very high | 153 Ų | 153 | 82 Ų | 82 | 72% | 0.715 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -64.2 | -22 | 176.7 | -70.3 | 175.1 | 5.1 | 0 | 0 | 113.5 | A111 D112 L113 | A111-Q115 WeakPolarHBondContact O-CG 2.93Å; A111-Q115 PolarHBondContact O-N 2.83Å; D112-Q115 PolarHBondContact O-N 2.94Å; L113-Q115 VanDerWaalsContact C-N 3.25Å; L113-Q115 PolarHBondContact O-N 3.48Å |
| 116 | H | 87.6 | Confident | 89.6 | Confident | 84 Ų | 84 | 79 Ų | 79 | 39% | 0.389 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.7 | 9.1 | -176.1 | -58.9 | 96.9 | 0 | 0 | 0 | 112.8 | Q63 D112 L113 E114 R187 | Q63-H116 PolarHBondContact NE2-O 2.85Å; D112-H116 PolarHBondContact O-ND1 3.22Å; D112-H116 IonicContact OD1-CE1 3.91Å; D112-H116 PolarHBondContact OD1-CE1 3.18Å; D112-H116 IonicContact OD1-ND1 2.77Å; L113-H116 CarbonylContact O-C 3.55Å; L113-H116 PolarHBondContact O-N 2.85Å; E114-H116 PolarHBondContact O-N 3.04Å; H116-R187 PolarHBondContact CD2-NH1 3.34Å; H116-R187 PolarHBondContact NE2-NH1 3.07Å |
| 117 | L | 90.4 | Very high | 88.8 | Confident | 25 Ų | 25 | 82.3 Ų | 82.3 | 13% | 0.131 | 42% | 0.42 | C | S | . | . | S | Bend | trans | -78.5 | 148 | 171.9 | -70.5 | 177.6 | 0 | 0 | 0 | 110.8 | Y59 I62 L113 E114 K119 L133 L136 | Y59-L117 HydrophobicContact CD2-CD2 4.14Å; Y59-L117 HydrophobicContact CE2-CD2 4.18Å; I62-L117 HydrophobicContact CG2-CD2 4Å; L113-L117 PolarHBondContact O-N 2.93Å; E114-L117 PolarHBondContact O-N 3.13Å; L117-K119 PolarHBondContact O-N 3.23Å; L117-L133 HydrophobicContact CB-CD1 4.41Å; L117-L133 HydrophobicContact CD1-CD1 4.13Å; L117-L136 HydrophobicContact CD1-CB 4.07Å; L117-L136 HydrophobicContact CD1-CD1 3.89Å; L117-L136 HydrophobicContact CD2-CD1 3.84Å |
| 118 | P | 88 | Confident | 88.3 | Confident | 31 Ų | 31 | 83.9 Ų | 83.9 | 20% | 0.201 | 43% | 0.428 | C | S | . | . | P | Polyproline II helix | trans | -56.6 | 138.7 | 169.3 | -24 | 35.4 | 0 | 0 | 0 | 111.1 | I62 L123 L128 | I62-P118 HydrophobicContact CG1-CG 4.18Å; P118-L123 HydrophobicContact CB-CD2 3.76Å; P118-L128 HydrophobicContact CB-CD1 4.12Å; P118-L128 HydrophobicContact CG-CD1 3.88Å |
| 119 | K | 87.3 | Confident | 87.9 | Confident | 146 Ų | 146 | 80.4 Ų | 80.4 | 64% | 0.635 | 41% | 0.414 | S | S | * | . | P | Polyproline II helix | trans | -76.3 | 151 | 177.8 | -61.7 | 178.4 | 179.5 | 175.2 | 0 | 109.8 | L117 Q121 D122 L123 | L117-K119 PolarHBondContact O-N 3.23Å; K119-Q121 PolarHBondContact O-N 3.22Å; K119-Q121 VanDerWaalsContact O-N 3.11Å; K119-D122 WeakPolarHBondContact O-CB 3.34Å; K119-D122 PolarHBondContact O-N 2.68Å; K119-L123 PolarHBondContact O-N 2.98Å |
| 120 | A | 85.4 | Confident | 87.7 | Confident | 58 Ų | 58 | 80.5 Ų | 80.5 | 48% | 0.479 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -51.8 | -38.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | D122 L123 I130 L133 | A120-D122 VanDerWaalsContact C-N 3.27Å; A120-D122 PolarHBondContact O-N 2.92Å; A120-L123 PolarHBondContact O-N 3.26Å; A120-I130 HydrophobicContact CB-CD1 4.24Å; A120-L133 HydrophobicContact CB-CD2 4.09Å |
| 121 | Q | 83.3 | Confident | 87.5 | Confident | 174 Ų | 174 | 84.5 Ų | 84.5 | 81% | 0.813 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -66.2 | -27.3 | 178.4 | -62.8 | 171.8 | 8.4 | 0 | 0 | 113.1 | K119 | K119-Q121 PolarHBondContact O-N 3.22Å; K119-Q121 VanDerWaalsContact O-N 3.11Å |
| 122 | D | 84.4 | Confident | 87.4 | Confident | 78 Ų | 78 | 83.4 Ų | 83.4 | 42% | 0.417 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -90.2 | -12.5 | -178.1 | -58 | -40.4 | 0 | 0 | 0 | 112.2 | K119 A120 S126 | K119-D122 WeakPolarHBondContact O-CB 3.34Å; K119-D122 PolarHBondContact O-N 2.68Å; A120-D122 VanDerWaalsContact C-N 3.27Å; A120-D122 PolarHBondContact O-N 2.92Å; D122-S126 VanDerWaalsContact O-CB 3.24Å; D122-S126 WeakPolarHBondContact O-CB 3.36Å; D122-S126 PolarHBondContact O-N 2.97Å; D122-S126 VanDerWaalsContact O-N 3.07Å; D122-S126 PolarHBondContact O-OG 2.85Å |
| 123 | L | 85.1 | Confident | 87.4 | Confident | 4 Ų | 4 | 81.2 Ų | 81.2 | 2% | 0.021 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -67.2 | -46.9 | -175.5 | -65.2 | 179.6 | 0 | 0 | 0 | 112.4 | I62 P118 K119 A120 R125 S126 G127 L128 I130 L133 | I62-L123 HydrophobicContact CD1-CD2 3.9Å; I62-L123 HydrophobicContact CG1-CD2 4.12Å; P118-L123 HydrophobicContact CB-CD2 3.76Å; K119-L123 PolarHBondContact O-N 2.98Å; A120-L123 PolarHBondContact O-N 3.26Å; L123-R125 VanDerWaalsContact C-N 3.33Å; L123-R125 PolarHBondContact O-N 3.21Å; L123-S126 CarbonylContact O-C 3.45Å; L123-S126 PolarHBondContact O-N 3.37Å; L123-S126 VanDerWaalsContact O-N 3.09Å; L123-G127 PolarHBondContact O-N 3.15Å; L123-L128 HydrophobicContact CB-CB 4.27Å; L123-L128 HydrophobicContact CD2-CB 3.61Å; L123-L128 HydrophobicContact CD2-CD1 3.93Å; L123-L128 HydrophobicContact CD2-CG 4.43Å; L123-L128 PolarHBondContact O-N 3.34Å; L123-I130 HydrophobicContact CD1-CB 4.36Å; L123-I130 HydrophobicContact CD1-CD1 3.6Å; L123-L133 HydrophobicContact CD1-CB 4.03Å; L123-L133 HydrophobicContact CD1-CD2 3.77Å |
| 124 | E | 79.1 | Confident | 87.4 | Confident | 181 Ų | 181 | 85.6 Ų | 85.6 | 85% | 0.846 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -44 | -178.7 | -172.9 | 176.1 | -168.8 | 0 | 0 | 110.9 | S126 G127 | E124-S126 VanDerWaalsContact C-N 3.26Å; E124-S126 PolarHBondContact O-N 3.37Å; E124-G127 PolarHBondContact O-N 2.89Å |
| 125 | R | 81.9 | Confident | 87.6 | Confident | 232 Ų | 232 | 85.5 Ų | 85.5 | 88% | 0.875 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -31.1 | 175.8 | -171.1 | 177.3 | -177.3 | 134.8 | 2.4 | 112.9 | L123 | L123-R125 VanDerWaalsContact C-N 3.33Å; L123-R125 PolarHBondContact O-N 3.21Å |
| 126 | S | 83.1 | Confident | 87.9 | Confident | 74 Ų | 74 | 78.6 Ų | 78.6 | 52% | 0.517 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | 0.1 | -178.1 | -52.9 | 0 | 0 | 0 | 0 | 113.3 | D122 L123 E124 L128 | D122-S126 VanDerWaalsContact O-CB 3.24Å; D122-S126 WeakPolarHBondContact O-CB 3.36Å; D122-S126 PolarHBondContact O-N 2.97Å; D122-S126 VanDerWaalsContact O-N 3.07Å; D122-S126 PolarHBondContact O-OG 2.85Å; L123-S126 CarbonylContact O-C 3.45Å; L123-S126 PolarHBondContact O-N 3.37Å; L123-S126 VanDerWaalsContact O-N 3.09Å; E124-S126 VanDerWaalsContact C-N 3.26Å; E124-S126 PolarHBondContact O-N 3.37Å; S126-L128 PolarHBondContact O-N 2.89Å |
| 127 | G | 82.1 | Confident | 88.2 | Confident | 72 Ų | 72 | 79.8 Ų | 79.8 | 74% | 0.742 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.7 | 24.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | L123 E124 | L123-G127 PolarHBondContact O-N 3.15Å; E124-G127 PolarHBondContact O-N 2.89Å |
| 128 | L | 86.9 | Confident | 88.4 | Confident | 50 Ų | 50 | 83.4 Ų | 83.4 | 26% | 0.262 | 43% | 0.427 | S | S | . | . | trans | -94.3 | 150.1 | -177.4 | -63.8 | 177.5 | 0 | 0 | 0 | 111.6 | I62 P118 L123 S126 | I62-L128 HydrophobicContact CG1-CB 4.46Å; I62-L128 HydrophobicContact CG1-CD1 4.06Å; I62-L128 WeakPolarHBondContact O-CD1 3.37Å; P118-L128 HydrophobicContact CB-CD1 4.12Å; P118-L128 HydrophobicContact CG-CD1 3.88Å; L123-L128 HydrophobicContact CB-CB 4.27Å; L123-L128 HydrophobicContact CD2-CB 3.61Å; L123-L128 HydrophobicContact CD2-CD1 3.93Å; L123-L128 HydrophobicContact CD2-CG 4.43Å; L123-L128 PolarHBondContact O-N 3.34Å; S126-L128 PolarHBondContact O-N 2.89Å | ||
| 129 | N | 88.4 | Confident | 88.8 | Confident | 73 Ų | 73 | 82.2 Ų | 82.2 | 39% | 0.39 | 42% | 0.42 | S | S | . | . | trans | -83.5 | 124.9 | -175.4 | -172.3 | -7.1 | 0 | 0 | 0 | 112.1 | E131 D132 | N129-E131 VanDerWaalsContact C-N 3.29Å; N129-E131 PolarHBondContact O-N 2.99Å; N129-E131 VanDerWaalsContact OD1-CB 3.3Å; N129-E131 WeakPolarHBondContact OD1-CB 3.36Å; N129-E131 PolarHBondContact OD1-N 2.99Å; N129-D132 PolarHBondContact O-N 3.36Å | ||
| 130 | I | 91.6 | Very high | 89.2 | Confident | 85 Ų | 85 | 80.9 Ų | 80.9 | 44% | 0.436 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -61.9 | -34.1 | 175.2 | -170.8 | 64.8 | 0 | 0 | 0 | 112.8 | A120 L123 D132 L133 E134 | A120-I130 HydrophobicContact CB-CD1 4.24Å; L123-I130 HydrophobicContact CD1-CB 4.36Å; L123-I130 HydrophobicContact CD1-CD1 3.6Å; I130-D132 PolarHBondContact O-N 2.98Å; I130-L133 HydrophobicContact CD1-CD2 4.29Å; I130-L133 WeakPolarHBondContact O-CB 3.31Å; I130-L133 PolarHBondContact O-N 3.36Å; I130-E134 PolarHBondContact O-N 3.34Å |
| 131 | E | 92.4 | Very high | 89.7 | Confident | 90 Ų | 90 | 81.4 Ų | 81.4 | 42% | 0.421 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -62 | -32.4 | 178.9 | -166.6 | -164.4 | 154.9 | 0 | 0 | 111.5 | N129 E134 K135 | N129-E131 VanDerWaalsContact C-N 3.29Å; N129-E131 PolarHBondContact O-N 2.99Å; N129-E131 VanDerWaalsContact OD1-CB 3.3Å; N129-E131 WeakPolarHBondContact OD1-CB 3.36Å; N129-E131 PolarHBondContact OD1-N 2.99Å; E131-E134 PolarHBondContact O-N 3.08Å; E131-K135 WeakPolarHBondContact O-CG 3.3Å; E131-K135 PolarHBondContact O-N 3.23Å; E131-K135 WeakPolarHBondContact OE1-CE 3.19Å; E131-K135 IonicContact OE1-NZ 2.68Å; E131-K135 PolarHBondContact OE1-NZ 3.28Å |
| 132 | D | 93.7 | Very high | 90.4 | Very high | 6 Ų | 6 | 76.8 Ų | 76.8 | 3% | 0.032 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -68.6 | -40 | 175.7 | -75.2 | -27.5 | 0 | 0 | 0 | 111.1 | P58 R61 N129 I130 K135 L136 | P58-D132 HydrophobicContact CB-CB 3.86Å; R61-D132 IonicContact CZ-OD1 3.33Å; R61-D132 IonicContact CZ-OD2 2.84Å; R61-D132 IonicContact NE-OD1 3.56Å; R61-D132 PolarHBondContact NE-OD1 3.34Å; R61-D132 IonicContact NE-OD2 3.83Å; R61-D132 PolarHBondContact NE-OD2 3.38Å; R61-D132 IonicContact NH2-OD1 3.32Å; R61-D132 PolarHBondContact NH2-OD1 3.2Å; R61-D132 IonicContact NH2-OD2 3.33Å; N129-D132 PolarHBondContact O-N 3.36Å; I130-D132 PolarHBondContact O-N 2.98Å; D132-K135 PolarHBondContact O-N 3.41Å; D132-L136 WeakPolarHBondContact O-CD1 3.49Å; D132-L136 WeakPolarHBondContact O-CG 3.32Å; D132-L136 PolarHBondContact O-N 3.48Å; D132-L136 VanDerWaalsContact O-N 3.11Å |
