| 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 | 40.4 | Very low | 39.2 | Very low | 242 Ų | 242 | 133.6 Ų | 133.6 | 100% | 1.192 | 75% | 0.754 | S | S | * | * | 0 | 105.1 | 0 | -76.8 | -156.8 | -93.5 | 0 | 0 | 107.6 | |||||
| 2 | S | 30.4 | Very low | 40.2 | Very low | 113 Ų | 113 | 135.2 Ų | 135.2 | 79% | 0.79 | 75% | 0.75 | S | S | * | * | trans | -143.5 | 99.9 | 170.9 | -51.2 | 0 | 0 | 0 | 0 | 104.4 | T4 | S2-T4 PolarHBondContact O-N 3.03Š| ||
| 3 | E | 32.6 | Very low | 40.5 | Very low | 181 Ų | 181 | 131.8 Ų | 131.8 | 85% | 0.846 | 73% | 0.73 | S | S | * | * | trans | -79 | 103.6 | 179.7 | -68.2 | 175.6 | 132.4 | 0 | 0 | 108.5 | L5 | E3-L5 VanDerWaalsContact C-N 3.34Å; E3-L5 PolarHBondContact O-N 3.36Å; E3-L5 VanDerWaalsContact O-N 3.08Å | ||
| 4 | T | 33.1 | Very low | 41.1 | Very low | 127 Ų | 127 | 130.1 Ų | 130.1 | 78% | 0.779 | 72% | 0.719 | S | S | * | * | trans | -77.9 | 87.9 | 168.3 | 43.6 | 0 | 0 | 0 | 0 | 109.1 | S2 I6 | S2-T4 PolarHBondContact O-N 3.03Å; T4-I6 PolarHBondContact O-N 2.79Å; T4-I6 VanDerWaalsContact O-N 3.08Å | ||
| 5 | L | 34.2 | Very low | 41.3 | Very low | 153 Ų | 153 | 129.5 Ų | 129.5 | 80% | 0.801 | 71% | 0.713 | S | S | * | * | trans | -65 | 98.3 | 168.3 | -81.3 | 157.2 | 0 | 0 | 0 | 110 | E3 | E3-L5 VanDerWaalsContact C-N 3.34Å; E3-L5 PolarHBondContact O-N 3.36Å; E3-L5 VanDerWaalsContact O-N 3.08Å | ||
| 6 | I | 36 | Very low | 41.6 | Very low | 154 Ų | 154 | 124.7 Ų | 124.7 | 79% | 0.79 | 70% | 0.695 | S | S | * | * | trans | -83.5 | 116.7 | 169.2 | -58.5 | 176.8 | 0 | 0 | 0 | 107.9 | T4 | T4-I6 PolarHBondContact O-N 2.79Å; T4-I6 VanDerWaalsContact O-N 3.08Å | ||
| 7 | T | 42.6 | Very low | 42 | Very low | 112 Ų | 112 | 123.5 Ų | 123.5 | 69% | 0.687 | 69% | 0.688 | S | S | * | * | trans | -103.7 | 82.8 | 179.6 | -53.8 | 0 | 0 | 0 | 0 | 109.2 | Q9 | T7-Q9 HydrophobicContact CG2-CG 4.49Š| ||
| 8 | G | 38.5 | Very low | 42.4 | Very low | 49 Ų | 49 | 124.4 Ų | 124.4 | 51% | 0.505 | 68% | 0.683 | S | S | . | * | trans | -77 | 126.3 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 9 | Q | 49.8 | Very low | 42.5 | Very low | 176 Ų | 176 | 124.7 Ų | 124.7 | 82% | 0.822 | 68% | 0.679 | S | S | * | * | trans | -95.9 | -10.2 | -177.8 | -75.5 | -167.7 | -7.4 | 0 | 0 | 114.3 | T7 | T7-Q9 HydrophobicContact CG2-CG 4.49Š| ||
| 10 | T | 51.5 | Low | 42.8 | Very low | 70 Ų | 70 | 123 Ų | 123 | 43% | 0.429 | 67% | 0.673 | S | S | . | * | S | Bend | trans | -136.9 | 161.9 | 175.9 | 74.9 | 0 | 0 | 0 | 0 | 112 | E12 D13 | T10-E12 VanDerWaalsContact C-N 3.27Å; T10-E12 PolarHBondContact O-N 2.93Å; T10-D13 PolarHBondContact OG1-OD2 3.16Å; T10-D13 VanDerWaalsContact OG1-OD2 3.05Å |
| 11 | S | 41.9 | Very low | 43.1 | Very low | 93 Ų | 93 | 122.4 Ų | 122.4 | 65% | 0.65 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.9 | -11.9 | 177.6 | 46.5 | 0 | 0 | 0 | 0 | 114.1 | ||
| 12 | E | 51.1 | Low | 43.3 | Very low | 152 Ų | 152 | 117.5 Ų | 117.5 | 71% | 0.71 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.2 | -37.3 | -175.9 | -65.1 | -179.8 | 132.9 | 0 | 0 | 111.8 | T10 L14 L15 A16 | T10-E12 VanDerWaalsContact C-N 3.27Å; T10-E12 PolarHBondContact O-N 2.93Å; E12-L14 VanDerWaalsContact C-N 3.29Å; E12-L14 PolarHBondContact O-N 3.21Å; E12-L15 WeakPolarHBondContact O-CB 3.38Å; E12-L15 PolarHBondContact O-N 2.83Å; E12-A16 PolarHBondContact O-N 2.9Å |
| 13 | D | 45 | Very low | 43.8 | Very low | 92 Ų | 92 | 118.1 Ų | 118.1 | 49% | 0.492 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -58.4 | -41 | 176.2 | -60.6 | -50.7 | 0 | 0 | 0 | 111.9 | T10 L15 A16 D17 | T10-D13 PolarHBondContact OG1-OD2 3.16Å; T10-D13 VanDerWaalsContact OG1-OD2 3.05Å; D13-L15 PolarHBondContact O-N 2.68Å; D13-A16 PolarHBondContact O-N 3.4Å; D13-D17 PolarHBondContact O-N 3.33Å |
| 14 | L | 48.6 | Very low | 44.3 | Very low | 108 Ų | 108 | 113 Ų | 113 | 57% | 0.565 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -67.7 | -22 | 177.7 | -69.3 | 173.3 | 0 | 0 | 0 | 113.4 | E12 F18 | E12-L14 VanDerWaalsContact C-N 3.29Å; E12-L14 PolarHBondContact O-N 3.21Å; L14-F18 WeakPolarHBondContact O-CD2 3.13Å; L14-F18 PolarHBondContact O-N 3.17Å |
| 15 | L | 43.8 | Very low | 44.7 | Very low | 120 Ų | 120 | 109.7 Ų | 109.7 | 63% | 0.628 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -81.1 | -38.4 | 176.8 | -96 | 151.6 | 0 | 0 | 0 | 111.3 | E12 D13 F18 E19 | E12-L15 WeakPolarHBondContact O-CB 3.38Å; E12-L15 PolarHBondContact O-N 2.83Å; D13-L15 PolarHBondContact O-N 2.68Å; L15-F18 PolarHBondContact O-N 3.34Å; L15-E19 WeakPolarHBondContact O-CB 3.45Å; L15-E19 PolarHBondContact O-N 2.99Å |
| 16 | A | 46.2 | Very low | 44.9 | Very low | 53 Ų | 53 | 105.5 Ų | 105.5 | 44% | 0.438 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -65.2 | -40.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | E12 D13 F18 E19 T20 | E12-A16 PolarHBondContact O-N 2.9Å; D13-A16 PolarHBondContact O-N 3.4Å; A16-F18 VanDerWaalsContact C-N 3.3Å; A16-F18 PolarHBondContact O-N 2.9Å; A16-E19 PolarHBondContact O-N 3.23Å; A16-T20 WeakPolarHBondContact O-CG2 3.3Å; A16-T20 PolarHBondContact O-N 3.19Å; A16-T20 PolarHBondContact O-OG1 3.13Å |
| 17 | D | 49.3 | Very low | 45.4 | Very low | 105 Ų | 105 | 102.5 Ų | 102.5 | 56% | 0.561 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -66.2 | -31.8 | 174.3 | -77.5 | -10 | 0 | 0 | 0 | 112.2 | D13 T20 L21 | D13-D17 PolarHBondContact O-N 3.33Å; D17-T20 WeakPolarHBondContact CA-OG1 3.42Å; D17-T20 PolarHBondContact O-OG1 2.9Å; D17-T20 VanDerWaalsContact O-OG1 3.07Å; D17-L21 PolarHBondContact O-N 2.96Å |
| 18 | F | 47.6 | Very low | 45.1 | Very low | 140 Ų | 140 | 104.6 Ų | 104.6 | 61% | 0.614 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -74.2 | -38.3 | 174.1 | -103.8 | -96.1 | 0 | 0 | 0 | 113 | L14 L15 A16 L21 L22 | L14-F18 WeakPolarHBondContact O-CD2 3.13Å; L14-F18 PolarHBondContact O-N 3.17Å; L15-F18 PolarHBondContact O-N 3.34Å; A16-F18 VanDerWaalsContact C-N 3.3Å; A16-F18 PolarHBondContact O-N 2.9Å; F18-L21 PolarHBondContact O-N 3.16Å; F18-L22 PolarHBondContact O-N 3.37Å; F18-L22 VanDerWaalsContact O-N 3.14Å |
| 19 | E | 45.6 | Very low | 45.3 | Very low | 130 Ų | 130 | 106.3 Ų | 106.3 | 61% | 0.607 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -70.9 | -36.2 | 179.7 | -166 | 171 | -141.6 | 0 | 0 | 111.5 | L15 A16 L22 N23 | L15-E19 WeakPolarHBondContact O-CB 3.45Å; L15-E19 PolarHBondContact O-N 2.99Å; A16-E19 PolarHBondContact O-N 3.23Å; E19-L22 PolarHBondContact O-N 3.14Å; E19-N23 VanDerWaalsContact O-CB 3.29Å; E19-N23 WeakPolarHBondContact O-CB 3.26Å; E19-N23 VanDerWaalsContact O-CG 3.27Å; E19-N23 PolarHBondContact O-N 3.17Å; E19-N23 PolarHBondContact O-ND2 3.01Å |
| 20 | T | 47.4 | Very low | 44.7 | Very low | 89 Ų | 89 | 99.9 Ų | 99.9 | 55% | 0.546 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -67.8 | -37.7 | 172.6 | 48.4 | 0 | 0 | 0 | 0 | 113 | A16 D17 N23 S24 | A16-T20 WeakPolarHBondContact O-CG2 3.3Å; A16-T20 PolarHBondContact O-N 3.19Å; A16-T20 PolarHBondContact O-OG1 3.13Å; D17-T20 WeakPolarHBondContact CA-OG1 3.42Å; D17-T20 PolarHBondContact O-OG1 2.9Å; D17-T20 VanDerWaalsContact O-OG1 3.07Å; T20-N23 PolarHBondContact O-N 3.12Å; T20-S24 PolarHBondContact O-N 3.12Å |
| 21 | L | 48.8 | Very low | 44.2 | Very low | 112 Ų | 112 | 106.5 Ų | 106.5 | 59% | 0.586 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -61.7 | -41.8 | 172.5 | -90.1 | 164.3 | 0 | 0 | 0 | 112.5 | D17 F18 S24 | D17-L21 PolarHBondContact O-N 2.96Å; F18-L21 PolarHBondContact O-N 3.16Å; L21-S24 PolarHBondContact O-OG 2.86Å |
| 22 | L | 46.4 | Very low | 43.9 | Very low | 138 Ų | 138 | 111.2 Ų | 111.2 | 72% | 0.723 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -73.7 | -37.7 | 178.2 | -70.5 | 171.6 | 0 | 0 | 0 | 112.9 | F18 E19 S24 | F18-L22 PolarHBondContact O-N 3.37Å; F18-L22 VanDerWaalsContact O-N 3.14Å; E19-L22 PolarHBondContact O-N 3.14Å; L22-S24 PolarHBondContact O-N 3.07Å |
| 23 | N | 40.5 | Very low | 43.3 | Very low | 126 Ų | 126 | 108.2 Ų | 108.2 | 67% | 0.674 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -70.7 | -11.3 | 177.7 | -76.2 | -30.2 | 0 | 0 | 0 | 113.9 | E19 T20 G25 | E19-N23 VanDerWaalsContact O-CB 3.29Å; E19-N23 WeakPolarHBondContact O-CB 3.26Å; E19-N23 VanDerWaalsContact O-CG 3.27Å; E19-N23 PolarHBondContact O-N 3.17Å; E19-N23 PolarHBondContact O-ND2 3.01Å; T20-N23 PolarHBondContact O-N 3.12Å; N23-G25 PolarHBondContact O-N 2.88Å |
| 24 | S | 42.8 | Very low | 42.9 | Very low | 75 Ų | 75 | 112.1 Ų | 112.1 | 52% | 0.524 | 61% | 0.608 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.7 | -18.4 | 178.1 | 71.3 | 0 | 0 | 0 | 0 | 114.1 | T20 L21 L22 S26 | T20-S24 PolarHBondContact O-N 3.12Å; L21-S24 PolarHBondContact O-OG 2.86Å; L22-S24 PolarHBondContact O-N 3.07Å; S24-S26 PolarHBondContact O-N 3.46Å |
| 25 | G | 40.6 | Very low | 42.5 | Very low | 56 Ų | 56 | 111.2 Ų | 111.2 | 58% | 0.577 | 60% | 0.603 | S | S | * | * | trans | 64.5 | -12.3 | 160.5 | 0 | 0 | 0 | 0 | 0 | 118.4 | N23 | N23-G25 PolarHBondContact O-N 2.88Š| ||
| 26 | S | 40.1 | Very low | 41.9 | Very low | 65 Ų | 65 | 110 Ų | 110 | 46% | 0.455 | 60% | 0.6 | S | S | . | * | trans | -151.8 | 120.1 | -174.5 | -172.9 | 0 | 0 | 0 | 0 | 110.8 | S24 Q260 | S24-S26 PolarHBondContact O-N 3.46Å; S26-Q260 PolarHBondContact OG-NE2 3.15Å | ||
| 27 | I | 44.8 | Very low | 41.8 | Very low | 92 Ų | 92 | 113.1 Ų | 113.1 | 47% | 0.472 | 61% | 0.609 | S | S | . | * | trans | -96.5 | 107.6 | 167.2 | -53.4 | 177.6 | 0 | 0 | 0 | 106.7 | L29 Y282 | I27-L29 HydrophobicContact CG2-CD2 3.68Å; I27-L29 HydrophobicContact CG2-CG 3.91Å; I27-L29 PolarHBondContact O-N 3.05Å; I27-L29 VanDerWaalsContact O-N 3.13Å; I27-Y282 HydrophobicContact CG2-CD2 3.8Å; I27-Y282 HydrophobicContact CG2-CE2 4.13Å | ||
| 28 | D | 36.8 | Very low | 41.2 | Very low | 155 Ų | 155 | 114 Ų | 114 | 83% | 0.829 | 61% | 0.612 | S | S | * | * | trans | -76.6 | 94.9 | 176.5 | -171 | 27.2 | 0 | 0 | 0 | 109.9 | G30 | D28-G30 PolarHBondContact O-N 2.98Š| ||
| 29 | L | 42.4 | Very low | 40.6 | Very low | 85 Ų | 85 | 113.2 Ų | 113.2 | 45% | 0.445 | 62% | 0.619 | S | S | . | * | trans | -90.3 | 93.4 | -177.6 | -67.6 | 175.7 | 0 | 0 | 0 | 110.7 | I27 H33 | I27-L29 HydrophobicContact CG2-CD2 3.68Å; I27-L29 HydrophobicContact CG2-CG 3.91Å; I27-L29 PolarHBondContact O-N 3.05Å; I27-L29 VanDerWaalsContact O-N 3.13Å; L29-H33 HydrophobicContact CD2-CB 4.25Å | ||
| 30 | G | 38.3 | Very low | 40.1 | Very low | 42 Ų | 42 | 111.9 Ų | 111.9 | 43% | 0.433 | 62% | 0.624 | S | S | . | * | trans | -57.9 | 163.1 | 170.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | D28 E32 H33 | D28-G30 PolarHBondContact O-N 2.98Å; G30-E32 PolarHBondContact O-N 3.41Å; G30-H33 PolarHBondContact O-ND1 3.27Å | ||
| 31 | E | 39.4 | Very low | 39.4 | Very low | 208 Ų | 208 | 113.6 Ų | 113.6 | 97% | 0.972 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.1 | 5.2 | -157.3 | -58.6 | -173 | 137.1 | 0 | 0 | 119.1 | ||
| 32 | E | 36.1 | Very low | 38.6 | Very low | 193 Ų | 193 | 113.6 Ų | 113.6 | 90% | 0.902 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.6 | 10 | -177.4 | -61.6 | -157.2 | 175.4 | 0 | 0 | 115.7 | G30 Q34 | G30-E32 PolarHBondContact O-N 3.41Å; E32-Q34 PolarHBondContact O-N 3.2Å |
| 33 | H | 39.5 | Very low | 38 | Very low | 88 Ų | 88 | 115 Ų | 115 | 41% | 0.407 | 65% | 0.654 | S | S | . | * | trans | -87.1 | 108.4 | -178.2 | -63.5 | 92.7 | 0 | 0 | 0 | 113.7 | L29 G30 | L29-H33 HydrophobicContact CD2-CB 4.25Å; G30-H33 PolarHBondContact O-ND1 3.27Å | ||
| 34 | Q | 35.3 | Very low | 37.7 | Very low | 174 Ų | 174 | 117.9 Ų | 117.9 | 81% | 0.813 | 66% | 0.663 | S | S | * | * | trans | -86.5 | 108.5 | 173.8 | -172.4 | 176.1 | 16.7 | 0 | 0 | 111.9 | E32 V36 | E32-Q34 PolarHBondContact O-N 3.2Å; Q34-V36 HydrophobicContact CG-CG2 4.09Å; Q34-V36 PolarHBondContact O-N 3.43Å | ||
| 35 | I | 40.4 | Very low | 37.1 | Very low | 90 Ų | 90 | 117.4 Ų | 117.4 | 46% | 0.462 | 67% | 0.671 | S | S | . | * | trans | -73.2 | 109.8 | 173.6 | -56.3 | 175.9 | 0 | 0 | 0 | 109.9 | I37 L261 M263 | I35-I37 HydrophobicContact CG2-CG1 4.43Å; I35-L261 HydrophobicContact CD1-CD2 4.24Å; I35-M263 HydrophobicContact CD1-CE 4.45Å | ||
| 36 | V | 32.6 | Very low | 36.6 | Very low | 94 Ų | 94 | 123 Ų | 123 | 57% | 0.57 | 69% | 0.686 | S | S | * | * | trans | -104.7 | 103 | 177.1 | -169.7 | 0 | 0 | 0 | 0 | 110.6 | Q34 I38 | Q34-V36 HydrophobicContact CG-CG2 4.09Å; Q34-V36 PolarHBondContact O-N 3.43Å; V36-I38 HydrophobicContact CB-CG1 4.45Å; V36-I38 HydrophobicContact CG1-CD1 4.13Å; V36-I38 HydrophobicContact CG1-CG1 3.63Å; V36-I38 PolarHBondContact O-N 3.02Å | ||
| 37 | I | 42.5 | Very low | 36.1 | Very low | 119 Ų | 119 | 128.4 Ų | 128.4 | 61% | 0.61 | 70% | 0.704 | S | S | * | * | trans | -78.2 | 99.7 | 173 | -56.1 | 176.9 | 0 | 0 | 0 | 109 | I35 T39 | I35-I37 HydrophobicContact CG2-CG1 4.43Å; I37-T39 PolarHBondContact O-N 2.86Å | ||
| 38 | I | 37.6 | Very low | 36.1 | Very low | 122 Ų | 122 | 129.7 Ų | 129.7 | 63% | 0.626 | 72% | 0.719 | S | S | * | * | trans | -96.2 | 88.7 | 177.3 | -51.4 | 180 | 0 | 0 | 0 | 110.3 | V36 S40 | V36-I38 HydrophobicContact CB-CG1 4.45Å; V36-I38 HydrophobicContact CG1-CD1 4.13Å; V36-I38 HydrophobicContact CG1-CG1 3.63Å; V36-I38 PolarHBondContact O-N 3.02Å; I38-S40 PolarHBondContact O-N 3.12Å | ||
| 39 | T | 33.8 | Very low | 35.6 | Very low | 125 Ų | 125 | 126.2 Ų | 126.2 | 77% | 0.767 | 71% | 0.712 | S | S | * | * | trans | -77.1 | 105.9 | 165.4 | 32.3 | 0 | 0 | 0 | 0 | 110.4 | I37 | I37-T39 PolarHBondContact O-N 2.86Š| ||
| 40 | S | 35.1 | Very low | 35.1 | Very low | 101 Ų | 101 | 128.9 Ų | 128.9 | 71% | 0.706 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 127.7 | 173.7 | -62.8 | 0 | 0 | 0 | 0 | 110.2 | I38 | I38-S40 PolarHBondContact O-N 3.12Š|
| 41 | P | 33.8 | Very low | 34.7 | Very low | 125 Ų | 125 | 131 Ų | 131 | 81% | 0.812 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 134.8 | -177.4 | 27.5 | -33.9 | 0 | 0 | 0 | 112 | N43 | P41-N43 PolarHBondContact O-N 2.94Š|
| 42 | S | 32.6 | Very low | 34.6 | Very low | 112 Ų | 112 | 126.6 Ų | 126.6 | 78% | 0.783 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 123.1 | 173.5 | -58.7 | 0 | 0 | 0 | 0 | 111.1 | E44 | S42-E44 PolarHBondContact O-N 3.4Š|
| 43 | N | 32.8 | Very low | 34.3 | Very low | 168 Ų | 168 | 123.6 Ų | 123.6 | 90% | 0.898 | 73% | 0.729 | S | S | * | * | trans | -83.3 | 79.4 | -179.8 | -166.7 | 36.9 | 0 | 0 | 0 | 110.8 | P41 | P41-N43 PolarHBondContact O-N 2.94Š| ||
| 44 | E | 35 | Very low | 33.8 | Very low | 186 Ų | 186 | 125 Ų | 125 | 87% | 0.869 | 75% | 0.749 | S | S | * | * | trans | -82.4 | 131.5 | 171.6 | -73.1 | -152.2 | 139.5 | 0 | 0 | 112.4 | S42 | S42-E44 PolarHBondContact O-N 3.4Š| ||
| 45 | G | 28.7 | Very low | 33.6 | Very low | 66 Ų | 66 | 123.6 Ų | 123.6 | 68% | 0.68 | 75% | 0.752 | S | S | * | * | trans | 108.4 | 97.6 | 156.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 46 | L | 30.3 | Very low | 33.1 | Very low | 173 Ų | 173 | 122.7 Ų | 122.7 | 91% | 0.906 | 77% | 0.765 | S | S | * | * | trans | -171.3 | 103.8 | 131.1 | -100.9 | 162.2 | 0 | 0 | 0 | 111.3 | ||||
| 47 | H | 30.1 | Very low | 33.1 | Very low | 178 Ų | 178 | 127.2 Ų | 127.2 | 82% | 0.824 | 78% | 0.78 | S | S | * | * | trans | -146.7 | 165.2 | 162.6 | -107.6 | -81.7 | 0 | 0 | 0 | 106 | ||||
| 48 | P | 44.8 | Very low | 32.7 | Very low | 120 Ų | 120 | 128.9 Ų | 128.9 | 78% | 0.779 | 79% | 0.789 | S | S | * | * | cis | -124.6 | 174.6 | 21.5 | 41.8 | -25.6 | 0 | 0 | 0 | 113.9 | ||||
| 49 | A | 27.1 | Very low | 32.5 | Very low | 82 Ų | 82 | 130.9 Ų | 130.9 | 68% | 0.678 | 80% | 0.8 | S | S | * | * | -170.4 | 140 | 89.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 50 | V | 31.9 | Very low | 32.3 | Very low | 141 Ų | 141 | 132 Ų | 132 | 86% | 0.855 | 80% | 0.8 | S | S | * | * | trans | 69.6 | 113.2 | 152.2 | -178.8 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 51 | A | 29.1 | Very low | 32 | Very low | 86 Ų | 86 | 136.9 Ų | 136.9 | 71% | 0.711 | 81% | 0.809 | S | S | * | * | trans | -88.3 | 166.7 | 157.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 52 | P | 37.4 | Very low | 31.8 | Very low | 115 Ų | 115 | 134.7 Ų | 134.7 | 75% | 0.747 | 80% | 0.802 | S | S | * | * | -145.8 | 147.7 | 96.8 | 38.1 | -23.1 | 0 | 0 | 0 | 116.6 | |||||
| 53 | T | 30.8 | Very low | 31.7 | Very low | 131 Ų | 131 | 135.6 Ų | 135.6 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | trans | 17.5 | 123.8 | 147.2 | 58.9 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 54 | S | 29.4 | Very low | 32.3 | Very low | 118 Ų | 118 | 132.2 Ų | 132.2 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | 179.6 | 134.8 | 110 | -177.2 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 55 | T | 30.3 | Very low | 32.2 | Very low | 143 Ų | 143 | 132.5 Ų | 132.5 | 88% | 0.877 | 79% | 0.791 | S | S | * | * | trans | -31.3 | 138.7 | 160.9 | -41.3 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 56 | G | 29.2 | Very low | 32.3 | Very low | 72 Ų | 72 | 132.7 Ų | 132.7 | 74% | 0.742 | 79% | 0.793 | S | S | * | * | trans | 167.3 | 106.8 | 164.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 57 | E | 33.5 | Very low | 32.9 | Very low | 189 Ų | 189 | 130 Ų | 130 | 88% | 0.883 | 79% | 0.785 | S | S | * | * | trans | -61.6 | 149.1 | 163.6 | -55.8 | 177.6 | 136.2 | 0 | 0 | 110.5 | ||||
| 58 | I | 32.7 | Very low | 32.9 | Very low | 154 Ų | 154 | 128 Ų | 128 | 79% | 0.79 | 79% | 0.787 | S | S | * | * | trans | -165 | 117.8 | 143 | -94.7 | 139.6 | 0 | 0 | 0 | 108.3 | L60 | I58-L60 HydrophobicContact CG2-CB 4.41Å; I58-L60 HydrophobicContact CG2-CD1 4.27Å | ||
| 59 | L | 33.3 | Very low | 32.2 | Very low | 163 Ų | 163 | 129 Ų | 129 | 85% | 0.853 | 79% | 0.785 | S | S | * | * | trans | -76.4 | 134 | 161.2 | -71.6 | 164.1 | 0 | 0 | 0 | 108.8 | ||||
| 60 | L | 31.3 | Very low | 32.5 | Very low | 149 Ų | 149 | 131.3 Ų | 131.3 | 78% | 0.78 | 79% | 0.79 | S | S | * | * | trans | -157.2 | 90.5 | 162.5 | -110 | 166.1 | 0 | 0 | 0 | 111.1 | I58 | I58-L60 HydrophobicContact CG2-CB 4.41Å; I58-L60 HydrophobicContact CG2-CD1 4.27Å | ||
| 61 | F | 28 | Very low | 32.3 | Very low | 203 Ų | 203 | 127.6 Ų | 127.6 | 89% | 0.89 | 78% | 0.781 | S | S | * | * | trans | -79.3 | 116.4 | 158.9 | -82.1 | -87 | 0 | 0 | 0 | 108.7 | ||||
| 62 | A | 30.5 | Very low | 32.4 | Very low | 80 Ų | 80 | 130 Ų | 130 | 66% | 0.661 | 79% | 0.786 | S | S | * | * | trans | -153.6 | 118.9 | 167 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 63 | T | 28.6 | Very low | 32.2 | Very low | 130 Ų | 130 | 132.5 Ų | 132.5 | 80% | 0.798 | 79% | 0.788 | S | S | * | * | trans | -165 | 158.3 | 177.9 | 11.8 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 64 | P | 46.7 | Very low | 32.2 | Very low | 98 Ų | 98 | 131.3 Ų | 131.3 | 64% | 0.636 | 78% | 0.777 | S | S | * | * | cis | -145.1 | -177.8 | -22.4 | 34.9 | -13.2 | 0 | 0 | 0 | 115.7 | ||||
| 65 | Q | 33.3 | Very low | 32.3 | Very low | 192 Ų | 192 | 132.8 Ų | 132.8 | 90% | 0.897 | 77% | 0.768 | S | S | * | * | trans | 69.8 | 153.1 | 159.1 | -39.1 | -161.6 | 6.7 | 0 | 0 | 117.9 | ||||
| 66 | G | 30.8 | Very low | 32.5 | Very low | 69 Ų | 69 | 136.2 Ų | 136.2 | 71% | 0.711 | 77% | 0.765 | S | S | * | * | cis | -155.4 | -163.1 | 12 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 67 | P | 41.7 | Very low | 32.8 | Very low | 116 Ų | 116 | 143.1 Ų | 143.1 | 75% | 0.753 | 77% | 0.769 | S | S | * | * | trans | -120.9 | -174.8 | -132 | 43.6 | -36.2 | 0 | 0 | 0 | 118.1 | ||||
| 68 | T | 31.1 | Very low | 33.1 | Very low | 138 Ų | 138 | 139.9 Ų | 139.9 | 85% | 0.847 | 76% | 0.764 | S | S | * | * | trans | 70.8 | 151.6 | 165.3 | 60.4 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 69 | D | 30.1 | Very low | 33.2 | Very low | 141 Ų | 141 | 139.4 Ų | 139.4 | 75% | 0.754 | 77% | 0.768 | S | S | * | * | cis | -164 | 162.9 | -24.3 | -174.9 | 33 | 0 | 0 | 0 | 109.3 | ||||