| 133 | L | 93.1 | Very high | 91 | Very high | 11 Ų | 11 | 73 Ų | 73 | 6% | 0.058 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -64.5 | -42.7 | 175 | -175.8 | 62.2 | 0 | 0 | 0 | 111.6 | I62 L117 A120 L123 I130 K135 L136 Q137 | I62-L133 HydrophobicContact CD1-CB 3.87Å; I62-L133 HydrophobicContact CD1-CD1 4.15Å; L117-L133 HydrophobicContact CB-CD1 4.41Å; L117-L133 HydrophobicContact CD1-CD1 4.13Å; A120-L133 HydrophobicContact CB-CD2 4.09Å; L123-L133 HydrophobicContact CD1-CB 4.03Å; L123-L133 HydrophobicContact CD1-CD2 3.77Å; I130-L133 HydrophobicContact CD1-CD2 4.29Å; I130-L133 WeakPolarHBondContact O-CB 3.31Å; I130-L133 PolarHBondContact O-N 3.36Å; L133-K135 PolarHBondContact O-N 3.45Å; L133-L136 WeakPolarHBondContact O-CB 3.42Å; L133-L136 PolarHBondContact O-N 3.08Å; L133-Q137 WeakPolarHBondContact O-CG 3.45Å; L133-Q137 PolarHBondContact O-N 2.92Å |
| 134 | E | 92.8 | Very high | 91.6 | Very high | 106 Ų | 106 | 76.3 Ų | 76.3 | 50% | 0.495 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -61.7 | -43.2 | 177.4 | -69.6 | 177.9 | 164.6 | 0 | 0 | 111.8 | I130 E131 L136 Q137 M138 | I130-E134 PolarHBondContact O-N 3.34Å; E131-E134 PolarHBondContact O-N 3.08Å; E134-L136 VanDerWaalsContact C-N 3.32Å; E134-L136 PolarHBondContact O-N 3.41Å; E134-Q137 PolarHBondContact O-N 3.2Å; E134-M138 WeakPolarHBondContact O-CG 3.46Å; E134-M138 PolarHBondContact O-N 3.29Å |
| 135 | K | 94.5 | Very high | 92.4 | Very high | 62 Ų | 62 | 68.7 Ų | 68.7 | 27% | 0.27 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -58.6 | -43.9 | 174.1 | -75.9 | 170.7 | -174 | 160.6 | 0 | 111.8 | P58 E131 D132 L133 Q137 M138 | P58-K135 HydrophobicContact CB-CB 4.29Å; P58-K135 HydrophobicContact CG-CB 3.96Å; P58-K135 HydrophobicContact CG-CD 3.7Å; P58-K135 HydrophobicContact CG-CG 4.48Å; E131-K135 WeakPolarHBondContact O-CG 3.3Å; E131-K135 PolarHBondContact O-N 3.23Å; E131-K135 WeakPolarHBondContact OE1-CE 3.19Å; E131-K135 IonicContact OE1-NZ 2.68Å; E131-K135 PolarHBondContact OE1-NZ 3.28Å; D132-K135 PolarHBondContact O-N 3.41Å; L133-K135 PolarHBondContact O-N 3.45Å; K135-Q137 VanDerWaalsContact C-N 3.34Å; K135-Q137 PolarHBondContact O-N 3.03Å; K135-M138 PolarHBondContact O-N 3.44Å |
| 136 | L | 94.8 | Very high | 93.1 | Very high | 8 Ų | 8 | 57.7 Ų | 57.7 | 4% | 0.042 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62 | -41.3 | 177.6 | -68.5 | 167.8 | 0 | 0 | 0 | 111.9 | L55 P58 Y59 I62 L117 D132 L133 E134 M138 A139 | L55-L136 HydrophobicContact CD1-CD2 3.53Å; L55-L136 WeakPolarHBondContact O-CD2 3.46Å; P58-L136 HydrophobicContact CB-CD2 4.37Å; P58-L136 HydrophobicContact CB-CG 4.21Å; Y59-L136 HydrophobicContact CD2-CD2 4.38Å; I62-L136 HydrophobicContact CB-CD1 4.49Å; I62-L136 HydrophobicContact CD1-CD1 4.19Å; I62-L136 HydrophobicContact CG2-CD1 3.67Å; L117-L136 HydrophobicContact CD1-CB 4.07Å; L117-L136 HydrophobicContact CD1-CD1 3.89Å; L117-L136 HydrophobicContact CD2-CD1 3.84Å; D132-L136 WeakPolarHBondContact O-CD1 3.49Å; D132-L136 WeakPolarHBondContact O-CG 3.32Å; D132-L136 PolarHBondContact O-N 3.48Å; D132-L136 VanDerWaalsContact O-N 3.11Å; L133-L136 WeakPolarHBondContact O-CB 3.42Å; L133-L136 PolarHBondContact O-N 3.08Å; E134-L136 VanDerWaalsContact C-N 3.32Å; E134-L136 PolarHBondContact O-N 3.41Å; L136-M138 PolarHBondContact O-N 3.04Å; L136-A139 VanDerWaalsContact O-CB 3.25Å; L136-A139 WeakPolarHBondContact O-CB 3.43Å; L136-A139 PolarHBondContact O-N 3.49Å; L136-A139 VanDerWaalsContact O-N 3.1Å |
| 137 | Q | 93.1 | Very high | 93.8 | Very high | 110 Ų | 110 | 57.8 Ų | 57.8 | 51% | 0.514 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.8 | -24 | 178.5 | -72.2 | 172.2 | -5.4 | 0 | 0 | 113.2 | L133 E134 K135 A139 P141 | L133-Q137 WeakPolarHBondContact O-CG 3.45Å; L133-Q137 PolarHBondContact O-N 2.92Å; E134-Q137 PolarHBondContact O-N 3.2Å; K135-Q137 VanDerWaalsContact C-N 3.34Å; K135-Q137 PolarHBondContact O-N 3.03Å; Q137-A139 VanDerWaalsContact C-N 3.29Å; Q137-A139 PolarHBondContact O-N 3.02Å; Q137-P141 WeakPolarHBondContact O-CD 3.3Å |
| 138 | M | 95.1 | Very high | 94.5 | Very high | 100 Ų | 100 | 57.8 Ų | 57.8 | 49% | 0.493 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -14.3 | 176.4 | -65.6 | -56.7 | -62.9 | 0 | 0 | 113.7 | E134 K135 L136 R140 P141 N142 | E134-M138 WeakPolarHBondContact O-CG 3.46Å; E134-M138 PolarHBondContact O-N 3.29Å; K135-M138 PolarHBondContact O-N 3.44Å; L136-M138 PolarHBondContact O-N 3.04Å; M138-R140 PolarHBondContact O-N 3.49Å; M138-P141 WeakPolarHBondContact O-CD 3.32Å; M138-N142 VanDerWaalsContact O-CB 3.31Å; M138-N142 WeakPolarHBondContact O-CB 3.45Å; M138-N142 PolarHBondContact O-N 3.02Å; M138-N142 VanDerWaalsContact O-N 3.08Å; M138-N142 PolarHBondContact O-ND2 3.46Å; M138-N142 VanDerWaalsContact O-ND2 3.08Å |
| 139 | A | 95.9 | Very high | 94.9 | Very high | 7 Ų | 7 | 56.6 Ų | 56.6 | 6% | 0.058 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.2 | -50.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L55 L110 L136 Q137 N142 V143 | L55-A139 HydrophobicContact CD1-CB 3.69Å; L55-A139 HydrophobicContact CD2-CB 3.95Å; L55-A139 HydrophobicContact CG-CB 4.44Å; L110-A139 HydrophobicContact CD1-CB 3.97Å; L110-A139 HydrophobicContact CD2-CB 4.12Å; L136-A139 VanDerWaalsContact O-CB 3.25Å; L136-A139 WeakPolarHBondContact O-CB 3.43Å; L136-A139 PolarHBondContact O-N 3.49Å; L136-A139 VanDerWaalsContact O-N 3.1Å; Q137-A139 VanDerWaalsContact C-N 3.29Å; Q137-A139 PolarHBondContact O-N 3.02Å; A139-N142 PolarHBondContact O-N 2.97Å; A139-V143 VanDerWaalsContact O-CG2 3.31Å; A139-V143 WeakPolarHBondContact O-CG2 3.28Å; A139-V143 PolarHBondContact O-N 3.01Å |
| 140 | R | 96.6 | Very high | 95.3 | Very high | 118 Ų | 118 | 53.3 Ų | 53.3 | 45% | 0.445 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -65.6 | -48.6 | -177 | -177.8 | 178.8 | -179.8 | -170.9 | -1.4 | 112.8 | L107 M138 N142 V143 L144 | L107-R140 HydrophobicContact CD2-CB 4.49Å; L107-R140 HydrophobicContact CD2-CG 3.78Å; M138-R140 PolarHBondContact O-N 3.49Å; R140-N142 VanDerWaalsContact C-N 3.33Å; R140-N142 PolarHBondContact O-N 3.34Å; R140-V143 PolarHBondContact O-N 3.39Å; R140-L144 HydrophobicContact CG-CD1 4.25Å; R140-L144 WeakPolarHBondContact O-CG 3.46Å; R140-L144 PolarHBondContact O-N 3.46Å |
| 141 | P | 96.3 | Very high | 95.5 | Very high | 68 Ų | 68 | 53.9 Ų | 53.9 | 44% | 0.442 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -56 | -42.6 | 172.2 | -26.2 | 34 | 0 | 0 | 0 | 113.7 | Q137 M138 L144 G145 | Q137-P141 WeakPolarHBondContact O-CD 3.3Å; M138-P141 WeakPolarHBondContact O-CD 3.32Å; P141-L144 PolarHBondContact O-N 3.14Å; P141-G145 PolarHBondContact O-N 3.25Å |
| 142 | N | 96.9 | Very high | 95.6 | Very high | 77 Ų | 77 | 50 Ų | 50 | 41% | 0.412 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -64 | -43.8 | 179.4 | -72.6 | -22 | 0 | 0 | 0 | 112 | M138 A139 R140 G145 L146 | M138-N142 VanDerWaalsContact O-CB 3.31Å; M138-N142 WeakPolarHBondContact O-CB 3.45Å; M138-N142 PolarHBondContact O-N 3.02Å; M138-N142 VanDerWaalsContact O-N 3.08Å; M138-N142 PolarHBondContact O-ND2 3.46Å; M138-N142 VanDerWaalsContact O-ND2 3.08Å; A139-N142 PolarHBondContact O-N 2.97Å; R140-N142 VanDerWaalsContact C-N 3.33Å; R140-N142 PolarHBondContact O-N 3.34Å; N142-G145 PolarHBondContact O-N 3.18Å; N142-L146 PolarHBondContact O-N 3.32Å |
| 143 | V | 97.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.8 | -40.9 | 176.8 | 173.8 | 0 | 0 | 0 | 0 | 111.3 | M49 L103 V106 L107 L110 A139 R140 L146 R147 Y198 | M49-V143 HydrophobicContact CE-CB 4.49Å; M49-V143 HydrophobicContact CE-CG2 3.84Å; L103-V143 HydrophobicContact CB-CG1 4.04Å; L103-V143 HydrophobicContact CD2-CG1 4.09Å; V106-V143 HydrophobicContact CG1-CG2 4.21Å; L107-V143 HydrophobicContact CD1-CG1 4.11Å; L107-V143 HydrophobicContact CD2-CB 3.88Å; L107-V143 HydrophobicContact CD2-CG1 3.66Å; L107-V143 HydrophobicContact CG-CB 4.37Å; L107-V143 HydrophobicContact CG-CG1 3.59Å; L110-V143 HydrophobicContact CD1-CG2 4.1Å; A139-V143 VanDerWaalsContact O-CG2 3.31Å; A139-V143 WeakPolarHBondContact O-CG2 3.28Å; A139-V143 PolarHBondContact O-N 3.01Å; R140-V143 PolarHBondContact O-N 3.39Å; V143-L146 PolarHBondContact O-N 3.07Å; V143-R147 WeakPolarHBondContact O-CG 3.35Å; V143-R147 PolarHBondContact O-N 3.48Å; V143-Y198 HydrophobicContact CG2-CE2 4.42Å |
| 144 | L | 97.2 | Very high | 95.6 | Very high | 72 Ų | 72 | 50.6 Ų | 50.6 | 38% | 0.377 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -62 | -44.9 | 174.3 | -72.1 | 169 | 0 | 0 | 0 | 111.8 | L107 R140 P141 L146 R147 N148 | L107-L144 HydrophobicContact CD1-CD2 3.74Å; L107-L144 HydrophobicContact CD1-CG 4.39Å; L107-L144 HydrophobicContact CD2-CD2 4.22Å; L107-L144 HydrophobicContact CD2-CG 4.02Å; R140-L144 HydrophobicContact CG-CD1 4.25Å; R140-L144 WeakPolarHBondContact O-CG 3.46Å; R140-L144 PolarHBondContact O-N 3.46Å; P141-L144 PolarHBondContact O-N 3.14Å; L144-L146 VanDerWaalsContact C-N 3.32Å; L144-L146 PolarHBondContact O-N 3.21Å; L144-R147 PolarHBondContact O-N 2.77Å; L144-N148 PolarHBondContact O-N 3.32Å |
| 145 | G | 96.1 | Very high | 95.5 | Very high | 22 Ų | 22 | 48.8 Ų | 48.8 | 23% | 0.227 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58.5 | -42.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | P141 N142 N148 N149 | P141-G145 PolarHBondContact O-N 3.25Å; N142-G145 PolarHBondContact O-N 3.18Å; G145-N148 PolarHBondContact O-N 3.06Å; G145-N149 PolarHBondContact O-N 2.94Å |
| 146 | L | 97.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.1 | -43.9 | 174.7 | 179.5 | 62.9 | 0 | 0 | 0 | 111.9 | L42 Q45 T46 M49 L103 N142 V143 L144 N148 N149 V150 M202 | L42-L146 HydrophobicContact CD2-CD1 3.59Å; Q45-L146 HydrophobicContact CB-CD1 4.22Å; T46-L146 HydrophobicContact CG2-CD1 4.3Å; T46-L146 HydrophobicContact CG2-CD2 4.38Å; M49-L146 HydrophobicContact CE-CB 4.08Å; M49-L146 HydrophobicContact CE-CD2 3.55Å; M49-L146 HydrophobicContact CE-CG 4.44Å; M49-L146 HydrophobicContact SD-CB 4.08Å; M49-L146 HydrophobicContact SD-CD2 3.73Å; M49-L146 HydrophobicContact SD-CG 4.42Å; L103-L146 HydrophobicContact CD1-CB 4.42Å; L103-L146 HydrophobicContact CD1-CD2 3.63Å; L103-L146 HydrophobicContact CD1-CG 3.82Å; L103-L146 HydrophobicContact CD2-CD2 4.05Å; L103-L146 HydrophobicContact CG-CD2 4.49Å; N142-L146 PolarHBondContact O-N 3.32Å; V143-L146 PolarHBondContact O-N 3.07Å; L144-L146 VanDerWaalsContact C-N 3.32Å; L144-L146 PolarHBondContact O-N 3.21Å; L146-N148 VanDerWaalsContact C-N 3.27Å; L146-N148 PolarHBondContact O-N 3.24Å; L146-N149 PolarHBondContact O-N 2.83Å; L146-N149 VanDerWaalsContact O-N 3.15Å; L146-V150 HydrophobicContact CD1-CG2 4.31Å; L146-V150 HydrophobicContact CG-CG2 4.33Å; L146-V150 WeakPolarHBondContact O-CG2 3.27Å; L146-V150 PolarHBondContact O-N 2.67Å; L146-M202 HydrophobicContact CD2-CE 3.46Å; L146-M202 VanDerWaalsContact CD2-CE 3.46Å; L146-M202 HydrophobicContact CD2-SD 4.38Å |
| 147 | R | 97.6 | Very high | 95 | Very high | 76 Ų | 76 | 47.7 Ų | 47.7 | 29% | 0.287 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -60 | -38.5 | 177.8 | -72.7 | -175.8 | 74.1 | -158.1 | -1.5 | 112.3 | N100 L103 V143 L144 V150 Y151 | N100-R147 PolarHBondContact OD1-NE 3.05Å; N100-R147 PolarHBondContact OD1-NH2 3.26Å; N100-R147 VanDerWaalsContact OD1-NH2 3.15Å; L103-R147 HydrophobicContact CB-CG 3.61Å; L103-R147 HydrophobicContact CD1-CG 3.68Å; L103-R147 HydrophobicContact CG-CG 4.3Å; V143-R147 WeakPolarHBondContact O-CG 3.35Å; V143-R147 PolarHBondContact O-N 3.48Å; L144-R147 PolarHBondContact O-N 2.77Å; R147-V150 PolarHBondContact O-N 3.27Å; R147-Y151 PolarHBondContact O-N 2.98Å |
| 148 | N | 96 | Very high | 94.4 | Very high | 73 Ų | 73 | 45.2 Ų | 45.2 | 39% | 0.39 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -62.2 | -45.3 | 174.8 | -69.1 | -13.2 | 0 | 0 | 0 | 111.3 | L144 G145 L146 V150 Y151 C152 | L144-N148 PolarHBondContact O-N 3.32Å; G145-N148 PolarHBondContact O-N 3.06Å; L146-N148 VanDerWaalsContact C-N 3.27Å; L146-N148 PolarHBondContact O-N 3.24Å; N148-V150 VanDerWaalsContact C-N 3.35Å; N148-V150 PolarHBondContact O-N 3.14Å; N148-Y151 WeakPolarHBondContact O-CB 3.42Å; N148-Y151 PolarHBondContact O-N 3.25Å; N148-C152 PolarHBondContact O-N 2.93Å; N148-C152 PolarHBondContact O-SG 3.39Å; N148-C152 VanDerWaalsContact O-SG 3.33Å |
| 149 | N | 95.9 | Very high | 93 | Very high | 25 Ų | 25 | 45.7 Ų | 45.7 | 13% | 0.134 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65.2 | -37.5 | 176.7 | -73.4 | -17 | 0 | 0 | 0 | 112.7 | L38 L42 Q45 G145 L146 C152 M153 | L38-N149 HydrophobicContact CD1-CB 3.94Å; L42-N149 HydrophobicContact CD2-CB 3.59Å; L42-N149 HydrophobicContact CG-CB 4.16Å; Q45-N149 VanDerWaalsContact CD-ND2 3.29Å; Q45-N149 PolarHBondContact NE2-ND2 3.38Å; Q45-N149 PolarHBondContact OE1-ND2 2.9Å; G145-N149 PolarHBondContact O-N 2.94Å; L146-N149 PolarHBondContact O-N 2.83Å; L146-N149 VanDerWaalsContact O-N 3.15Å; N149-C152 PolarHBondContact O-N 2.7Å; N149-M153 WeakPolarHBondContact O-CB 3.17Å; N149-M153 PolarHBondContact O-N 3.36Å |
| 150 | V | 96.5 | Very high | 91.3 | Very high | 3 Ų | 3 | 49 Ų | 49 | 2% | 0.018 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.5 | -43.1 | 174.1 | 168.3 | 0 | 0 | 0 | 0 | 111 | L42 L96 L99 N100 L146 R147 N148 M153 A154 | L42-V150 HydrophobicContact CD2-CG2 3.89Å; L96-V150 HydrophobicContact CB-CG1 4.13Å; L96-V150 HydrophobicContact CD2-CG1 4.06Å; L99-V150 HydrophobicContact CD2-CG2 3.54Å; L99-V150 HydrophobicContact CG-CG2 4.12Å; N100-V150 HydrophobicContact CB-CG1 4.06Å; L146-V150 HydrophobicContact CD1-CG2 4.31Å; L146-V150 HydrophobicContact CG-CG2 4.33Å; L146-V150 WeakPolarHBondContact O-CG2 3.27Å; L146-V150 PolarHBondContact O-N 2.67Å; R147-V150 PolarHBondContact O-N 3.27Å; N148-V150 VanDerWaalsContact C-N 3.35Å; N148-V150 PolarHBondContact O-N 3.14Å; V150-M153 PolarHBondContact O-N 2.87Å; V150-A154 PolarHBondContact O-N 3.25Å |
| 151 | Y | 94.9 | Very high | 89.2 | Confident | 97 Ų | 97 | 47.6 Ų | 47.6 | 38% | 0.38 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -60.8 | -48.8 | 174.4 | 171.6 | -97.8 | 0 | 0 | 0 | 111.6 | M28 R147 N148 M153 A154 Q155 | M28-Y151 HydrophobicContact CE-CE1 4.49Å; M28-Y151 HydrophobicContact SD-CD1 4.15Å; M28-Y151 HydrophobicContact SD-CE1 3.56Å; M28-Y151 VanDerWaalsContact SD-CE1 3.56Å; R147-Y151 PolarHBondContact O-N 2.98Å; N148-Y151 WeakPolarHBondContact O-CB 3.42Å; N148-Y151 PolarHBondContact O-N 3.25Å; Y151-M153 VanDerWaalsContact C-N 3.27Å; Y151-M153 PolarHBondContact O-N 3.45Å; Y151-A154 WeakPolarHBondContact O-CB 3.5Å; Y151-A154 PolarHBondContact O-N 3.17Å; Y151-A154 VanDerWaalsContact O-N 3.15Å; Y151-Q155 HydrophobicContact CD1-CG 4.41Å; Y151-Q155 HydrophobicContact CE1-CG 3.95Å; Y151-Q155 HydrophobicContact CE2-CG 4.24Å; Y151-Q155 WeakPolarHBondContact O-CG 3.45Å; Y151-Q155 PolarHBondContact O-N 3.42Å; Y151-Q155 PolarHBondContact OH-NE2 3.4Å |
| 152 | C | 94.2 | Very high | 86.8 | Confident | 10 Ų | 10 | 52.7 Ų | 52.7 | 7% | 0.068 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.1 | -37.8 | 177.5 | -66.6 | 0 | 0 | 0 | 0 | 112.3 | C31 L38 N148 N149 Q155 L156 | C31-C152 WeakPolarHBondContact CA-SG 3.18Å; C31-C152 HydrophobicContact CB-CB 3.61Å; C31-C152 WeakPolarHBondContact CB-SG 3.43Å; C31-C152 WeakPolarHBondContact SG-CA 3.3Å; C31-C152 WeakPolarHBondContact SG-CB 3.33Å; C31-C152 CovalentContact SG-SG 2.04Å; C31-C152 PolarHBondContact SG-SG 3.4Å; L38-C152 HydrophobicContact CD1-CB 4.37Å; L38-C152 HydrophobicContact CD2-CB 3.64Å; N148-C152 PolarHBondContact O-N 2.93Å; N148-C152 PolarHBondContact O-SG 3.39Å; N148-C152 VanDerWaalsContact O-SG 3.33Å; N149-C152 PolarHBondContact O-N 2.7Å; C152-Q155 PolarHBondContact O-N 3.11Å; C152-L156 PolarHBondContact O-N 3.3Å |
| 153 | M | 94.8 | Very high | 84.2 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -68.9 | -38.2 | 177.7 | -177.7 | 59.9 | 76.4 | 0 | 0 | 111.2 | Y35 L38 L39 L42 L96 N149 V150 Y151 Q155 L156 L157 W212 | Y35-M153 HydrophobicContact CD2-CE 4.01Å; Y35-M153 HydrophobicContact CD2-SD 3.57Å; Y35-M153 VanDerWaalsContact CD2-SD 3.57Å; Y35-M153 HydrophobicContact CE2-CE 4.03Å; Y35-M153 HydrophobicContact CE2-SD 3.55Å; Y35-M153 VanDerWaalsContact CE2-SD 3.55Å; L38-M153 HydrophobicContact CB-CE 3.99Å; L38-M153 HydrophobicContact CD2-CB 3.8Å; L38-M153 HydrophobicContact CD2-CE 4.06Å; L38-M153 VanDerWaalsContact CD2-N 3.31Å; L38-M153 HydrophobicContact CD2-SD 4.48Å; L38-M153 HydrophobicContact CG-CB 4.45Å; L38-M153 HydrophobicContact CG-CE 3.92Å; L39-M153 HydrophobicContact CB-CE 3.87Å; L42-M153 HydrophobicContact CD1-CB 3.87Å; L42-M153 HydrophobicContact CD1-CE 3.76Å; L42-M153 HydrophobicContact CD1-CG 4.01Å; L96-M153 HydrophobicContact CD1-CB 4.27Å; L96-M153 HydrophobicContact CD1-CG 3.88Å; L96-M153 HydrophobicContact CD2-CG 4.3Å; N149-M153 WeakPolarHBondContact O-CB 3.17Å; N149-M153 PolarHBondContact O-N 3.36Å; V150-M153 PolarHBondContact O-N 2.87Å; Y151-M153 VanDerWaalsContact C-N 3.27Å; Y151-M153 PolarHBondContact O-N 3.45Å; M153-Q155 VanDerWaalsContact C-N 3.35Å; M153-L156 PolarHBondContact O-N 3.05Å; M153-L157 WeakPolarHBondContact O-CG 3.44Å; M153-L157 PolarHBondContact O-N 2.98Å; M153-L157 VanDerWaalsContact O-N 3.12Å; M153-W212 HydrophobicContact CG-CZ3 4.1Å |
| 154 | A | 93.4 | Very high | 81.4 | Confident | 28 Ų | 28 | 63.5 Ų | 63.5 | 23% | 0.231 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61 | -45.3 | 174 | 0 | 0 | 0 | 0 | 0 | 111.1 | L96 V150 Y151 L156 L157 D158 | L96-A154 HydrophobicContact CD1-CB 4.16Å; V150-A154 PolarHBondContact O-N 3.25Å; Y151-A154 WeakPolarHBondContact O-CB 3.5Å; Y151-A154 PolarHBondContact O-N 3.17Å; Y151-A154 VanDerWaalsContact O-N 3.15Å; A154-L156 VanDerWaalsContact C-N 3.3Å; A154-L156 PolarHBondContact O-N 3.08Å; A154-L157 PolarHBondContact O-N 2.93Å; A154-D158 VanDerWaalsContact O-CG 3.26Å; A154-D158 PolarHBondContact O-N 3.03Å |
| 155 | Q | 91.1 | Very high | 79 | Confident | 68 Ų | 68 | 65.1 Ų | 65.1 | 32% | 0.318 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -59.3 | -39.7 | 175.5 | -69.1 | -65.1 | -23.7 | 0 | 0 | 112.4 | Y151 C152 M153 L157 D158 N159 | Y151-Q155 HydrophobicContact CD1-CG 4.41Å; Y151-Q155 HydrophobicContact CE1-CG 3.95Å; Y151-Q155 HydrophobicContact CE2-CG 4.24Å; Y151-Q155 WeakPolarHBondContact O-CG 3.45Å; Y151-Q155 PolarHBondContact O-N 3.42Å; Y151-Q155 PolarHBondContact OH-NE2 3.4Å; C152-Q155 PolarHBondContact O-N 3.11Å; M153-Q155 VanDerWaalsContact C-N 3.35Å; Q155-L157 PolarHBondContact O-N 3.46Å; Q155-D158 PolarHBondContact O-N 2.67Å; Q155-N159 PolarHBondContact O-N 2.62Å; Q155-N159 VanDerWaalsContact O-N 3.09Å; Q155-N159 PolarHBondContact O-ND2 3.28Å |