| 70 | V | 32.1 | Very low | 33.7 | Very low | 129 Ų | 129 | 140.1 Ų | 140.1 | 78% | 0.782 | 77% | 0.772 | S | S | * | * | trans | 25.5 | 129.2 | 165.6 | 172.3 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 71 | G | 28.9 | Very low | 33.8 | Very low | 64 Ų | 64 | 136.7 Ų | 136.7 | 66% | 0.66 | 77% | 0.773 | S | S | * | * | 131.5 | 104.6 | 127.4 | 0 | 0 | 0 | 0 | 0 | 122 | |||||
| 72 | V | 31.1 | Very low | 34.5 | Very low | 135 Ų | 135 | 138.2 Ų | 138.2 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | trans | 45.8 | 127.2 | 133.1 | -174.9 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 73 | Q | 32.2 | Very low | 35 | Very low | 169 Ų | 169 | 139.4 Ų | 139.4 | 79% | 0.79 | 77% | 0.774 | S | S | * | * | trans | 18.8 | 140.4 | 152.1 | -52.7 | -173.4 | 27.6 | 0 | 0 | 120.4 | ||||
| 74 | D | 31.2 | Very low | 35.8 | Very low | 105 Ų | 105 | 139 Ų | 139 | 56% | 0.561 | 77% | 0.774 | S | S | * | * | 174.6 | 162.9 | 61.7 | -159.6 | -7.3 | 0 | 0 | 0 | 112.9 | |||||
| 75 | K | 32.5 | Very low | 35.4 | Very low | 150 Ų | 150 | 140 Ų | 140 | 65% | 0.652 | 78% | 0.777 | S | S | * | * | trans | 54.6 | 126.7 | 155.4 | -83 | 146.9 | -160.4 | 152.6 | 0 | 124.2 | ||||
| 76 | R | 32.9 | Very low | 36 | Very low | 215 Ų | 215 | 140.5 Ų | 140.5 | 81% | 0.811 | 78% | 0.777 | S | S | * | * | trans | 69.3 | 138.4 | 139.7 | -71.7 | 172.8 | 173 | 168.6 | -1.7 | 116.7 | ||||
| 77 | R | 35.9 | Very low | 36.8 | Very low | 217 Ų | 217 | 148 Ų | 148 | 82% | 0.819 | 78% | 0.783 | S | S | * | * | cis | -158.6 | 172.9 | 21.9 | -115.8 | 166.1 | -175.6 | 176.1 | 1.2 | 109.8 | ||||
| 78 | P | 40.1 | Very low | 37.3 | Very low | 121 Ų | 121 | 150 Ų | 150 | 79% | 0.786 | 78% | 0.78 | S | S | * | * | trans | -90.1 | 155.5 | -171.4 | 36.3 | -34.8 | 0 | 0 | 0 | 114.7 | ||||
| 79 | V | 34.9 | Very low | 37.6 | Very low | 144 Ų | 144 | 151 Ų | 151 | 87% | 0.873 | 78% | 0.78 | S | S | * | * | trans | -130.9 | 141.4 | 169.7 | 173 | 0 | 0 | 0 | 0 | 110.8 | G81 | V79-G81 PolarHBondContact O-N 3.29Š| ||
| 80 | L | 43.4 | Very low | 38.4 | Very low | 177 Ų | 177 | 149.2 Ų | 149.2 | 93% | 0.927 | 77% | 0.77 | S | S | * | * | trans | -68.1 | 118.8 | -178.1 | -72.7 | 149.4 | 0 | 0 | 0 | 112.6 | ||||
| 81 | G | 33.8 | Very low | 39 | Very low | 78 Ų | 78 | 150.4 Ų | 150.4 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | trans | -97.2 | 110.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | V79 | V79-G81 PolarHBondContact O-N 3.29Š| ||
| 82 | R | 43 | Very low | 39.7 | Very low | 234 Ų | 234 | 154.6 Ų | 154.6 | 88% | 0.883 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 139.3 | 169.6 | 179 | -170.4 | -81.7 | -164.4 | -4.5 | 109.6 | ||
| 83 | P | 40.1 | Very low | 40.2 | Very low | 105 Ų | 105 | 153 Ų | 153 | 68% | 0.682 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 139.1 | 178.6 | 27.8 | -34.7 | 0 | 0 | 0 | 111.8 | ||
| 84 | P | 46.5 | Very low | 40.6 | Very low | 123 Ų | 123 | 152.4 Ų | 152.4 | 80% | 0.799 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 131.8 | 178.9 | 28.7 | -33.5 | 0 | 0 | 0 | 112 | K86 | P84-K86 PolarHBondContact O-N 2.72Š|
| 85 | V | 38.3 | Very low | 41.2 | Very low | 118 Ų | 118 | 157 Ų | 157 | 72% | 0.715 | 79% | 0.793 | S | S | * | * | trans | -74.9 | 103.6 | 176 | 175.8 | 0 | 0 | 0 | 0 | 109.6 | R87 | V85-R87 HydrophobicContact CG1-CG 4.42Å; V85-R87 PolarHBondContact O-N 3.04Å | ||
| 86 | K | 46.3 | Very low | 41.5 | Very low | 203 Ų | 203 | 158.4 Ų | 158.4 | 88% | 0.883 | 80% | 0.802 | S | S | * | * | trans | -73.7 | 101.7 | 167.7 | -74.9 | -170.8 | 174 | -175.3 | 0 | 110 | P84 | P84-K86 PolarHBondContact O-N 2.72Š| ||
| 87 | R | 47.2 | Very low | 41.7 | Very low | 225 Ų | 225 | 159.5 Ų | 159.5 | 85% | 0.849 | 81% | 0.808 | S | S | * | * | trans | -82 | 107.1 | 158.7 | -80 | -174.1 | 163.9 | 85.8 | 0.7 | 108.3 | V85 | V85-R87 HydrophobicContact CG1-CG 4.42Å; V85-R87 PolarHBondContact O-N 3.04Å | ||
| 88 | K | 51.3 | Low | 41.6 | Very low | 159 Ų | 159 | 154.9 Ų | 154.9 | 69% | 0.691 | 80% | 0.803 | S | S | * | * | trans | -77.9 | 117.1 | 163.5 | -168.2 | -169.3 | 177.7 | -142.5 | 0 | 106.9 | D90 | K88-D90 WeakPolarHBondContact CE-OD1 3.47Å; K88-D90 WeakPolarHBondContact CE-OD2 3.45Å; K88-D90 IonicContact NZ-OD1 2.77Å; K88-D90 PolarHBondContact NZ-OD1 3.41Å; K88-D90 IonicContact NZ-OD2 2.63Å; K88-D90 PolarHBondContact NZ-OD2 3.08Å | ||
| 89 | L | 37.7 | Very low | 41.2 | Very low | 159 Ų | 159 | 154.3 Ų | 154.3 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | trans | -77.9 | 114.2 | 159.7 | -89.7 | 152.3 | 0 | 0 | 0 | 106.3 | ||||
| 90 | D | 47.3 | Very low | 41.1 | Very low | 104 Ų | 104 | 154.2 Ų | 154.2 | 56% | 0.556 | 80% | 0.802 | S | S | * | * | trans | -95.5 | 136.2 | 153.8 | -87.7 | -50.2 | 0 | 0 | 0 | 107.3 | K88 | K88-D90 WeakPolarHBondContact CE-OD1 3.47Å; K88-D90 WeakPolarHBondContact CE-OD2 3.45Å; K88-D90 IonicContact NZ-OD1 2.77Å; K88-D90 PolarHBondContact NZ-OD1 3.41Å; K88-D90 IonicContact NZ-OD2 2.63Å; K88-D90 PolarHBondContact NZ-OD2 3.08Å | ||
| 91 | L | 45.5 | Very low | 40.8 | Very low | 153 Ų | 153 | 151.4 Ų | 151.4 | 80% | 0.801 | 79% | 0.793 | S | S | * | * | trans | -115.4 | 63.1 | -174.4 | -163.4 | 82.1 | 0 | 0 | 0 | 109.2 | S93 | L91-S93 PolarHBondContact O-N 3.48Š| ||
| 92 | D | 41.9 | Very low | 40.8 | Very low | 153 Ų | 153 | 158.5 Ų | 158.5 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | -75.8 | 92.6 | 175.5 | -75.3 | -42 | 0 | 0 | 0 | 110.3 | D94 | D92-D94 PolarHBondContact O-N 3.21Š| ||
| 93 | S | 42.5 | Very low | 40.9 | Very low | 101 Ų | 101 | 153.2 Ų | 153.2 | 71% | 0.706 | 79% | 0.791 | S | S | * | * | trans | -75.8 | 109.1 | 153.3 | -71 | 0 | 0 | 0 | 0 | 108.4 | L91 | L91-S93 PolarHBondContact O-N 3.48Š| ||
| 94 | D | 41.3 | Very low | 40.8 | Very low | 157 Ų | 157 | 152.6 Ų | 152.6 | 84% | 0.84 | 80% | 0.795 | S | S | * | * | trans | -169.3 | 129.3 | 133.1 | -100.6 | -30 | 0 | 0 | 0 | 112.8 | D92 | D92-D94 PolarHBondContact O-N 3.21Š| ||
| 95 | H | 43.3 | Very low | 40.3 | Very low | 202 Ų | 202 | 154.3 Ų | 154.3 | 94% | 0.935 | 80% | 0.803 | S | S | * | * | trans | -99.7 | 94.2 | 173.5 | -73.5 | -51.2 | 0 | 0 | 0 | 110 | ||||
| 96 | Q | 39.1 | Very low | 40.1 | Very low | 178 Ų | 178 | 152 Ų | 152 | 83% | 0.832 | 80% | 0.804 | S | S | * | * | trans | -130.1 | 114 | 167.9 | -150.3 | 167.2 | 67.2 | 0 | 0 | 112.7 | V98 | Q96-V98 PolarHBondContact O-N 3.38Š| ||
| 97 | Y | 36.1 | Very low | 39.7 | Very low | 239 Ų | 239 | 151.9 Ų | 151.9 | 94% | 0.937 | 81% | 0.806 | S | S | * | * | trans | -83 | 107.1 | 179.3 | -122 | -96.3 | 0 | 0 | 0 | 109.7 | ||||
| 98 | V | 33.6 | Very low | 39.3 | Very low | 119 Ų | 119 | 147.6 Ų | 147.6 | 72% | 0.721 | 81% | 0.805 | S | S | * | * | trans | -139.7 | 135.9 | 164.9 | -166 | 0 | 0 | 0 | 0 | 110.4 | Q96 T100 | Q96-V98 PolarHBondContact O-N 3.38Å; V98-T100 PolarHBondContact O-N 2.93Å | ||
| 99 | S | 32.6 | Very low | 39.4 | Very low | 110 Ų | 110 | 145.8 Ų | 145.8 | 77% | 0.769 | 81% | 0.81 | S | S | * | * | trans | -72.3 | 118.6 | -171 | -53 | 0 | 0 | 0 | 0 | 114 | ||||
| 100 | T | 31.4 | Very low | 40.3 | Very low | 141 Ų | 141 | 143.4 Ų | 143.4 | 87% | 0.865 | 80% | 0.804 | S | S | * | * | trans | -67.8 | 135.1 | 168.9 | -62.7 | 0 | 0 | 0 | 0 | 111.9 | V98 | V98-T100 PolarHBondContact O-N 2.93Š| ||
| 101 | T | 37.1 | Very low | 39.9 | Very low | 119 Ų | 119 | 143.5 Ų | 143.5 | 73% | 0.73 | 81% | 0.812 | S | S | * | * | trans | -134.3 | 137.3 | 173.2 | -33.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 102 | R | 34.9 | Very low | 40.1 | Very low | 227 Ų | 227 | 143.1 Ų | 143.1 | 86% | 0.857 | 82% | 0.816 | S | S | * | * | trans | 72.9 | 161.5 | 169.7 | -70.1 | -178.3 | 80.6 | 157.6 | 3.7 | 118.4 | ||||
| 103 | P | 44.7 | Very low | 40.7 | Very low | 122 Ų | 122 | 141.9 Ų | 141.9 | 79% | 0.792 | 82% | 0.817 | S | S | * | * | cis | -120.4 | -172.4 | -8.8 | 21 | 3.2 | 0 | 0 | 0 | 114.4 | ||||
| 104 | A | 38.7 | Very low | 40.8 | Very low | 93 Ų | 93 | 141.6 Ų | 141.6 | 77% | 0.769 | 82% | 0.82 | S | S | * | * | trans | -109.2 | 159 | -161.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 105 | T | 36.2 | Very low | 41.4 | Very low | 158 Ų | 158 | 140 Ų | 140 | 97% | 0.969 | 82% | 0.818 | S | S | * | * | trans | -157.5 | 138.5 | 151.1 | 1.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 106 | G | 33.9 | Very low | 41.9 | Very low | 71 Ų | 71 | 136.1 Ų | 136.1 | 73% | 0.732 | 81% | 0.812 | S | S | * | * | trans | 119.4 | 79.6 | 157.6 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 107 | Q | 38.4 | Very low | 42.5 | Very low | 199 Ų | 199 | 139.4 Ų | 139.4 | 93% | 0.93 | 82% | 0.816 | S | S | * | * | trans | 39.7 | 147.8 | 136.9 | -58.1 | -177.3 | 3.2 | 0 | 0 | 123.6 | ||||
| 108 | V | 38.4 | Very low | 43.4 | Very low | 136 Ų | 136 | 134 Ų | 134 | 82% | 0.824 | 81% | 0.808 | S | S | * | * | trans | -145.7 | 131.8 | -164.6 | 174.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 109 | P | 52.4 | Low | 44.2 | Very low | 121 Ų | 121 | 134.2 Ų | 134.2 | 79% | 0.786 | 81% | 0.812 | S | S | * | * | -143.6 | -150.8 | 115.8 | 40.1 | -19.9 | 0 | 0 | 0 | 113 | |||||
| 110 | P | 56.2 | Low | 44.7 | Very low | 109 Ų | 109 | 139.8 Ų | 139.8 | 71% | 0.708 | 82% | 0.816 | S | S | * | * | -137.9 | 179.6 | -102.1 | 44 | -25 | 0 | 0 | 0 | 119.1 | |||||
| 111 | S | 38.7 | Very low | 45.8 | Very low | 106 Ų | 106 | 138.9 Ų | 138.9 | 74% | 0.741 | 82% | 0.816 | S | S | * | * | trans | 90.8 | 103.8 | 147.3 | -60.3 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 112 | T | 50.8 | Low | 46.3 | Very low | 144 Ų | 144 | 137.3 Ų | 137.3 | 88% | 0.883 | 81% | 0.809 | S | S | * | * | -169.8 | 145.7 | 115.5 | 15.7 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 113 | P | 55 | Low | 47.2 | Very low | 128 Ų | 128 | 133.1 Ų | 133.1 | 83% | 0.831 | 81% | 0.809 | S | S | * | * | trans | -93.6 | 147.5 | -179.8 | 35.8 | -32.7 | 0 | 0 | 0 | 112.9 | ||||
| 114 | A | 42.9 | Very low | 47.5 | Very low | 94 Ų | 94 | 135.5 Ų | 135.5 | 78% | 0.777 | 81% | 0.81 | S | S | * | * | trans | -127.8 | 147.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 115 | P | 55.5 | Low | 48.5 | Very low | 123 Ų | 123 | 139 Ų | 139 | 80% | 0.799 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 171.2 | -167.8 | 32.8 | -37.2 | 0 | 0 | 0 | 114 | ||
| 116 | P | 53.6 | Low | 50.2 | Low | 122 Ų | 122 | 134.5 Ų | 134.5 | 79% | 0.792 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 150.8 | -155.6 | 28.5 | -35.8 | 0 | 0 | 0 | 115.2 | V118 | P116-V118 PolarHBondContact O-N 2.83Š|
| 117 | R | 50.8 | Low | 52 | Low | 246 Ų | 246 | 142 Ų | 142 | 93% | 0.928 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 124.4 | 175.5 | -74.3 | -177.7 | 173.1 | -165.6 | -2.2 | 111.7 | ||
| 118 | V | 55.2 | Low | 53.7 | Low | 125 Ų | 125 | 139 Ų | 139 | 76% | 0.758 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 129.1 | 156.1 | -145.1 | 0 | 0 | 0 | 0 | 108.1 | P116 R120 | P116-V118 PolarHBondContact O-N 2.83Å; V118-R120 PolarHBondContact O-N 3.15Å; V118-R120 VanDerWaalsContact O-N 3.13Å |
| 119 | P | 50.1 | Low | 55.3 | Low | 124 Ų | 124 | 136.4 Ų | 136.4 | 81% | 0.805 | 75% | 0.751 | S | S | * | * | trans | -70 | 109.2 | 174.3 | -13.1 | 27.9 | 0 | 0 | 0 | 109.5 | ||||
| 120 | R | 43.5 | Very low | 56.5 | Low | 227 Ų | 227 | 135.5 Ų | 135.5 | 86% | 0.857 | 74% | 0.744 | S | S | * | * | trans | -84.5 | 113.2 | 166.2 | -69.4 | -169.5 | -177.2 | -172.9 | 2.1 | 108.4 | V118 S122 | V118-R120 PolarHBondContact O-N 3.15Å; V118-R120 VanDerWaalsContact O-N 3.13Å; R120-S122 PolarHBondContact O-N 3.22Å | ||
| 121 | S | 54.2 | Low | 58.1 | Low | 123 Ų | 123 | 131.7 Ų | 131.7 | 86% | 0.86 | 72% | 0.72 | S | S | * | * | trans | -72.3 | 78.3 | 167.6 | 54.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 122 | S | 47.6 | Very low | 60.6 | Low | 86 Ų | 86 | 130.4 Ų | 130.4 | 60% | 0.601 | 70% | 0.704 | S | S | * | * | trans | -82.4 | 112.7 | 163.8 | 49.5 | 0 | 0 | 0 | 0 | 108.9 | R120 E124 | R120-S122 PolarHBondContact O-N 3.22Å; S122-E124 PolarHBondContact O-N 2.82Å | ||
| 123 | T | 54.3 | Low | 62.5 | Low | 138 Ų | 138 | 127.9 Ų | 127.9 | 85% | 0.847 | 69% | 0.685 | S | S | * | * | trans | -64.2 | 85.7 | 159.2 | 40.5 | 0 | 0 | 0 | 0 | 108.4 | K125 | T123-K125 PolarHBondContact O-N 2.82Š| ||
| 124 | E | 51.9 | Low | 64.3 | Low | 173 Ų | 173 | 123.1 Ų | 123.1 | 81% | 0.808 | 65% | 0.653 | S | S | * | * | trans | -64 | 100.5 | 170.2 | -73.5 | -170 | 136.3 | 0 | 0 | 108.3 | S122 S126 | S122-E124 PolarHBondContact O-N 2.82Å; E124-S126 PolarHBondContact O-N 2.87Å | ||
| 125 | K | 58.5 | Low | 66.6 | Low | 166 Ų | 166 | 119 Ų | 119 | 72% | 0.722 | 62% | 0.618 | S | S | * | * | trans | -50.9 | 124.5 | 162.7 | -62.7 | 178 | 179.5 | -177.2 | 0 | 106.5 | T123 | T123-K125 PolarHBondContact O-N 2.82Š| ||
| 126 | S | 72.1 | Confident | 68.4 | Low | 64 Ų | 64 | 114.9 Ų | 114.9 | 45% | 0.448 | 59% | 0.59 | S | S | . | * | trans | -60.5 | 146.9 | -171.5 | 179.3 | 0 | 0 | 0 | 0 | 109.6 | E124 Y128 D129 | E124-S126 PolarHBondContact O-N 2.87Å; S126-Y128 PolarHBondContact O-N 2.66Å; S126-Y128 PolarHBondContact OG-N 2.93Å; S126-D129 WeakPolarHBondContact CB-OD2 3.36Å; S126-D129 PolarHBondContact N-OD2 2.9Å; S126-D129 WeakPolarHBondContact O-CB 3.32Å; S126-D129 PolarHBondContact O-N 3.44Å | ||
| 127 | R | 71.7 | Confident | 70.2 | Confident | 228 Ų | 228 | 114.7 Ų | 114.7 | 86% | 0.86 | 58% | 0.577 | S | S | * | * | G | 310 helix | trans | -52.2 | -28.2 | 172 | -177.9 | -171 | -92.1 | -172.3 | -5.5 | 111.2 | T130 S131 | R127-T130 PolarHBondContact O-OG1 3.17Å; R127-S131 PolarHBondContact O-N 3.15Å |
| 128 | Y | 74.6 | Confident | 72.2 | Confident | 136 Ų | 136 | 109.3 Ų | 109.3 | 53% | 0.533 | 56% | 0.557 | S | S | . | * | G | 310 helix | trans | -62.9 | -37.7 | 175 | -170.7 | -97.2 | 0 | 0 | 0 | 113.6 | S126 T130 S131 | S126-Y128 PolarHBondContact O-N 2.66Å; S126-Y128 PolarHBondContact OG-N 2.93Å; Y128-T130 PolarHBondContact O-N 2.9Å; Y128-S131 WeakPolarHBondContact O-CB 3.42Å; Y128-S131 PolarHBondContact O-N 2.95Å; Y128-S131 PolarHBondContact O-OG 3.39Å |
| 129 | D | 71.1 | Confident | 73.9 | Confident | 81 Ų | 81 | 103.4 Ų | 103.4 | 43% | 0.433 | 52% | 0.521 | S | S | . | . | G | 310 helix | trans | -68.5 | -18 | -175.9 | -56.5 | -35.5 | 0 | 0 | 0 | 112.9 | S126 | S126-D129 WeakPolarHBondContact CB-OD2 3.36Å; S126-D129 PolarHBondContact N-OD2 2.9Å; S126-D129 WeakPolarHBondContact O-CB 3.32Å; S126-D129 PolarHBondContact O-N 3.44Å |
| 130 | T | 78.9 | Confident | 75.8 | Confident | 102 Ų | 102 | 100.2 Ų | 100.2 | 63% | 0.626 | 50% | 0.497 | S | S | * | . | G | 310 helix | trans | -111 | 10.4 | 175.9 | 54.8 | 0 | 0 | 0 | 0 | 112.7 | R127 Y128 | R127-T130 PolarHBondContact O-OG1 3.17Å; Y128-T130 PolarHBondContact O-N 2.9Å |
| 131 | S | 89.1 | Confident | 77.9 | Confident | 30 Ų | 30 | 93.3 Ų | 93.3 | 21% | 0.21 | 48% | 0.477 | C | S | . | . | trans | -68.5 | 144.5 | -177.6 | 69 | 0 | 0 | 0 | 0 | 112.4 | R127 Y128 N133 L134 T135 | R127-S131 PolarHBondContact O-N 3.15Å; Y128-S131 WeakPolarHBondContact O-CB 3.42Å; Y128-S131 PolarHBondContact O-N 2.95Å; Y128-S131 PolarHBondContact O-OG 3.39Å; S131-N133 PolarHBondContact O-N 2.89Å; S131-L134 PolarHBondContact O-N 2.86Å; S131-L134 WeakPolarHBondContact OG-CB 3.06Å; S131-L134 PolarHBondContact OG-N 2.9Å; S131-T135 PolarHBondContact O-N 3.01Å; S131-T135 VanDerWaalsContact O-N 3.1Å; S131-T135 PolarHBondContact O-OG1 3.46Å; S131-T135 VanDerWaalsContact O-OG1 3.09Å | ||
| 132 | L | 91 | Very high | 79.5 | Confident | 78 Ų | 78 | 88.3 Ų | 88.3 | 41% | 0.408 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -59 | -38 | 177.3 | -169.6 | 66.7 | 0 | 0 | 0 | 111.4 | L134 T135 T136 R166 D169 I170 | L132-L134 PolarHBondContact O-N 3.42Å; L132-T135 PolarHBondContact O-N 3.3Å; L132-T136 WeakPolarHBondContact O-CB 3.35Å; L132-T136 PolarHBondContact O-N 3.21Å; L132-T136 PolarHBondContact O-OG1 3.13Å; L132-R166 HydrophobicContact CD1-CB 4.49Å; L132-D169 HydrophobicContact CD1-CB 4.1Å; L132-D169 HydrophobicContact CD2-CB 4.18Å; L132-I170 HydrophobicContact CD1-CD1 4.13Å; L132-I170 HydrophobicContact CD1-CG1 3.78Å; L132-I170 HydrophobicContact CG-CG1 4.45Å |
| 133 | N | 91.9 | Very high | 81.4 | Confident | 91 Ų | 91 | 84.2 Ų | 84.2 | 49% | 0.487 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -60.3 | -44.4 | 178.3 | -172.6 | -87.9 | 0 | 0 | 0 | 112.6 | S131 T136 K137 | S131-N133 PolarHBondContact O-N 2.89Å; N133-T136 PolarHBondContact O-N 3.42Å; N133-K137 WeakPolarHBondContact O-CG 3.29Å; N133-K137 PolarHBondContact O-N 3.38Å; N133-K137 WeakPolarHBondContact OD1-CE 3.39Å; N133-K137 PolarHBondContact OD1-NZ 2.82Å |
| 134 | L | 91.1 | Very high | 82.7 | Confident | 28 Ų | 28 | 81.5 Ų | 81.5 | 15% | 0.147 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -66 | -41.7 | 176.8 | -177 | 61.9 | 0 | 0 | 0 | 111.1 | S131 L132 K137 R138 | S131-L134 PolarHBondContact O-N 2.86Å; S131-L134 WeakPolarHBondContact OG-CB 3.06Å; S131-L134 PolarHBondContact OG-N 2.9Å; L132-L134 PolarHBondContact O-N 3.42Å; L134-K137 PolarHBondContact O-N 3.42Å; L134-R138 WeakPolarHBondContact O-CG 3.47Å; L134-R138 PolarHBondContact O-N 2.8Å |
| 135 | T | 92.8 | Very high | 84.2 | Confident | 9 Ų | 9 | 80 Ų | 80 | 6% | 0.055 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -61 | -43.9 | 174.1 | -51.5 | 0 | 0 | 0 | 0 | 111.5 | S131 L132 R138 F139 L160 V162 I170 | S131-T135 PolarHBondContact O-N 3.01Å; S131-T135 VanDerWaalsContact O-N 3.1Å; S131-T135 PolarHBondContact O-OG1 3.46Å; S131-T135 VanDerWaalsContact O-OG1 3.09Å; L132-T135 PolarHBondContact O-N 3.3Å; T135-R138 PolarHBondContact O-N 3.36Å; T135-F139 VanDerWaalsContact O-CB 3.24Å; T135-F139 WeakPolarHBondContact O-CB 3.28Å; T135-F139 PolarHBondContact O-N 2.77Å; T135-L160 HydrophobicContact CG2-CD1 4.09Å; T135-V162 HydrophobicContact CG2-CB 4.45Å; T135-V162 HydrophobicContact CG2-CG1 3.89Å; T135-V162 HydrophobicContact CG2-CG2 3.91Å; T135-I170 HydrophobicContact CG2-CD1 3.66Å |
| 136 | T | 93.3 | Very high | 85.3 | Confident | 35 Ų | 35 | 73.4 Ų | 73.4 | 22% | 0.215 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -60.8 | -46.1 | 175.5 | -57.1 | 0 | 0 | 0 | 0 | 111.5 | L132 N133 R138 F139 L140 I170 | L132-T136 WeakPolarHBondContact O-CB 3.35Å; L132-T136 PolarHBondContact O-N 3.21Å; L132-T136 PolarHBondContact O-OG1 3.13Å; N133-T136 PolarHBondContact O-N 3.42Å; T136-R138 VanDerWaalsContact C-N 3.34Å; T136-R138 PolarHBondContact O-N 3.15Å; T136-F139 PolarHBondContact O-N 3.31Å; T136-L140 HydrophobicContact CG2-CD1 3.91Å; T136-L140 HydrophobicContact CG2-CG 4.19Å; T136-L140 WeakPolarHBondContact O-CB 3.43Å; T136-L140 VanDerWaalsContact O-CG 3.31Å; T136-L140 WeakPolarHBondContact O-CG 3.38Å; T136-L140 PolarHBondContact O-N 3.24Å; T136-I170 HydrophobicContact CG2-CG2 4.16Å |
| 137 | K | 91.3 | Very high | 85 | Confident | 119 Ų | 119 | 75.5 Ų | 75.5 | 52% | 0.517 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -58.8 | -44.8 | 177.3 | -75.9 | 173.7 | 175.8 | 171.7 | 0 | 112.1 | N133 L134 N141 | N133-K137 WeakPolarHBondContact O-CG 3.29Å; N133-K137 PolarHBondContact O-N 3.38Å; N133-K137 WeakPolarHBondContact OD1-CE 3.39Å; N133-K137 PolarHBondContact OD1-NZ 2.82Å; L134-K137 PolarHBondContact O-N 3.42Å; K137-N141 WeakPolarHBondContact O-CB 3.45Å; K137-N141 PolarHBondContact O-N 3.18Å; K137-N141 VanDerWaalsContact O-N 3.08Å |
| 138 | R | 91.5 | Very high | 85.1 | Confident | 132 Ų | 132 | 71.2 Ų | 71.2 | 50% | 0.498 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -68.2 | -39.3 | 176 | -65.9 | 178.8 | -180 | 177.3 | 1.7 | 112 | L134 T135 T136 N141 L142 L160 | L134-R138 WeakPolarHBondContact O-CG 3.47Å; L134-R138 PolarHBondContact O-N 2.8Å; T135-R138 PolarHBondContact O-N 3.36Å; T136-R138 VanDerWaalsContact C-N 3.34Å; T136-R138 PolarHBondContact O-N 3.15Å; R138-N141 WeakPolarHBondContact O-CB 3.32Å; R138-N141 PolarHBondContact O-N 2.92Å; R138-L142 WeakPolarHBondContact O-CG 3.05Å; R138-L142 PolarHBondContact O-N 3.01Å; R138-L160 HydrophobicContact CB-CD2 3.31Å; R138-L160 HydrophobicContact CG-CD2 4.4Å |