| 156 | L | 90.1 | Very high | 76.3 | Confident | 37 Ų | 37 | 70.7 Ų | 70.7 | 19% | 0.194 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -64 | -39.9 | 176.6 | -78.8 | 178.7 | 0 | 0 | 0 | 113.1 | K33 L38 C152 M153 A154 S160 | K33-L156 WeakPolarHBondContact O-CD2 3.35Å; L38-L156 HydrophobicContact CD2-CD1 3.85Å; C152-L156 PolarHBondContact O-N 3.3Å; M153-L156 PolarHBondContact O-N 3.05Å; A154-L156 VanDerWaalsContact C-N 3.3Å; A154-L156 PolarHBondContact O-N 3.08Å; L156-S160 PolarHBondContact O-N 3.5Å; L156-S160 PolarHBondContact O-OG 2.67Å |
| 157 | L | 87.4 | Confident | 73.8 | Confident | 11 Ų | 11 | 80.4 Ų | 80.4 | 6% | 0.058 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -71.1 | -34.6 | 177.4 | -63.7 | 176.8 | 0 | 0 | 0 | 111.9 | Y35 R92 L96 M153 A154 Q155 N159 S160 D161 W212 | Y35-L157 HydrophobicContact CE2-CD2 4.24Å; R92-L157 HydrophobicContact CB-CD1 3.89Å; L96-L157 HydrophobicContact CD1-CD1 3.67Å; M153-L157 WeakPolarHBondContact O-CG 3.44Å; M153-L157 PolarHBondContact O-N 2.98Å; M153-L157 VanDerWaalsContact O-N 3.12Å; A154-L157 PolarHBondContact O-N 2.93Å; Q155-L157 PolarHBondContact O-N 3.46Å; L157-N159 VanDerWaalsContact C-N 3.34Å; L157-S160 PolarHBondContact O-N 3.37Å; L157-S160 PolarHBondContact O-OG 3.25Å; L157-S160 VanDerWaalsContact O-OG 3.04Å; L157-D161 WeakPolarHBondContact O-CB 3.45Å; L157-D161 PolarHBondContact O-N 2.92Å; L157-D161 VanDerWaalsContact O-N 3.12Å; L157-W212 HydrophobicContact CD1-CH2 4.37Å; L157-W212 HydrophobicContact CD1-CZ3 4.21Å |
| 158 | D | 81.3 | Confident | 71.2 | Confident | 57 Ų | 57 | 81.1 Ų | 81.1 | 31% | 0.305 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -67.2 | -36.2 | 177.1 | -69.4 | 2.4 | 0 | 0 | 0 | 112.1 | R93 A154 Q155 | R93-D158 IonicContact CZ-OD1 2.81Å; R93-D158 IonicContact NH1-OD1 3.42Å; R93-D158 PolarHBondContact NH1-OD1 3.34Å; R93-D158 IonicContact NH1-OD2 3.71Å; R93-D158 PolarHBondContact NH1-OD2 3.05Å; R93-D158 IonicContact NH2-OD1 2.77Å; R93-D158 PolarHBondContact NH2-OD1 3.23Å; A154-D158 VanDerWaalsContact O-CG 3.26Å; A154-D158 PolarHBondContact O-N 3.03Å; Q155-D158 PolarHBondContact O-N 2.67Å |
| 159 | N | 65.1 | Low | 68.4 | Low | 110 Ų | 110 | 81.2 Ų | 81.2 | 59% | 0.588 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -80 | -21.6 | 178.6 | -69.9 | -57.3 | 0 | 0 | 0 | 113.2 | Q155 L157 | Q155-N159 PolarHBondContact O-N 2.62Å; Q155-N159 VanDerWaalsContact O-N 3.09Å; Q155-N159 PolarHBondContact O-ND2 3.28Å; L157-N159 VanDerWaalsContact C-N 3.34Å |
| 160 | S | 59.7 | Low | 65.8 | Low | 77 Ų | 77 | 91.8 Ų | 91.8 | 54% | 0.538 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -83 | -30.6 | 174.8 | 66.6 | 0 | 0 | 0 | 0 | 112.8 | L156 L157 | L156-S160 PolarHBondContact O-N 3.5Å; L156-S160 PolarHBondContact O-OG 2.67Å; L157-S160 PolarHBondContact O-N 3.37Å; L157-S160 PolarHBondContact O-OG 3.25Å; L157-S160 VanDerWaalsContact O-OG 3.04Å |
| 161 | D | 53.6 | Low | 63.4 | Low | 89 Ų | 89 | 94.8 Ų | 94.8 | 48% | 0.476 | 53% | 0.532 | S | S | . | . | trans | -100.6 | 80.7 | -179.4 | -63 | -11.6 | 0 | 0 | 0 | 108.9 | L157 T163 | L157-D161 WeakPolarHBondContact O-CB 3.45Å; L157-D161 PolarHBondContact O-N 2.92Å; L157-D161 VanDerWaalsContact O-N 3.12Å; D161-T163 PolarHBondContact O-N 3.36Å | ||
| 162 | M | 45.5 | Very low | 60.8 | Low | 174 Ų | 174 | 96.4 Ų | 96.4 | 86% | 0.857 | 55% | 0.552 | S | S | * | * | trans | -70.2 | 65 | 166.2 | -81.9 | -73.9 | 177.8 | 0 | 0 | 110.2 | ||||
| 163 | T | 42.4 | Very low | 58.5 | Low | 121 Ų | 121 | 101.7 Ų | 101.7 | 74% | 0.742 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -134 | 128.9 | 162.6 | 17.8 | 0 | 0 | 0 | 0 | 108.4 | D161 | D161-T163 PolarHBondContact O-N 3.36Š|
| 164 | E | 39.8 | Very low | 56.2 | Low | 183 Ų | 183 | 110.1 Ų | 110.1 | 86% | 0.855 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -50.6 | 136.6 | -174.5 | -151.2 | 175.5 | -172 | 0 | 0 | 112 | T166 | E164-T166 PolarHBondContact O-N 3.4Š|
| 165 | P | 45.4 | Very low | 53.9 | Low | 106 Ų | 106 | 113.8 Ų | 113.8 | 69% | 0.688 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -75 | 117.4 | -175 | 28.5 | -32.2 | 0 | 0 | 0 | 110.7 | K167 | P165-K167 PolarHBondContact O-N 3.01Š|
| 166 | T | 39.2 | Very low | 52.2 | Low | 139 Ų | 139 | 116.4 Ų | 116.4 | 85% | 0.853 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 118.2 | 161 | -45.8 | 0 | 0 | 0 | 0 | 108.4 | E164 A168 | E164-T166 PolarHBondContact O-N 3.4Å; T166-A168 PolarHBondContact O-N 3.35Å |
| 167 | K | 45.3 | Very low | 49.8 | Very low | 205 Ų | 205 | 120.3 Ų | 120.3 | 89% | 0.891 | 70% | 0.696 | S | S | * | * | trans | -62.9 | 98.7 | 176.3 | -73.9 | -175.6 | 178.7 | 175.4 | 0 | 109.8 | P165 | P165-K167 PolarHBondContact O-N 3.01Š| ||
| 168 | A | 43.8 | Very low | 47.8 | Very low | 91 Ų | 91 | 125.6 Ų | 125.6 | 75% | 0.752 | 73% | 0.731 | S | S | * | * | trans | -69.8 | 131 | 163 | 0 | 0 | 0 | 0 | 0 | 109 | T166 R170 | T166-A168 PolarHBondContact O-N 3.35Å; A168-R170 PolarHBondContact O-N 2.88Å | ||
| 169 | G | 37.1 | Very low | 46.4 | Very low | 75 Ų | 75 | 128 Ų | 128 | 77% | 0.773 | 75% | 0.748 | S | S | * | * | trans | -52.7 | 132 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | G171 | G169-G171 VanDerWaalsContact C-N 3.33Å; G169-G171 PolarHBondContact O-N 3.18Å | ||
| 170 | R | 42.3 | Very low | 45.9 | Very low | 247 Ų | 247 | 128 Ų | 128 | 93% | 0.932 | 75% | 0.753 | S | S | * | * | trans | -72.4 | 88.7 | 175.6 | -156.5 | -178.1 | -144.4 | -149 | 5.8 | 107.9 | A168 T172 | A168-R170 PolarHBondContact O-N 2.88Å; R170-T172 PolarHBondContact O-N 3.15Å; R170-T172 VanDerWaalsContact O-N 3.16Å | ||
| 171 | G | 44.9 | Very low | 45.9 | Very low | 66 Ų | 66 | 131.3 Ų | 131.3 | 68% | 0.68 | 77% | 0.771 | S | S | * | * | trans | -63.1 | 112 | 165.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | G169 P173 | G169-G171 VanDerWaalsContact C-N 3.33Å; G169-G171 PolarHBondContact O-N 3.18Å; G171-P173 WeakPolarHBondContact O-CD 3.46Å | ||
| 172 | T | 39.8 | Very low | 46.7 | Very low | 130 Ų | 130 | 128.6 Ų | 128.6 | 80% | 0.798 | 76% | 0.759 | S | S | * | * | trans | -58.8 | 122.9 | 172.8 | -4.6 | 0 | 0 | 0 | 0 | 108.4 | R170 Q174 | R170-T172 PolarHBondContact O-N 3.15Å; R170-T172 VanDerWaalsContact O-N 3.16Å; T172-Q174 PolarHBondContact O-N 3.41Å; T172-Q174 VanDerWaalsContact O-N 3.07Å | ||
| 173 | P | 47.1 | Very low | 48.7 | Very low | 122 Ų | 122 | 125.1 Ų | 125.1 | 79% | 0.792 | 74% | 0.744 | S | S | * | * | trans | -62.2 | 114.3 | 168.9 | -17.4 | 30.3 | 0 | 0 | 0 | 107.9 | G171 | G171-P173 WeakPolarHBondContact O-CD 3.46Š| ||
| 174 | Q | 45.8 | Very low | 50.9 | Low | 177 Ų | 177 | 123.7 Ų | 123.7 | 83% | 0.827 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -64 | 129.8 | 173.6 | -162.9 | 153.9 | -47.6 | 0 | 0 | 108.2 | T172 | T172-Q174 PolarHBondContact O-N 3.41Å; T172-Q174 VanDerWaalsContact O-N 3.07Å |
| 175 | P | 46 | Very low | 53.3 | Low | 104 Ų | 104 | 119.7 Ų | 119.7 | 68% | 0.675 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 139.3 | 175.3 | -19.5 | 29.9 | 0 | 0 | 0 | 109.5 | T177 | P175-T177 PolarHBondContact O-N 2.97Š|
| 176 | P | 54 | Low | 55.5 | Low | 123 Ų | 123 | 118.6 Ų | 118.6 | 80% | 0.799 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -60 | 129.1 | 172.6 | 24.9 | -30.6 | 0 | 0 | 0 | 108.8 | ||
| 177 | T | 40.3 | Very low | 58 | Low | 119 Ų | 119 | 116.5 Ų | 116.5 | 73% | 0.73 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 133.1 | 169.9 | -38.8 | 0 | 0 | 0 | 0 | 108.2 | P175 T179 | P175-T177 PolarHBondContact O-N 2.97Å; T177-T179 PolarHBondContact O-N 3.18Å |
| 178 | P | 45.2 | Very low | 60.3 | Low | 123 Ų | 123 | 109.6 Ų | 109.6 | 80% | 0.799 | 65% | 0.647 | S | S | * | * | trans | -60.6 | 114 | 179.2 | 22.5 | -30.5 | 0 | 0 | 0 | 109.1 | ||||
| 179 | T | 53.4 | Low | 62.8 | Low | 108 Ų | 108 | 106 Ų | 106 | 66% | 0.663 | 62% | 0.615 | S | S | * | * | trans | -63.5 | 149.6 | 170.1 | 17.2 | 0 | 0 | 0 | 0 | 109.5 | T177 | T177-T179 PolarHBondContact O-N 3.18Š| ||
| 180 | P | 53.7 | Low | 65.5 | Low | 108 Ų | 108 | 104.8 Ų | 104.8 | 70% | 0.701 | 59% | 0.589 | S | S | * | * | trans | -52.9 | 153.7 | 172.8 | -17.2 | 29 | 0 | 0 | 0 | 110.1 | S182 | P180-S182 VanDerWaalsContact C-N 3.3Å; P180-S182 PolarHBondContact O-N 3.33Å | ||
| 181 | T | 58.5 | Low | 68 | Low | 147 Ų | 147 | 93 Ų | 93 | 90% | 0.902 | 55% | 0.545 | S | S | * | . | trans | -60.8 | 91.8 | 174.4 | 42.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 182 | S | 71.8 | Confident | 70.5 | Confident | 33 Ų | 33 | 89.9 Ų | 89.9 | 23% | 0.231 | 51% | 0.512 | C | S | . | . | trans | -62.9 | 133.6 | 169.3 | -72.2 | 0 | 0 | 0 | 0 | 108.8 | P180 R187 E190 | P180-S182 VanDerWaalsContact C-N 3.3Å; P180-S182 PolarHBondContact O-N 3.33Å; S182-R187 PolarHBondContact O-NE 2.89Å; S182-R187 VanDerWaalsContact O-NE 3.16Å; S182-E190 PolarHBondContact OG-OE1 3.25Å | ||
| 183 | D | 86.6 | Confident | 73.2 | Confident | 101 Ų | 101 | 84.4 Ų | 84.4 | 54% | 0.54 | 48% | 0.479 | S | S | . | . | trans | -60.1 | 167.4 | 172.8 | 68.9 | 54.5 | 0 | 0 | 0 | 111.3 | F185 Q186 R187 | D183-F185 PolarHBondContact O-N 3.28Å; D183-F185 WeakPolarHBondContact OD1-CA 3.46Å; D183-F185 WeakPolarHBondContact OD1-CB 3.33Å; D183-F185 PolarHBondContact OD1-N 3.33Å; D183-Q186 PolarHBondContact O-N 2.89Å; D183-Q186 PolarHBondContact OD1-N 2.8Å; D183-R187 PolarHBondContact O-N 3.23Å | ||
| 184 | V | 88.5 | Confident | 75.6 | Confident | 90 Ų | 90 | 80.1 Ų | 80.1 | 55% | 0.545 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -58.8 | -37.7 | -175.5 | 177 | 0 | 0 | 0 | 0 | 111.6 | K188 | V184-K188 WeakPolarHBondContact O-CG 3.4Å; V184-K188 PolarHBondContact O-N 3.36Å |