| 139 | F | 91.5 | Very high | 85.4 | Confident | 1 Ų | 1 | 65.3 Ų | 65.3 | 0% | 0.004 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -64.8 | -43.6 | 177.1 | -174.4 | -102.8 | 0 | 0 | 0 | 112.8 | T135 T136 N141 L142 L143 L153 A156 L160 I167 I170 T171 L174 I188 | T135-F139 VanDerWaalsContact O-CB 3.24Å; T135-F139 WeakPolarHBondContact O-CB 3.28Å; T135-F139 PolarHBondContact O-N 2.77Å; T136-F139 PolarHBondContact O-N 3.31Å; F139-N141 VanDerWaalsContact C-N 3.28Å; F139-N141 PolarHBondContact O-N 3.27Å; F139-L142 PolarHBondContact O-N 3.15Å; F139-L143 HydrophobicContact CD1-CD1 3.63Å; F139-L143 HydrophobicContact CE1-CD1 3.52Å; F139-L143 HydrophobicContact CE1-CG 4.44Å; F139-L143 HydrophobicContact CZ-CD1 4.32Å; F139-L143 PolarHBondContact O-N 2.86Å; F139-L153 HydrophobicContact CZ-CD2 4.41Å; F139-A156 HydrophobicContact CD2-CB 4.05Å; F139-A156 HydrophobicContact CE2-CB 3.82Å; F139-L160 HydrophobicContact CB-CD1 3.78Å; F139-L160 HydrophobicContact CD2-CD1 3.79Å; F139-L160 HydrophobicContact CG-CD1 4.29Å; F139-I167 HydrophobicContact CD2-CD1 4.2Å; F139-I167 HydrophobicContact CE2-CD1 4.29Å; F139-I167 HydrophobicContact CE2-CG2 3.86Å; F139-I167 HydrophobicContact CZ-CG2 4.19Å; F139-I170 HydrophobicContact CB-CD1 4.33Å; F139-I170 HydrophobicContact CD1-CB 4.43Å; F139-I170 HydrophobicContact CD1-CG2 3.48Å; F139-I170 VanDerWaalsContact CD1-CG2 3.48Å; F139-I170 HydrophobicContact CE1-CG2 3.8Å; F139-I170 HydrophobicContact CG-CG2 4.22Å; F139-T171 HydrophobicContact CE1-CG2 4.22Å; F139-T171 HydrophobicContact CZ-CG2 3.83Å; F139-L174 HydrophobicContact CD1-CD1 4.31Å; F139-L174 HydrophobicContact CE1-CD1 4.16Å; F139-I188 HydrophobicContact CE1-CD1 4.01Å; F139-I188 HydrophobicContact CZ-CD1 3.54Å |
| 140 | L | 89.3 | Confident | 86.2 | Confident | 58 Ų | 58 | 63.2 Ų | 63.2 | 30% | 0.304 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61.8 | -37.7 | 172.2 | -71.5 | 173.2 | 0 | 0 | 0 | 111.4 | T136 L143 S144 L174 W190 | T136-L140 HydrophobicContact CG2-CD1 3.91Å; T136-L140 HydrophobicContact CG2-CG 4.19Å; T136-L140 WeakPolarHBondContact O-CB 3.43Å; T136-L140 VanDerWaalsContact O-CG 3.31Å; T136-L140 WeakPolarHBondContact O-CG 3.38Å; T136-L140 PolarHBondContact O-N 3.24Å; L140-L143 HydrophobicContact CD2-CD1 4.36Å; L140-L143 PolarHBondContact O-N 3.18Å; L140-S144 PolarHBondContact O-N 2.71Å; L140-S144 PolarHBondContact O-OG 3.24Å; L140-L174 HydrophobicContact CD2-CD1 3.96Å; L140-L174 HydrophobicContact CD2-CD2 4.28Å; L140-W190 HydrophobicContact CD2-CH2 3.77Å; L140-W190 HydrophobicContact CD2-CZ3 3.75Å |
| 141 | N | 87.9 | Confident | 86.7 | Confident | 81 Ų | 81 | 58.5 Ų | 58.5 | 43% | 0.433 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -63.1 | -44.3 | 174.7 | -168.3 | -92.8 | 0 | 0 | 0 | 111.5 | K137 R138 F139 L143 S144 Q145 | K137-N141 WeakPolarHBondContact O-CB 3.45Å; K137-N141 PolarHBondContact O-N 3.18Å; K137-N141 VanDerWaalsContact O-N 3.08Å; R138-N141 WeakPolarHBondContact O-CB 3.32Å; R138-N141 PolarHBondContact O-N 2.92Å; F139-N141 VanDerWaalsContact C-N 3.28Å; F139-N141 PolarHBondContact O-N 3.27Å; N141-L143 VanDerWaalsContact C-N 3.35Å; N141-L143 PolarHBondContact O-N 3.47Å; N141-S144 WeakPolarHBondContact CA-OG 3.27Å; N141-S144 PolarHBondContact O-N 2.88Å; N141-S144 PolarHBondContact O-OG 3.17Å; N141-Q145 WeakPolarHBondContact O-CG 3.34Å; N141-Q145 PolarHBondContact O-N 3.44Å; N141-Q145 PolarHBondContact OD1-NE2 3.41Å |
| 142 | L | 89 | Confident | 86.9 | Confident | 18 Ų | 18 | 59.7 Ų | 59.7 | 9% | 0.094 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.1 | -40.4 | 172.8 | -63.3 | 178.9 | 0 | 0 | 0 | 112.8 | R138 F139 Q145 S146 W155 A156 V159 L160 | R138-L142 WeakPolarHBondContact O-CG 3.05Å; R138-L142 PolarHBondContact O-N 3.01Å; F139-L142 PolarHBondContact O-N 3.15Å; L142-Q145 PolarHBondContact O-N 3.46Å; L142-S146 PolarHBondContact O-N 3.08Å; L142-W155 HydrophobicContact CB-CZ3 4.21Å; L142-W155 HydrophobicContact CD1-CZ3 4.08Å; L142-W155 HydrophobicContact CD2-CH2 3.83Å; L142-W155 HydrophobicContact CD2-CZ3 4.01Å; L142-W155 HydrophobicContact CG-CZ3 4.31Å; L142-A156 HydrophobicContact CD1-CB 4.45Å; L142-V159 HydrophobicContact CD1-CB 4.19Å; L142-V159 HydrophobicContact CD1-CG1 3.92Å; L142-V159 HydrophobicContact CD2-CG1 3.89Å; L142-L160 HydrophobicContact CD1-CD1 4.28Å; L142-L160 HydrophobicContact CD1-CD2 3.9Å; L142-L160 HydrophobicContact CD1-CG 3.92Å |
| 143 | L | 87.1 | Confident | 86.9 | Confident | 1 Ų | 1 | 56.9 Ų | 56.9 | 1% | 0.005 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.4 | -46 | 174.2 | -75.5 | 158.9 | 0 | 0 | 0 | 111.5 | F139 L140 N141 Q145 S146 V151 L174 I188 W190 | F139-L143 HydrophobicContact CD1-CD1 3.63Å; F139-L143 HydrophobicContact CE1-CD1 3.52Å; F139-L143 HydrophobicContact CE1-CG 4.44Å; F139-L143 HydrophobicContact CZ-CD1 4.32Å; F139-L143 PolarHBondContact O-N 2.86Å; L140-L143 HydrophobicContact CD2-CD1 4.36Å; L140-L143 PolarHBondContact O-N 3.18Å; N141-L143 VanDerWaalsContact C-N 3.35Å; N141-L143 PolarHBondContact O-N 3.47Å; L143-Q145 VanDerWaalsContact C-N 3.32Å; L143-Q145 PolarHBondContact O-N 3.4Å; L143-S146 PolarHBondContact O-N 2.88Å; L143-S146 PolarHBondContact O-OG 2.75Å; L143-V151 HydrophobicContact CD2-CB 3.99Å; L143-V151 HydrophobicContact CD2-CG2 3.61Å; L143-V151 HydrophobicContact CG-CG2 4.1Å; L143-L174 HydrophobicContact CD1-CD1 4.43Å; L143-I188 HydrophobicContact CD2-CD1 3.92Å; L143-I188 HydrophobicContact CD2-CG1 4.44Å; L143-W190 HydrophobicContact CB-CD2 4.23Å; L143-W190 HydrophobicContact CB-CE3 4.17Å; L143-W190 HydrophobicContact CB-CG 4.38Å; L143-W190 HydrophobicContact CD1-CE3 3.85Å; L143-W190 HydrophobicContact CD1-CZ3 4.2Å; L143-W190 HydrophobicContact CD2-CB 4.01Å; L143-W190 HydrophobicContact CD2-CE3 4.38Å; L143-W190 HydrophobicContact CG-CE3 4.37Å |
| 144 | S | 81.8 | Confident | 86.9 | Confident | 81 Ų | 81 | 54.4 Ų | 54.4 | 57% | 0.566 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -67.5 | -26.2 | 179.2 | 65.2 | 0 | 0 | 0 | 0 | 114.7 | L140 N141 | L140-S144 PolarHBondContact O-N 2.71Å; L140-S144 PolarHBondContact O-OG 3.24Å; N141-S144 WeakPolarHBondContact CA-OG 3.27Å; N141-S144 PolarHBondContact O-N 2.88Å; N141-S144 PolarHBondContact O-OG 3.17Å |
| 145 | Q | 81.9 | Confident | 86.9 | Confident | 141 Ų | 141 | 59.1 Ų | 59.1 | 66% | 0.659 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -85 | -15.1 | 175.9 | -70.4 | -173.1 | 26.5 | 0 | 0 | 113.3 | N141 L142 L143 A147 | N141-Q145 WeakPolarHBondContact O-CG 3.34Å; N141-Q145 PolarHBondContact O-N 3.44Å; N141-Q145 PolarHBondContact OD1-NE2 3.41Å; L142-Q145 PolarHBondContact O-N 3.46Å; L143-Q145 VanDerWaalsContact C-N 3.32Å; L143-Q145 PolarHBondContact O-N 3.4Å; Q145-A147 PolarHBondContact O-N 3.5Å |
| 146 | S | 82.9 | Confident | 86.9 | Confident | 28 Ų | 28 | 58.7 Ų | 58.7 | 20% | 0.196 | 31% | 0.313 | C | S | . | . | trans | -76.2 | 113.3 | -179.2 | 68 | 0 | 0 | 0 | 0 | 111 | L142 L143 D148 G149 | L142-S146 PolarHBondContact O-N 3.08Å; L143-S146 PolarHBondContact O-N 2.88Å; L143-S146 PolarHBondContact O-OG 2.75Å; S146-D148 VanDerWaalsContact C-N 3.35Å; S146-D148 PolarHBondContact O-N 3.28Å; S146-G149 WeakPolarHBondContact O-CA 3.45Å; S146-G149 PolarHBondContact O-N 3.5Å; S146-G149 WeakPolarHBondContact OG-CA 3.38Å | ||
| 147 | A | 66.1 | Low | 86.9 | Confident | 107 Ų | 107 | 58 Ų | 58 | 88% | 0.884 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -39.9 | -174 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q145 G149 | Q145-A147 PolarHBondContact O-N 3.5Å; A147-G149 PolarHBondContact O-N 3.01Å |
| 148 | D | 74 | Confident | 87 | Confident | 139 Ų | 139 | 59.4 Ų | 59.4 | 74% | 0.743 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -1.8 | 176.1 | -67.6 | -7.5 | 0 | 0 | 0 | 113.1 | S146 V150 | S146-D148 VanDerWaalsContact C-N 3.35Å; S146-D148 PolarHBondContact O-N 3.28Å; D148-V150 HydrophobicContact CB-CB 4.45Å; D148-V150 HydrophobicContact CB-CG2 4.42Å; D148-V150 PolarHBondContact O-N 3.44Å |
| 149 | G | 79.8 | Confident | 87 | Confident | 12 Ų | 12 | 56.6 Ų | 56.6 | 12% | 0.124 | 32% | 0.315 | C | S | . | . | S | Bend | trans | 62.4 | 17.7 | -168.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | S146 A147 Q189 W190 | S146-G149 WeakPolarHBondContact O-CA 3.45Å; S146-G149 PolarHBondContact O-N 3.5Å; S146-G149 WeakPolarHBondContact OG-CA 3.38Å; A147-G149 PolarHBondContact O-N 3.01Å; G149-Q189 CarbonylContact O-C 3.53Å; G149-Q189 VanDerWaalsContact O-CA 3.3Å; G149-Q189 WeakPolarHBondContact O-CA 3.2Å; G149-W190 WeakPolarHBondContact O-CB 3.43Å; G149-W190 PolarHBondContact O-N 2.92Å |
| 150 | V | 87.4 | Confident | 86.9 | Confident | 37 Ų | 37 | 57.2 Ų | 57.2 | 22% | 0.224 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 130.4 | -177.1 | 178.2 | 0 | 0 | 0 | 0 | 110.7 | D148 K183 N187 I188 Q189 | D148-V150 HydrophobicContact CB-CB 4.45Å; D148-V150 HydrophobicContact CB-CG2 4.42Å; D148-V150 PolarHBondContact O-N 3.44Å; V150-K183 HydrophobicContact CG1-CD 4.3Å; V150-K183 HydrophobicContact CG2-CD 3.72Å; V150-N187 HydrophobicContact CG1-CB 3.89Å; V150-I188 WeakPolarHBondContact CA-O 3.29Å; V150-Q189 HydrophobicContact CG2-CB 4.24Å; V150-Q189 HydrophobicContact CG2-CG 4.1Å |
| 151 | V | 91.2 | Very high | 87 | Confident | 3 Ų | 3 | 61.1 Ų | 61.1 | 2% | 0.018 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 129.6 | -178.6 | 174.1 | 0 | 0 | 0 | 0 | 111 | L143 W155 A156 N187 I188 | L143-V151 HydrophobicContact CD2-CB 3.99Å; L143-V151 HydrophobicContact CD2-CG2 3.61Å; L143-V151 HydrophobicContact CG-CG2 4.1Å; V151-W155 HydrophobicContact CG1-CE3 4.41Å; V151-A156 HydrophobicContact CG1-CB 4.01Å; V151-N187 WeakPolarHBondContact O-CA 3.5Å; V151-I188 HydrophobicContact CB-CG1 4.28Å; V151-I188 PolarHBondContact N-O 2.73Å; V151-I188 WeakPolarHBondContact O-CG1 3.45Å; V151-I188 PolarHBondContact O-N 3.27Å |
| 152 | D | 91.9 | Very high | 87.1 | Confident | 55 Ų | 55 | 58.5 Ų | 58.5 | 29% | 0.294 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 124 | 170 | -176.6 | -8.2 | 0 | 0 | 0 | 110.3 | N154 W155 A156 N186 N187 | D152-N154 PolarHBondContact O-N 3.46Å; D152-N154 WeakPolarHBondContact OD1-CB 3.41Å; D152-N154 PolarHBondContact OD1-N 3.42Å; D152-N154 PolarHBondContact OD1-ND2 3.14Å; D152-N154 PolarHBondContact OD2-ND2 3.22Å; D152-W155 HydrophobicContact CB-CB 4.12Å; D152-W155 PolarHBondContact O-N 3.24Å; D152-A156 PolarHBondContact O-N 3.22Å; D152-N186 WeakPolarHBondContact CA-O 3.29Å; D152-N187 WeakPolarHBondContact CA-OD1 3.44Å; D152-N187 WeakPolarHBondContact CB-OD1 3.38Å |
| 153 | L | 92.1 | Very high | 87.2 | Confident | 18 Ų | 18 | 64.9 Ų | 64.9 | 9% | 0.094 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -62.8 | -26.5 | 177.6 | -56.5 | 180 | 0 | 0 | 0 | 112.9 | F139 S157 I167 Y168 T171 N186 I188 | F139-L153 HydrophobicContact CZ-CD2 4.41Å; L153-S157 VanDerWaalsContact O-CB 3.27Å; L153-S157 WeakPolarHBondContact O-CB 3.47Å; L153-S157 PolarHBondContact O-N 3.19Å; L153-S157 VanDerWaalsContact O-N 3.1Å; L153-I167 HydrophobicContact CB-CG2 4.37Å; L153-I167 HydrophobicContact CD2-CG2 3.68Å; L153-Y168 HydrophobicContact CD1-CE1 4.18Å; L153-T171 HydrophobicContact CD2-CG2 3.96Å; L153-N186 WeakPolarHBondContact CG-O 3.36Å; L153-N186 PolarHBondContact N-O 3.08Å; L153-I188 HydrophobicContact CD1-CG2 4.38Å; L153-I188 HydrophobicContact CD2-CD1 4.03Å; L153-I188 HydrophobicContact CD2-CG1 3.91Å; L153-I188 HydrophobicContact CD2-CG2 3.93Å; L153-I188 HydrophobicContact CG-CG2 4.4Å |
| 154 | N | 91.4 | Very high | 87.3 | Confident | 39 Ų | 39 | 69 Ų | 69 | 21% | 0.209 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -68.8 | -46.1 | 173.3 | -59.3 | -70.8 | 0 | 0 | 0 | 111.3 | D152 S157 Q158 K164 N186 | D152-N154 PolarHBondContact O-N 3.46Å; D152-N154 WeakPolarHBondContact OD1-CB 3.41Å; D152-N154 PolarHBondContact OD1-N 3.42Å; D152-N154 PolarHBondContact OD1-ND2 3.14Å; D152-N154 PolarHBondContact OD2-ND2 3.22Å; N154-S157 PolarHBondContact O-N 3.5Å; N154-Q158 WeakPolarHBondContact O-CG 3.29Å; N154-Q158 PolarHBondContact O-N 3.3Å; N154-Q158 PolarHBondContact O-NE2 2.93Å; N154-K164 VanDerWaalsContact OD1-CE 3.31Å; N154-K164 WeakPolarHBondContact OD1-CE 3.34Å; N154-K164 PolarHBondContact OD1-NZ 3.1Å; N154-N186 VanDerWaalsContact ND2-CG 3.3Å; N154-N186 PolarHBondContact ND2-ND2 2.87Å; N154-N186 VanDerWaalsContact ND2-ND2 3.11Å |
| 155 | W | 91.6 | Very high | 87.9 | Confident | 128 Ų | 128 | 71 Ų | 71 | 49% | 0.485 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -67.3 | -46.3 | 179.1 | 179.4 | 81.5 | 0 | 0 | 0 | 110.7 | L142 V151 D152 S157 Q158 V159 | L142-W155 HydrophobicContact CB-CZ3 4.21Å; L142-W155 HydrophobicContact CD1-CZ3 4.08Å; L142-W155 HydrophobicContact CD2-CH2 3.83Å; L142-W155 HydrophobicContact CD2-CZ3 4.01Å; L142-W155 HydrophobicContact CG-CZ3 4.31Å; V151-W155 HydrophobicContact CG1-CE3 4.41Å; D152-W155 HydrophobicContact CB-CB 4.12Å; D152-W155 PolarHBondContact O-N 3.24Å; W155-S157 VanDerWaalsContact C-N 3.3Å; W155-S157 PolarHBondContact O-N 3.48Å; W155-Q158 PolarHBondContact O-N 2.89Å; W155-V159 HydrophobicContact CD2-CG2 3.89Å; W155-V159 HydrophobicContact CE3-CG2 4.41Å; W155-V159 HydrophobicContact CG-CG2 4.31Å; W155-V159 HydrophobicContact CH2-CG2 4.39Å; W155-V159 HydrophobicContact CZ2-CG2 3.84Å; W155-V159 WeakPolarHBondContact O-CG2 3.4Å; W155-V159 PolarHBondContact O-N 3.33Å |
| 156 | A | 92.5 | Very high | 88.5 | Confident | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -58.2 | -39.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | F139 L142 V151 D152 Q158 L160 I167 | F139-A156 HydrophobicContact CD2-CB 4.05Å; F139-A156 HydrophobicContact CE2-CB 3.82Å; L142-A156 HydrophobicContact CD1-CB 4.45Å; V151-A156 HydrophobicContact CG1-CB 4.01Å; D152-A156 PolarHBondContact O-N 3.22Å; A156-Q158 VanDerWaalsContact C-N 3.29Å; A156-Q158 PolarHBondContact O-N 2.93Å; A156-L160 VanDerWaalsContact O-CB 3.23Å; A156-L160 WeakPolarHBondContact O-CB 3.42Å; A156-L160 WeakPolarHBondContact O-CG 3.46Å; A156-L160 PolarHBondContact O-N 3.21Å; A156-I167 HydrophobicContact CB-CD1 4.49Å |
| 157 | S | 93.1 | Very high | 89.1 | Confident | 20 Ų | 20 | 68 Ų | 68 | 14% | 0.14 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -62.8 | -33.8 | 175.5 | -173.5 | 0 | 0 | 0 | 0 | 112.8 | L153 N154 W155 V162 | L153-S157 VanDerWaalsContact O-CB 3.27Å; L153-S157 WeakPolarHBondContact O-CB 3.47Å; L153-S157 PolarHBondContact O-N 3.19Å; L153-S157 VanDerWaalsContact O-N 3.1Å; N154-S157 PolarHBondContact O-N 3.5Å; W155-S157 VanDerWaalsContact C-N 3.3Å; W155-S157 PolarHBondContact O-N 3.48Å; S157-V162 PolarHBondContact O-N 3.01Å; S157-V162 VanDerWaalsContact O-O 3.12Å; S157-V162 PolarHBondContact OG-O 2.96Å |
| 158 | Q | 92.5 | Very high | 90.4 | Very high | 149 Ų | 149 | 67.6 Ų | 67.6 | 70% | 0.696 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -78.1 | -49.1 | 177.3 | -67.7 | 170.5 | 40.4 | 0 | 0 | 112 | N154 W155 A156 L160 D161 | N154-Q158 WeakPolarHBondContact O-CG 3.29Å; N154-Q158 PolarHBondContact O-N 3.3Å; N154-Q158 PolarHBondContact O-NE2 2.93Å; W155-Q158 PolarHBondContact O-N 2.89Å; A156-Q158 VanDerWaalsContact C-N 3.29Å; A156-Q158 PolarHBondContact O-N 2.93Å; Q158-L160 VanDerWaalsContact C-N 3.27Å; Q158-L160 PolarHBondContact O-N 3.22Å; Q158-D161 PolarHBondContact O-N 3.38Å; Q158-D161 VanDerWaalsContact O-N 3.16Å |
| 159 | V | 91.7 | Very high | 91.4 | Very high | 73 Ų | 73 | 62.6 Ų | 62.6 | 44% | 0.442 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.9 | -33 | -177.9 | 174.7 | 0 | 0 | 0 | 0 | 112.2 | L142 W155 | L142-V159 HydrophobicContact CD1-CB 4.19Å; L142-V159 HydrophobicContact CD1-CG1 3.92Å; L142-V159 HydrophobicContact CD2-CG1 3.89Å; W155-V159 HydrophobicContact CD2-CG2 3.89Å; W155-V159 HydrophobicContact CE3-CG2 4.41Å; W155-V159 HydrophobicContact CG-CG2 4.31Å; W155-V159 HydrophobicContact CH2-CG2 4.39Å; W155-V159 HydrophobicContact CZ2-CG2 3.84Å; W155-V159 WeakPolarHBondContact O-CG2 3.4Å; W155-V159 PolarHBondContact O-N 3.33Å |
| 160 | L | 89.5 | Confident | 92.1 | Very high | 13 Ų | 13 | 62.2 Ų | 62.2 | 7% | 0.068 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -7.2 | 179.1 | -61.5 | 179.4 | 0 | 0 | 0 | 113.9 | T135 R138 F139 L142 A156 Q158 V162 I167 | T135-L160 HydrophobicContact CG2-CD1 4.09Å; R138-L160 HydrophobicContact CB-CD2 3.31Å; R138-L160 HydrophobicContact CG-CD2 4.4Å; F139-L160 HydrophobicContact CB-CD1 3.78Å; F139-L160 HydrophobicContact CD2-CD1 3.79Å; F139-L160 HydrophobicContact CG-CD1 4.29Å; L142-L160 HydrophobicContact CD1-CD1 4.28Å; L142-L160 HydrophobicContact CD1-CD2 3.9Å; L142-L160 HydrophobicContact CD1-CG 3.92Å; A156-L160 VanDerWaalsContact O-CB 3.23Å; A156-L160 WeakPolarHBondContact O-CB 3.42Å; A156-L160 WeakPolarHBondContact O-CG 3.46Å; A156-L160 PolarHBondContact O-N 3.21Å; Q158-L160 VanDerWaalsContact C-N 3.27Å; Q158-L160 PolarHBondContact O-N 3.22Å; L160-V162 VanDerWaalsContact C-N 3.29Å; L160-V162 HydrophobicContact CB-CG2 3.86Å; L160-V162 PolarHBondContact O-N 2.64Å; L160-I167 HydrophobicContact CD1-CD1 3.95Å |
| 161 | D | 91.1 | Very high | 92.3 | Very high | 140 Ų | 140 | 60.8 Ų | 60.8 | 75% | 0.749 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.9 | 44.8 | -172.4 | -166 | 31 | 0 | 0 | 0 | 112.8 | Q158 | Q158-D161 PolarHBondContact O-N 3.38Å; Q158-D161 VanDerWaalsContact O-N 3.16Å |
| 162 | V | 90.6 | Very high | 92.5 | Very high | 27 Ų | 27 | 65.3 Ų | 65.3 | 16% | 0.164 | 31% | 0.307 | C | S | . | . | trans | -129.6 | 149.2 | -180 | -61.3 | 0 | 0 | 0 | 0 | 112.8 | T135 S157 L160 R166 I167 | T135-V162 HydrophobicContact CG2-CB 4.45Å; T135-V162 HydrophobicContact CG2-CG1 3.89Å; T135-V162 HydrophobicContact CG2-CG2 3.91Å; S157-V162 PolarHBondContact O-N 3.01Å; S157-V162 VanDerWaalsContact O-O 3.12Å; S157-V162 PolarHBondContact OG-O 2.96Å; L160-V162 VanDerWaalsContact C-N 3.29Å; L160-V162 HydrophobicContact CB-CG2 3.86Å; L160-V162 PolarHBondContact O-N 2.64Å; V162-R166 HydrophobicContact CB-CB 4.36Å; V162-R166 HydrophobicContact CG2-CB 4.38Å; V162-I167 HydrophobicContact CG2-CD1 3.63Å; V162-I167 HydrophobicContact CG2-CG1 4.18Å | ||
| 163 | Q | 91.7 | Very high | 92.6 | Very high | 152 Ų | 152 | 67 Ų | 67 | 71% | 0.71 | 32% | 0.319 | S | S | * | . | trans | -62.2 | 140.3 | 173.4 | -60.8 | 177 | 3.8 | 0 | 0 | 111.4 | R165 R166 | Q163-R165 PolarHBondContact O-N 2.65Å; Q163-R166 WeakPolarHBondContact O-CB 3.26Å; Q163-R166 PolarHBondContact O-N 3.39Å | ||
| 164 | K | 89.4 | Confident | 92.6 | Very high | 86 Ų | 86 | 66.8 Ų | 66.8 | 37% | 0.374 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -47.9 | -30.4 | 176.2 | -70.7 | -172.7 | 172.7 | -175.2 | 0 | 114.8 | N154 R166 I167 Y168 | N154-K164 VanDerWaalsContact OD1-CE 3.31Å; N154-K164 WeakPolarHBondContact OD1-CE 3.34Å; N154-K164 PolarHBondContact OD1-NZ 3.1Å; K164-R166 PolarHBondContact O-N 3.27Å; K164-I167 WeakPolarHBondContact O-CB 3.17Å; K164-I167 PolarHBondContact O-N 3.07Å; K164-I167 VanDerWaalsContact O-N 3.13Å; K164-Y168 HydrophobicContact CB-CE2 4.19Å; K164-Y168 VanDerWaalsContact O-CD2 3.31Å; K164-Y168 WeakPolarHBondContact O-CD2 3.25Å; K164-Y168 PolarHBondContact O-N 3.46Å |
| 165 | R | 94.1 | Very high | 92.5 | Very high | 124 Ų | 124 | 69.2 Ų | 69.2 | 47% | 0.468 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -55.8 | -38.9 | 175.1 | -179.4 | 64.4 | -165.7 | 84.1 | 7.4 | 112.4 | Q163 Y168 D169 | Q163-R165 PolarHBondContact O-N 2.65Å; R165-Y168 PolarHBondContact O-N 3.48Å; R165-D169 IonicContact CZ-OD1 3.11Å; R165-D169 IonicContact CZ-OD2 3.67Å; R165-D169 IonicContact NH1-OD1 2.68Å; R165-D169 PolarHBondContact NH1-OD1 2.9Å; R165-D169 IonicContact NH1-OD2 3.16Å; R165-D169 PolarHBondContact NH1-OD2 3.46Å; R165-D169 VanDerWaalsContact NH1-OD2 3.16Å; R165-D169 IonicContact NH2-OD1 2.77Å; R165-D169 PolarHBondContact NH2-OD1 3.26Å; R165-D169 IonicContact NH2-OD2 3.9Å; R165-D169 PolarHBondContact O-N 3.36Å; R165-D169 VanDerWaalsContact O-N 3.16Å; R165-D169 VanDerWaalsContact O-OD2 3.09Å |