| 185 | F | 90.2 | Very high | 78.1 | Confident | 99 Ų | 99 | 71.7 Ų | 71.7 | 43% | 0.434 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -70.4 | -44.7 | -178.2 | 176 | -100.3 | 0 | 0 | 0 | 111.1 | L65 L70 D183 R187 K188 L189 | L65-F185 HydrophobicContact CD2-CE2 4.49Å; L70-F185 HydrophobicContact CD1-CE2 4.18Å; L70-F185 HydrophobicContact CD1-CZ 4.48Å; L70-F185 HydrophobicContact CD2-CE2 4.21Å; L70-F185 HydrophobicContact CD2-CZ 3.67Å; D183-F185 PolarHBondContact O-N 3.28Å; D183-F185 WeakPolarHBondContact OD1-CA 3.46Å; D183-F185 WeakPolarHBondContact OD1-CB 3.33Å; D183-F185 PolarHBondContact OD1-N 3.33Å; F185-R187 VanDerWaalsContact C-N 3.31Å; F185-R187 PolarHBondContact O-N 3Å; F185-K188 WeakPolarHBondContact O-CB 3.28Å; F185-K188 PolarHBondContact O-N 3.31Å; F185-K188 VanDerWaalsContact O-N 3.13Å; F185-L189 HydrophobicContact CD1-CD1 4.15Å; F185-L189 HydrophobicContact CE1-CD1 3.54Å; F185-L189 HydrophobicContact CE1-CG 4.28Å; F185-L189 HydrophobicContact CZ-CD1 3.95Å; F185-L189 HydrophobicContact CZ-CG 4.37Å; F185-L189 PolarHBondContact O-N 2.9Å; F185-L189 VanDerWaalsContact O-N 3.17Å |
| 186 | Q | 91.5 | Very high | 80.5 | Confident | 83 Ų | 83 | 72.3 Ų | 72.3 | 39% | 0.388 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -61.8 | -40 | 176.5 | -173.4 | 63.1 | 13.1 | 0 | 0 | 111.7 | D183 K188 L189 E190 | D183-Q186 PolarHBondContact O-N 2.89Å; D183-Q186 PolarHBondContact OD1-N 2.8Å; Q186-K188 VanDerWaalsContact C-N 3.3Å; Q186-K188 PolarHBondContact O-N 3.3Å; Q186-L189 PolarHBondContact O-N 2.67Å; Q186-L189 VanDerWaalsContact O-N 3.15Å; Q186-E190 WeakPolarHBondContact O-CG 3.41Å; Q186-E190 PolarHBondContact O-N 3.26Å |
| 187 | R | 92.1 | Very high | 82.6 | Confident | 96 Ų | 96 | 66.5 Ų | 66.5 | 36% | 0.362 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -60.9 | -36.5 | 174.6 | -77 | -173.3 | -78.7 | 153 | -6.3 | 113.1 | H116 S182 D183 F185 E190 G191 | H116-R187 PolarHBondContact CD2-NH1 3.34Å; H116-R187 PolarHBondContact NE2-NH1 3.07Å; S182-R187 PolarHBondContact O-NE 2.89Å; S182-R187 VanDerWaalsContact O-NE 3.16Å; D183-R187 PolarHBondContact O-N 3.23Å; F185-R187 VanDerWaalsContact C-N 3.31Å; F185-R187 PolarHBondContact O-N 3Å; R187-E190 PolarHBondContact O-N 2.83Å; R187-G191 PolarHBondContact O-N 2.88Å |
| 188 | K | 94.4 | Very high | 85.4 | Confident | 60 Ų | 60 | 61.1 Ų | 61.1 | 26% | 0.261 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -63.7 | -44 | 173.7 | -67.9 | 174.7 | 174.3 | -156.5 | 0 | 111.5 | Y59 Q63 L65 V184 F185 Q186 G191 C192 | Y59-K188 WeakPolarHBondContact CE1-O 3.44Å; Y59-K188 PolarHBondContact OH-O 3.14Å; Q63-K188 HydrophobicContact CB-CD 4.23Å; Q63-K188 HydrophobicContact CB-CG 4.36Å; Q63-K188 HydrophobicContact CG-CG 4.47Å; Q63-K188 PolarHBondContact O-NZ 3.05Å; L65-K188 HydrophobicContact CD1-CB 4.21Å; L65-K188 HydrophobicContact CD2-CB 4.3Å; V184-K188 WeakPolarHBondContact O-CG 3.4Å; V184-K188 PolarHBondContact O-N 3.36Å; F185-K188 WeakPolarHBondContact O-CB 3.28Å; F185-K188 PolarHBondContact O-N 3.31Å; F185-K188 VanDerWaalsContact O-N 3.13Å; Q186-K188 VanDerWaalsContact C-N 3.3Å; Q186-K188 PolarHBondContact O-N 3.3Å; K188-G191 PolarHBondContact O-N 3.18Å; K188-C192 PolarHBondContact O-N 3.48Å |
| 189 | L | 94.8 | Very high | 87.9 | Confident | 15 Ų | 15 | 55.6 Ų | 55.6 | 8% | 0.079 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65.1 | -41.2 | 176.9 | -69 | 178.6 | 0 | 0 | 0 | 112.3 | L65 H73 F185 Q186 G191 C192 S193 | L65-L189 HydrophobicContact CD1-CD2 4.48Å; L65-L189 HydrophobicContact CD2-CD2 4.12Å; H73-L189 HydrophobicContact CB-CD2 4.09Å; F185-L189 HydrophobicContact CD1-CD1 4.15Å; F185-L189 HydrophobicContact CE1-CD1 3.54Å; F185-L189 HydrophobicContact CE1-CG 4.28Å; F185-L189 HydrophobicContact CZ-CD1 3.95Å; F185-L189 HydrophobicContact CZ-CG 4.37Å; F185-L189 PolarHBondContact O-N 2.9Å; F185-L189 VanDerWaalsContact O-N 3.17Å; Q186-L189 PolarHBondContact O-N 2.67Å; Q186-L189 VanDerWaalsContact O-N 3.15Å; L189-G191 VanDerWaalsContact C-N 3.35Å; L189-C192 WeakPolarHBondContact O-CB 3.39Å; L189-C192 PolarHBondContact O-N 3.32Å; L189-S193 WeakPolarHBondContact O-CB 3.44Å; L189-S193 PolarHBondContact O-N 2.88Å; L189-S193 PolarHBondContact O-OG 3.3Å |
| 190 | E | 94.4 | Very high | 90.1 | Very high | 50 Ų | 50 | 54.1 Ų | 54.1 | 23% | 0.234 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.6 | -42.5 | 173.8 | -73.8 | 176.8 | -154.4 | 0 | 0 | 111.9 | R109 S182 Q186 R187 C192 S193 F194 | R109-E190 IonicContact NH2-OE2 2.67Å; R109-E190 PolarHBondContact NH2-OE2 3.38Å; S182-E190 PolarHBondContact OG-OE1 3.25Å; Q186-E190 WeakPolarHBondContact O-CG 3.41Å; Q186-E190 PolarHBondContact O-N 3.26Å; R187-E190 PolarHBondContact O-N 2.83Å; E190-C192 VanDerWaalsContact C-N 3.34Å; E190-C192 PolarHBondContact O-N 3.02Å; E190-S193 PolarHBondContact O-N 2.95Å; E190-F194 WeakPolarHBondContact O-CB 3.04Å; E190-F194 PolarHBondContact O-N 2.95Å |
| 191 | G | 95.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.5 | -44 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | R187 K188 L189 F194 L195 | R187-G191 PolarHBondContact O-N 2.88Å; K188-G191 PolarHBondContact O-N 3.18Å; L189-G191 VanDerWaalsContact C-N 3.35Å; G191-F194 PolarHBondContact O-N 3.37Å; G191-L195 WeakPolarHBondContact O-CG 3.43Å; G191-L195 PolarHBondContact O-N 3.14Å |
| 192 | C | 96.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62 | -45.2 | 176 | -162.8 | 0 | 0 | 0 | 0 | 112.4 | L56 Y59 I60 L65 C74 K188 L189 E190 F194 L195 R196 | L56-C192 WeakPolarHBondContact CD1-O 3.41Å; Y59-C192 HydrophobicContact CD1-CB 4.22Å; Y59-C192 HydrophobicContact CE1-CB 3.97Å; Y59-C192 VanDerWaalsContact CE1-N 3.34Å; I60-C192 WeakPolarHBondContact CG1-SG 3.36Å; L65-C192 HydrophobicContact CD1-CB 3.97Å; C74-C192 HydrophobicContact CB-CB 3.88Å; C74-C192 WeakPolarHBondContact CB-SG 3.44Å; C74-C192 WeakPolarHBondContact SG-CB 3.2Å; C74-C192 CovalentContact SG-SG 2.02Å; C74-C192 PolarHBondContact SG-SG 3.38Å; K188-C192 PolarHBondContact O-N 3.48Å; L189-C192 WeakPolarHBondContact O-CB 3.39Å; L189-C192 PolarHBondContact O-N 3.32Å; E190-C192 VanDerWaalsContact C-N 3.34Å; E190-C192 PolarHBondContact O-N 3.02Å; C192-F194 PolarHBondContact O-N 3.37Å; C192-L195 PolarHBondContact O-N 3.44Å; C192-R196 PolarHBondContact O-N 2.63Å |
| 193 | S | 96.7 | Very high | 95.4 | Very high | 14 Ų | 14 | 44.5 Ų | 44.5 | 10% | 0.098 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.4 | -43.4 | 177.7 | -61 | 0 | 0 | 0 | 0 | 111.9 | R75 L189 E190 R196 G197 | R75-S193 WeakPolarHBondContact O-CA 3.36Å; R75-S193 WeakPolarHBondContact O-CB 3.25Å; R75-S193 PolarHBondContact O-OG 2.74Å; R75-S193 VanDerWaalsContact O-OG 3.09Å; L189-S193 WeakPolarHBondContact O-CB 3.44Å; L189-S193 PolarHBondContact O-N 2.88Å; L189-S193 PolarHBondContact O-OG 3.3Å; E190-S193 PolarHBondContact O-N 2.95Å; S193-R196 PolarHBondContact O-N 3.12Å; S193-G197 PolarHBondContact O-N 3.27Å |
| 194 | F | 97.6 | Very high | 96 | Very high | 32 Ų | 32 | 39.9 Ų | 39.9 | 14% | 0.14 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.5 | -50 | 173.9 | 163.3 | -99.6 | 0 | 0 | 0 | 111.9 | F81 V106 R109 L110 L113 E190 G191 C192 R196 G197 Y198 | F81-F194 HydrophobicContact CE1-CE2 4.49Å; F81-F194 HydrophobicContact CE2-CD2 4.08Å; F81-F194 HydrophobicContact CE2-CE2 4.31Å; F81-F194 WeakPolarHBondContact CE2-O 3.44Å; F81-F194 AromaticContact CZ-CD2 3.81Å; F81-F194 HydrophobicContact CZ-CD2 3.81Å; F81-F194 AromaticContact CZ-CE2 3.58Å; F81-F194 HydrophobicContact CZ-CE2 3.58Å; F81-F194 HydrophobicContact CZ-CZ 4.39Å; V106-F194 HydrophobicContact CB-CZ 4.32Å; V106-F194 HydrophobicContact CG1-CZ 4.17Å; V106-F194 HydrophobicContact CG2-CE2 4.37Å; V106-F194 HydrophobicContact CG2-CZ 4.18Å; R109-F194 HydrophobicContact CB-CD2 4.36Å; R109-F194 HydrophobicContact CB-CE1 3.96Å; R109-F194 HydrophobicContact CB-CE2 3.76Å; R109-F194 HydrophobicContact CB-CZ 3.55Å; R109-F194 HydrophobicContact CG-CD1 3.76Å; R109-F194 HydrophobicContact CG-CD2 3.76Å; R109-F194 HydrophobicContact CG-CE1 3.69Å; R109-F194 HydrophobicContact CG-CE2 3.69Å; R109-F194 HydrophobicContact CG-CG 3.79Å; R109-F194 HydrophobicContact CG-CZ 3.66Å; L110-F194 HydrophobicContact CD2-CE1 4.4Å; L113-F194 HydrophobicContact CD1-CD1 3.74Å; L113-F194 HydrophobicContact CD1-CE1 4.03Å; E190-F194 WeakPolarHBondContact O-CB 3.04Å; E190-F194 PolarHBondContact O-N 2.95Å; G191-F194 PolarHBondContact O-N 3.37Å; C192-F194 PolarHBondContact O-N 3.37Å; F194-R196 VanDerWaalsContact C-N 3.3Å; F194-R196 PolarHBondContact O-N 3.37Å; F194-G197 PolarHBondContact O-N 2.97Å; F194-Y198 PolarHBondContact O-N 2.93Å |
| 195 | L | 97.9 | Very high | 96.5 | Very high | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -63.6 | -36.8 | -179.2 | -70.9 | -179.6 | 0 | 0 | 0 | 112 | L55 L56 Y59 L110 L113 G191 C192 Y198 H199 | L55-L195 HydrophobicContact CD1-CD1 4.49Å; L55-L195 HydrophobicContact CD1-CD2 4.31Å; L55-L195 HydrophobicContact CD2-CD2 3.7Å; L55-L195 HydrophobicContact CG-CD1 4.29Å; L55-L195 HydrophobicContact CG-CD2 3.83Å; L56-L195 HydrophobicContact CB-CB 4.37Å; L56-L195 HydrophobicContact CD1-CB 3.83Å; Y59-L195 VanDerWaalsContact CB-CD1 3.48Å; Y59-L195 HydrophobicContact CD1-CD1 3.88Å; Y59-L195 HydrophobicContact CD2-CD1 3.72Å; Y59-L195 HydrophobicContact CE2-CD1 4.42Å; Y59-L195 HydrophobicContact CG-CD1 3.41Å; Y59-L195 VanDerWaalsContact CG-CD1 3.41Å; L110-L195 HydrophobicContact CD2-CD2 4Å; L113-L195 HydrophobicContact CD1-CD2 4.26Å; L113-L195 HydrophobicContact CD1-CG 4.23Å; G191-L195 WeakPolarHBondContact O-CG 3.43Å; G191-L195 PolarHBondContact O-N 3.14Å; C192-L195 PolarHBondContact O-N 3.44Å; L195-Y198 WeakPolarHBondContact O-CB 3.48Å; L195-Y198 PolarHBondContact O-N 3.04Å; L195-H199 PolarHBondContact O-CD2 2.91Å; L195-H199 PolarHBondContact O-N 3.41Å |