| 166 | R | 94.6 | Very high | 92.5 | Very high | 105 Ų | 105 | 66.1 Ų | 66.1 | 40% | 0.396 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -72.2 | -35.3 | 177.8 | -61.5 | -69.9 | 81.5 | 122.6 | -5.9 | 112.2 | L132 V162 Q163 K164 Y168 D169 I170 | L132-R166 HydrophobicContact CD1-CB 4.49Å; V162-R166 HydrophobicContact CB-CB 4.36Å; V162-R166 HydrophobicContact CG2-CB 4.38Å; Q163-R166 WeakPolarHBondContact O-CB 3.26Å; Q163-R166 PolarHBondContact O-N 3.39Å; K164-R166 PolarHBondContact O-N 3.27Å; R166-Y168 VanDerWaalsContact C-N 3.3Å; R166-Y168 PolarHBondContact O-N 3.02Å; R166-D169 IonicContact CZ-OD2 3.15Å; R166-D169 IonicContact NE-OD2 2.79Å; R166-D169 PolarHBondContact NE-OD2 2.86Å; R166-D169 IonicContact NH2-OD2 2.69Å; R166-D169 PolarHBondContact NH2-OD2 2.84Å; R166-D169 WeakPolarHBondContact O-CB 3.49Å; R166-D169 PolarHBondContact O-N 3.23Å; R166-I170 WeakPolarHBondContact O-CG1 3.46Å; R166-I170 PolarHBondContact O-N 2.88Å |
| 167 | I | 94.2 | Very high | 92.3 | Very high | 1 Ų | 1 | 71.2 Ų | 71.2 | 1% | 0.005 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -59.5 | -44.8 | 171.4 | -54.3 | -59 | 0 | 0 | 0 | 109.7 | F139 L153 A156 L160 V162 K164 D169 I170 T171 | F139-I167 HydrophobicContact CD2-CD1 4.2Å; F139-I167 HydrophobicContact CE2-CD1 4.29Å; F139-I167 HydrophobicContact CE2-CG2 3.86Å; F139-I167 HydrophobicContact CZ-CG2 4.19Å; L153-I167 HydrophobicContact CB-CG2 4.37Å; L153-I167 HydrophobicContact CD2-CG2 3.68Å; A156-I167 HydrophobicContact CB-CD1 4.49Å; L160-I167 HydrophobicContact CD1-CD1 3.95Å; V162-I167 HydrophobicContact CG2-CD1 3.63Å; V162-I167 HydrophobicContact CG2-CG1 4.18Å; K164-I167 WeakPolarHBondContact O-CB 3.17Å; K164-I167 PolarHBondContact O-N 3.07Å; K164-I167 VanDerWaalsContact O-N 3.13Å; I167-D169 PolarHBondContact O-N 2.93Å; I167-I170 PolarHBondContact O-N 3.28Å; I167-I170 VanDerWaalsContact O-N 3.1Å; I167-T171 HydrophobicContact CG2-CG2 4.22Å; I167-T171 WeakPolarHBondContact O-CG2 3.45Å; I167-T171 PolarHBondContact O-N 3.37Å; I167-T171 PolarHBondContact O-OG1 2.94Å |
| 168 | Y | 93.9 | Very high | 92 | Very high | 99 Ų | 99 | 77.6 Ų | 77.6 | 39% | 0.388 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -64.7 | -33.4 | 176 | -54.5 | -41.9 | 0 | 0 | 0 | 114.1 | L153 K164 R165 R166 I170 T171 N172 | L153-Y168 HydrophobicContact CD1-CE1 4.18Å; K164-Y168 HydrophobicContact CB-CE2 4.19Å; K164-Y168 VanDerWaalsContact O-CD2 3.31Å; K164-Y168 WeakPolarHBondContact O-CD2 3.25Å; K164-Y168 PolarHBondContact O-N 3.46Å; R165-Y168 PolarHBondContact O-N 3.48Å; R166-Y168 VanDerWaalsContact C-N 3.3Å; R166-Y168 PolarHBondContact O-N 3.02Å; Y168-I170 VanDerWaalsContact C-N 3.25Å; Y168-I170 PolarHBondContact O-N 2.81Å; Y168-T171 WeakPolarHBondContact CA-OG1 3.43Å; Y168-T171 PolarHBondContact O-OG1 3.2Å; Y168-N172 VanDerWaalsContact O-CB 3.29Å; Y168-N172 WeakPolarHBondContact O-CB 3.31Å; Y168-N172 PolarHBondContact O-N 2.87Å; Y168-N172 PolarHBondContact O-OD1 2.94Å; Y168-N172 VanDerWaalsContact O-OD1 3.06Å |
| 169 | D | 94.7 | Very high | 91.7 | Very high | 33 Ų | 33 | 72.7 Ų | 72.7 | 18% | 0.176 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -60.6 | -38.4 | 172.2 | -68.3 | -53.2 | 0 | 0 | 0 | 111.5 | L132 R165 R166 I167 V173 | L132-D169 HydrophobicContact CD1-CB 4.1Å; L132-D169 HydrophobicContact CD2-CB 4.18Å; R165-D169 IonicContact CZ-OD1 3.11Å; R165-D169 IonicContact CZ-OD2 3.67Å; R165-D169 IonicContact NH1-OD1 2.68Å; R165-D169 PolarHBondContact NH1-OD1 2.9Å; R165-D169 IonicContact NH1-OD2 3.16Å; R165-D169 PolarHBondContact NH1-OD2 3.46Å; R165-D169 VanDerWaalsContact NH1-OD2 3.16Å; R165-D169 IonicContact NH2-OD1 2.77Å; R165-D169 PolarHBondContact NH2-OD1 3.26Å; R165-D169 IonicContact NH2-OD2 3.9Å; R165-D169 PolarHBondContact O-N 3.36Å; R165-D169 VanDerWaalsContact O-N 3.16Å; R165-D169 VanDerWaalsContact O-OD2 3.09Å; R166-D169 IonicContact CZ-OD2 3.15Å; R166-D169 IonicContact NE-OD2 2.79Å; R166-D169 PolarHBondContact NE-OD2 2.86Å; R166-D169 IonicContact NH2-OD2 2.69Å; R166-D169 PolarHBondContact NH2-OD2 2.84Å; R166-D169 WeakPolarHBondContact O-CB 3.49Å; R166-D169 PolarHBondContact O-N 3.23Å; I167-D169 PolarHBondContact O-N 2.93Å; D169-V173 WeakPolarHBondContact O-CG2 3.16Å |
| 170 | I | 94.2 | Very high | 91.6 | Very high | 5 Ų | 5 | 69.5 Ų | 69.5 | 3% | 0.026 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -75.2 | -47.5 | 179.6 | -59.3 | 165.9 | 0 | 0 | 0 | 110.5 | L132 T135 T136 F139 R166 I167 Y168 N172 V173 L174 | L132-I170 HydrophobicContact CD1-CD1 4.13Å; L132-I170 HydrophobicContact CD1-CG1 3.78Å; L132-I170 HydrophobicContact CG-CG1 4.45Å; T135-I170 HydrophobicContact CG2-CD1 3.66Å; T136-I170 HydrophobicContact CG2-CG2 4.16Å; F139-I170 HydrophobicContact CB-CD1 4.33Å; F139-I170 HydrophobicContact CD1-CB 4.43Å; F139-I170 HydrophobicContact CD1-CG2 3.48Å; F139-I170 VanDerWaalsContact CD1-CG2 3.48Å; F139-I170 HydrophobicContact CE1-CG2 3.8Å; F139-I170 HydrophobicContact CG-CG2 4.22Å; R166-I170 WeakPolarHBondContact O-CG1 3.46Å; R166-I170 PolarHBondContact O-N 2.88Å; I167-I170 PolarHBondContact O-N 3.28Å; I167-I170 VanDerWaalsContact O-N 3.1Å; Y168-I170 VanDerWaalsContact C-N 3.25Å; Y168-I170 PolarHBondContact O-N 2.81Å; I170-N172 PolarHBondContact O-N 3.28Å; I170-V173 PolarHBondContact O-N 3.31Å; I170-L174 HydrophobicContact CG2-CD1 3.81Å; I170-L174 HydrophobicContact CG2-CG 4.39Å; I170-L174 WeakPolarHBondContact O-CG 3.4Å; I170-L174 PolarHBondContact O-N 3.48Å; I170-L174 VanDerWaalsContact O-N 3.08Å |
| 171 | T | 93.4 | Very high | 91.6 | Very high | 7 Ų | 7 | 71.6 Ų | 71.6 | 4% | 0.043 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -65.2 | -41 | -177.6 | 58.4 | 0 | 0 | 0 | 0 | 112 | F139 L153 I167 Y168 V173 L174 E175 I180 I188 | F139-T171 HydrophobicContact CE1-CG2 4.22Å; F139-T171 HydrophobicContact CZ-CG2 3.83Å; L153-T171 HydrophobicContact CD2-CG2 3.96Å; I167-T171 HydrophobicContact CG2-CG2 4.22Å; I167-T171 WeakPolarHBondContact O-CG2 3.45Å; I167-T171 PolarHBondContact O-N 3.37Å; I167-T171 PolarHBondContact O-OG1 2.94Å; Y168-T171 WeakPolarHBondContact CA-OG1 3.43Å; Y168-T171 PolarHBondContact O-OG1 3.2Å; T171-V173 VanDerWaalsContact C-N 3.26Å; T171-V173 PolarHBondContact O-N 2.85Å; T171-L174 PolarHBondContact O-N 3.38Å; T171-E175 WeakPolarHBondContact O-CB 3.43Å; T171-E175 PolarHBondContact O-N 2.82Å; T171-I180 HydrophobicContact CG2-CD1 3.87Å; T171-I188 HydrophobicContact CG2-CD1 4.05Å; T171-I188 HydrophobicContact CG2-CG2 4.45Å |
| 172 | N | 94.8 | Very high | 91.6 | Very high | 97 Ų | 97 | 71.3 Ų | 71.3 | 52% | 0.519 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -62.1 | -35 | -179.4 | -67.7 | 7.6 | 0 | 0 | 0 | 112.3 | Y168 I170 G176 | Y168-N172 VanDerWaalsContact O-CB 3.29Å; Y168-N172 WeakPolarHBondContact O-CB 3.31Å; Y168-N172 PolarHBondContact O-N 2.87Å; Y168-N172 PolarHBondContact O-OD1 2.94Å; Y168-N172 VanDerWaalsContact O-OD1 3.06Å; I170-N172 PolarHBondContact O-N 3.28Å; N172-G176 PolarHBondContact O-N 3.43Å |
| 173 | V | 93.9 | Very high | 91.5 | Very high | 90 Ų | 90 | 76.1 Ų | 76.1 | 55% | 0.545 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -73 | -45.5 | 176.1 | 175 | 0 | 0 | 0 | 0 | 110.8 | D169 I170 T171 E175 G176 I177 | D169-V173 WeakPolarHBondContact O-CG2 3.16Å; I170-V173 PolarHBondContact O-N 3.31Å; T171-V173 VanDerWaalsContact C-N 3.26Å; T171-V173 PolarHBondContact O-N 2.85Å; V173-E175 VanDerWaalsContact C-N 3.34Å; V173-E175 PolarHBondContact O-N 3.03Å; V173-G176 PolarHBondContact O-N 2.89Å; V173-I177 HydrophobicContact CG1-CD1 3.86Å; V173-I177 WeakPolarHBondContact O-CD1 3.43Å; V173-I177 VanDerWaalsContact O-CG1 3.3Å; V173-I177 WeakPolarHBondContact O-CG1 3.24Å; V173-I177 PolarHBondContact O-N 3.34Å |
| 174 | L | 91.2 | Very high | 91.4 | Very high | 15 Ų | 15 | 71.2 Ų | 71.2 | 8% | 0.079 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -67.8 | -32.6 | 178.8 | -66.2 | 176 | 0 | 0 | 0 | 112.9 | F139 L140 L143 I170 T171 I177 Q178 L179 I180 | F139-L174 HydrophobicContact CD1-CD1 4.31Å; F139-L174 HydrophobicContact CE1-CD1 4.16Å; L140-L174 HydrophobicContact CD2-CD1 3.96Å; L140-L174 HydrophobicContact CD2-CD2 4.28Å; L143-L174 HydrophobicContact CD1-CD1 4.43Å; I170-L174 HydrophobicContact CG2-CD1 3.81Å; I170-L174 HydrophobicContact CG2-CG 4.39Å; I170-L174 WeakPolarHBondContact O-CG 3.4Å; I170-L174 PolarHBondContact O-N 3.48Å; I170-L174 VanDerWaalsContact O-N 3.08Å; T171-L174 PolarHBondContact O-N 3.38Å; L174-I177 CarbonylContact O-C 3.55Å; L174-Q178 PolarHBondContact O-N 3.06Å; L174-Q178 VanDerWaalsContact O-N 3.09Å; L174-L179 HydrophobicContact CD2-CD1 4.17Å; L174-L179 PolarHBondContact O-N 3.26Å; L174-I180 HydrophobicContact CB-CD1 3.86Å; L174-I180 HydrophobicContact CB-CG1 3.77Å; L174-I180 HydrophobicContact CB-CG2 4.2Å; L174-I180 HydrophobicContact CD1-CG2 4.43Å; L174-I180 PolarHBondContact O-N 2.81Å |
| 175 | E | 90.9 | Very high | 91.3 | Very high | 89 Ų | 89 | 75.9 Ų | 75.9 | 42% | 0.416 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -71.6 | -39.7 | 173.5 | -176.4 | 172.1 | -154.7 | 0 | 0 | 110.7 | T171 V173 I177 Q178 I180 | T171-E175 WeakPolarHBondContact O-CB 3.43Å; T171-E175 PolarHBondContact O-N 2.82Å; V173-E175 VanDerWaalsContact C-N 3.34Å; V173-E175 PolarHBondContact O-N 3.03Å; E175-I177 VanDerWaalsContact C-N 3.27Å; E175-I177 PolarHBondContact O-N 3.33Å; E175-Q178 WeakPolarHBondContact O-CA 3.09Å; E175-Q178 PolarHBondContact O-N 3.19Å; E175-I180 HydrophobicContact CB-CG1 4.09Å |
| 176 | G | 89.6 | Confident | 91.1 | Very high | 63 Ų | 63 | 73.1 Ų | 73.1 | 65% | 0.649 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -63.2 | -29.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | N172 V173 Q178 | N172-G176 PolarHBondContact O-N 3.43Å; V173-G176 PolarHBondContact O-N 2.89Å; G176-Q178 VanDerWaalsContact C-N 3.34Å |
| 177 | I | 88.7 | Confident | 90.9 | Very high | 108 Ų | 108 | 70.7 Ų | 70.7 | 55% | 0.554 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | 3.2 | 172.5 | -51.9 | 160.4 | 0 | 0 | 0 | 111 | V173 L174 E175 L179 | V173-I177 HydrophobicContact CG1-CD1 3.86Å; V173-I177 WeakPolarHBondContact O-CD1 3.43Å; V173-I177 VanDerWaalsContact O-CG1 3.3Å; V173-I177 WeakPolarHBondContact O-CG1 3.24Å; V173-I177 PolarHBondContact O-N 3.34Å; L174-I177 CarbonylContact O-C 3.55Å; E175-I177 VanDerWaalsContact C-N 3.27Å; E175-I177 PolarHBondContact O-N 3.33Å; I177-L179 HydrophobicContact CB-CD1 4.49Å; I177-L179 HydrophobicContact CB-CG 4.38Å; I177-L179 HydrophobicContact CG2-CD1 4.07Å; I177-L179 HydrophobicContact CG2-CG 4.04Å; I177-L179 PolarHBondContact O-N 3.13Å; I177-L179 VanDerWaalsContact O-N 3.12Å |
| 178 | Q | 86.3 | Confident | 90.7 | Very high | 154 Ų | 154 | 71 Ų | 71 | 72% | 0.72 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.5 | 18.8 | 178.8 | -53 | -179.9 | -0.2 | 0 | 0 | 115.3 | L174 E175 G176 I180 | L174-Q178 PolarHBondContact O-N 3.06Å; L174-Q178 VanDerWaalsContact O-N 3.09Å; E175-Q178 WeakPolarHBondContact O-CA 3.09Å; E175-Q178 PolarHBondContact O-N 3.19Å; G176-Q178 VanDerWaalsContact C-N 3.34Å; Q178-I180 VanDerWaalsContact C-N 3.29Å |
| 179 | L | 86.9 | Confident | 90.5 | Very high | 46 Ų | 46 | 69.1 Ų | 69.1 | 24% | 0.241 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -78.7 | -12.6 | 175.2 | -64.5 | 176.9 | 0 | 0 | 0 | 113.1 | L174 I177 W190 L191 G192 I195 | L174-L179 HydrophobicContact CD2-CD1 4.17Å; L174-L179 PolarHBondContact O-N 3.26Å; I177-L179 HydrophobicContact CB-CD1 4.49Å; I177-L179 HydrophobicContact CB-CG 4.38Å; I177-L179 HydrophobicContact CG2-CD1 4.07Å; I177-L179 HydrophobicContact CG2-CG 4.04Å; I177-L179 PolarHBondContact O-N 3.13Å; I177-L179 VanDerWaalsContact O-N 3.12Å; L179-W190 HydrophobicContact CB-CH2 4.35Å; L179-W190 HydrophobicContact CB-CZ3 4.14Å; L179-L191 CarbonylContact O-C 3.48Å; L179-L191 WeakPolarHBondContact O-CA 3.47Å; L179-L191 PolarHBondContact O-N 3.45Å; L179-G192 PolarHBondContact O-N 3.22Å; L179-G192 VanDerWaalsContact O-N 3.07Å; L179-I195 HydrophobicContact CD2-CD1 4.12Å |
| 180 | I | 89.8 | Confident | 90.3 | Very high | 5 Ų | 5 | 70 Ų | 70 | 3% | 0.026 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 157 | 169.7 | 64.8 | 173.1 | 0 | 0 | 0 | 111.1 | T171 L174 E175 Q178 I188 Q189 W190 | T171-I180 HydrophobicContact CG2-CD1 3.87Å; L174-I180 HydrophobicContact CB-CD1 3.86Å; L174-I180 HydrophobicContact CB-CG1 3.77Å; L174-I180 HydrophobicContact CB-CG2 4.2Å; L174-I180 HydrophobicContact CD1-CG2 4.43Å; L174-I180 PolarHBondContact O-N 2.81Å; E175-I180 HydrophobicContact CB-CG1 4.09Å; Q178-I180 VanDerWaalsContact C-N 3.29Å; I180-I188 HydrophobicContact CD1-CD1 3.95Å; I180-I188 HydrophobicContact CD1-CG2 4.42Å; I180-Q189 CarbonylContact C-O 3.59Å; I180-Q189 WeakPolarHBondContact CA-O 3.29Å; I180-Q189 WeakPolarHBondContact CB-O 3.4Å; I180-W190 HydrophobicContact CG2-CE3 3.61Å; I180-W190 HydrophobicContact CG2-CZ3 4.03Å |
| 181 | S | 89.7 | Confident | 89.6 | Confident | 57 Ų | 57 | 71.9 Ų | 71.9 | 40% | 0.399 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 152.2 | 168.9 | 172.4 | 0 | 0 | 0 | 0 | 111.3 | K183 I188 Q189 | S181-K183 PolarHBondContact O-N 3.32Å; S181-I188 CarbonylContact O-C 3.58Å; S181-I188 WeakPolarHBondContact O-CA 3.38Å; S181-Q189 PolarHBondContact N-O 2.88Å; S181-Q189 PolarHBondContact O-N 3.44Å |
| 182 | K | 91.4 | Very high | 88.4 | Confident | 134 Ų | 134 | 72.2 Ų | 72.2 | 58% | 0.583 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 97.6 | -179.7 | -175.1 | -179.6 | -179.8 | 178.5 | 0 | 111 | S184 | K182-S184 WeakPolarHBondContact CG-O 3.19Å |
| 183 | K | 87.9 | Confident | 86.8 | Confident | 128 Ų | 128 | 74 Ų | 74 | 56% | 0.557 | 39% | 0.388 | S | S | * | . | trans | -71.4 | -35.4 | 177.5 | -169.4 | 172 | -175.7 | 174.2 | 0 | 112.8 | V150 S181 N187 Q189 | V150-K183 HydrophobicContact CG1-CD 4.3Å; V150-K183 HydrophobicContact CG2-CD 3.72Å; S181-K183 PolarHBondContact O-N 3.32Å; K183-N187 PolarHBondContact N-O 3.02Å; K183-N187 VanDerWaalsContact N-O 3.08Å; K183-Q189 HydrophobicContact CB-CB 4.3Å | ||
| 184 | S | 90.5 | Very high | 85.1 | Confident | 50 Ų | 50 | 78.4 Ų | 78.4 | 35% | 0.35 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -157.6 | -176.5 | 174.4 | 82.2 | 0 | 0 | 0 | 0 | 112.2 | K182 N186 N187 | K182-S184 WeakPolarHBondContact CG-O 3.19Å; S184-N186 PolarHBondContact O-N 2.99Å; S184-N187 PolarHBondContact N-O 3.33Å; S184-N187 PolarHBondContact O-N 3.32Å; S184-N187 WeakPolarHBondContact OG-CB 3.13Å; S184-N187 PolarHBondContact OG-N 3.49Å; S184-N187 PolarHBondContact OG-ND2 2.9Å |
| 185 | K | 86.6 | Confident | 83.6 | Confident | 183 Ų | 183 | 82.7 Ų | 82.7 | 80% | 0.796 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -55.7 | -32.9 | -178.6 | -174.7 | 174.3 | 179.2 | 178.2 | 0 | 114 | ||
| 186 | N | 89.6 | Confident | 82.4 | Confident | 67 Ų | 67 | 82.1 Ų | 82.1 | 36% | 0.358 | 42% | 0.417 | S | S | . | . | S | Bend | trans | -118.2 | -10.6 | -179.2 | -69.1 | -15.4 | 0 | 0 | 0 | 113.6 | D152 L153 N154 S184 | D152-N186 WeakPolarHBondContact CA-O 3.29Å; L153-N186 WeakPolarHBondContact CG-O 3.36Å; L153-N186 PolarHBondContact N-O 3.08Å; N154-N186 VanDerWaalsContact ND2-CG 3.3Å; N154-N186 PolarHBondContact ND2-ND2 2.87Å; N154-N186 VanDerWaalsContact ND2-ND2 3.11Å; S184-N186 PolarHBondContact O-N 2.99Å |
| 187 | N | 89.9 | Confident | 81.3 | Confident | 53 Ų | 53 | 84 Ų | 84 | 28% | 0.283 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 127.3 | -175.5 | -59.1 | -37.9 | 0 | 0 | 0 | 110.9 | V150 V151 D152 K183 S184 | V150-N187 HydrophobicContact CG1-CB 3.89Å; V151-N187 WeakPolarHBondContact O-CA 3.5Å; D152-N187 WeakPolarHBondContact CA-OD1 3.44Å; D152-N187 WeakPolarHBondContact CB-OD1 3.38Å; K183-N187 PolarHBondContact N-O 3.02Å; K183-N187 VanDerWaalsContact N-O 3.08Å; S184-N187 PolarHBondContact N-O 3.33Å; S184-N187 PolarHBondContact O-N 3.32Å; S184-N187 WeakPolarHBondContact OG-CB 3.13Å; S184-N187 PolarHBondContact OG-N 3.49Å; S184-N187 PolarHBondContact OG-ND2 2.9Å |
| 188 | I | 91.6 | Very high | 80.6 | Confident | 9 Ų | 9 | 82 Ų | 82 | 5% | 0.046 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 155.8 | 167.2 | 57.7 | 162.8 | 0 | 0 | 0 | 109.9 | F139 L143 V150 V151 L153 T171 I180 S181 | F139-I188 HydrophobicContact CE1-CD1 4.01Å; F139-I188 HydrophobicContact CZ-CD1 3.54Å; L143-I188 HydrophobicContact CD2-CD1 3.92Å; L143-I188 HydrophobicContact CD2-CG1 4.44Å; V150-I188 WeakPolarHBondContact CA-O 3.29Å; V151-I188 HydrophobicContact CB-CG1 4.28Å; V151-I188 PolarHBondContact N-O 2.73Å; V151-I188 WeakPolarHBondContact O-CG1 3.45Å; V151-I188 PolarHBondContact O-N 3.27Å; L153-I188 HydrophobicContact CD1-CG2 4.38Å; L153-I188 HydrophobicContact CD2-CD1 4.03Å; L153-I188 HydrophobicContact CD2-CG1 3.91Å; L153-I188 HydrophobicContact CD2-CG2 3.93Å; L153-I188 HydrophobicContact CG-CG2 4.4Å; T171-I188 HydrophobicContact CG2-CD1 4.05Å; T171-I188 HydrophobicContact CG2-CG2 4.45Å; I180-I188 HydrophobicContact CD1-CD1 3.95Å; I180-I188 HydrophobicContact CD1-CG2 4.42Å; S181-I188 CarbonylContact O-C 3.58Å; S181-I188 WeakPolarHBondContact O-CA 3.38Å |
| 189 | Q | 89.8 | Confident | 80.4 | Confident | 59 Ų | 59 | 79.6 Ų | 79.6 | 28% | 0.276 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 129.1 | 174.3 | -174.3 | 168.5 | 4.4 | 0 | 0 | 109.8 | G149 V150 I180 S181 K183 L191 | G149-Q189 CarbonylContact O-C 3.53Å; G149-Q189 VanDerWaalsContact O-CA 3.3Å; G149-Q189 WeakPolarHBondContact O-CA 3.2Å; V150-Q189 HydrophobicContact CG2-CB 4.24Å; V150-Q189 HydrophobicContact CG2-CG 4.1Å; I180-Q189 CarbonylContact C-O 3.59Å; I180-Q189 WeakPolarHBondContact CA-O 3.29Å; I180-Q189 WeakPolarHBondContact CB-O 3.4Å; S181-Q189 PolarHBondContact N-O 2.88Å; S181-Q189 PolarHBondContact O-N 3.44Å; K183-Q189 HydrophobicContact CB-CB 4.3Å; Q189-L191 PolarHBondContact O-N 3.33Å |
| 190 | W | 89.5 | Confident | 80.3 | Confident | 50 Ų | 50 | 81.5 Ų | 81.5 | 19% | 0.189 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 118 | 170.7 | -174.3 | -121.3 | 0 | 0 | 0 | 109.8 | L140 L143 G149 L179 I180 | L140-W190 HydrophobicContact CD2-CH2 3.77Å; L140-W190 HydrophobicContact CD2-CZ3 3.75Å; L143-W190 HydrophobicContact CB-CD2 4.23Å; L143-W190 HydrophobicContact CB-CE3 4.17Å; L143-W190 HydrophobicContact CB-CG 4.38Å; L143-W190 HydrophobicContact CD1-CE3 3.85Å; L143-W190 HydrophobicContact CD1-CZ3 4.2Å; L143-W190 HydrophobicContact CD2-CB 4.01Å; L143-W190 HydrophobicContact CD2-CE3 4.38Å; L143-W190 HydrophobicContact CG-CE3 4.37Å; G149-W190 WeakPolarHBondContact O-CB 3.43Å; G149-W190 PolarHBondContact O-N 2.92Å; L179-W190 HydrophobicContact CB-CH2 4.35Å; L179-W190 HydrophobicContact CB-CZ3 4.14Å; I180-W190 HydrophobicContact CG2-CE3 3.61Å; I180-W190 HydrophobicContact CG2-CZ3 4.03Å |
| 191 | L | 80.3 | Confident | 80.1 | Confident | 46 Ų | 46 | 84.4 Ų | 84.4 | 24% | 0.241 | 44% | 0.437 | C | S | . | . | trans | -99.7 | -13 | 171.6 | -57.2 | -178.7 | 0 | 0 | 0 | 111.7 | L179 Q189 N193 R194 | L179-L191 CarbonylContact O-C 3.48Å; L179-L191 WeakPolarHBondContact O-CA 3.47Å; L179-L191 PolarHBondContact O-N 3.45Å; Q189-L191 PolarHBondContact O-N 3.33Å; L191-N193 PolarHBondContact O-N 3.28Å; L191-N193 VanDerWaalsContact O-N 3.13Å; L191-R194 WeakPolarHBondContact O-CA 3.49Å; L191-R194 WeakPolarHBondContact O-CB 3.41Å; L191-R194 PolarHBondContact O-N 3.41Å | ||
| 192 | G | 68.5 | Low | 80.1 | Confident | 13 Ų | 13 | 89.2 Ų | 89.2 | 13% | 0.134 | 45% | 0.447 | C | S | . | . | G | 310 helix | trans | -61.5 | -21 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | L179 R194 I195 | L179-G192 PolarHBondContact O-N 3.22Å; L179-G192 VanDerWaalsContact O-N 3.07Å; G192-R194 PolarHBondContact O-N 3.48Å; G192-I195 PolarHBondContact O-N 3.23Å |
| 193 | N | 60.9 | Low | 80.1 | Confident | 134 Ų | 134 | 88 Ų | 88 | 72% | 0.717 | 44% | 0.443 | S | S | * | . | G | 310 helix | trans | -79 | 1.2 | 170.4 | -145.4 | 67.8 | 0 | 0 | 0 | 113.4 | L191 | L191-N193 PolarHBondContact O-N 3.28Å; L191-N193 VanDerWaalsContact O-N 3.13Å |
| 194 | R | 58.4 | Low | 80.4 | Confident | 184 Ų | 184 | 88.9 Ų | 88.9 | 69% | 0.694 | 45% | 0.447 | S | S | * | . | G | 310 helix | trans | -96.8 | 0.7 | 167.8 | -57.8 | 174.4 | 154.7 | -93.6 | -3.2 | 112.7 | L191 G192 D196 | L191-R194 WeakPolarHBondContact O-CA 3.49Å; L191-R194 WeakPolarHBondContact O-CB 3.41Å; L191-R194 PolarHBondContact O-N 3.41Å; G192-R194 PolarHBondContact O-N 3.48Å; R194-D196 PolarHBondContact O-N 3.36Å |
| 195 | I | 59.3 | Low | 80.6 | Confident | 105 Ų | 105 | 92.2 Ų | 92.2 | 54% | 0.538 | 46% | 0.457 | S | S | . | . | S | Bend | trans | -69.1 | 85.7 | 151.2 | -58 | 176 | 0 | 0 | 0 | 104 | L179 G192 T197 V200 | L179-I195 HydrophobicContact CD2-CD1 4.12Å; G192-I195 PolarHBondContact O-N 3.23Å; I195-T197 PolarHBondContact O-N 3.45Å; I195-V200 HydrophobicContact CG2-CG2 4.19Å |
| 196 | D | 64.6 | Low | 81.1 | Confident | 76 Ų | 76 | 87.1 Ų | 87.1 | 41% | 0.406 | 44% | 0.438 | S | S | . | . | trans | -60.2 | 135.8 | -164 | -169.1 | -10 | 0 | 0 | 0 | 109.9 | R194 S198 L199 V200 | R194-D196 PolarHBondContact O-N 3.36Å; D196-S198 PolarHBondContact O-N 3.48Å; D196-S198 VanDerWaalsContact O-N 3.13Å; D196-S198 PolarHBondContact OD1-N 3.05Å; D196-S198 PolarHBondContact OD1-OG 2.7Å; D196-S198 WeakPolarHBondContact OD2-CB 3.44Å; D196-S198 PolarHBondContact OD2-OG 3.15Å; D196-L199 HydrophobicContact CB-CB 4.37Å; D196-L199 HydrophobicContact CB-CD1 4.17Å; D196-L199 HydrophobicContact CB-CG 4.06Å; D196-L199 WeakPolarHBondContact O-CA 3.47Å; D196-L199 WeakPolarHBondContact O-CB 3.46Å; D196-L199 PolarHBondContact O-N 3.32Å; D196-V200 PolarHBondContact O-N 3.09Å; D196-V200 VanDerWaalsContact O-N 3.1Å | ||
| 197 | T | 68 | Low | 81.4 | Confident | 104 Ų | 104 | 89 Ų | 89 | 64% | 0.638 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -55.6 | -27.6 | 170.1 | -56.2 | 0 | 0 | 0 | 0 | 110.2 | I195 S201 | I195-T197 PolarHBondContact O-N 3.45Å; T197-S201 VanDerWaalsContact O-CB 3.27Å; T197-S201 WeakPolarHBondContact O-CB 3.26Å; T197-S201 PolarHBondContact O-N 2.86Å; T197-S201 PolarHBondContact O-OG 3.22Å |
| 198 | S | 74 | Confident | 81.8 | Confident | 64 Ų | 64 | 93.4 Ų | 93.4 | 45% | 0.448 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -62.7 | -43.7 | 170.4 | 82.8 | 0 | 0 | 0 | 0 | 112.4 | D196 S201 R202 | D196-S198 PolarHBondContact O-N 3.48Å; D196-S198 VanDerWaalsContact O-N 3.13Å; D196-S198 PolarHBondContact OD1-N 3.05Å; D196-S198 PolarHBondContact OD1-OG 2.7Å; D196-S198 WeakPolarHBondContact OD2-CB 3.44Å; D196-S198 PolarHBondContact OD2-OG 3.15Å; S198-S201 PolarHBondContact O-N 2.88Å; S198-R202 VanDerWaalsContact O-CB 3.28Å; S198-R202 WeakPolarHBondContact O-CB 3.19Å; S198-R202 PolarHBondContact O-N 2.88Å |
| 199 | L | 81.9 | Confident | 82.1 | Confident | 104 Ų | 104 | 98 Ų | 98 | 55% | 0.545 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -68.2 | -40.5 | 179.6 | -71.2 | 173 | 0 | 0 | 0 | 111.9 | D196 H203 | D196-L199 HydrophobicContact CB-CB 4.37Å; D196-L199 HydrophobicContact CB-CD1 4.17Å; D196-L199 HydrophobicContact CB-CG 4.06Å; D196-L199 WeakPolarHBondContact O-CA 3.47Å; D196-L199 WeakPolarHBondContact O-CB 3.46Å; D196-L199 PolarHBondContact O-N 3.32Å; L199-H203 VanDerWaalsContact O-CB 3.27Å; L199-H203 WeakPolarHBondContact O-CB 3.41Å; L199-H203 PolarHBondContact O-N 3.31Å |
| 200 | V | 84.1 | Confident | 82.5 | Confident | 86 Ų | 86 | 99.5 Ų | 99.5 | 52% | 0.521 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66.7 | -39.3 | 174.7 | -179.4 | 0 | 0 | 0 | 0 | 110.9 | I195 D196 K204 | I195-V200 HydrophobicContact CG2-CG2 4.19Å; D196-V200 PolarHBondContact O-N 3.09Å; D196-V200 VanDerWaalsContact O-N 3.1Å; V200-K204 WeakPolarHBondContact O-CB 3.45Å; V200-K204 PolarHBondContact O-N 2.8Å |
| 201 | S | 85.4 | Confident | 82.9 | Confident | 66 Ų | 66 | 101.1 Ų | 101.1 | 46% | 0.462 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.3 | -46.7 | 176.6 | -57.3 | 0 | 0 | 0 | 0 | 111.5 | T197 S198 H203 K204 E205 | T197-S201 VanDerWaalsContact O-CB 3.27Å; T197-S201 WeakPolarHBondContact O-CB 3.26Å; T197-S201 PolarHBondContact O-N 2.86Å; T197-S201 PolarHBondContact O-OG 3.22Å; S198-S201 PolarHBondContact O-N 2.88Å; S201-H203 VanDerWaalsContact C-N 3.35Å; S201-H203 PolarHBondContact O-N 3.05Å; S201-K204 WeakPolarHBondContact O-CB 3.42Å; S201-K204 PolarHBondContact O-N 2.87Å; S201-K204 VanDerWaalsContact O-N 3.15Å; S201-E205 WeakPolarHBondContact O-CB 3.36Å; S201-E205 PolarHBondContact O-N 3.37Å |
| 202 | R | 90 | Very high | 83.8 | Confident | 159 Ų | 159 | 103.1 Ų | 103.1 | 60% | 0.6 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61.6 | -40.4 | 175.4 | -174.2 | -179.9 | -178.8 | -167.8 | 0.5 | 111.9 | S198 K204 E205 L206 | S198-R202 VanDerWaalsContact O-CB 3.28Å; S198-R202 WeakPolarHBondContact O-CB 3.19Å; S198-R202 PolarHBondContact O-N 2.88Å; R202-K204 VanDerWaalsContact C-N 3.32Å; R202-K204 PolarHBondContact O-N 3.4Å; R202-E205 PolarHBondContact O-N 3.23Å; R202-L206 HydrophobicContact CG-CD1 4.05Å; R202-L206 HydrophobicContact CG-CG 4.4Å; R202-L206 WeakPolarHBondContact O-CB 3.47Å; R202-L206 VanDerWaalsContact O-CG 3.29Å; R202-L206 WeakPolarHBondContact O-CG 3.27Å; R202-L206 PolarHBondContact O-N 3.46Å |
| 203 | H | 91 | Very high | 85.2 | Confident | 109 Ų | 109 | 107.6 Ų | 107.6 | 51% | 0.505 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.4 | -41.3 | 174.6 | -179.2 | 60.4 | 0 | 0 | 0 | 111.6 | L199 S201 Q207 | L199-H203 VanDerWaalsContact O-CB 3.27Å; L199-H203 WeakPolarHBondContact O-CB 3.41Å; L199-H203 PolarHBondContact O-N 3.31Å; S201-H203 VanDerWaalsContact C-N 3.35Å; S201-H203 PolarHBondContact O-N 3.05Å; H203-Q207 PolarHBondContact NE2-NE2 3.26Å; H203-Q207 WeakPolarHBondContact O-CB 3.29Å; H203-Q207 VanDerWaalsContact O-CG 3.32Å; H203-Q207 WeakPolarHBondContact O-CG 3.28Å; H203-Q207 PolarHBondContact O-N 3.44Å |
| 204 | K | 93.8 | Very high | 87 | Confident | 145 Ų | 145 | 104 Ų | 104 | 63% | 0.63 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -68.1 | -34.5 | 176.1 | -174.6 | 178.9 | 178.2 | -177.3 | 0 | 112.9 | V200 S201 R202 R208 | V200-K204 WeakPolarHBondContact O-CB 3.45Å; V200-K204 PolarHBondContact O-N 2.8Å; S201-K204 WeakPolarHBondContact O-CB 3.42Å; S201-K204 PolarHBondContact O-N 2.87Å; S201-K204 VanDerWaalsContact O-N 3.15Å; R202-K204 VanDerWaalsContact C-N 3.32Å; R202-K204 PolarHBondContact O-N 3.4Å; K204-R208 PolarHBondContact O-N 3.08Å; K204-R208 VanDerWaalsContact O-N 3.08Å |
| 205 | E | 95.7 | Very high | 88.9 | Confident | 120 Ų | 120 | 100.6 Ų | 100.6 | 56% | 0.561 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -67.3 | -51.4 | 174.4 | -176.9 | 164.1 | -125.8 | 0 | 0 | 111.1 | S201 R202 Q207 R208 E209 | S201-E205 WeakPolarHBondContact O-CB 3.36Å; S201-E205 PolarHBondContact O-N 3.37Å; R202-E205 PolarHBondContact O-N 3.23Å; E205-Q207 VanDerWaalsContact C-N 3.28Å; E205-Q207 PolarHBondContact O-N 2.88Å; E205-R208 WeakPolarHBondContact O-CA 3.44Å; E205-R208 WeakPolarHBondContact O-CB 3.49Å; E205-R208 PolarHBondContact O-N 3.08Å; E205-E209 PolarHBondContact O-N 3.08Å |
| 206 | L | 97.1 | Very high | 90.8 | Very high | 76 Ų | 76 | 98.1 Ų | 98.1 | 40% | 0.398 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.1 | -36.5 | 173.3 | -69.5 | 169.2 | 0 | 0 | 0 | 112.3 | R202 R208 E209 V210 | R202-L206 HydrophobicContact CG-CD1 4.05Å; R202-L206 HydrophobicContact CG-CG 4.4Å; R202-L206 WeakPolarHBondContact O-CB 3.47Å; R202-L206 VanDerWaalsContact O-CG 3.29Å; R202-L206 WeakPolarHBondContact O-CG 3.27Å; R202-L206 PolarHBondContact O-N 3.46Å; L206-R208 VanDerWaalsContact C-N 3.34Å; L206-E209 PolarHBondContact O-N 3.44Å; L206-V210 WeakPolarHBondContact O-CB 3.32Å; L206-V210 VanDerWaalsContact O-CG2 3.26Å; L206-V210 WeakPolarHBondContact O-CG2 3.27Å; L206-V210 PolarHBondContact O-N 2.88Å |
| 207 | Q | 96.9 | Very high | 92.4 | Very high | 107 Ų | 107 | 100.4 Ų | 100.4 | 50% | 0.5 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.1 | -35.8 | 173.2 | -83.3 | -173.2 | -36.7 | 0 | 0 | 112.7 | H203 E205 C211 | H203-Q207 PolarHBondContact NE2-NE2 3.26Å; H203-Q207 WeakPolarHBondContact O-CB 3.29Å; H203-Q207 VanDerWaalsContact O-CG 3.32Å; H203-Q207 WeakPolarHBondContact O-CG 3.28Å; H203-Q207 PolarHBondContact O-N 3.44Å; E205-Q207 VanDerWaalsContact C-N 3.28Å; E205-Q207 PolarHBondContact O-N 2.88Å; Q207-C211 PolarHBondContact O-N 3.13Å; Q207-C211 PolarHBondContact O-SG 3.1Å; Q207-C211 VanDerWaalsContact O-SG 3.34Å |
| 208 | R | 97.6 | Very high | 93.9 | Very high | 146 Ų | 146 | 101.8 Ų | 101.8 | 55% | 0.551 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -67.9 | -50.9 | 172.5 | -175.6 | -165.7 | -66.4 | 139.1 | -2.6 | 110.1 | K204 E205 L206 V210 C211 D212 | K204-R208 PolarHBondContact O-N 3.08Å; K204-R208 VanDerWaalsContact O-N 3.08Å; E205-R208 WeakPolarHBondContact O-CA 3.44Å; E205-R208 WeakPolarHBondContact O-CB 3.49Å; E205-R208 PolarHBondContact O-N 3.08Å; L206-R208 VanDerWaalsContact C-N 3.34Å; R208-V210 VanDerWaalsContact C-N 3.27Å; R208-V210 PolarHBondContact O-N 3.42Å; R208-C211 CarbonylContact O-C 3.52Å; R208-C211 WeakPolarHBondContact O-CA 3.42Å; R208-C211 WeakPolarHBondContact O-CB 3.42Å; R208-C211 PolarHBondContact O-N 2.94Å; R208-D212 WeakPolarHBondContact CG-OD2 3.38Å; R208-D212 VanDerWaalsContact O-CG 3.25Å; R208-D212 PolarHBondContact O-N 3.31Å |
| 209 | E | 98 | Very high | 95 | Very high | 105 Ų | 105 | 103.7 Ų | 103.7 | 49% | 0.491 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -54.7 | -42.8 | 179.5 | -174.4 | 179.1 | -173.1 | 0 | 0 | 111.7 | E205 L206 D212 L213 | E205-E209 PolarHBondContact O-N 3.08Å; L206-E209 PolarHBondContact O-N 3.44Å; E209-D212 PolarHBondContact O-N 3Å; E209-L213 HydrophobicContact CG-CD1 4.06Å; E209-L213 VanDerWaalsContact O-CB 3.29Å; E209-L213 WeakPolarHBondContact O-CB 3.2Å; E209-L213 WeakPolarHBondContact O-CG 3.16Å; E209-L213 PolarHBondContact O-N 2.94Å |
| 210 | V | 98.4 | Very high | 95.8 | Very high | 91 Ų | 91 | 103.5 Ų | 103.5 | 55% | 0.552 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.9 | -43.1 | 173.1 | 168.6 | 0 | 0 | 0 | 0 | 112 | L206 R208 T214 | L206-V210 WeakPolarHBondContact O-CB 3.32Å; L206-V210 VanDerWaalsContact O-CG2 3.26Å; L206-V210 WeakPolarHBondContact O-CG2 3.27Å; L206-V210 PolarHBondContact O-N 2.88Å; R208-V210 VanDerWaalsContact C-N 3.27Å; R208-V210 PolarHBondContact O-N 3.42Å; V210-T214 WeakPolarHBondContact O-CB 3.39Å; V210-T214 PolarHBondContact O-N 3.49Å; V210-T214 PolarHBondContact O-OG1 3.32Å |
| 211 | C | 98.3 | Very high | 96.5 | Very high | 83 Ų | 83 | 104.1 Ų | 104.1 | 56% | 0.561 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.8 | -44.9 | 175.1 | -72.2 | 0 | 0 | 0 | 0 | 112.7 | Q207 R208 L213 T214 E215 | Q207-C211 PolarHBondContact O-N 3.13Å; Q207-C211 PolarHBondContact O-SG 3.1Å; Q207-C211 VanDerWaalsContact O-SG 3.34Å; R208-C211 CarbonylContact O-C 3.52Å; R208-C211 WeakPolarHBondContact O-CA 3.42Å; R208-C211 WeakPolarHBondContact O-CB 3.42Å; R208-C211 PolarHBondContact O-N 2.94Å; C211-L213 VanDerWaalsContact C-N 3.32Å; C211-L213 PolarHBondContact O-N 2.71Å; C211-T214 PolarHBondContact O-N 3.48Å; C211-E215 PolarHBondContact O-N 2.89Å |
| 212 | D | 98.3 | Very high | 97.1 | Very high | 89 Ų | 89 | 107.7 Ų | 107.7 | 48% | 0.476 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.4 | -38.3 | -179.9 | -60.2 | -9 | 0 | 0 | 0 | 110.6 | R208 E209 A216 | R208-D212 WeakPolarHBondContact CG-OD2 3.38Å; R208-D212 VanDerWaalsContact O-CG 3.25Å; R208-D212 PolarHBondContact O-N 3.31Å; E209-D212 PolarHBondContact O-N 3Å; D212-A216 PolarHBondContact O-N 2.75Å; D212-A216 VanDerWaalsContact O-N 3.1Å |
| 213 | L | 98.4 | Very high | 97.5 | Very high | 107 Ų | 107 | 105.2 Ų | 105.2 | 56% | 0.56 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -68.7 | -41.7 | 174.1 | -73.5 | 171.4 | 0 | 0 | 0 | 112.6 | E209 C211 E215 A216 E217 | E209-L213 HydrophobicContact CG-CD1 4.06Å; E209-L213 VanDerWaalsContact O-CB 3.29Å; E209-L213 WeakPolarHBondContact O-CB 3.2Å; E209-L213 WeakPolarHBondContact O-CG 3.16Å; E209-L213 PolarHBondContact O-N 2.94Å; C211-L213 VanDerWaalsContact C-N 3.32Å; C211-L213 PolarHBondContact O-N 2.71Å; L213-E215 VanDerWaalsContact C-N 3.33Å; L213-A216 PolarHBondContact O-N 3.29Å; L213-E217 WeakPolarHBondContact O-CB 3.38Å; L213-E217 PolarHBondContact O-N 3.4Å |
| 214 | T | 98.5 | Very high | 97.9 | Very high | 58 Ų | 58 | 104.1 Ų | 104.1 | 36% | 0.356 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.4 | -39.2 | 174.5 | -62.2 | 0 | 0 | 0 | 0 | 111.5 | V210 C211 A216 E217 E218 | V210-T214 WeakPolarHBondContact O-CB 3.39Å; V210-T214 PolarHBondContact O-N 3.49Å; V210-T214 PolarHBondContact O-OG1 3.32Å; C211-T214 PolarHBondContact O-N 3.48Å; T214-A216 VanDerWaalsContact C-N 3.33Å; T214-A216 PolarHBondContact O-N 3.22Å; T214-E217 PolarHBondContact O-N 2.93Å; T214-E218 HydrophobicContact CG2-CG 4.5Å; T214-E218 WeakPolarHBondContact O-CG 3.46Å; T214-E218 PolarHBondContact O-N 2.62Å |
| 215 | E | 98.6 | Very high | 98.1 | Very high | 113 Ų | 113 | 101 Ų | 101 | 53% | 0.528 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.1 | -40.4 | 174.2 | -169.4 | -178 | 160.9 | 0 | 0 | 111.5 | C211 L213 Q219 | C211-E215 PolarHBondContact O-N 2.89Å; L213-E215 VanDerWaalsContact C-N 3.33Å; E215-Q219 WeakPolarHBondContact O-CB 3.48Å; E215-Q219 VanDerWaalsContact O-CG 3.26Å; E215-Q219 WeakPolarHBondContact O-CG 3.42Å; E215-Q219 PolarHBondContact O-N 3.27Å; E215-Q219 PolarHBondContact OE1-NE2 2.76Å |
| 216 | A | 98.3 | Very high | 98.2 | Very high | 52 Ų | 52 | 101.6 Ų | 101.6 | 43% | 0.43 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -67 | -36.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | D212 L213 T214 L220 | D212-A216 PolarHBondContact O-N 2.75Å; D212-A216 VanDerWaalsContact O-N 3.1Å; L213-A216 PolarHBondContact O-N 3.29Å; T214-A216 VanDerWaalsContact C-N 3.33Å; T214-A216 PolarHBondContact O-N 3.22Å; A216-L220 WeakPolarHBondContact O-CB 3.38Å; A216-L220 PolarHBondContact O-N 2.76Å |
| 217 | E | 98.6 | Very high | 98.3 | Very high | 125 Ų | 125 | 101.3 Ų | 101.3 | 58% | 0.584 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.5 | -48.3 | 173.9 | -172.8 | 174.8 | -163.3 | 0 | 0 | 111 | L213 T214 Q219 L220 D221 | L213-E217 WeakPolarHBondContact O-CB 3.38Å; L213-E217 PolarHBondContact O-N 3.4Å; T214-E217 PolarHBondContact O-N 2.93Å; E217-Q219 VanDerWaalsContact C-N 3.33Å; E217-Q219 PolarHBondContact O-N 2.8Å; E217-L220 PolarHBondContact O-N 3.25Å; E217-L220 VanDerWaalsContact O-N 3.15Å; E217-D221 PolarHBondContact O-N 3.34Å |
| 218 | E | 98.6 | Very high | 98.3 | Very high | 133 Ų | 133 | 98.8 Ų | 98.8 | 62% | 0.621 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -59.2 | -41.1 | 175.8 | -73.6 | -178.9 | 179.3 | 0 | 0 | 112.3 | T214 E222 | T214-E218 HydrophobicContact CG2-CG 4.5Å; T214-E218 WeakPolarHBondContact O-CG 3.46Å; T214-E218 PolarHBondContact O-N 2.62Å; E218-E222 PolarHBondContact O-N 3.47Å; E218-E222 VanDerWaalsContact O-N 3.08Å |
| 219 | Q | 98.6 | Very high | 98.3 | Very high | 103 Ų | 103 | 96.5 Ų | 96.5 | 48% | 0.481 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.3 | -40.1 | 175.1 | -73.4 | 176.3 | 25.5 | 0 | 0 | 112.4 | E215 E217 E222 L223 | E215-Q219 WeakPolarHBondContact O-CB 3.48Å; E215-Q219 VanDerWaalsContact O-CG 3.26Å; E215-Q219 WeakPolarHBondContact O-CG 3.42Å; E215-Q219 PolarHBondContact O-N 3.27Å; E215-Q219 PolarHBondContact OE1-NE2 2.76Å; E217-Q219 VanDerWaalsContact C-N 3.33Å; E217-Q219 PolarHBondContact O-N 2.8Å; Q219-E222 PolarHBondContact O-N 3.38Å; Q219-L223 WeakPolarHBondContact O-CG 3.43Å; Q219-L223 PolarHBondContact O-N 3.32Å |
| 220 | L | 98.6 | Very high | 98.2 | Very high | 101 Ų | 101 | 97.1 Ų | 97.1 | 53% | 0.529 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67.2 | -42.2 | 178.2 | -177.4 | 59.4 | 0 | 0 | 0 | 111.3 | A216 E217 E222 L223 I224 | A216-L220 WeakPolarHBondContact O-CB 3.38Å; A216-L220 PolarHBondContact O-N 2.76Å; E217-L220 PolarHBondContact O-N 3.25Å; E217-L220 VanDerWaalsContact O-N 3.15Å; L220-E222 VanDerWaalsContact C-N 3.35Å; L220-E222 PolarHBondContact O-N 3.25Å; L220-L223 PolarHBondContact O-N 3.4Å; L220-I224 HydrophobicContact CD1-CD1 4.24Å; L220-I224 HydrophobicContact CD1-CG1 4.38Å; L220-I224 HydrophobicContact CG-CD1 3.88Å; L220-I224 HydrophobicContact CG-CG1 4.45Å; L220-I224 WeakPolarHBondContact O-CG1 3.31Å; L220-I224 PolarHBondContact O-N 3.13Å |
| 221 | D | 98.6 | Very high | 98.1 | Very high | 99 Ų | 99 | 97.5 Ų | 97.5 | 53% | 0.529 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.2 | -38.4 | 175.1 | -90.5 | -9 | 0 | 0 | 0 | 112.4 | E217 L223 I224 S225 | E217-D221 PolarHBondContact O-N 3.34Å; D221-L223 PolarHBondContact O-N 3.23Å; D221-I224 PolarHBondContact O-N 3.43Å; D221-S225 WeakPolarHBondContact O-CB 3.42Å; D221-S225 PolarHBondContact O-N 3.07Å |
| 222 | E | 98.4 | Very high | 97.8 | Very high | 140 Ų | 140 | 100.2 Ų | 100.2 | 65% | 0.654 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -60.7 | -45 | 172.6 | -167.8 | -172.2 | 163.5 | 0 | 0 | 111.2 | E218 Q219 L220 S225 K226 | E218-E222 PolarHBondContact O-N 3.47Å; E218-E222 VanDerWaalsContact O-N 3.08Å; Q219-E222 PolarHBondContact O-N 3.38Å; L220-E222 VanDerWaalsContact C-N 3.35Å; L220-E222 PolarHBondContact O-N 3.25Å; E222-S225 PolarHBondContact O-N 3Å; E222-K226 VanDerWaalsContact O-CB 3.29Å; E222-K226 WeakPolarHBondContact O-CB 3.45Å; E222-K226 PolarHBondContact O-N 2.99Å |
| 223 | L | 98.5 | Very high | 97.6 | Very high | 108 Ų | 108 | 101.2 Ų | 101.2 | 57% | 0.565 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -66.1 | -42.4 | 178.8 | -68.3 | 174.5 | 0 | 0 | 0 | 112.4 | Q219 L220 D221 K226 C227 | Q219-L223 WeakPolarHBondContact O-CG 3.43Å; Q219-L223 PolarHBondContact O-N 3.32Å; L220-L223 PolarHBondContact O-N 3.4Å; D221-L223 PolarHBondContact O-N 3.23Å; L223-K226 PolarHBondContact O-N 3.29Å; L223-C227 VanDerWaalsContact O-CB 3.29Å; L223-C227 WeakPolarHBondContact O-CB 3.43Å; L223-C227 PolarHBondContact O-N 2.89Å |
| 224 | I | 98.6 | Very high | 97.3 | Very high | 86 Ų | 86 | 100.3 Ų | 100.3 | 44% | 0.441 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.6 | -45 | 175.3 | -70 | 168.8 | 0 | 0 | 0 | 110.2 | L220 D221 C227 T228 | L220-I224 HydrophobicContact CD1-CD1 4.24Å; L220-I224 HydrophobicContact CD1-CG1 4.38Å; L220-I224 HydrophobicContact CG-CD1 3.88Å; L220-I224 HydrophobicContact CG-CG1 4.45Å; L220-I224 WeakPolarHBondContact O-CG1 3.31Å; L220-I224 PolarHBondContact O-N 3.13Å; D221-I224 PolarHBondContact O-N 3.43Å; I224-C227 PolarHBondContact O-N 3.25Å; I224-T228 VanDerWaalsContact O-CB 3.25Å; I224-T228 WeakPolarHBondContact O-CB 3.39Å; I224-T228 PolarHBondContact O-N 3.24Å; I224-T228 PolarHBondContact O-OG1 2.83Å |
| 225 | S | 98.5 | Very high | 96.9 | Very high | 80 Ų | 80 | 101.6 Ų | 101.6 | 56% | 0.559 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -60.3 | -47.7 | 177.3 | -178.4 | 0 | 0 | 0 | 0 | 111.6 | D221 E222 T228 L229 | D221-S225 WeakPolarHBondContact O-CB 3.42Å; D221-S225 PolarHBondContact O-N 3.07Å; E222-S225 PolarHBondContact O-N 3Å; S225-T228 PolarHBondContact O-N 3.08Å; S225-L229 WeakPolarHBondContact O-CB 3.41Å; S225-L229 PolarHBondContact O-N 3.22Å |
| 226 | K | 98.2 | Very high | 96.4 | Very high | 132 Ų | 132 | 102.7 Ų | 102.7 | 57% | 0.574 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62.2 | -45.2 | 177 | -177.4 | 179.5 | 178 | -178.4 | 0 | 112.5 | E222 L223 L229 Q230 | E222-K226 VanDerWaalsContact O-CB 3.29Å; E222-K226 WeakPolarHBondContact O-CB 3.45Å; E222-K226 PolarHBondContact O-N 2.99Å; L223-K226 PolarHBondContact O-N 3.29Å; K226-L229 PolarHBondContact O-N 3.42Å; K226-Q230 WeakPolarHBondContact O-CB 3.3Å; K226-Q230 PolarHBondContact O-N 3.36Å |