| 196 | R | 97.9 | Very high | 96.8 | Very high | 117 Ų | 117 | 31.1 Ų | 31.1 | 44% | 0.442 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -63.2 | -44.9 | 173.9 | -169.6 | 167.9 | -174.2 | 169.5 | 1.6 | 112.2 | L56 C74 C192 S193 F194 Y198 H199 R200 | L56-R196 HydrophobicContact CD1-CB 4.44Å; L56-R196 HydrophobicContact CD2-CB 3.96Å; L56-R196 HydrophobicContact CD2-CG 4.14Å; C74-R196 WeakPolarHBondContact O-CD 3.48Å; C74-R196 PolarHBondContact O-NH1 3.46Å; C192-R196 PolarHBondContact O-N 2.63Å; S193-R196 PolarHBondContact O-N 3.12Å; F194-R196 VanDerWaalsContact C-N 3.3Å; F194-R196 PolarHBondContact O-N 3.37Å; R196-Y198 VanDerWaalsContact C-N 3.3Å; R196-Y198 PolarHBondContact O-N 3Å; R196-H199 PolarHBondContact O-N 3.36Å; R196-R200 PolarHBondContact O-N 3.15Å; R196-R200 VanDerWaalsContact O-N 3.1Å |
| 197 | G | 98.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -61.2 | -39.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | E76 S193 F194 R200 F201 | E76-G197 VanDerWaalsContact CD-CA 3.45Å; S193-G197 PolarHBondContact O-N 3.27Å; F194-G197 PolarHBondContact O-N 2.97Å; G197-R200 PolarHBondContact O-N 3.32Å; G197-F201 VanDerWaalsContact O-CB 3.31Å; G197-F201 WeakPolarHBondContact O-CB 3.42Å; G197-F201 PolarHBondContact O-N 3.34Å |
| 198 | Y | 98.4 | Very high | 97.4 | Very high | 6 Ų | 6 | 27.9 Ų | 27.9 | 2% | 0.024 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -60.6 | -47.1 | 175.4 | 165.6 | -103.9 | 0 | 0 | 0 | 112.2 | M49 L55 F81 V106 V143 F194 L195 R196 R200 F201 M202 | M49-Y198 WeakPolarHBondContact CE-OH 3.04Å; L55-Y198 HydrophobicContact CD2-CD1 3.95Å; L55-Y198 HydrophobicContact CD2-CE1 3.73Å; F81-Y198 VanDerWaalsContact CE2-N 3.3Å; V106-Y198 HydrophobicContact CG1-CD2 3.9Å; V106-Y198 HydrophobicContact CG1-CE2 3.9Å; V106-Y198 HydrophobicContact CG2-CD2 3.87Å; V106-Y198 HydrophobicContact CG2-CE2 4.39Å; V143-Y198 HydrophobicContact CG2-CE2 4.42Å; F194-Y198 PolarHBondContact O-N 2.93Å; L195-Y198 WeakPolarHBondContact O-CB 3.48Å; L195-Y198 PolarHBondContact O-N 3.04Å; R196-Y198 VanDerWaalsContact C-N 3.3Å; R196-Y198 PolarHBondContact O-N 3Å; Y198-R200 PolarHBondContact O-N 3.21Å; Y198-F201 WeakPolarHBondContact O-CB 3.26Å; Y198-F201 PolarHBondContact O-N 3.17Å; Y198-M202 HydrophobicContact CD2-CG 3.98Å; Y198-M202 HydrophobicContact CD2-SD 4.45Å; Y198-M202 HydrophobicContact CE1-CG 4.16Å; Y198-M202 HydrophobicContact CE2-CG 3.52Å; Y198-M202 HydrophobicContact CE2-SD 3.77Å; Y198-M202 WeakPolarHBondContact O-CG 3.45Å; Y198-M202 PolarHBondContact O-N 3.38Å |
| 199 | H | 98.5 | Very high | 97.5 | Very high | 8 Ų | 8 | 25 Ų | 25 | 4% | 0.037 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -63 | -42.3 | 177.1 | -74.1 | -67.2 | 0 | 0 | 0 | 112.4 | M49 Q50 D51 T52 L56 L195 R196 F201 M202 H203 | M49-H199 PolarHBondContact O-CE1 3.46Å; M49-H199 PolarHBondContact O-ND1 2.95Å; Q50-H199 PolarHBondContact O-ND1 3.07Å; D51-H199 PolarHBondContact O-CE1 3.33Å; T52-H199 HydrophobicContact CG2-CB 4.18Å; L56-H199 VanDerWaalsContact CB-CD2 3.49Å; L56-H199 WeakPolarHBondContact CB-CD2 3.46Å; L56-H199 WeakPolarHBondContact CB-NE2 3.42Å; L56-H199 PolarHBondContact N-NE2 2.85Å; L195-H199 PolarHBondContact O-CD2 2.91Å; L195-H199 PolarHBondContact O-N 3.41Å; R196-H199 PolarHBondContact O-N 3.36Å; H199-F201 VanDerWaalsContact C-N 3.32Å; H199-F201 PolarHBondContact O-N 2.91Å; H199-M202 PolarHBondContact O-N 2.94Å; H199-H203 PolarHBondContact O-N 3.38Å |
| 200 | R | 98.3 | Very high | 97.5 | Very high | 77 Ų | 77 | 25.9 Ų | 25.9 | 29% | 0.291 | 11% | 0.114 | S | C | . | . | H | α-helix | trans | -58.9 | -45.2 | 174 | -169.5 | -83.4 | -72.2 | 176.4 | -3 | 111.1 | E76 F81 P82 R196 G197 Y198 H203 S204 | E76-R200 VanDerWaalsContact CD-NH2 3.33Å; E76-R200 IonicContact OE1-CZ 2.74Å; E76-R200 VanDerWaalsContact OE1-CZ 3.32Å; E76-R200 IonicContact OE1-NE 3.8Å; E76-R200 PolarHBondContact OE1-NE 2.77Å; E76-R200 IonicContact OE1-NH2 3.82Å; E76-R200 PolarHBondContact OE1-NH2 3.29Å; E76-R200 IonicContact OE2-CZ 3.64Å; E76-R200 IonicContact OE2-NE 2.62Å; E76-R200 PolarHBondContact OE2-NE 3Å; E76-R200 IonicContact OE2-NH2 3.48Å; E76-R200 PolarHBondContact OE2-NH2 3.35Å; F81-R200 PolarHBondContact O-NH2 3.05Å; P82-R200 PolarHBondContact O-NH1 2.81Å; R196-R200 PolarHBondContact O-N 3.15Å; R196-R200 VanDerWaalsContact O-N 3.1Å; G197-R200 PolarHBondContact O-N 3.32Å; Y198-R200 PolarHBondContact O-N 3.21Å; R200-H203 WeakPolarHBondContact O-CB 3.43Å; R200-H203 PolarHBondContact O-N 2.04Å; R200-S204 PolarHBondContact O-N 2.81Å; R200-S204 VanDerWaalsContact O-N 3.1Å; R200-S204 PolarHBondContact O-OG 3.48Å |
| 201 | F | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -59.8 | -46.6 | 175.5 | 169.7 | -107.9 | 0 | 0 | 0 | 112.1 | F81 P82 L87 L99 T102 G197 Y198 H199 H203 S204 V205 | F81-F201 HydrophobicContact CB-CB 3.82Å; F81-F201 HydrophobicContact CB-CD2 4.22Å; F81-F201 HydrophobicContact CB-CG 4.21Å; F81-F201 HydrophobicContact CD1-CB 3.69Å; F81-F201 HydrophobicContact CD1-CD1 4.01Å; F81-F201 HydrophobicContact CD1-CD2 4.27Å; F81-F201 AromaticContact CD1-CG 3.72Å; F81-F201 HydrophobicContact CD1-CG 3.72Å; F81-F201 HydrophobicContact CE1-CB 4.46Å; F81-F201 HydrophobicContact CE1-CD1 4.43Å; F81-F201 HydrophobicContact CG-CB 3.85Å; F81-F201 HydrophobicContact CG-CG 4.28Å; P82-F201 HydrophobicContact CB-CE2 4.47Å; P82-F201 HydrophobicContact CG-CE2 4.19Å; L87-F201 HydrophobicContact CD1-CD2 4.08Å; L87-F201 HydrophobicContact CD1-CE2 3.85Å; L87-F201 HydrophobicContact CD2-CE2 4.23Å; L99-F201 HydrophobicContact CD1-CE1 3.84Å; L99-F201 HydrophobicContact CD1-CZ 3.65Å; T102-F201 HydrophobicContact CG2-CD1 4.25Å; T102-F201 HydrophobicContact CG2-CE1 3.72Å; T102-F201 HydrophobicContact CG2-CE2 4.06Å; T102-F201 HydrophobicContact CG2-CZ 3.61Å; G197-F201 VanDerWaalsContact O-CB 3.31Å; G197-F201 WeakPolarHBondContact O-CB 3.42Å; G197-F201 PolarHBondContact O-N 3.34Å; Y198-F201 WeakPolarHBondContact O-CB 3.26Å; Y198-F201 PolarHBondContact O-N 3.17Å; H199-F201 VanDerWaalsContact C-N 3.32Å; H199-F201 PolarHBondContact O-N 2.91Å; F201-H203 VanDerWaalsContact C-N 3.3Å; F201-H203 PolarHBondContact O-N 3.12Å; F201-S204 WeakPolarHBondContact O-CB 3.25Å; F201-S204 PolarHBondContact O-N 3.5Å; F201-S204 VanDerWaalsContact O-N 3.14Å; F201-V205 HydrophobicContact CD1-CG2 4.3Å; F201-V205 HydrophobicContact CD2-CG2 4.12Å; F201-V205 HydrophobicContact CE1-CG2 3.87Å; F201-V205 HydrophobicContact CE2-CG2 3.68Å; F201-V205 HydrophobicContact CG-CG2 4.41Å; F201-V205 HydrophobicContact CZ-CG2 3.54Å; F201-V205 VanDerWaalsContact O-CG2 3.3Å; F201-V205 WeakPolarHBondContact O-CG2 3.46Å; F201-V205 PolarHBondContact O-N 2.88Å |
| 202 | M | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -63.1 | -36 | 178.3 | -68.7 | -49.6 | -56.8 | 0 | 0 | 112.5 | T46 M49 Q50 L103 L146 Y198 H199 V205 G206 | T46-M202 HydrophobicContact CG2-CE 3.62Å; M49-M202 HydrophobicContact CB-CB 4.22Å; M49-M202 HydrophobicContact CB-CE 3.81Å; M49-M202 HydrophobicContact CB-CG 3.97Å; M49-M202 HydrophobicContact CE-CE 3.84Å; M49-M202 HydrophobicContact CE-SD 4.29Å; M49-M202 HydrophobicContact CG-CE 4.48Å; M49-M202 HydrophobicContact SD-CE 3.93Å; Q50-M202 HydrophobicContact CB-CB 4.29Å; L103-M202 HydrophobicContact CD2-SD 4.15Å; L146-M202 HydrophobicContact CD2-CE 3.46Å; L146-M202 VanDerWaalsContact CD2-CE 3.46Å; L146-M202 HydrophobicContact CD2-SD 4.38Å; Y198-M202 HydrophobicContact CD2-CG 3.98Å; Y198-M202 HydrophobicContact CD2-SD 4.45Å; Y198-M202 HydrophobicContact CE1-CG 4.16Å; Y198-M202 HydrophobicContact CE2-CG 3.52Å; Y198-M202 HydrophobicContact CE2-SD 3.77Å; Y198-M202 WeakPolarHBondContact O-CG 3.45Å; Y198-M202 PolarHBondContact O-N 3.38Å; H199-M202 PolarHBondContact O-N 2.94Å; M202-V205 PolarHBondContact O-N 3.49Å; M202-G206 PolarHBondContact O-N 2.78Å |
| 203 | H | 98.5 | Very high | 96.4 | Very high | 86 Ų | 86 | 29.7 Ų | 29.7 | 40% | 0.398 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -58.4 | -50.9 | 170.3 | 178.5 | 74.5 | 0 | 0 | 0 | 111.5 | Q50 H199 R200 F201 V205 G206 R207 | Q50-H203 HydrophobicContact CB-CB 4.05Å; Q50-H203 PolarHBondContact OE1-ND1 3.41Å; H199-H203 PolarHBondContact O-N 3.38Å; R200-H203 WeakPolarHBondContact O-CB 3.43Å; R200-H203 PolarHBondContact O-N 2.04Å; F201-H203 VanDerWaalsContact C-N 3.3Å; F201-H203 PolarHBondContact O-N 3.12Å; H203-V205 VanDerWaalsContact C-N 3.32Å; H203-V205 PolarHBondContact O-N 2.95Å; H203-G206 PolarHBondContact O-N 3.04Å; H203-R207 WeakPolarHBondContact O-CG 3.36Å; H203-R207 PolarHBondContact O-N 3.49Å |
| 204 | S | 98.6 | Very high | 94.9 | Very high | 4 Ų | 4 | 34.5 Ų | 34.5 | 3% | 0.028 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.5 | -40.3 | 177.7 | -59.6 | 0 | 0 | 0 | 0 | 112.5 | R200 F201 R207 V208 | R200-S204 PolarHBondContact O-N 2.81Å; R200-S204 VanDerWaalsContact O-N 3.1Å; R200-S204 PolarHBondContact O-OG 3.48Å; F201-S204 WeakPolarHBondContact O-CB 3.25Å; F201-S204 PolarHBondContact O-N 3.5Å; F201-S204 VanDerWaalsContact O-N 3.14Å; S204-R207 WeakPolarHBondContact O-CB 3.49Å; S204-R207 PolarHBondContact O-N 3.18Å; S204-V208 PolarHBondContact O-N 3.32Å |