| 227 | C | 98.3 | Very high | 96 | Very high | 70 Ų | 70 | 105.1 Ų | 105.1 | 47% | 0.473 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.8 | -46.7 | 177.2 | -171.7 | 0 | 0 | 0 | 0 | 111.4 | L223 I224 L229 Q230 L231 | L223-C227 VanDerWaalsContact O-CB 3.29Å; L223-C227 WeakPolarHBondContact O-CB 3.43Å; L223-C227 PolarHBondContact O-N 2.89Å; I224-C227 PolarHBondContact O-N 3.25Å; C227-L229 VanDerWaalsContact C-N 3.33Å; C227-L229 PolarHBondContact O-N 3.05Å; C227-Q230 PolarHBondContact O-N 3.35Å; C227-Q230 VanDerWaalsContact O-N 3.15Å; C227-L231 WeakPolarHBondContact O-CG 3.42Å; C227-L231 PolarHBondContact O-N 2.99Å |
| 228 | T | 97.8 | Very high | 95.4 | Very high | 53 Ų | 53 | 103.7 Ų | 103.7 | 33% | 0.325 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -58.4 | -43.3 | 175.9 | -59.2 | 0 | 0 | 0 | 0 | 111.7 | I224 S225 L231 R232 | I224-T228 VanDerWaalsContact O-CB 3.25Å; I224-T228 WeakPolarHBondContact O-CB 3.39Å; I224-T228 PolarHBondContact O-N 3.24Å; I224-T228 PolarHBondContact O-OG1 2.83Å; S225-T228 PolarHBondContact O-N 3.08Å; T228-L231 PolarHBondContact O-N 3.37Å; T228-R232 WeakPolarHBondContact O-CG 3.33Å; T228-R232 PolarHBondContact O-N 3.24Å |
| 229 | L | 96.4 | Very high | 94.8 | Very high | 98 Ų | 98 | 104.4 Ų | 104.4 | 51% | 0.513 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.4 | -43.8 | 175.1 | 179.7 | 61.6 | 0 | 0 | 0 | 111.7 | S225 K226 C227 R232 L233 | S225-L229 WeakPolarHBondContact O-CB 3.41Å; S225-L229 PolarHBondContact O-N 3.22Å; K226-L229 PolarHBondContact O-N 3.42Å; C227-L229 VanDerWaalsContact C-N 3.33Å; C227-L229 PolarHBondContact O-N 3.05Å; L229-R232 PolarHBondContact O-N 2.95Å; L229-L233 HydrophobicContact CD1-CD1 4.32Å; L229-L233 HydrophobicContact CD1-CG 4.29Å; L229-L233 HydrophobicContact CG-CD1 4.12Å; L229-L233 WeakPolarHBondContact O-CG 3.44Å; L229-L233 PolarHBondContact O-N 2.73Å |
| 230 | Q | 96.4 | Very high | 94.3 | Very high | 118 Ų | 118 | 102.2 Ų | 102.2 | 55% | 0.551 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.2 | -43.1 | 177.3 | -176.5 | 174.8 | -33.8 | 0 | 0 | 111.8 | K226 C227 L233 L234 | K226-Q230 WeakPolarHBondContact O-CB 3.3Å; K226-Q230 PolarHBondContact O-N 3.36Å; C227-Q230 PolarHBondContact O-N 3.35Å; C227-Q230 VanDerWaalsContact O-N 3.15Å; Q230-L233 PolarHBondContact O-N 2.96Å; Q230-L234 HydrophobicContact CG-CD1 4.14Å; Q230-L234 WeakPolarHBondContact O-CB 3.5Å; Q230-L234 VanDerWaalsContact O-CG 3.28Å; Q230-L234 WeakPolarHBondContact O-CG 3.3Å; Q230-L234 PolarHBondContact O-N 2.8Å |
| 231 | L | 95.1 | Very high | 93.7 | Very high | 100 Ų | 100 | 102.8 Ų | 102.8 | 52% | 0.524 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.4 | -41.5 | 175 | -70.8 | 172.9 | 0 | 0 | 0 | 112.2 | C227 T228 L234 T235 | C227-L231 WeakPolarHBondContact O-CG 3.42Å; C227-L231 PolarHBondContact O-N 2.99Å; T228-L231 PolarHBondContact O-N 3.37Å; L231-L234 PolarHBondContact O-N 2.9Å; L231-T235 WeakPolarHBondContact O-CB 3.2Å; L231-T235 WeakPolarHBondContact O-CG2 3.43Å; L231-T235 PolarHBondContact O-N 3.5Å; L231-T235 PolarHBondContact O-OG1 3.49Å |
| 232 | R | 93.5 | Very high | 93.2 | Very high | 140 Ų | 140 | 108 Ų | 108 | 53% | 0.528 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -61.1 | -51.2 | 173.7 | -75.4 | -179.8 | -168.5 | 161.7 | 5.6 | 111.8 | T228 L229 L234 T235 E236 | T228-R232 WeakPolarHBondContact O-CG 3.33Å; T228-R232 PolarHBondContact O-N 3.24Å; L229-R232 PolarHBondContact O-N 2.95Å; R232-L234 VanDerWaalsContact C-N 3.27Å; R232-L234 PolarHBondContact O-N 3.46Å; R232-T235 PolarHBondContact O-N 3.46Å; R232-T235 VanDerWaalsContact O-N 3.08Å; R232-T235 PolarHBondContact O-OG1 2.87Å; R232-E236 WeakPolarHBondContact CB-OE1 3.2Å; R232-E236 VanDerWaalsContact O-CB 3.27Å; R232-E236 WeakPolarHBondContact O-CB 3.5Å; R232-E236 WeakPolarHBondContact O-CG 3.24Å; R232-E236 PolarHBondContact O-N 3.09Å |
| 233 | L | 92.8 | Very high | 92.8 | Very high | 109 Ų | 109 | 107.1 Ų | 107.1 | 57% | 0.571 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -57.6 | -40.6 | 177.4 | -68.4 | 172.3 | 0 | 0 | 0 | 111.9 | L229 Q230 T235 E237 | L229-L233 HydrophobicContact CD1-CD1 4.32Å; L229-L233 HydrophobicContact CD1-CG 4.29Å; L229-L233 HydrophobicContact CG-CD1 4.12Å; L229-L233 WeakPolarHBondContact O-CG 3.44Å; L229-L233 PolarHBondContact O-N 2.73Å; Q230-L233 PolarHBondContact O-N 2.96Å; L233-T235 PolarHBondContact O-N 3.12Å; L233-E237 VanDerWaalsContact O-CB 3.29Å; L233-E237 WeakPolarHBondContact O-CB 3.18Å; L233-E237 PolarHBondContact O-N 3.43Å |
| 234 | L | 92 | Very high | 92.4 | Very high | 88 Ų | 88 | 105.3 Ų | 105.3 | 46% | 0.461 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -67 | -32.2 | 177.1 | -73.6 | 171.4 | 0 | 0 | 0 | 113.8 | Q230 L231 R232 N240 | Q230-L234 HydrophobicContact CG-CD1 4.14Å; Q230-L234 WeakPolarHBondContact O-CB 3.5Å; Q230-L234 VanDerWaalsContact O-CG 3.28Å; Q230-L234 WeakPolarHBondContact O-CG 3.3Å; Q230-L234 PolarHBondContact O-N 2.8Å; L231-L234 PolarHBondContact O-N 2.9Å; R232-L234 VanDerWaalsContact C-N 3.27Å; R232-L234 PolarHBondContact O-N 3.46Å; L234-N240 WeakPolarHBondContact O-CB 3.4Å; L234-N240 PolarHBondContact O-ND2 3.07Å; L234-N240 VanDerWaalsContact O-ND2 3.12Å |
| 235 | T | 89.7 | Confident | 92 | Very high | 85 Ų | 85 | 108.9 Ų | 108.9 | 52% | 0.521 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -96.6 | -31.2 | -173.8 | 50 | 0 | 0 | 0 | 0 | 114.2 | L231 R232 L233 N241 | L231-T235 WeakPolarHBondContact O-CB 3.2Å; L231-T235 WeakPolarHBondContact O-CG2 3.43Å; L231-T235 PolarHBondContact O-N 3.5Å; L231-T235 PolarHBondContact O-OG1 3.49Å; R232-T235 PolarHBondContact O-N 3.46Å; R232-T235 VanDerWaalsContact O-N 3.08Å; R232-T235 PolarHBondContact O-OG1 2.87Å; L233-T235 PolarHBondContact O-N 3.12Å; T235-N241 PolarHBondContact O-ND2 2.81Å |
| 236 | E | 89 | Confident | 91.6 | Very high | 136 Ų | 136 | 110 Ų | 110 | 64% | 0.636 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -81.4 | -21.8 | 178.5 | -65.8 | 174.7 | -157.9 | 0 | 0 | 112.4 | R232 | R232-E236 WeakPolarHBondContact CB-OE1 3.2Å; R232-E236 VanDerWaalsContact O-CB 3.27Å; R232-E236 WeakPolarHBondContact O-CB 3.5Å; R232-E236 WeakPolarHBondContact O-CG 3.24Å; R232-E236 PolarHBondContact O-N 3.09Å |
| 237 | E | 90.6 | Very high | 91.3 | Very high | 103 Ų | 103 | 110.2 Ų | 110.2 | 48% | 0.481 | 56% | 0.558 | S | S | . | * | S | Bend | trans | -64.3 | 120.7 | 176.7 | 178.9 | 121.3 | -106.3 | 0 | 0 | 111.1 | L233 Q239 N240 N241 | L233-E237 VanDerWaalsContact O-CB 3.29Å; L233-E237 WeakPolarHBondContact O-CB 3.18Å; L233-E237 PolarHBondContact O-N 3.43Å; E237-Q239 HydrophobicContact CG-CB 4.39Å; E237-Q239 PolarHBondContact O-N 2.94Å; E237-N240 HydrophobicContact CB-CB 4.4Å; E237-N240 PolarHBondContact O-N 3.05Å; E237-N240 VanDerWaalsContact O-N 3.07Å; E237-N241 PolarHBondContact O-N 3.33Å |
| 238 | P | 86.3 | Confident | 90.7 | Very high | 95 Ų | 95 | 109.7 Ų | 109.7 | 62% | 0.617 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -67.9 | -13.7 | -171.1 | 26.7 | -36.2 | 0 | 0 | 0 | 114.3 | R242 | P238-R242 WeakPolarHBondContact O-CD 3.46Å; P238-R242 WeakPolarHBondContact O-CG 3.39Å |
| 239 | Q | 85.7 | Confident | 90.1 | Very high | 149 Ų | 149 | 112.8 Ų | 112.8 | 70% | 0.696 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -77.6 | -46.5 | 171.9 | -59.8 | -166 | 15.1 | 0 | 0 | 111 | E237 R242 | E237-Q239 HydrophobicContact CG-CB 4.39Å; E237-Q239 PolarHBondContact O-N 2.94Å; Q239-R242 PolarHBondContact O-N 3.37Å |
| 240 | N | 87.2 | Confident | 89.7 | Confident | 56 Ų | 56 | 110.6 Ų | 110.6 | 30% | 0.299 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -70.1 | -38.1 | 179.6 | -63.4 | -12.7 | 0 | 0 | 0 | 111.8 | L234 E237 R242 L243 G244 | L234-N240 WeakPolarHBondContact O-CB 3.4Å; L234-N240 PolarHBondContact O-ND2 3.07Å; L234-N240 VanDerWaalsContact O-ND2 3.12Å; E237-N240 HydrophobicContact CB-CB 4.4Å; E237-N240 PolarHBondContact O-N 3.05Å; E237-N240 VanDerWaalsContact O-N 3.07Å; N240-R242 PolarHBondContact O-N 3.08Å; N240-R242 VanDerWaalsContact O-N 3.15Å; N240-L243 CarbonylContact O-C 3.57Å; N240-L243 WeakPolarHBondContact O-CA 3.49Å; N240-L243 PolarHBondContact O-N 3.4Å; N240-G244 PolarHBondContact O-N 3.1Å |
| 241 | N | 86.3 | Confident | 89.3 | Confident | 113 Ų | 113 | 106.9 Ų | 106.9 | 60% | 0.604 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -55.3 | -34.5 | 177 | -164.2 | -83.4 | 0 | 0 | 0 | 112.3 | T235 E237 L243 | T235-N241 PolarHBondContact O-ND2 2.81Å; E237-N241 PolarHBondContact O-N 3.33Å; N241-L243 VanDerWaalsContact C-N 3.3Å; N241-L243 PolarHBondContact O-N 3.09Å |
| 242 | R | 87.7 | Confident | 88.6 | Confident | 208 Ų | 208 | 105.1 Ų | 105.1 | 79% | 0.785 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | -13.6 | 176.1 | -64.6 | 176 | 70.4 | 147.6 | 5.4 | 114.3 | P238 Q239 N240 | P238-R242 WeakPolarHBondContact O-CD 3.46Å; P238-R242 WeakPolarHBondContact O-CG 3.39Å; Q239-R242 PolarHBondContact O-N 3.37Å; N240-R242 PolarHBondContact O-N 3.08Å; N240-R242 VanDerWaalsContact O-N 3.15Å |
| 243 | L | 90.1 | Very high | 88.1 | Confident | 123 Ų | 123 | 105.3 Ų | 105.3 | 64% | 0.644 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.6 | -9.9 | 178.7 | -61.2 | 176.4 | 0 | 0 | 0 | 112.4 | N240 N241 Y245 | N240-L243 CarbonylContact O-C 3.57Å; N240-L243 WeakPolarHBondContact O-CA 3.49Å; N240-L243 PolarHBondContact O-N 3.4Å; N241-L243 VanDerWaalsContact C-N 3.3Å; N241-L243 PolarHBondContact O-N 3.09Å; L243-Y245 PolarHBondContact O-N 3.25Å |
| 244 | G | 89.4 | Confident | 87.4 | Confident | 70 Ų | 70 | 103.9 Ų | 103.9 | 72% | 0.722 | 53% | 0.53 | S | S | * | . | trans | -73.6 | 64.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | N240 | N240-G244 PolarHBondContact O-N 3.1Š| ||
| 245 | Y | 91 | Very high | 86.8 | Confident | 160 Ų | 160 | 103.3 Ų | 103.3 | 63% | 0.627 | 52% | 0.524 | S | S | * | . | trans | -139.5 | 155.8 | 173.9 | 69.2 | -90.1 | 0 | 0 | 0 | 111.6 | L243 R247 | L243-Y245 PolarHBondContact O-N 3.25Å; Y245-R247 HydrophobicContact CD2-CG 4.4Å; Y245-R247 HydrophobicContact CE2-CG 4.07Å | ||
| 246 | V | 91.2 | Very high | 85.7 | Confident | 104 Ų | 104 | 107.8 Ų | 107.8 | 63% | 0.63 | 55% | 0.545 | S | S | * | . | trans | -117.6 | 145.5 | 170.7 | -78.2 | 0 | 0 | 0 | 0 | 109.4 | L251 | V246-L251 HydrophobicContact CG2-CD2 4.31Å; V246-L251 HydrophobicContact CG2-CG 4.47Å | ||
| 247 | R | 90.1 | Very high | 84.7 | Confident | 137 Ų | 137 | 103.9 Ų | 103.9 | 52% | 0.517 | 53% | 0.533 | S | S | . | . | trans | -90.9 | 154.1 | 179.2 | -51.9 | 169.3 | -67.2 | 179.3 | 2.7 | 109.8 | Y245 Q249 D250 L251 | Y245-R247 HydrophobicContact CD2-CG 4.4Å; Y245-R247 HydrophobicContact CE2-CG 4.07Å; R247-Q249 PolarHBondContact O-N 2.78Å; R247-Q249 VanDerWaalsContact O-N 3.16Å; R247-D250 WeakPolarHBondContact CA-OD2 3.46Å; R247-D250 WeakPolarHBondContact CB-OD2 3.47Å; R247-D250 WeakPolarHBondContact CG-OD2 3.44Å; R247-D250 IonicContact CZ-OD1 2.93Å; R247-D250 VanDerWaalsContact CZ-OD1 3.31Å; R247-D250 IonicContact CZ-OD2 3.57Å; R247-D250 PolarHBondContact N-OD2 3.24Å; R247-D250 IonicContact NE-OD1 3.31Å; R247-D250 PolarHBondContact NE-OD1 3.43Å; R247-D250 VanDerWaalsContact NE-OD1 3.16Å; R247-D250 IonicContact NE-OD2 3.71Å; R247-D250 PolarHBondContact NE-OD2 2.94Å; R247-D250 IonicContact NH2-OD1 2.66Å; R247-D250 PolarHBondContact NH2-OD1 3.37Å; R247-D250 IonicContact NH2-OD2 2.79Å; R247-D250 WeakPolarHBondContact O-CB 3.49Å; R247-D250 PolarHBondContact O-N 3.46Å; R247-L251 PolarHBondContact O-N 3.29Å; R247-L251 VanDerWaalsContact O-N 3.14Å | ||
| 248 | C | 85.6 | Confident | 83.6 | Confident | 59 Ų | 59 | 104 Ų | 104 | 40% | 0.399 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -58.7 | -28.8 | 174.7 | -57.3 | 0 | 0 | 0 | 0 | 112.9 | R252 | C248-R252 WeakPolarHBondContact O-CB 3.48Å; C248-R252 VanDerWaalsContact O-CG 3.26Å; C248-R252 WeakPolarHBondContact O-CG 3.41Å; C248-R252 PolarHBondContact O-N 2.74Å |
| 249 | Q | 86.1 | Confident | 83 | Confident | 118 Ų | 118 | 106.4 Ų | 106.4 | 55% | 0.551 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -67.1 | -38.8 | 173 | -174.1 | 174.8 | 29.8 | 0 | 0 | 112.4 | R247 R252 Q253 | R247-Q249 PolarHBondContact O-N 2.78Å; R247-Q249 VanDerWaalsContact O-N 3.16Å; Q249-R252 PolarHBondContact O-N 2.81Å; Q249-Q253 WeakPolarHBondContact O-CG 3.4Å; Q249-Q253 PolarHBondContact O-N 3.38Å |
| 250 | D | 88.4 | Confident | 82.8 | Confident | 51 Ų | 51 | 101.7 Ų | 101.7 | 27% | 0.273 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -68.2 | -40.9 | 179.7 | -49.2 | -40.2 | 0 | 0 | 0 | 109.8 | R247 Q253 | R247-D250 WeakPolarHBondContact CA-OD2 3.46Å; R247-D250 WeakPolarHBondContact CB-OD2 3.47Å; R247-D250 WeakPolarHBondContact CG-OD2 3.44Å; R247-D250 IonicContact CZ-OD1 2.93Å; R247-D250 VanDerWaalsContact CZ-OD1 3.31Å; R247-D250 IonicContact CZ-OD2 3.57Å; R247-D250 PolarHBondContact N-OD2 3.24Å; R247-D250 IonicContact NE-OD1 3.31Å; R247-D250 PolarHBondContact NE-OD1 3.43Å; R247-D250 VanDerWaalsContact NE-OD1 3.16Å; R247-D250 IonicContact NE-OD2 3.71Å; R247-D250 PolarHBondContact NE-OD2 2.94Å; R247-D250 IonicContact NH2-OD1 2.66Å; R247-D250 PolarHBondContact NH2-OD1 3.37Å; R247-D250 IonicContact NH2-OD2 2.79Å; R247-D250 WeakPolarHBondContact O-CB 3.49Å; R247-D250 PolarHBondContact O-N 3.46Å; D250-Q253 PolarHBondContact O-N 3.03Å |
| 251 | L | 87.1 | Confident | 82.7 | Confident | 41 Ų | 41 | 103.6 Ų | 103.6 | 22% | 0.215 | 54% | 0.538 | C | S | . | . | H | α-helix | trans | -64.3 | -40.3 | 173.2 | -64.9 | 174.1 | 0 | 0 | 0 | 112.6 | V246 R247 Q253 S254 F255 V264 | V246-L251 HydrophobicContact CG2-CD2 4.31Å; V246-L251 HydrophobicContact CG2-CG 4.47Å; R247-L251 PolarHBondContact O-N 3.29Å; R247-L251 VanDerWaalsContact O-N 3.14Å; L251-Q253 PolarHBondContact O-N 3.3Å; L251-S254 PolarHBondContact O-N 2.87Å; L251-S254 PolarHBondContact O-OG 2.92Å; L251-F255 WeakPolarHBondContact O-CD2 3.15Å; L251-F255 WeakPolarHBondContact O-CE2 3.23Å; L251-V264 HydrophobicContact CD1-CG2 3.8Å |
| 252 | R | 81.5 | Confident | 82.7 | Confident | 62 Ų | 62 | 99.2 Ų | 99.2 | 23% | 0.234 | 52% | 0.515 | C | S | . | . | H | α-helix | trans | -66.6 | -24.2 | 177.5 | -78.4 | 169.4 | 169.7 | -85 | -31.6 | 113.1 | C248 Q249 C298 P299 D301 | C248-R252 WeakPolarHBondContact O-CB 3.48Å; C248-R252 VanDerWaalsContact O-CG 3.26Å; C248-R252 WeakPolarHBondContact O-CG 3.41Å; C248-R252 PolarHBondContact O-N 2.74Å; Q249-R252 PolarHBondContact O-N 2.81Å; R252-C298 PolarHBondContact NH2-O 2.87Å; R252-P299 PolarHBondContact NE-O 3.19Å; R252-P299 VanDerWaalsContact NE-O 3.13Å; R252-P299 PolarHBondContact NH2-O 2.99Å; R252-P299 VanDerWaalsContact NH2-O 3.12Å; R252-D301 IonicContact CZ-OD2 2.9Å; R252-D301 IonicContact NE-OD2 3.2Å; R252-D301 IonicContact NH1-OD2 3.76Å; R252-D301 PolarHBondContact NH1-OD2 3.36Å |
| 253 | Q | 82.1 | Confident | 82.8 | Confident | 144 Ų | 144 | 93.8 Ų | 93.8 | 67% | 0.673 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.8 | -14.6 | 176.3 | -73.7 | 175 | 2.9 | 0 | 0 | 113.6 | Q249 D250 L251 | Q249-Q253 WeakPolarHBondContact O-CG 3.4Å; Q249-Q253 PolarHBondContact O-N 3.38Å; D250-Q253 PolarHBondContact O-N 3.03Å; L251-Q253 PolarHBondContact O-N 3.3Å |
| 254 | S | 79 | Confident | 82.9 | Confident | 79 Ų | 79 | 90.5 Ų | 90.5 | 55% | 0.552 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | -0.1 | 178.9 | 59.1 | 0 | 0 | 0 | 0 | 114.8 | L251 | L251-S254 PolarHBondContact O-N 2.87Å; L251-S254 PolarHBondContact O-OG 2.92Å |
| 255 | F | 78.9 | Confident | 83.1 | Confident | 76 Ų | 76 | 90.5 Ų | 90.5 | 33% | 0.333 | 47% | 0.471 | S | S | . | . | trans | -121.8 | 130.7 | 178.2 | -58.3 | -69.6 | 0 | 0 | 0 | 110.2 | L251 S257 V262 | L251-F255 WeakPolarHBondContact O-CD2 3.15Å; L251-F255 WeakPolarHBondContact O-CE2 3.23Å; F255-S257 VanDerWaalsContact C-N 3.33Å; F255-S257 PolarHBondContact O-N 3.21Å; F255-V262 HydrophobicContact CD2-CG2 3.82Å; F255-V262 HydrophobicContact CE2-CG1 4.29Å; F255-V262 HydrophobicContact CE2-CG2 3.92Å | ||
| 256 | D | 65.8 | Low | 83.3 | Confident | 179 Ų | 179 | 90 Ų | 90 | 96% | 0.957 | 47% | 0.468 | S | S | * | . | S | Bend | trans | -76.1 | -15.6 | -170.9 | -71.2 | -47.5 | 0 | 0 | 0 | 114.5 | ||
| 257 | S | 69 | Low | 83.5 | Confident | 55 Ų | 55 | 87.1 Ų | 87.1 | 39% | 0.385 | 46% | 0.455 | S | S | . | . | trans | -108.3 | 123 | -177.3 | 44.6 | 0 | 0 | 0 | 0 | 112.2 | F255 D259 Q260 | F255-S257 VanDerWaalsContact C-N 3.33Å; F255-S257 PolarHBondContact O-N 3.21Å; S257-D259 PolarHBondContact O-N 3.04Å; S257-Q260 PolarHBondContact O-N 3.45Å | ||
| 258 | P | 67.8 | Low | 83.8 | Confident | 105 Ų | 105 | 82 Ų | 82 | 68% | 0.682 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -18.7 | -178.7 | 29.5 | -35.8 | 0 | 0 | 0 | 113.6 | ||
| 259 | D | 73.8 | Confident | 84.1 | Confident | 146 Ų | 146 | 83.5 Ų | 83.5 | 78% | 0.781 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.1 | 8.4 | -176 | -55.9 | -31.2 | 0 | 0 | 0 | 112.8 | S257 | S257-D259 PolarHBondContact O-N 3.04Š|
| 260 | Q | 80.9 | Confident | 84.5 | Confident | 49 Ų | 49 | 85 Ų | 85 | 23% | 0.229 | 46% | 0.455 | C | S | . | . | trans | -83.8 | 127.3 | -179.7 | -166.9 | 174.2 | 29.4 | 0 | 0 | 112.5 | S26 S257 V262 | S26-Q260 PolarHBondContact OG-NE2 3.15Å; S257-Q260 PolarHBondContact O-N 3.45Å; Q260-V262 PolarHBondContact O-N 3.28Å | ||
| 261 | L | 84.6 | Confident | 84.9 | Confident | 97 Ų | 97 | 84.1 Ų | 84.1 | 51% | 0.508 | 45% | 0.452 | S | S | . | . | trans | -77.6 | 101.4 | -179.9 | -168.1 | 70.3 | 0 | 0 | 0 | 112.1 | I35 L297 | I35-L261 HydrophobicContact CD1-CD2 4.24Å; L261-L297 HydrophobicContact CD1-CD1 3.7Å; L261-L297 HydrophobicContact CD1-CD2 4.14Å; L261-L297 HydrophobicContact CD1-CG 4.16Å; L261-L297 HydrophobicContact CD2-CD1 4.24Å; L261-L297 HydrophobicContact CG-CD1 3.84Å | ||
| 262 | V | 87.3 | Confident | 85.2 | Confident | 21 Ų | 21 | 88 Ų | 88 | 13% | 0.127 | 47% | 0.469 | C | S | . | . | trans | -88 | 116.5 | 179.1 | -178.7 | 0 | 0 | 0 | 0 | 111.7 | F255 Q260 C298 | F255-V262 HydrophobicContact CD2-CG2 3.82Å; F255-V262 HydrophobicContact CE2-CG1 4.29Å; F255-V262 HydrophobicContact CE2-CG2 3.92Å; Q260-V262 PolarHBondContact O-N 3.28Å; V262-C298 HydrophobicContact CB-CB 4.08Å; V262-C298 HydrophobicContact CG1-CB 4.33Å; V262-C298 PolarHBondContact O-N 3.08Å | ||
| 263 | M | 89.9 | Confident | 85.8 | Confident | 93 Ų | 93 | 91 Ų | 91 | 46% | 0.458 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 128.8 | 170.7 | -65.4 | -169.7 | -64.8 | 0 | 0 | 111 | I35 F296 L297 | I35-M263 HydrophobicContact CD1-CE 4.45Å; M263-F296 CarbonylContact C-O 3.57Å; M263-F296 WeakPolarHBondContact CA-O 3.42Å; M263-L297 HydrophobicContact CG-CD1 3.73Å |
| 264 | V | 91.9 | Very high | 86.4 | Confident | 54 Ų | 54 | 90.1 Ų | 90.1 | 33% | 0.327 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 117.1 | 174.5 | -179.6 | 0 | 0 | 0 | 0 | 109.1 | L251 F296 | L251-V264 HydrophobicContact CD1-CG2 3.8Å; V264-F296 HydrophobicContact CB-CB 4.42Å; V264-F296 PolarHBondContact N-O 3.3Å; V264-F296 PolarHBondContact O-N 3.03Å |
| 265 | V | 94 | Very high | 87 | Confident | 70 Ų | 70 | 90.3 Ų | 90.3 | 42% | 0.424 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 123.8 | 178.1 | -179.5 | 0 | 0 | 0 | 0 | 109.5 | L286 I293 V295 | V265-L286 HydrophobicContact CG1-CD1 3.76Å; V265-L286 HydrophobicContact CG2-CD1 4.31Å; V265-I293 HydrophobicContact CG1-CG2 3.78Å; V265-V295 HydrophobicContact CG2-CG1 4.35Å; V265-V295 HydrophobicContact CG2-CG2 4.3Å |
| 266 | R | 93.7 | Very high | 87.6 | Confident | 150 Ų | 150 | 89.4 Ų | 89.4 | 57% | 0.566 | 48% | 0.482 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 110.5 | 169.4 | -179.1 | 179 | 72.4 | -175.1 | 4.9 | 109 | D294 F296 | R266-D294 HydrophobicContact CB-CB 4.34Å; R266-D294 IonicContact CZ-OD2 2.68Å; R266-D294 PolarHBondContact N-O 3.1Å; R266-D294 IonicContact NE-OD2 3.16Å; R266-D294 PolarHBondContact NE-OD2 2.93Å; R266-D294 IonicContact NH2-OD2 3.31Å; R266-D294 PolarHBondContact NH2-OD2 2.91Å; R266-D294 PolarHBondContact O-N 2.78Å; R266-F296 HydrophobicContact CB-CE2 4.35Å |
| 267 | A | 95.5 | Very high | 88.5 | Confident | 44 Ų | 44 | 87.3 Ų | 87.3 | 36% | 0.364 | 47% | 0.466 | S | S | . | . | trans | -119 | 151.9 | 179 | 0 | 0 | 0 | 0 | 0 | 111 | T271 I293 | A267-T271 HydrophobicContact CB-CG2 3.81Å; A267-I293 HydrophobicContact CB-CG1 4.13Å; A267-I293 HydrophobicContact CB-CG2 4.15Å | ||
| 268 | P | 95.9 | Very high | 89 | Confident | 29 Ų | 29 | 87.1 Ų | 87.1 | 19% | 0.188 | 46% | 0.464 | C | S | . | . | trans | -69.9 | 164 | 172.5 | 31 | -35.8 | 0 | 0 | 0 | 111.3 | T271 S288 Q290 P292 | P268-T271 WeakPolarHBondContact CD-OG1 3.5Å; P268-T271 WeakPolarHBondContact O-CB 3.42Å; P268-T271 PolarHBondContact O-N 3.04Å; P268-T271 PolarHBondContact O-OG1 3.31Å; P268-S288 WeakPolarHBondContact CG-OG 3.4Å; P268-Q290 HydrophobicContact CB-CB 4.23Å; P268-Q290 HydrophobicContact CG-CB 4.36Å; P268-P292 WeakPolarHBondContact CD-O 3.31Å | ||
| 269 | P | 93.4 | Very high | 89.5 | Confident | 91 Ų | 91 | 88.7 Ų | 88.7 | 59% | 0.591 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | 154.5 | 173.7 | -25.8 | 35.5 | 0 | 0 | 0 | 113 | T271 | P269-T271 PolarHBondContact O-N 3.18Š|
| 270 | E | 94 | Very high | 89.7 | Confident | 148 Ų | 148 | 90.6 Ų | 90.6 | 69% | 0.692 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60 | 18.4 | -176.3 | -46 | -52.9 | 131.9 | 0 | 0 | 115.3 | Q272 Q290 | E270-Q272 PolarHBondContact O-N 3.3Å; E270-Q290 VanDerWaalsContact CG-NE2 3.26Å |
| 271 | T | 95.8 | Very high | 89.8 | Confident | 34 Ų | 34 | 89.3 Ų | 89.3 | 21% | 0.209 | 48% | 0.481 | C | S | . | . | trans | -69.9 | 125.8 | 170.6 | -64.5 | 0 | 0 | 0 | 0 | 110.3 | A267 P268 P269 I293 | A267-T271 HydrophobicContact CB-CG2 3.81Å; P268-T271 WeakPolarHBondContact CD-OG1 3.5Å; P268-T271 WeakPolarHBondContact O-CB 3.42Å; P268-T271 PolarHBondContact O-N 3.04Å; P268-T271 PolarHBondContact O-OG1 3.31Å; P269-T271 PolarHBondContact O-N 3.18Å; T271-I293 HydrophobicContact CG2-CD1 4Å; T271-I293 HydrophobicContact CG2-CG1 4.47Å | ||
| 272 | Q | 95.1 | Very high | 90 | Very high | 122 Ų | 122 | 90 Ų | 90 | 57% | 0.57 | 48% | 0.477 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 128.2 | 176.9 | -63.6 | 177.4 | -13.3 | 0 | 0 | 109.8 | E270 L286 R287 | E270-Q272 PolarHBondContact O-N 3.3Å; Q272-L286 WeakPolarHBondContact O-CA 3.33Å; Q272-R287 HydrophobicContact CB-CB 4.43Å; Q272-R287 PolarHBondContact N-O 3.42Å; Q272-R287 PolarHBondContact O-N 3.4Å |
| 273 | M | 93.9 | Very high | 90.1 | Very high | 126 Ų | 126 | 93.8 Ų | 93.8 | 62% | 0.621 | 49% | 0.494 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 129.6 | 170.6 | 177.4 | 170.5 | 165.8 | 0 | 0 | 109 | V275 V284 S285 L286 | M273-V275 HydrophobicContact CE-CG2 3.7Å; M273-V284 HydrophobicContact CE-CG1 3.95Å; M273-V284 HydrophobicContact CG-CG1 4.29Å; M273-S285 WeakPolarHBondContact CA-O 3.45Å; M273-L286 HydrophobicContact CB-CD2 3.75Å; M273-L286 HydrophobicContact CG-CD2 3.74Å; M273-L286 HydrophobicContact SD-CD2 4.17Å |
| 274 | Q | 93.3 | Very high | 90.2 | Very high | 125 Ų | 125 | 93 Ų | 93 | 58% | 0.584 | 50% | 0.495 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 126.9 | 173.8 | -177.5 | 175.6 | 20.7 | 0 | 0 | 108.8 | S285 | Q274-S285 PolarHBondContact N-O 3.39Å; Q274-S285 PolarHBondContact O-N 3.16Å |
| 275 | V | 93.2 | Very high | 90.2 | Very high | 83 Ų | 83 | 93 Ų | 93 | 50% | 0.503 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 130.1 | 170.3 | -173.2 | 0 | 0 | 0 | 0 | 107.6 | M273 V284 | M273-V275 HydrophobicContact CE-CG2 3.7Å; V275-V284 HydrophobicContact CG2-CG2 4.3Å |
| 276 | T | 90.8 | Very high | 90.3 | Very high | 57 Ų | 57 | 92.5 Ų | 92.5 | 35% | 0.35 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 138.3 | 175 | -48.5 | 0 | 0 | 0 | 0 | 108 | P278 Q283 | T276-P278 WeakPolarHBondContact O-CD 3.38Å; T276-Q283 PolarHBondContact N-O 3.47Å; T276-Q283 PolarHBondContact O-N 3.31Å |
| 277 | E | 84.4 | Confident | 90.3 | Very high | 134 Ų | 134 | 93 Ų | 93 | 63% | 0.626 | 49% | 0.493 | S | S | * | . | trans | -107.3 | 78.6 | 170.4 | -174 | 174.4 | -155.2 | 0 | 0 | 108.9 | Y282 | E277-Y282 HydrophobicContact CB-CD1 3.92Å; E277-Y282 HydrophobicContact CB-CE1 3.82Å; E277-Y282 HydrophobicContact CG-CD1 3.88Å; E277-Y282 HydrophobicContact CG-CE1 3.46Å; E277-Y282 VanDerWaalsContact CG-CE1 3.46Å; E277-Y282 VanDerWaalsContact OE1-CE1 3.24Å; E277-Y282 WeakPolarHBondContact OE1-CE1 3.43Å; E277-Y282 PolarHBondContact OE1-OH 3Å | ||
| 278 | P | 80.6 | Confident | 90.3 | Very high | 52 Ų | 52 | 92.3 Ų | 92.3 | 34% | 0.338 | 49% | 0.486 | S | S | . | . | trans | -68.9 | 159.4 | 167.9 | 32.8 | -35 | 0 | 0 | 0 | 109.6 | T276 E280 G281 | T276-P278 WeakPolarHBondContact O-CD 3.38Å; P278-E280 PolarHBondContact O-N 3.29Å; P278-G281 WeakPolarHBondContact CD-O 3.4Å; P278-G281 WeakPolarHBondContact CG-O 3.33Å; P278-G281 PolarHBondContact O-N 3.22Å | ||
| 279 | S | 77.9 | Confident | 90.2 | Very high | 137 Ų | 137 | 96.3 Ų | 96.3 | 96% | 0.958 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -6.1 | 179.8 | -36.7 | 0 | 0 | 0 | 0 | 115.8 | ||
| 280 | E | 78.1 | Confident | 90.1 | Very high | 187 Ų | 187 | 97.6 Ų | 97.6 | 87% | 0.874 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.9 | 6.6 | -175.6 | -60.3 | -179.6 | 171.3 | 0 | 0 | 112.5 | P278 | P278-E280 PolarHBondContact O-N 3.29Š|
| 281 | G | 82.6 | Confident | 90.1 | Very high | 22 Ų | 22 | 92.2 Ų | 92.2 | 23% | 0.227 | 49% | 0.492 | C | S | . | . | trans | 116.1 | 157.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | P278 Q283 | P278-G281 WeakPolarHBondContact CD-O 3.4Å; P278-G281 WeakPolarHBondContact CG-O 3.33Å; P278-G281 PolarHBondContact O-N 3.22Å; G281-Q283 PolarHBondContact O-N 2.77Å | ||
| 282 | Y | 88.8 | Confident | 90.1 | Very high | 110 Ų | 110 | 95.6 Ų | 95.6 | 43% | 0.431 | 52% | 0.515 | S | S | . | . | trans | -58 | 134.4 | -172.3 | -61.8 | -75.6 | 0 | 0 | 0 | 114.2 | I27 E277 | I27-Y282 HydrophobicContact CG2-CD2 3.8Å; I27-Y282 HydrophobicContact CG2-CE2 4.13Å; E277-Y282 HydrophobicContact CB-CD1 3.92Å; E277-Y282 HydrophobicContact CB-CE1 3.82Å; E277-Y282 HydrophobicContact CG-CD1 3.88Å; E277-Y282 HydrophobicContact CG-CE1 3.46Å; E277-Y282 VanDerWaalsContact CG-CE1 3.46Å; E277-Y282 VanDerWaalsContact OE1-CE1 3.24Å; E277-Y282 WeakPolarHBondContact OE1-CE1 3.43Å; E277-Y282 PolarHBondContact OE1-OH 3Å | ||
| 283 | Q | 89.6 | Confident | 90.1 | Very high | 101 Ų | 101 | 92.1 Ų | 92.1 | 47% | 0.472 | 50% | 0.5 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 123.8 | 174.6 | -173.5 | -178.3 | 10.8 | 0 | 0 | 110.9 | T276 G281 | T276-Q283 PolarHBondContact N-O 3.47Å; T276-Q283 PolarHBondContact O-N 3.31Å; G281-Q283 PolarHBondContact O-N 2.77Å |
| 284 | V | 91.7 | Very high | 90.2 | Very high | 78 Ų | 78 | 88.9 Ų | 88.9 | 47% | 0.473 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 124.9 | 171.3 | -174.9 | 0 | 0 | 0 | 0 | 109.7 | M273 V275 L286 | M273-V284 HydrophobicContact CE-CG1 3.95Å; M273-V284 HydrophobicContact CG-CG1 4.29Å; V275-V284 HydrophobicContact CG2-CG2 4.3Å; V284-L286 HydrophobicContact CG1-CD2 4.47Å; V284-L286 HydrophobicContact CG1-CG 4.41Å |
| 285 | S | 92.5 | Very high | 90.2 | Very high | 54 Ų | 54 | 85.9 Ų | 85.9 | 38% | 0.378 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 129.2 | 177 | -176.5 | 0 | 0 | 0 | 0 | 109.9 | M273 Q274 | M273-S285 WeakPolarHBondContact CA-O 3.45Å; Q274-S285 PolarHBondContact N-O 3.39Å; Q274-S285 PolarHBondContact O-N 3.16Å |
| 286 | L | 94.9 | Very high | 90.1 | Very high | 59 Ų | 59 | 86.8 Ų | 86.8 | 31% | 0.309 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 127.2 | -179.2 | -63.2 | 169.6 | 0 | 0 | 0 | 109.9 | V265 Q272 M273 V284 I293 | V265-L286 HydrophobicContact CG1-CD1 3.76Å; V265-L286 HydrophobicContact CG2-CD1 4.31Å; Q272-L286 WeakPolarHBondContact O-CA 3.33Å; M273-L286 HydrophobicContact CB-CD2 3.75Å; M273-L286 HydrophobicContact CG-CD2 3.74Å; M273-L286 HydrophobicContact SD-CD2 4.17Å; V284-L286 HydrophobicContact CG1-CD2 4.47Å; V284-L286 HydrophobicContact CG1-CG 4.41Å; L286-I293 HydrophobicContact CB-CD1 3.91Å; L286-I293 HydrophobicContact CD1-CG2 4.46Å |
| 287 | R | 94.1 | Very high | 90.1 | Very high | 160 Ų | 160 | 89.1 Ų | 89.1 | 60% | 0.604 | 48% | 0.482 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 109.3 | -176.7 | -173.9 | -177.3 | -178.5 | -140.4 | 1.9 | 111.4 | Q272 | Q272-R287 HydrophobicContact CB-CB 4.43Å; Q272-R287 PolarHBondContact N-O 3.42Å; Q272-R287 PolarHBondContact O-N 3.4Å |
| 288 | S | 95.4 | Very high | 90.2 | Very high | 30 Ų | 30 | 83.1 Ų | 83.1 | 21% | 0.21 | 46% | 0.455 | C | S | . | . | trans | -100.7 | 146.3 | 173.4 | 166.1 | 0 | 0 | 0 | 0 | 111.1 | P268 Q290 G291 | P268-S288 WeakPolarHBondContact CG-OG 3.4Å; S288-Q290 PolarHBondContact OG-N 3.42Å; S288-G291 VanDerWaalsContact CB-O 3.31Å; S288-G291 WeakPolarHBondContact CB-O 3.42Å; S288-G291 PolarHBondContact OG-N 2.87Å; S288-G291 PolarHBondContact OG-O 3.21Å | ||
| 289 | T | 93.3 | Very high | 90.1 | Very high | 113 Ų | 113 | 84.2 Ų | 84.2 | 69% | 0.693 | 46% | 0.462 | S | S | * | . | S | Bend | trans | -113.1 | -10.2 | 167.5 | 55.2 | 0 | 0 | 0 | 0 | 113 | ||
| 290 | Q | 92.3 | Very high | 89.8 | Confident | 118 Ų | 118 | 82 Ų | 82 | 55% | 0.551 | 44% | 0.437 | S | S | * | . | S | Bend | trans | -108.8 | 0.5 | -170.7 | -58 | -162.9 | 23.4 | 0 | 0 | 114.3 | P268 E270 S288 | P268-Q290 HydrophobicContact CB-CB 4.23Å; P268-Q290 HydrophobicContact CG-CB 4.36Å; E270-Q290 VanDerWaalsContact CG-NE2 3.26Å; S288-Q290 PolarHBondContact OG-N 3.42Å |
| 291 | G | 93.2 | Very high | 88.9 | Confident | 34 Ų | 34 | 80.2 Ų | 80.2 | 35% | 0.351 | 43% | 0.433 | S | S | . | . | S | Bend | trans | 161.6 | 177.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | S288 | S288-G291 VanDerWaalsContact CB-O 3.31Å; S288-G291 WeakPolarHBondContact CB-O 3.42Å; S288-G291 PolarHBondContact OG-N 2.87Å; S288-G291 PolarHBondContact OG-O 3.21Å |
| 292 | P | 95.8 | Very high | 87.6 | Confident | 106 Ų | 106 | 83.5 Ų | 83.5 | 69% | 0.688 | 45% | 0.452 | S | S | * | . | trans | -65.1 | 157.8 | 172.5 | 30.6 | -35.5 | 0 | 0 | 0 | 111.3 | P268 | P268-P292 WeakPolarHBondContact CD-O 3.31Š| ||
| 293 | I | 96.3 | Very high | 85.6 | Confident | 49 Ų | 49 | 81.4 Ų | 81.4 | 25% | 0.251 | 45% | 0.454 | S | S | . | . | trans | -108.5 | 126.1 | 171.9 | -61.1 | 160.7 | 0 | 0 | 0 | 106.8 | V265 A267 T271 L286 V295 | V265-I293 HydrophobicContact CG1-CG2 3.78Å; A267-I293 HydrophobicContact CB-CG1 4.13Å; A267-I293 HydrophobicContact CB-CG2 4.15Å; T271-I293 HydrophobicContact CG2-CD1 4Å; T271-I293 HydrophobicContact CG2-CG1 4.47Å; L286-I293 HydrophobicContact CB-CD1 3.91Å; L286-I293 HydrophobicContact CD1-CG2 4.46Å; I293-V295 HydrophobicContact CG2-CG2 4.32Å | ||
| 294 | D | 95.1 | Very high | 83.6 | Confident | 57 Ų | 57 | 80.8 Ų | 80.8 | 31% | 0.305 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 136 | 175.5 | -52.7 | -64.7 | 0 | 0 | 0 | 109.7 | R266 F296 | R266-D294 HydrophobicContact CB-CB 4.34Å; R266-D294 IonicContact CZ-OD2 2.68Å; R266-D294 PolarHBondContact N-O 3.1Å; R266-D294 IonicContact NE-OD2 3.16Å; R266-D294 PolarHBondContact NE-OD2 2.93Å; R266-D294 IonicContact NH2-OD2 3.31Å; R266-D294 PolarHBondContact NH2-OD2 2.91Å; R266-D294 PolarHBondContact O-N 2.78Å; D294-F296 HydrophobicContact CB-CE2 3.59Å; D294-F296 HydrophobicContact CB-CZ 3.65Å |
| 295 | V | 94.4 | Very high | 81.4 | Confident | 63 Ų | 63 | 82.9 Ų | 82.9 | 38% | 0.382 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 127.9 | 177 | -174.8 | 0 | 0 | 0 | 0 | 108.8 | V265 I293 | V265-V295 HydrophobicContact CG2-CG1 4.35Å; V265-V295 HydrophobicContact CG2-CG2 4.3Å; I293-V295 HydrophobicContact CG2-CG2 4.32Å |
| 296 | F | 90.8 | Very high | 78.7 | Confident | 101 Ų | 101 | 85.9 Ų | 85.9 | 44% | 0.443 | 51% | 0.507 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 141.8 | -178.3 | -52.7 | -83 | 0 | 0 | 0 | 110.2 | M263 V264 R266 D294 | M263-F296 CarbonylContact C-O 3.57Å; M263-F296 WeakPolarHBondContact CA-O 3.42Å; V264-F296 HydrophobicContact CB-CB 4.42Å; V264-F296 PolarHBondContact N-O 3.3Å; V264-F296 PolarHBondContact O-N 3.03Å; R266-F296 HydrophobicContact CB-CE2 4.35Å; D294-F296 HydrophobicContact CB-CE2 3.59Å; D294-F296 HydrophobicContact CB-CZ 3.65Å |
| 297 | L | 90.6 | Very high | 76.1 | Confident | 106 Ų | 106 | 87.6 Ų | 87.6 | 56% | 0.555 | 52% | 0.524 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 128.2 | 173.2 | -159.3 | 68.4 | 0 | 0 | 0 | 108.8 | L261 M263 P299 | L261-L297 HydrophobicContact CD1-CD1 3.7Å; L261-L297 HydrophobicContact CD1-CD2 4.14Å; L261-L297 HydrophobicContact CD1-CG 4.16Å; L261-L297 HydrophobicContact CD2-CD1 4.24Å; L261-L297 HydrophobicContact CG-CD1 3.84Å; M263-L297 HydrophobicContact CG-CD1 3.73Å; L297-P299 WeakPolarHBondContact O-CD 3.43Å |
| 298 | C | 85.6 | Confident | 74 | Confident | 9 Ų | 9 | 86 Ų | 86 | 6% | 0.061 | 53% | 0.534 | C | S | . | . | trans | -74.5 | 112.3 | 176.9 | -75.8 | 0 | 0 | 0 | 0 | 110.1 | R252 V262 | R252-C298 PolarHBondContact NH2-O 2.87Å; V262-C298 HydrophobicContact CB-CB 4.08Å; V262-C298 HydrophobicContact CG1-CB 4.33Å; V262-C298 PolarHBondContact O-N 3.08Å | ||
| 299 | P | 78.3 | Confident | 71.4 | Confident | 74 Ų | 74 | 90.8 Ų | 90.8 | 48% | 0.481 | 56% | 0.562 | S | S | . | * | trans | -63.7 | 138.7 | -170.8 | 27.5 | -35.7 | 0 | 0 | 0 | 111.5 | R252 L297 | R252-P299 PolarHBondContact NE-O 3.19Å; R252-P299 VanDerWaalsContact NE-O 3.13Å; R252-P299 PolarHBondContact NH2-O 2.99Å; R252-P299 VanDerWaalsContact NH2-O 3.12Å; L297-P299 WeakPolarHBondContact O-CD 3.43Å | ||
| 300 | E | 72.4 | Confident | 68.8 | Low | 92 Ų | 92 | 94.2 Ų | 94.2 | 43% | 0.43 | 57% | 0.572 | S | S | . | * | trans | -72.4 | 136.5 | 172.9 | -72.7 | 175.6 | -163.2 | 0 | 0 | 112.2 | S302 S303 | E300-S302 VanDerWaalsContact CB-OG 3.3Å; E300-S302 WeakPolarHBondContact CB-OG 3.27Å; E300-S302 PolarHBondContact O-N 3.48Å; E300-S302 PolarHBondContact OE2-OG 3.13Å; E300-S303 PolarHBondContact O-N 3.01Å | ||
| 301 | D | 60.4 | Low | 66.2 | Low | 148 Ų | 148 | 92.4 Ų | 92.4 | 79% | 0.791 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.2 | -4.7 | 173.8 | -55.9 | -81.9 | 0 | 0 | 0 | 113.6 | R252 | R252-D301 IonicContact CZ-OD2 2.9Å; R252-D301 IonicContact NE-OD2 3.2Å; R252-D301 IonicContact NH1-OD2 3.76Å; R252-D301 PolarHBondContact NH1-OD2 3.36Å |
| 302 | S | 54.4 | Low | 63.2 | Low | 91 Ų | 91 | 94.4 Ų | 94.4 | 64% | 0.636 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82 | -24.5 | 177.9 | 68.4 | 0 | 0 | 0 | 0 | 114.3 | E300 | E300-S302 VanDerWaalsContact CB-OG 3.3Å; E300-S302 WeakPolarHBondContact CB-OG 3.27Å; E300-S302 PolarHBondContact O-N 3.48Å; E300-S302 PolarHBondContact OE2-OG 3.13Å |
| 303 | S | 47.7 | Very low | 60.2 | Low | 67 Ų | 67 | 94.7 Ų | 94.7 | 47% | 0.469 | 61% | 0.61 | S | S | . | * | trans | -122.3 | 96 | -165.3 | 67.1 | 0 | 0 | 0 | 0 | 114.4 | E300 V305 | E300-S303 PolarHBondContact O-N 3.01Å; S303-V305 PolarHBondContact O-N 3.41Å | ||
| 304 | G | 46.4 | Very low | 57.2 | Low | 88 Ų | 88 | 99 Ų | 99 | 91% | 0.907 | 64% | 0.641 | S | S | * | * | trans | -71.2 | 37 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 305 | V | 44.8 | Very low | 54.2 | Low | 122 Ų | 122 | 101.8 Ų | 101.8 | 74% | 0.739 | 67% | 0.665 | S | S | * | * | trans | -135.5 | 75.3 | -174.3 | -169.3 | 0 | 0 | 0 | 0 | 111.4 | S303 | S303-V305 PolarHBondContact O-N 3.41Š| ||
| 306 | C | 37.2 | Very low | 51.1 | Low | 117 Ų | 117 | 107.9 Ų | 107.9 | 79% | 0.791 | 69% | 0.69 | S | S | * | * | trans | -96.1 | 102.9 | 162.4 | -64.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 307 | S | 38.8 | Very low | 48.2 | Very low | 94 Ų | 94 | 108.4 Ų | 108.4 | 66% | 0.657 | 71% | 0.706 | S | S | * | * | trans | -144.8 | 110.7 | 166.7 | -170 | 0 | 0 | 0 | 0 | 109.8 | V309 | S307-V309 PolarHBondContact O-N 3.21Å; S307-V309 VanDerWaalsContact O-N 3.17Å | ||
| 308 | P | 51.3 | Low | 45.1 | Very low | 126 Ų | 126 | 110.6 Ų | 110.6 | 82% | 0.818 | 72% | 0.718 | S | S | * | * | trans | -77.4 | 102.9 | 179.6 | 30.2 | -32.1 | 0 | 0 | 0 | 110.1 | M310 | P308-M310 PolarHBondContact O-N 2.77Å; P308-M310 VanDerWaalsContact O-N 3.12Å | ||
| 309 | V | 39.7 | Very low | 42.4 | Very low | 132 Ų | 132 | 114.7 Ų | 114.7 | 80% | 0.8 | 75% | 0.747 | S | S | * | * | trans | -75.3 | 98.3 | 165.3 | 172.2 | 0 | 0 | 0 | 0 | 108.4 | S307 | S307-V309 PolarHBondContact O-N 3.21Å; S307-V309 VanDerWaalsContact O-N 3.17Å | ||
| 310 | M | 40.4 | Very low | 40.1 | Very low | 185 Ų | 185 | 119.5 Ų | 119.5 | 91% | 0.911 | 76% | 0.763 | S | S | * | * | trans | -70 | 135.6 | 164.5 | -155.3 | 174.4 | -150.5 | 0 | 0 | 108.9 | P308 | P308-M310 PolarHBondContact O-N 2.77Å; P308-M310 VanDerWaalsContact O-N 3.12Å | ||
| 311 | G | 36.1 | Very low | 37.9 | Very low | 79 Ų | 79 | 123.7 Ų | 123.7 | 81% | 0.814 | 78% | 0.782 | S | S | * | * | trans | -65.5 | 143.8 | -162.1 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 312 | G | 30.9 | Very low | 36.2 | Very low | 76 Ų | 76 | 127.9 Ų | 127.9 | 78% | 0.784 | 79% | 0.787 | S | S | * | * | trans | -134.6 | 123.8 | 163.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 313 | S | 31.7 | Very low | 35.4 | Very low | 113 Ų | 113 | 128.7 Ų | 128.7 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | trans | -63.1 | 150.5 | -175.9 | -54 | 0 | 0 | 0 | 0 | 113.2 | S315 | S313-S315 PolarHBondContact O-N 2.94Å; S313-S315 VanDerWaalsContact O-N 3.17Å | ||
| 314 | P | 34.2 | Very low | 34.5 | Very low | 139 Ų | 139 | 132.7 Ų | 132.7 | 90% | 0.903 | 81% | 0.811 | S | S | * | * | trans | -73.7 | 110 | -178.9 | 29.7 | -34 | 0 | 0 | 0 | 111.4 | ||||
| 315 | S | 31.5 | Very low | 33.6 | Very low | 115 Ų | 115 | 133.6 Ų | 133.6 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | trans | -104 | 158.2 | 164.5 | 58.4 | 0 | 0 | 0 | 0 | 110.9 | S313 | S313-S315 PolarHBondContact O-N 2.94Å; S313-S315 VanDerWaalsContact O-N 3.17Å | ||
| 316 | Q | 30.4 | Very low | 33.2 | Very low | 192 Ų | 192 | 133.4 Ų | 133.4 | 90% | 0.897 | 81% | 0.805 | S | S | * | * | trans | -70.5 | 145.8 | -155.7 | -70.3 | 167 | -24.9 | 0 | 0 | 115.5 | ||||
| 317 | S | 28.6 | Very low | 32.7 | Very low | 112 Ų | 112 | 136.6 Ų | 136.6 | 78% | 0.783 | 81% | 0.808 | S | S | * | * | trans | -27.1 | 134.1 | 164.4 | 53.9 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 318 | N | 26.7 | Very low | 32 | Very low | 152 Ų | 152 | 137.3 Ų | 137.3 | 81% | 0.813 | 81% | 0.812 | S | S | * | * | -159 | 146.3 | 128.3 | -134.7 | -5.8 | 0 | 0 | 0 | 113.8 | |||||
| 319 | S | 29.2 | Very low | 30.8 | Very low | 95 Ų | 95 | 138.7 Ų | 138.7 | 66% | 0.664 | 81% | 0.812 | S | S | * | * | trans | 60.4 | 115.4 | 164.6 | -46.1 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 320 | Q | 29.8 | Very low | 30.4 | Very low | 175 Ų | 175 | 139.4 Ų | 139.4 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | 51.1 | 122.2 | 78 | -76 | -176.9 | -40.5 | 0 | 0 | 112.8 | |||||
| 321 | E | 26.6 | Very low | 29.8 | Very low | 179 Ų | 179 | 140.1 Ų | 140.1 | 84% | 0.836 | 81% | 0.809 | S | S | * | * | cis | -155 | 173.1 | 28.9 | -106.6 | 161.1 | -169 | 0 | 0 | 114 | ||||
| 322 | R | 24.1 | Very low | 29.4 | Very low | 237 Ų | 237 | 142.8 Ų | 142.8 | 89% | 0.894 | 81% | 0.81 | S | S | * | * | trans | -128.2 | 174.3 | 168.9 | -113.3 | -163.3 | 179.9 | -175.2 | 1.7 | 107.2 | ||||
| 323 | P | 38.4 | Very low | 29.3 | Very low | 107 Ų | 107 | 147.6 Ų | 147.6 | 70% | 0.695 | 82% | 0.817 | S | S | * | * | cis | -135 | 153.8 | -43.7 | 36.6 | -20.5 | 0 | 0 | 0 | 113 | ||||
| 324 | V | 27.1 | Very low | 29.1 | Very low | 152 Ų | 152 | 145.9 Ų | 145.9 | 92% | 0.921 | 81% | 0.809 | S | S | * | * | trans | -148.3 | 132.5 | 159.3 | -154.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 325 | S | 28.6 | Very low | 28.8 | Very low | 106 Ų | 106 | 144.1 Ų | 144.1 | 74% | 0.741 | 80% | 0.8 | S | S | * | * | trans | -75.7 | 165.1 | 169.8 | -46.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 326 | P | 36.5 | Very low | 28.5 | Very low | 119 Ų | 119 | 148.3 Ų | 148.3 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | -148.9 | 144 | 95.9 | 36.3 | -19.1 | 0 | 0 | 0 | 117.2 | |||||