| 205 | V | 98.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.9 | -47.7 | 175.8 | 169.1 | 0 | 0 | 0 | 0 | 111.1 | T46 L87 F95 L99 F201 M202 H203 R207 V208 F209 | T46-V205 HydrophobicContact CG2-CB 4.49Å; T46-V205 HydrophobicContact CG2-CG1 3.6Å; L87-V205 HydrophobicContact CD1-CG2 4.02Å; F95-V205 HydrophobicContact CZ-CB 4.47Å; F95-V205 HydrophobicContact CZ-CG1 3.97Å; L99-V205 HydrophobicContact CD1-CG1 3.96Å; L99-V205 HydrophobicContact CD1-CG2 3.81Å; L99-V205 HydrophobicContact CD2-CG1 3.89Å; F201-V205 HydrophobicContact CD1-CG2 4.3Å; F201-V205 HydrophobicContact CD2-CG2 4.12Å; F201-V205 HydrophobicContact CE1-CG2 3.87Å; F201-V205 HydrophobicContact CE2-CG2 3.68Å; F201-V205 HydrophobicContact CG-CG2 4.41Å; F201-V205 HydrophobicContact CZ-CG2 3.54Å; F201-V205 VanDerWaalsContact O-CG2 3.3Å; F201-V205 WeakPolarHBondContact O-CG2 3.46Å; F201-V205 PolarHBondContact O-N 2.88Å; M202-V205 PolarHBondContact O-N 3.49Å; H203-V205 VanDerWaalsContact C-N 3.32Å; H203-V205 PolarHBondContact O-N 2.95Å; V205-R207 PolarHBondContact O-N 3.24Å; V205-V208 PolarHBondContact O-N 3.19Å; V205-V208 VanDerWaalsContact O-N 3.14Å; V205-F209 HydrophobicContact CG1-CD2 3.73Å; V205-F209 HydrophobicContact CG1-CE2 3.51Å; V205-F209 WeakPolarHBondContact O-CD2 3.48Å; V205-F209 PolarHBondContact O-N 2.76Å |
| 206 | G | 97.9 | Very high | 90 | Very high | 4 Ų | 4 | 41.4 Ų | 41.4 | 4% | 0.041 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -58.6 | -37.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | T46 M202 H203 V208 F209 S210 | T46-G206 WeakPolarHBondContact OG1-CA 3.47Å; M202-G206 PolarHBondContact O-N 2.78Å; H203-G206 PolarHBondContact O-N 3.04Å; G206-V208 PolarHBondContact O-N 3.03Å; G206-F209 PolarHBondContact O-N 3.03Å; G206-S210 WeakPolarHBondContact O-CB 3.25Å; G206-S210 PolarHBondContact O-N 3.46Å |
| 207 | R | 97.8 | Very high | 87.4 | Confident | 104 Ų | 104 | 43.4 Ų | 43.4 | 39% | 0.392 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -64.7 | -39.1 | 175.5 | -69.5 | -86 | 50.3 | 170.6 | -2.3 | 113.4 | H203 S204 V205 S210 | H203-R207 WeakPolarHBondContact O-CG 3.36Å; H203-R207 PolarHBondContact O-N 3.49Å; S204-R207 WeakPolarHBondContact O-CB 3.49Å; S204-R207 PolarHBondContact O-N 3.18Å; V205-R207 PolarHBondContact O-N 3.24Å; R207-S210 PolarHBondContact NH2-OG 3Å; R207-S210 PolarHBondContact O-OG 2.98Å |
| 208 | V | 97.4 | Very high | 84.8 | Confident | 8 Ų | 8 | 53.9 Ų | 53.9 | 5% | 0.048 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65 | -49.1 | 172.7 | 176.4 | 0 | 0 | 0 | 0 | 110.9 | L87 R88 F95 S204 V205 G206 S210 K211 | L87-V208 HydrophobicContact CB-CG2 4.03Å; R88-V208 HydrophobicContact CG-CG2 3.89Å; F95-V208 HydrophobicContact CD1-CG1 4.25Å; F95-V208 HydrophobicContact CD2-CB 4.31Å; F95-V208 HydrophobicContact CD2-CG1 3.78Å; F95-V208 HydrophobicContact CD2-CG2 4.42Å; F95-V208 HydrophobicContact CE1-CB 4.5Å; F95-V208 HydrophobicContact CE1-CG1 4.02Å; F95-V208 HydrophobicContact CE2-CB 3.61Å; F95-V208 HydrophobicContact CE2-CG1 3.54Å; F95-V208 HydrophobicContact CE2-CG2 3.85Å; F95-V208 HydrophobicContact CG-CG1 4.12Å; F95-V208 HydrophobicContact CZ-CB 3.71Å; F95-V208 HydrophobicContact CZ-CG1 3.65Å; F95-V208 HydrophobicContact CZ-CG2 4.43Å; S204-V208 PolarHBondContact O-N 3.32Å; V205-V208 PolarHBondContact O-N 3.19Å; V205-V208 VanDerWaalsContact O-N 3.14Å; G206-V208 PolarHBondContact O-N 3.03Å; V208-S210 VanDerWaalsContact C-N 3.3Å; V208-S210 PolarHBondContact O-N 3.21Å; V208-K211 PolarHBondContact O-N 3.09Å; V208-K211 VanDerWaalsContact O-N 3.07Å |
| 209 | F | 97.1 | Very high | 82.1 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.1 | -34.2 | 179.7 | -77.7 | -53.5 | 0 | 0 | 0 | 113.6 | L39 L42 Q43 T46 F95 L96 L99 V205 G206 K211 W212 | L39-F209 HydrophobicContact CD1-CB 4.31Å; L39-F209 HydrophobicContact CD1-CD1 3.9Å; L39-F209 HydrophobicContact CD1-CG 4.48Å; L42-F209 HydrophobicContact CB-CD1 4.46Å; L42-F209 HydrophobicContact CB-CD2 4.33Å; L42-F209 HydrophobicContact CB-CE1 4.3Å; L42-F209 HydrophobicContact CB-CE2 4.16Å; L42-F209 HydrophobicContact CB-CG 4.47Å; L42-F209 HydrophobicContact CB-CZ 4.14Å; L42-F209 HydrophobicContact CD1-CD1 4.46Å; L42-F209 HydrophobicContact CD1-CE1 3.76Å; L42-F209 HydrophobicContact CD1-CZ 3.91Å; L42-F209 HydrophobicContact CD2-CE2 4.37Å; L42-F209 HydrophobicContact CD2-CZ 4.04Å; L42-F209 HydrophobicContact CG-CE1 4.48Å; L42-F209 HydrophobicContact CG-CZ 4.26Å; Q43-F209 HydrophobicContact CG-CB 3.85Å; Q43-F209 PolarHBondContact NE2-O 3.46Å; T46-F209 HydrophobicContact CG2-CD2 3.89Å; T46-F209 HydrophobicContact CG2-CE2 3.95Å; F95-F209 HydrophobicContact CD1-CE1 4.39Å; F95-F209 HydrophobicContact CE1-CD1 4.02Å; F95-F209 HydrophobicContact CE1-CD2 4.37Å; F95-F209 AromaticContact CE1-CE1 3.57Å; F95-F209 HydrophobicContact CE1-CE1 3.57Å; F95-F209 AromaticContact CE1-CE2 3.97Å; F95-F209 HydrophobicContact CE1-CE2 3.97Å; F95-F209 HydrophobicContact CE1-CG 4.4Å; F95-F209 AromaticContact CE1-CZ 3.55Å; F95-F209 HydrophobicContact CE1-CZ 3.55Å; F95-F209 HydrophobicContact CZ-CD2 4.39Å; F95-F209 HydrophobicContact CZ-CE1 4.46Å; F95-F209 HydrophobicContact CZ-CE2 4.19Å; F95-F209 HydrophobicContact CZ-CZ 4.23Å; L96-F209 HydrophobicContact CD2-CE1 4.05Å; L96-F209 HydrophobicContact CD2-CZ 4.1Å; L99-F209 HydrophobicContact CD2-CE2 3.79Å; L99-F209 HydrophobicContact CD2-CZ 3.73Å; V205-F209 HydrophobicContact CG1-CD2 3.73Å; V205-F209 HydrophobicContact CG1-CE2 3.51Å; V205-F209 WeakPolarHBondContact O-CD2 3.48Å; V205-F209 PolarHBondContact O-N 2.76Å; G206-F209 PolarHBondContact O-N 3.03Å; F209-K211 PolarHBondContact O-N 3.2Å; F209-K211 VanDerWaalsContact O-N 3.17Å; F209-W212 HydrophobicContact CD1-CD2 4.21Å; F209-W212 HydrophobicContact CD1-CE3 4.2Å; F209-W212 HydrophobicContact CE1-CE3 4.35Å; F209-W212 HydrophobicContact CE1-CH2 4.42Å; F209-W212 HydrophobicContact CE1-CZ3 4.23Å; F209-W212 WeakPolarHBondContact O-CB 3.5Å; F209-W212 PolarHBondContact O-N 3.22Å |
| 210 | S | 95.1 | Very high | 79.6 | Confident | 32 Ų | 32 | 68.1 Ų | 68.1 | 22% | 0.224 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -57.7 | -30.5 | 176.3 | 72.3 | 0 | 0 | 0 | 0 | 112.5 | G206 R207 V208 | G206-S210 WeakPolarHBondContact O-CB 3.25Å; G206-S210 PolarHBondContact O-N 3.46Å; R207-S210 PolarHBondContact NH2-OG 3Å; R207-S210 PolarHBondContact O-OG 2.98Å; V208-S210 VanDerWaalsContact C-N 3.3Å; V208-S210 PolarHBondContact O-N 3.21Å |
| 211 | K | 94.4 | Very high | 77 | Confident | 90 Ų | 90 | 75.1 Ų | 75.1 | 39% | 0.391 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -82.4 | -15.7 | 178.5 | -64.4 | -53.9 | -169.8 | 178.8 | 0 | 114.2 | V208 F209 G213 E214 | V208-K211 PolarHBondContact O-N 3.09Å; V208-K211 VanDerWaalsContact O-N 3.07Å; F209-K211 PolarHBondContact O-N 3.2Å; F209-K211 VanDerWaalsContact O-N 3.17Å; K211-G213 PolarHBondContact O-N 3.34Å; K211-E214 WeakPolarHBondContact CD-OE1 3.42Å; K211-E214 VanDerWaalsContact CD-OE2 3.26Å; K211-E214 WeakPolarHBondContact CD-OE2 3.44Å; K211-E214 IonicContact NZ-OE1 3.13Å; K211-E214 PolarHBondContact NZ-OE1 2.87Å; K211-E214 IonicContact NZ-OE2 3.74Å; K211-E214 PolarHBondContact NZ-OE2 3.21Å; K211-E214 PolarHBondContact O-N 3.2Å |
| 212 | W | 91.3 | Very high | 74.3 | Confident | 22 Ų | 22 | 83.1 Ų | 83.1 | 8% | 0.083 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -73.8 | -16.9 | 178 | -73.7 | 28.3 | 0 | 0 | 0 | 113.4 | Y35 L39 R92 F95 L96 M153 L157 F209 | Y35-W212 PolarHBondContact OH-O 3.49Å; L39-W212 HydrophobicContact CD1-CB 3.89Å; L39-W212 HydrophobicContact CD1-CE3 4.36Å; L39-W212 HydrophobicContact CD2-CB 3.87Å; R92-W212 HydrophobicContact CB-CH2 3.61Å; R92-W212 HydrophobicContact CB-CZ2 3.71Å; R92-W212 HydrophobicContact CB-CZ3 4.32Å; R92-W212 HydrophobicContact CG-CD2 4.33Å; R92-W212 HydrophobicContact CG-CH2 3.85Å; R92-W212 HydrophobicContact CG-CZ2 3.63Å; R92-W212 HydrophobicContact CG-CZ3 4.31Å; F95-W212 HydrophobicContact CB-CZ2 4.31Å; F95-W212 AromaticContact CD1-CH2 3.94Å; F95-W212 HydrophobicContact CD1-CH2 3.94Å; F95-W212 AromaticContact CD1-CZ2 3.46Å; F95-W212 HydrophobicContact CD1-CZ2 3.46Å; F95-W212 VanDerWaalsContact CD1-CZ2 3.46Å; F95-W212 HydrophobicContact CE1-CZ2 4.1Å; F95-W212 HydrophobicContact CG-CZ2 4.17Å; L96-W212 HydrophobicContact CD1-CH2 4.03Å; L96-W212 HydrophobicContact CD1-CZ3 4.33Å; L96-W212 HydrophobicContact CD2-CH2 3.93Å; L96-W212 HydrophobicContact CD2-CZ3 4.32Å; L96-W212 HydrophobicContact CG-CH2 3.8Å; L96-W212 HydrophobicContact CG-CZ3 4.45Å; M153-W212 HydrophobicContact CG-CZ3 4.1Å; L157-W212 HydrophobicContact CD1-CH2 4.37Å; L157-W212 HydrophobicContact CD1-CZ3 4.21Å; F209-W212 HydrophobicContact CD1-CD2 4.21Å; F209-W212 HydrophobicContact CD1-CE3 4.2Å; F209-W212 HydrophobicContact CE1-CE3 4.35Å; F209-W212 HydrophobicContact CE1-CH2 4.42Å; F209-W212 HydrophobicContact CE1-CZ3 4.23Å; F209-W212 WeakPolarHBondContact O-CB 3.5Å; F209-W212 PolarHBondContact O-N 3.22Å |
| 213 | G | 77.5 | Confident | 71.7 | Confident | 19 Ų | 19 | 87.9 Ų | 87.9 | 20% | 0.196 | 43% | 0.428 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -23.6 | 174 | 0 | 0 | 0 | 0 | 0 | 113.5 | R36 K211 S215 | R36-G213 PolarHBondContact NH1-O 3.49Å; K211-G213 PolarHBondContact O-N 3.34Å; G213-S215 PolarHBondContact O-N 3.32Å |
| 214 | E | 64.4 | Low | 69.1 | Low | 115 Ų | 115 | 89.5 Ų | 89.5 | 54% | 0.537 | 45% | 0.445 | S | S | . | . | trans | -83.2 | 81.6 | 178.5 | -62.7 | 173 | -162.5 | 0 | 0 | 109.1 | K211 | K211-E214 WeakPolarHBondContact CD-OE1 3.42Å; K211-E214 VanDerWaalsContact CD-OE2 3.26Å; K211-E214 WeakPolarHBondContact CD-OE2 3.44Å; K211-E214 IonicContact NZ-OE1 3.13Å; K211-E214 PolarHBondContact NZ-OE1 2.87Å; K211-E214 IonicContact NZ-OE2 3.74Å; K211-E214 PolarHBondContact NZ-OE2 3.21Å; K211-E214 PolarHBondContact O-N 3.2Å | ||
| 215 | S | 47.3 | Very low | 66.5 | Low | 46 Ų | 46 | 98 Ų | 98 | 32% | 0.322 | 48% | 0.484 | S | S | . | . | trans | -67.7 | 140.4 | 167.7 | -63.6 | 0 | 0 | 0 | 0 | 109.8 | G213 N217 R218 | G213-S215 PolarHBondContact O-N 3.32Å; S215-N217 PolarHBondContact O-N 3.3Å; S215-N217 VanDerWaalsContact O-N 3.12Å; S215-R218 PolarHBondContact O-N 3.12Å | ||
| 216 | P | 46.4 | Very low | 63.9 | Low | 132 Ų | 132 | 107.1 Ų | 107.1 | 86% | 0.857 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -21.4 | 171.2 | -14.2 | 25.2 | 0 | 0 | 0 | 112.4 | R218 | P216-R218 PolarHBondContact O-N 3.12Å; P216-R218 VanDerWaalsContact O-N 3.12Å |
| 217 | N | 41.7 | Very low | 61.3 | Low | 159 Ų | 159 | 111 Ų | 111 | 85% | 0.85 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.1 | 7.6 | 178.5 | -98.2 | -1.6 | 0 | 0 | 0 | 115.4 | S215 S219 | S215-N217 PolarHBondContact O-N 3.3Å; S215-N217 VanDerWaalsContact O-N 3.12Å; N217-S219 PolarHBondContact O-N 2.64Å |
| 218 | R | 44 | Very low | 58.8 | Low | 219 Ų | 219 | 113.1 Ų | 113.1 | 83% | 0.826 | 58% | 0.577 | S | S | * | * | trans | -73.3 | 71.7 | 152.2 | -79.3 | -173.9 | 176.3 | 177 | -0.6 | 108 | S215 P216 R220 | S215-R218 PolarHBondContact O-N 3.12Å; P216-R218 PolarHBondContact O-N 3.12Å; P216-R218 VanDerWaalsContact O-N 3.12Å; R218-R220 PolarHBondContact O-N 3.28Å | ||
| 219 | S | 42.8 | Very low | 56.1 | Low | 85 Ų | 85 | 124.8 Ų | 124.8 | 59% | 0.594 | 62% | 0.62 | S | S | * | * | trans | -32.7 | 130.5 | 154.9 | 159.7 | 0 | 0 | 0 | 0 | 108.4 | N217 R221 | N217-S219 PolarHBondContact O-N 2.64Å; S219-R221 PolarHBondContact O-N 2.86Å | ||
| 220 | R | 44.4 | Very low | 53.4 | Low | 228 Ų | 228 | 133.5 Ų | 133.5 | 86% | 0.86 | 66% | 0.658 | S | S | * | * | trans | -44.3 | 80.5 | 156.9 | -70.9 | 174.7 | 177.1 | 172.8 | -1.7 | 108.5 | R218 H222 | R218-R220 PolarHBondContact O-N 3.28Å; R220-H222 PolarHBondContact O-N 2.89Å | ||
| 221 | R | 45.3 | Very low | 50.8 | Low | 225 Ų | 225 | 135.2 Ų | 135.2 | 85% | 0.849 | 68% | 0.681 | S | S | * | * | trans | -70 | 94.2 | 158 | -75.6 | -168.5 | -167.4 | -155.6 | 3.1 | 103.3 | S219 S223 | S219-R221 PolarHBondContact O-N 2.86Å; R221-S223 VanDerWaalsContact C-N 3.28Å; R221-S223 PolarHBondContact O-N 2.86Å | ||
| 222 | H | 41.9 | Very low | 48.3 | Very low | 167 Ų | 167 | 137.4 Ų | 137.4 | 77% | 0.773 | 70% | 0.701 | S | S | * | * | trans | -41.8 | 103.9 | 154.7 | -76.8 | -41.4 | 0 | 0 | 0 | 106.9 | R220 P224 | R220-H222 PolarHBondContact O-N 2.89Å; H222-P224 WeakPolarHBondContact O-CD 3.43Å | ||
| 223 | S | 42.4 | Very low | 46 | Very low | 101 Ų | 101 | 148 Ų | 148 | 71% | 0.706 | 74% | 0.742 | S | S | * | * | trans | -55.5 | 121.4 | 156 | -57.8 | 0 | 0 | 0 | 0 | 105 | R221 H225 | R221-S223 VanDerWaalsContact C-N 3.28Å; R221-S223 PolarHBondContact O-N 2.86Å; S223-H225 PolarHBondContact O-N 3.05Å; S223-H225 VanDerWaalsContact O-N 3.1Å | ||
| 224 | P | 44.2 | Very low | 44.1 | Very low | 119 Ų | 119 | 157.6 Ų | 157.6 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | trans | -59.3 | 124.5 | 170.9 | -9.1 | 22.3 | 0 | 0 | 0 | 105.6 | H222 Q226 | H222-P224 WeakPolarHBondContact O-CD 3.43Å; P224-Q226 PolarHBondContact O-N 3.1Å | ||
| 225 | H | 44.4 | Very low | 42.8 | Very low | 182 Ų | 182 | 157.9 Ų | 157.9 | 84% | 0.843 | 78% | 0.782 | S | S | * | * | trans | -39.8 | 118.6 | 173.4 | -70.1 | -81.4 | 0 | 0 | 0 | 109.2 | S223 A227 | S223-H225 PolarHBondContact O-N 3.05Å; S223-H225 VanDerWaalsContact O-N 3.1Å; H225-A227 PolarHBondContact O-N 3Å | ||
| 226 | Q | 44 | Very low | 42.6 | Very low | 193 Ų | 193 | 167.2 Ų | 167.2 | 90% | 0.902 | 81% | 0.81 | S | S | * | * | trans | -59.8 | 92.3 | 158.8 | -86 | 177 | -16.9 | 0 | 0 | 105.9 | P224 L228 | P224-Q226 PolarHBondContact O-N 3.1Å; Q226-L228 PolarHBondContact O-N 2.75Å | ||
| 227 | A | 44.5 | Very low | 42.7 | Very low | 86 Ų | 86 | 166.8 Ų | 166.8 | 71% | 0.711 | 81% | 0.807 | S | S | * | * | trans | -59.1 | 110.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 107 | H225 R229 | H225-A227 PolarHBondContact O-N 3Å; A227-R229 PolarHBondContact O-N 2.85Å | ||
| 228 | L | 45.3 | Very low | 42.7 | Very low | 148 Ų | 148 | 164.3 Ų | 164.3 | 78% | 0.775 | 80% | 0.802 | S | S | * | * | trans | -39.7 | 93.1 | 166 | -135.8 | 89.7 | 0 | 0 | 0 | 109.9 | Q226 K230 | Q226-L228 PolarHBondContact O-N 2.75Å; L228-K230 HydrophobicContact CD2-CB 4.37Å; L228-K230 HydrophobicContact CD2-CD 4.16Å; L228-K230 PolarHBondContact O-N 2.94Å | ||
| 229 | R | 40.1 | Very low | 42.5 | Very low | 252 Ų | 252 | 165 Ų | 165 | 95% | 0.951 | 81% | 0.805 | S | S | * | * | trans | -78.5 | 72.2 | 162.5 | -80.2 | -166.2 | 176.5 | -172.6 | 0.8 | 108.3 | A227 | A227-R229 PolarHBondContact O-N 2.85Š| ||
| 230 | K | 39.3 | Very low | 42.3 | Very low | 184 Ų | 184 | 170.8 Ų | 170.8 | 80% | 0.8 | 82% | 0.819 | S | S | * | * | trans | -80 | 132.5 | 158 | -124 | 176.4 | -178.2 | 179.4 | 0 | 107.2 | L228 | L228-K230 HydrophobicContact CD2-CB 4.37Å; L228-K230 HydrophobicContact CD2-CD 4.16Å; L228-K230 PolarHBondContact O-N 2.94Å | ||
| 231 | G | 40.8 | Very low | 41.9 | Very low | 68 Ų | 68 | 163 Ų | 163 | 70% | 0.701 | 81% | 0.809 | S | S | * | * | trans | -81.6 | 168.9 | -151.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 232 | V | 42.2 | Very low | 41.7 | Very low | 135 Ų | 135 | 160.5 Ų | 160.5 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | trans | -141.9 | 92.8 | 146.6 | -178.1 | 0 | 0 | 0 | 0 | 107.2 | R234 | V232-R234 HydrophobicContact CG1-CB 4.47Š| ||
| 233 | R | 43 | Very low | 41.6 | Very low | 246 Ų | 246 | 163 Ų | 163 | 93% | 0.928 | 82% | 0.815 | S | S | * | * | trans | -79.8 | 111.9 | 153.5 | -86 | -176.9 | 174.5 | -179.1 | -1.3 | 106.5 | ||||
| 234 | R | 37 | Very low | 41.7 | Very low | 220 Ų | 220 | 166.5 Ų | 166.5 | 83% | 0.83 | 83% | 0.825 | S | S | * | * | trans | 170.1 | 137 | 163.9 | -103.1 | 169.7 | -167.4 | -167.5 | 4.9 | 105.9 | V232 | V232-R234 HydrophobicContact CG1-CB 4.47Š| ||
| 235 | T | 37.1 | Very low | 42.1 | Very low | 121 Ų | 121 | 168.2 Ų | 168.2 | 74% | 0.742 | 83% | 0.825 | S | S | * | * | cis | -167.4 | 137.9 | 1.5 | -17.7 | 0 | 0 | 0 | 0 | 103.5 | ||||
| 236 | R | 44.5 | Very low | 42.5 | Very low | 242 Ų | 242 | 164.8 Ų | 164.8 | 91% | 0.913 | 82% | 0.819 | S | S | * | * | trans | -79.2 | 140.4 | 164.8 | -150.6 | 179.6 | -168.2 | 178.7 | 2.8 | 107.6 | ||||
| 237 | P | 48.8 | Very low | 42.6 | Very low | 123 Ų | 123 | 168 Ų | 168 | 80% | 0.799 | 82% | 0.823 | S | S | * | * | trans | -132.5 | 142.9 | 137.3 | 21.7 | -3 | 0 | 0 | 0 | 113.2 | ||||
| 238 | S | 41.2 | Very low | 42.4 | Very low | 107 Ų | 107 | 167.6 Ų | 167.6 | 75% | 0.748 | 83% | 0.827 | S | S | * | * | trans | -89.9 | 143.2 | 167.7 | 165.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 239 | R | 40.3 | Very low | 42.5 | Very low | 234 Ų | 234 | 170 Ų | 170 | 88% | 0.883 | 83% | 0.834 | S | S | * | * | trans | 153.4 | 114.9 | 145.2 | -89.1 | 175.5 | 173.2 | -171 | -1.4 | 108.8 | ||||
| 240 | K | 37.8 | Very low | 42.7 | Very low | 206 Ų | 206 | 166 Ų | 166 | 90% | 0.896 | 83% | 0.83 | S | S | * | * | 71.8 | 104.4 | 76.9 | -160.5 | -179.5 | -172 | -177.6 | 0 | 112.8 | |||||
| 241 | G | 36 | Very low | 43.4 | Very low | 63 Ų | 63 | 162.8 Ų | 162.8 | 65% | 0.649 | 83% | 0.829 | S | S | * | * | trans | 87.4 | 114.5 | 142.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 242 | N | 41.5 | Very low | 43.2 | Very low | 173 Ų | 173 | 174.9 Ų | 174.9 | 93% | 0.925 | 85% | 0.853 | S | S | * | * | -159.8 | 131.8 | 119.8 | -99.3 | -15.4 | 0 | 0 | 0 | 112.5 | |||||
| 243 | R | 38.9 | Very low | 43.3 | Very low | 220 Ų | 220 | 176.9 Ų | 176.9 | 83% | 0.83 | 86% | 0.855 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 139.4 | 173.8 | -74.8 | 168.9 | 166 | 168.2 | -6.3 | 110.4 | ||
| 244 | L | 45.3 | Very low | 43.3 | Very low | 175 Ų | 175 | 173.3 Ų | 173.3 | 92% | 0.916 | 85% | 0.851 | S | S | * | * | P | Polyproline II helix | trans | -94.9 | 120.3 | 153.2 | -71 | 166.9 | 0 | 0 | 0 | 107.2 | ||
| 245 | M | 51.5 | Low | 43.7 | Very low | 154 Ų | 154 | 170.7 Ų | 170.7 | 76% | 0.759 | 85% | 0.852 | S | S | * | * | P | Polyproline II helix | trans | -92.6 | 153.6 | 168.1 | -84.9 | -73.9 | 121.4 | 0 | 0 | 109.9 | ||
| 246 | P | 54.4 | Low | 44 | Very low | 111 Ų | 111 | 173.6 Ų | 173.6 | 72% | 0.721 | 86% | 0.859 | S | S | * | * | P | Polyproline II helix | trans | -96.4 | 151.9 | -163.4 | 37.1 | -32.4 | 0 | 0 | 0 | 112.7 | ||
| 247 | R | 44.4 | Very low | 44 | Very low | 260 Ų | 260 | 169.3 Ų | 169.3 | 98% | 0.981 | 86% | 0.855 | S | S | * | * | trans | -162.7 | 127.8 | 154.3 | -121.6 | 175.6 | -178.3 | 173.9 | -0.1 | 111.3 | ||||
| 248 | G | 41.9 | Very low | 43.7 | Very low | 77 Ų | 77 | 172.4 Ų | 172.4 | 79% | 0.794 | 86% | 0.859 | S | S | * | * | trans | 152.1 | 73.7 | 168.1 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 249 | Q | 46.8 | Very low | 43.9 | Very low | 198 Ų | 198 | 177.1 Ų | 177.1 | 93% | 0.925 | 87% | 0.867 | S | S | * | * | trans | -63.2 | 143.2 | 161.9 | -76.1 | 179.6 | -21.1 | 0 | 0 | 110.2 | ||||
| 250 | L | 43.3 | Very low | 44.1 | Very low | 168 Ų | 168 | 172.7 Ų | 172.7 | 88% | 0.88 | 87% | 0.866 | S | S | * | * | trans | -135.2 | 137 | 154.3 | -96.8 | 163.6 | 0 | 0 | 0 | 108 | ||||
| 251 | P | 53.8 | Low | 44.7 | Very low | 118 Ų | 118 | 169.9 Ų | 169.9 | 77% | 0.766 | 86% | 0.863 | S | S | * | * | trans | -90.4 | 145.6 | -169.8 | 34.7 | -32.5 | 0 | 0 | 0 | 112.9 | ||||
| 252 | R | 38.3 | Very low | 45.5 | Very low | 322 Ų | 322 | 179.6 Ų | 179.6 | 100% | 1.215 | 88% | 0.883 | S | S | * | * | trans | -147.1 | 0 | 136.5 | -104.5 | -173 | -177.5 | 159 | 1.6 | 108.5 |
Retrieved 252 of 252 residues in 506.4 ms
(Link to these results)