| 327 | Q | 26.4 | Very low | 28.4 | Very low | 184 Ų | 184 | 144.7 Ų | 144.7 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | trans | 34.3 | 118.5 | 135.2 | -58.4 | -178.1 | -2.6 | 0 | 0 | 122 | ||||
| 328 | C | 23.6 | Very low | 28.4 | Very low | 108 Ų | 108 | 146 Ų | 146 | 73% | 0.73 | 80% | 0.798 | S | S | * | * | 66.1 | 123.2 | 123 | -161.2 | 0 | 0 | 0 | 0 | 121 | |||||
| 329 | L | 27.3 | Very low | 28.2 | Very low | 156 Ų | 156 | 141.8 Ų | 141.8 | 82% | 0.817 | 79% | 0.79 | S | S | * | * | trans | -163.3 | 109.5 | 130.7 | -112.5 | 156.7 | 0 | 0 | 0 | 112.5 | ||||
| 330 | N | 29.8 | Very low | 28.1 | Very low | 147 Ų | 147 | 143.5 Ų | 143.5 | 79% | 0.786 | 80% | 0.801 | S | S | * | * | trans | -68.7 | 134.8 | 166.2 | -72.9 | -17.8 | 0 | 0 | 0 | 110.4 | ||||
| 331 | K | 28.6 | Very low | 28.2 | Very low | 199 Ų | 199 | 141 Ų | 141 | 87% | 0.865 | 80% | 0.797 | S | S | * | * | trans | -140.2 | 112.2 | 155.3 | -79.8 | -167 | 177.3 | 177.1 | 0 | 111.7 | ||||
| 332 | T | 28.2 | Very low | 28.3 | Very low | 135 Ų | 135 | 138.6 Ų | 138.6 | 83% | 0.828 | 80% | 0.797 | S | S | * | * | trans | -98.2 | 127.2 | 163.4 | -53.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 333 | L | 28.4 | Very low | 28.6 | Very low | 178 Ų | 178 | 131.3 Ų | 131.3 | 93% | 0.932 | 79% | 0.788 | S | S | * | * | trans | -158.1 | 162 | 140.6 | -139.2 | 124.3 | 0 | 0 | 0 | 111.1 | ||||
| 334 | A | 27.5 | Very low | 28.7 | Very low | 76 Ų | 76 | 131.5 Ų | 131.5 | 63% | 0.628 | 79% | 0.789 | S | S | * | * | trans | -106.4 | 168.2 | -155.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 335 | S | 27.3 | Very low | 28.9 | Very low | 103 Ų | 103 | 131.8 Ų | 131.8 | 72% | 0.72 | 79% | 0.785 | S | S | * | * | trans | 60 | 111.5 | 139.9 | -166.7 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 336 | F | 26.3 | Very low | 28.8 | Very low | 202 Ų | 202 | 134.3 Ų | 134.3 | 89% | 0.886 | 79% | 0.789 | S | S | * | * | trans | -165 | 151.5 | 153.4 | -73.1 | -63.4 | 0 | 0 | 0 | 109.5 | ||||
| 337 | V | 27 | Very low | 28.3 | Very low | 116 Ų | 116 | 133.6 Ų | 133.6 | 70% | 0.703 | 79% | 0.787 | S | S | * | * | cis | -164.7 | 135 | -34.8 | 101.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 338 | V | 28.2 | Very low | 28.3 | Very low | 139 Ų | 139 | 132.3 Ų | 132.3 | 84% | 0.842 | 79% | 0.785 | S | S | * | * | trans | 63.2 | 143.9 | 164.5 | 177.4 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 339 | G | 24.2 | Very low | 28.4 | Very low | 64 Ų | 64 | 131.7 Ų | 131.7 | 66% | 0.66 | 78% | 0.782 | S | S | * | * | cis | 129.5 | 117.1 | 0.9 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 340 | C | 26.2 | Very low | 28.3 | Very low | 131 Ų | 131 | 129.4 Ų | 129.4 | 89% | 0.885 | 78% | 0.779 | S | S | * | * | trans | -161.4 | 134 | 162.9 | -126.6 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 341 | V | 31.3 | Very low | 28.4 | Very low | 122 Ų | 122 | 128.9 Ų | 128.9 | 74% | 0.739 | 78% | 0.781 | S | S | * | * | trans | -33.4 | 150.9 | 175.7 | -152.1 | 0 | 0 | 0 | 0 | 119.1 | A343 | V341-A343 HydrophobicContact CG1-CB 4.28Š| ||
| 342 | P | 29.8 | Very low | 28.5 | Very low | 129 Ų | 129 | 127.7 Ų | 127.7 | 84% | 0.838 | 78% | 0.779 | S | S | * | * | trans | -123.1 | 136.5 | 137.6 | 36.5 | -27.6 | 0 | 0 | 0 | 113.1 | ||||
| 343 | A | 30.8 | Very low | 28.4 | Very low | 84 Ų | 84 | 125.4 Ų | 125.4 | 69% | 0.694 | 77% | 0.769 | S | S | * | * | trans | -158.8 | 165.4 | 174 | 0 | 0 | 0 | 0 | 0 | 109.7 | V341 | V341-A343 HydrophobicContact CG1-CB 4.28Š| ||
| 344 | P | 40.4 | Very low | 28.5 | Very low | 111 Ų | 111 | 124.6 Ų | 124.6 | 72% | 0.721 | 76% | 0.764 | S | S | * | * | -138.4 | 167.4 | -83.2 | 38.1 | -20.7 | 0 | 0 | 0 | 116.3 | |||||
| 345 | L | 31.1 | Very low | 28.8 | Very low | 158 Ų | 158 | 129.1 Ų | 129.1 | 83% | 0.827 | 78% | 0.777 | S | S | * | * | trans | 68.6 | 172.5 | 145.7 | -95.3 | 165 | 0 | 0 | 0 | 122.2 | ||||
| 346 | L | 26.3 | Very low | 28.7 | Very low | 159 Ų | 159 | 128.3 Ų | 128.3 | 83% | 0.832 | 79% | 0.785 | S | S | * | * | trans | 85.4 | 116.8 | 179.1 | -48.2 | -179 | 0 | 0 | 0 | 114.9 | ||||
| 347 | S | 24.7 | Very low | 28.8 | Very low | 105 Ų | 105 | 122.2 Ų | 122.2 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | cis | 89.7 | 139.2 | 19.3 | -160.2 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 348 | L | 27.3 | Very low | 28.9 | Very low | 156 Ų | 156 | 123.8 Ų | 123.8 | 82% | 0.817 | 78% | 0.784 | S | S | * | * | trans | 75.7 | 143.6 | 175.7 | -132.4 | 61.5 | 0 | 0 | 0 | 115.2 | ||||
| 349 | S | 24.7 | Very low | 29.4 | Very low | 96 Ų | 96 | 125 Ų | 125 | 67% | 0.671 | 78% | 0.784 | S | S | * | * | cis | -155.1 | 140.3 | 8.5 | -6.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 350 | S | 26.7 | Very low | 30 | Very low | 108 Ų | 108 | 131.7 Ų | 131.7 | 76% | 0.755 | 80% | 0.796 | S | S | * | * | 75.5 | 102.4 | 85.4 | -49.8 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 351 | T | 31.2 | Very low | 30.4 | Very low | 135 Ų | 135 | 130.8 Ų | 130.8 | 83% | 0.828 | 79% | 0.791 | S | S | * | * | trans | -179.1 | 114.9 | 138.9 | 40.2 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 352 | E | 29.9 | Very low | 30.6 | Very low | 174 Ų | 174 | 130.2 Ų | 130.2 | 81% | 0.813 | 79% | 0.792 | S | S | * | * | 53.3 | 128.5 | 73 | -65.7 | -80.3 | 113.9 | 0 | 0 | 112.6 | |||||
| 353 | S | 27.3 | Very low | 30.9 | Very low | 88 Ų | 88 | 132.4 Ų | 132.4 | 62% | 0.615 | 80% | 0.796 | S | S | * | * | cis | -171.1 | 178.5 | 2.1 | 49.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 354 | L | 29.7 | Very low | 30.8 | Very low | 161 Ų | 161 | 131.9 Ų | 131.9 | 84% | 0.843 | 80% | 0.799 | S | S | * | * | trans | 77.3 | 122.3 | 179.1 | -54 | 161.9 | 0 | 0 | 0 | 115 | ||||
| 355 | L | 33.5 | Very low | 30.3 | Very low | 171 Ų | 171 | 133.9 Ų | 133.9 | 90% | 0.895 | 80% | 0.804 | S | S | * | * | cis | -126.7 | 149.3 | 22.4 | -65.6 | 163.4 | 0 | 0 | 0 | 112 | ||||
| 356 | G | 26.1 | Very low | 30.3 | Very low | 86 Ų | 86 | 134.7 Ų | 134.7 | 89% | 0.887 | 81% | 0.807 | S | S | * | * | trans | -101 | 161 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 357 | G | 28.7 | Very low | 30.6 | Very low | 74 Ų | 74 | 131.5 Ų | 131.5 | 76% | 0.763 | 80% | 0.798 | S | S | * | * | trans | 162.3 | 75.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 358 | D | 29.8 | Very low | 31.1 | Very low | 149 Ų | 149 | 135.3 Ų | 135.3 | 80% | 0.797 | 80% | 0.804 | S | S | * | * | trans | -70 | 139.9 | 179.9 | -74.3 | -55.2 | 0 | 0 | 0 | 113.5 | ||||
| 359 | L | 37.7 | Very low | 31.3 | Very low | 163 Ų | 163 | 137.5 Ų | 137.5 | 85% | 0.853 | 81% | 0.807 | S | S | * | * | trans | -129.4 | 1.1 | 169.2 | -87.6 | 171.4 | 0 | 0 | 0 | 114.3 | ||||
| 360 | F | 36.4 | Very low | 31.7 | Very low | 205 Ų | 205 | 140 Ų | 140 | 90% | 0.899 | 81% | 0.813 | S | S | * | * | trans | -112.7 | 29.2 | -170.7 | -85 | -79.5 | 0 | 0 | 0 | 115.4 | S362 | F360-S362 VanDerWaalsContact C-N 3.3Å; F360-S362 PolarHBondContact O-N 2.63Å | ||
| 361 | S | 34 | Very low | 31.9 | Very low | 113 Ų | 113 | 142.8 Ų | 142.8 | 79% | 0.79 | 82% | 0.818 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.7 | 10.6 | 178.2 | -48 | 0 | 0 | 0 | 0 | 115.3 | ||
| 362 | S | 35.4 | Very low | 32 | Very low | 109 Ų | 109 | 140.8 Ų | 140.8 | 76% | 0.762 | 81% | 0.81 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.3 | 3.7 | -167.5 | -164 | 0 | 0 | 0 | 0 | 116.7 | F360 | F360-S362 VanDerWaalsContact C-N 3.3Å; F360-S362 PolarHBondContact O-N 2.63Å |
| 363 | L | 36.5 | Very low | 32.2 | Very low | 175 Ų | 175 | 138.7 Ų | 138.7 | 92% | 0.916 | 81% | 0.811 | S | S | * | * | trans | -142.1 | 55.9 | 177.5 | -146.2 | 72.9 | 0 | 0 | 0 | 113.3 | ||||
| 364 | G | 29.1 | Very low | 32.6 | Very low | 73 Ų | 73 | 142.8 Ų | 142.8 | 75% | 0.753 | 83% | 0.825 | S | S | * | * | trans | -92.1 | 139.5 | 158.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 365 | D | 30.2 | Very low | 32.6 | Very low | 154 Ų | 154 | 140.6 Ų | 140.6 | 82% | 0.824 | 82% | 0.823 | S | S | * | * | trans | 83.4 | 84.2 | 160.6 | -151.2 | 26.6 | 0 | 0 | 0 | 119.1 | ||||
| 366 | I | 32.1 | Very low | 32.8 | Very low | 175 Ų | 175 | 137.9 Ų | 137.9 | 90% | 0.897 | 82% | 0.819 | S | S | * | * | -138.6 | 133.9 | 124.1 | 45.2 | 171.5 | 0 | 0 | 0 | 109.6 | |||||
| 367 | S | 31.9 | Very low | 33.4 | Very low | 92 Ų | 92 | 138.9 Ų | 138.9 | 64% | 0.643 | 81% | 0.812 | S | S | * | * | trans | -85.6 | 147.5 | -174 | 57.9 | 0 | 0 | 0 | 0 | 114 | ||||
| 368 | H | 35.9 | Very low | 33.8 | Very low | 184 Ų | 184 | 143.3 Ų | 143.3 | 85% | 0.852 | 82% | 0.818 | S | S | * | * | trans | 33.8 | 104.7 | 150.5 | -91.2 | -89.6 | 0 | 0 | 0 | 118 | ||||
| 369 | F | 30.4 | Very low | 34.2 | Very low | 202 Ų | 202 | 144.3 Ų | 144.3 | 89% | 0.886 | 82% | 0.823 | S | S | * | * | trans | -131.7 | 132.8 | 148 | -94.5 | -83 | 0 | 0 | 0 | 111.4 | ||||
| 370 | D | 32.6 | Very low | 34.4 | Very low | 149 Ų | 149 | 145.1 Ų | 145.1 | 80% | 0.797 | 83% | 0.827 | S | S | * | * | trans | -89.8 | 133.7 | -176.6 | -164.4 | 3.5 | 0 | 0 | 0 | 109.1 | ||||
| 371 | L | 30.6 | Very low | 34.3 | Very low | 167 Ų | 167 | 143.6 Ų | 143.6 | 87% | 0.874 | 83% | 0.828 | S | S | * | * | trans | -101.7 | 96.5 | -174.6 | -70.2 | 179.8 | 0 | 0 | 0 | 111 | ||||
| 372 | S | 34.1 | Very low | 34.2 | Very low | 92 Ų | 92 | 141.6 Ų | 141.6 | 64% | 0.643 | 83% | 0.826 | S | S | * | * | trans | -115.7 | 142.7 | 158.8 | -71.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 373 | P | 35 | Very low | 34.1 | Very low | 130 Ų | 130 | 145.6 Ų | 145.6 | 84% | 0.844 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 129 | -171.5 | 30.2 | -34.4 | 0 | 0 | 0 | 111.2 | ||
| 374 | L | 34.2 | Very low | 33.9 | Very low | 174 Ų | 174 | 141 Ų | 141 | 91% | 0.911 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -101.5 | 137.8 | 174.3 | -69 | -178.1 | 0 | 0 | 0 | 111.9 | ||
| 375 | S | 31 | Very low | 34.1 | Very low | 115 Ų | 115 | 145.5 Ų | 145.5 | 80% | 0.804 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 145.6 | -173.3 | -173.7 | 0 | 0 | 0 | 0 | 113 | S377 | S375-S377 PolarHBondContact O-N 3.13Š|
| 376 | S | 37.5 | Very low | 34.7 | Very low | 115 Ų | 115 | 143.5 Ų | 143.5 | 80% | 0.804 | 83% | 0.828 | S | S | * | * | S | Bend | trans | -70.8 | 89.7 | 177.7 | -54.2 | 0 | 0 | 0 | 0 | 112.6 | ||
| 377 | S | 38.1 | Very low | 34.9 | Very low | 107 Ų | 107 | 143 Ų | 143 | 75% | 0.748 | 83% | 0.826 | S | S | * | * | trans | -174.1 | 80.9 | 160.7 | -79.9 | 0 | 0 | 0 | 0 | 112.2 | S375 | S375-S377 PolarHBondContact O-N 3.13Š| ||
| 378 | D | 36.5 | Very low | 35.1 | Very low | 166 Ų | 166 | 144 Ų | 144 | 89% | 0.888 | 83% | 0.831 | S | S | * | * | trans | -167.7 | 38.9 | 165.1 | -111.4 | -16.6 | 0 | 0 | 0 | 116.8 | ||||
| 379 | L | 39.2 | Very low | 35.3 | Very low | 171 Ų | 171 | 142.6 Ų | 142.6 | 90% | 0.895 | 83% | 0.829 | S | S | * | * | trans | -132.4 | 44 | 177.6 | -76.6 | -179.3 | 0 | 0 | 0 | 115.1 | ||||
| 380 | L | 41.2 | Very low | 35.9 | Very low | 180 Ų | 180 | 140.7 Ų | 140.7 | 94% | 0.942 | 83% | 0.828 | S | S | * | * | trans | -141.2 | 80.5 | 168.9 | -72.9 | 178.7 | 0 | 0 | 0 | 112.9 | ||||
| 381 | N | 35 | Very low | 36.4 | Very low | 172 Ų | 172 | 138.6 Ų | 138.6 | 92% | 0.92 | 83% | 0.825 | S | S | * | * | trans | -157.7 | 110.3 | 153.6 | -156.6 | 34.1 | 0 | 0 | 0 | 111.3 | ||||
| 382 | G | 31.9 | Very low | 37 | Very low | 72 Ų | 72 | 139.6 Ų | 139.6 | 74% | 0.742 | 82% | 0.823 | S | S | * | * | trans | 168.2 | 50.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 383 | E | 34.1 | Very low | 37.8 | Very low | 193 Ų | 193 | 141.6 Ų | 141.6 | 90% | 0.902 | 83% | 0.825 | S | S | * | * | trans | 16.4 | 112.5 | 153.5 | -65.4 | -72.2 | 105.9 | 0 | 0 | 119.5 | ||||
| 384 | G | 31.7 | Very low | 38.2 | Very low | 77 Ų | 77 | 141.9 Ų | 141.9 | 79% | 0.794 | 82% | 0.819 | S | S | * | * | trans | 168.9 | 56.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 385 | L | 33.4 | Very low | 38.6 | Very low | 169 Ų | 169 | 141.4 Ų | 141.4 | 89% | 0.885 | 82% | 0.817 | S | S | * | * | trans | -71.4 | 175.3 | -179.2 | -52.2 | 175.3 | 0 | 0 | 0 | 113.3 | ||||
| 386 | P | 41.4 | Very low | 39.2 | Very low | 111 Ų | 111 | 139.8 Ų | 139.8 | 72% | 0.721 | 81% | 0.805 | S | S | * | * | cis | -139.9 | 138.6 | -0.5 | 35.5 | -15.4 | 0 | 0 | 0 | 116.8 | ||||
| 387 | L | 36.2 | Very low | 39.4 | Very low | 164 Ų | 164 | 139.2 Ų | 139.2 | 86% | 0.859 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -155.1 | 152.6 | 145.1 | -86.2 | -165.2 | 0 | 0 | 0 | 109.5 | ||
| 388 | P | 37.2 | Very low | 39.6 | Very low | 113 Ų | 113 | 139 Ų | 139 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | trans | -76.1 | 132 | -158.2 | 27.9 | -34.9 | 0 | 0 | 0 | 114.7 | D390 | P388-D390 PolarHBondContact O-N 3.27Å; P388-D390 VanDerWaalsContact O-N 3.15Å | ||
| 389 | L | 40.8 | Very low | 40.1 | Very low | 156 Ų | 156 | 141.8 Ų | 141.8 | 82% | 0.817 | 80% | 0.795 | S | S | * | * | trans | -72.7 | 94.4 | 160.9 | -78.2 | 86.2 | 0 | 0 | 0 | 109.1 | ||||
| 390 | D | 43.2 | Very low | 40.5 | Very low | 161 Ų | 161 | 143.8 Ų | 143.8 | 86% | 0.861 | 79% | 0.79 | S | S | * | * | trans | -158.7 | 34.3 | 165.5 | -105.6 | -23 | 0 | 0 | 0 | 112.2 | P388 | P388-D390 PolarHBondContact O-N 3.27Å; P388-D390 VanDerWaalsContact O-N 3.15Å | ||
| 391 | S | 43.1 | Very low | 40.5 | Very low | 105 Ų | 105 | 142.9 Ų | 142.9 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | trans | -150.4 | 56.7 | 177.4 | -144.6 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 392 | F | 42 | Very low | 40.7 | Very low | 189 Ų | 189 | 142 Ų | 142 | 83% | 0.829 | 78% | 0.776 | S | S | * | * | trans | -85.3 | 110 | 150.9 | -75.3 | -75.8 | 0 | 0 | 0 | 107.7 | N394 | F392-N394 PolarHBondContact O-N 2.94Å; F392-N394 VanDerWaalsContact O-N 3.15Å | ||
| 393 | I | 50.8 | Low | 41.5 | Very low | 134 Ų | 134 | 146.4 Ų | 146.4 | 69% | 0.687 | 77% | 0.772 | S | S | * | * | trans | -68.4 | 110.4 | 179.1 | -59.3 | 171.6 | 0 | 0 | 0 | 108 | L395 | I393-L395 HydrophobicContact CG2-CD2 3.91Å; I393-L395 HydrophobicContact CG2-CG 4.49Å; I393-L395 PolarHBondContact O-N 3.48Å | ||
| 394 | N | 44.7 | Very low | 42.2 | Very low | 136 Ų | 136 | 145.9 Ų | 145.9 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | trans | -71 | 115.8 | 168 | -80.3 | -83.9 | 0 | 0 | 0 | 108.2 | F392 S396 | F392-N394 PolarHBondContact O-N 2.94Å; F392-N394 VanDerWaalsContact O-N 3.15Å; N394-S396 PolarHBondContact O-N 3.48Å | ||
| 395 | L | 41.8 | Very low | 43.2 | Very low | 164 Ų | 164 | 150.5 Ų | 150.5 | 86% | 0.859 | 77% | 0.767 | S | S | * | * | trans | -85.6 | 24.3 | 177.4 | -65.2 | 174.9 | 0 | 0 | 0 | 112.9 | I393 | I393-L395 HydrophobicContact CG2-CD2 3.91Å; I393-L395 HydrophobicContact CG2-CG 4.49Å; I393-L395 PolarHBondContact O-N 3.48Å | ||
| 396 | S | 44.3 | Very low | 44 | Very low | 80 Ų | 80 | 145.2 Ų | 145.2 | 56% | 0.559 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -104.2 | 128.5 | 171.7 | 48.2 | 0 | 0 | 0 | 0 | 110 | N394 | N394-S396 PolarHBondContact O-N 3.48Š|
| 397 | P | 40.9 | Very low | 44.7 | Very low | 103 Ų | 103 | 145.5 Ų | 145.5 | 67% | 0.669 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 138.1 | 176.8 | -22.8 | 33.3 | 0 | 0 | 0 | 111.5 | Y399 | P397-Y399 PolarHBondContact O-N 2.86Š|
| 398 | P | 43.1 | Very low | 45.8 | Very low | 103 Ų | 103 | 143.8 Ų | 143.8 | 67% | 0.669 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 123.1 | 174 | 27.2 | -32.7 | 0 | 0 | 0 | 110.1 | R400 | P398-R400 PolarHBondContact O-N 3.17Š|
| 399 | Y | 46.1 | Very low | 46.8 | Very low | 225 Ų | 225 | 147.2 Ų | 147.2 | 88% | 0.882 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -60.7 | 130.7 | 176.8 | -107 | -98.5 | 0 | 0 | 0 | 111.3 | P397 | P397-Y399 PolarHBondContact O-N 2.86Š|
| 400 | R | 48.2 | Very low | 47.5 | Very low | 212 Ų | 212 | 146.8 Ų | 146.8 | 80% | 0.8 | 74% | 0.742 | S | S | * | * | trans | 79.6 | 96.3 | -177.4 | -55.1 | -179.3 | 158.9 | 93.9 | 2.8 | 115.1 | P398 | P398-R400 PolarHBondContact O-N 3.17Š| ||
| 401 | H | 40 | Very low | 48.5 | Very low | 161 Ų | 161 | 143 Ų | 143 | 75% | 0.745 | 72% | 0.719 | S | S | * | * | -156.9 | 161.5 | 87.6 | -77.4 | -21.4 | 0 | 0 | 0 | 109.3 | Y403 | H401-Y403 WeakPolarHBondContact O-CD2 3.31Å; H401-Y403 PolarHBondContact O-N 2.79Å | |||
| 402 | D | 40.3 | Very low | 49.6 | Very low | 153 Ų | 153 | 139.8 Ų | 139.8 | 82% | 0.818 | 70% | 0.702 | S | S | * | * | trans | -69.1 | 112.3 | -176.4 | -61 | -55.4 | 0 | 0 | 0 | 110.9 | H404 | D402-H404 VanDerWaalsContact C-N 3.3Å; D402-H404 PolarHBondContact O-N 2.77Å | ||
| 403 | Y | 48.5 | Very low | 50.5 | Low | 166 Ų | 166 | 136.3 Ų | 136.3 | 65% | 0.651 | 69% | 0.691 | S | S | * | * | trans | -75.3 | 77.5 | 178.5 | -76 | -87.4 | 0 | 0 | 0 | 111.6 | H401 F405 | H401-Y403 WeakPolarHBondContact O-CD2 3.31Å; H401-Y403 PolarHBondContact O-N 2.79Å; Y403-F405 AromaticContact CD1-CE2 3.73Å; Y403-F405 HydrophobicContact CD1-CE2 3.73Å; Y403-F405 AromaticContact CD1-CZ 3.98Å; Y403-F405 HydrophobicContact CD1-CZ 3.98Å; Y403-F405 HydrophobicContact CG-CE2 4.17Å; Y403-F405 PolarHBondContact O-N 3.49Å; Y403-F405 VanDerWaalsContact O-N 3.09Å | ||
| 404 | H | 49.3 | Very low | 50.9 | Low | 181 Ų | 181 | 132.3 Ų | 132.3 | 84% | 0.838 | 68% | 0.675 | S | S | * | * | trans | -75.9 | 86.4 | 165.3 | -86.5 | -76.1 | 0 | 0 | 0 | 110.6 | D402 G406 | D402-H404 VanDerWaalsContact C-N 3.3Å; D402-H404 PolarHBondContact O-N 2.77Å; H404-G406 PolarHBondContact O-N 2.67Å; H404-G406 VanDerWaalsContact O-N 3.08Å | ||
| 405 | F | 51.8 | Low | 51.7 | Low | 174 Ų | 174 | 132 Ų | 132 | 76% | 0.763 | 67% | 0.67 | S | S | * | * | trans | -74.1 | 90.8 | 165 | -73.4 | -79.8 | 0 | 0 | 0 | 110 | Y403 | Y403-F405 AromaticContact CD1-CE2 3.73Å; Y403-F405 HydrophobicContact CD1-CE2 3.73Å; Y403-F405 AromaticContact CD1-CZ 3.98Å; Y403-F405 HydrophobicContact CD1-CZ 3.98Å; Y403-F405 HydrophobicContact CG-CE2 4.17Å; Y403-F405 PolarHBondContact O-N 3.49Å; Y403-F405 VanDerWaalsContact O-N 3.09Å | ||
| 406 | G | 49.8 | Very low | 52.7 | Low | 59 Ų | 59 | 129.6 Ų | 129.6 | 61% | 0.608 | 66% | 0.657 | S | S | * | * | trans | -118.1 | 118.9 | 163.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | H404 E408 | H404-G406 PolarHBondContact O-N 2.67Å; H404-G406 VanDerWaalsContact O-N 3.08Å; G406-E408 PolarHBondContact O-N 3.27Å | ||
| 407 | L | 55.7 | Low | 53.5 | Low | 117 Ų | 117 | 132.5 Ų | 132.5 | 61% | 0.613 | 66% | 0.659 | S | S | * | * | trans | -68.9 | 126 | 167.3 | -70 | 162.7 | 0 | 0 | 0 | 107.9 | E411 | L407-E411 HydrophobicContact CD2-CB 4.12Š| ||
| 408 | E | 59.9 | Low | 54.1 | Low | 127 Ų | 127 | 135.1 Ų | 135.1 | 59% | 0.593 | 67% | 0.668 | S | S | * | * | trans | -71.8 | 158.9 | 168 | -66.6 | -161.1 | 162.7 | 0 | 0 | 110.1 | G406 H410 E411 | G406-E408 PolarHBondContact O-N 3.27Å; E408-H410 PolarHBondContact O-N 3.43Å; E408-H410 IonicContact OE2-CE1 3.75Å; E408-H410 PolarHBondContact OE2-CE1 3.1Å; E408-H410 VanDerWaalsContact OE2-CE1 3.31Å; E408-H410 IonicContact OE2-ND1 3.97Å; E408-E411 PolarHBondContact O-N 2.7Å | ||
| 409 | D | 58.8 | Low | 54.4 | Low | 185 Ų | 185 | 133 Ų | 133 | 99% | 0.989 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.7 | 3.5 | -172.2 | -70.8 | -37.9 | 0 | 0 | 0 | 115.7 | ||
| 410 | H | 55.9 | Low | 54.7 | Low | 147 Ų | 147 | 129.9 Ų | 129.9 | 68% | 0.681 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.1 | -5.1 | -179.4 | 67.5 | -69 | 0 | 0 | 0 | 114.6 | E408 | E408-H410 PolarHBondContact O-N 3.43Å; E408-H410 IonicContact OE2-CE1 3.75Å; E408-H410 PolarHBondContact OE2-CE1 3.1Å; E408-H410 VanDerWaalsContact OE2-CE1 3.31Å; E408-H410 IonicContact OE2-ND1 3.97Å |
| 411 | E | 64.3 | Low | 55.2 | Low | 82 Ų | 82 | 125.4 Ų | 125.4 | 38% | 0.383 | 64% | 0.64 | S | S | . | * | trans | -96.1 | 137.6 | 177.6 | -69.2 | 178.4 | 167.7 | 0 | 0 | 110.8 | L407 E408 | L407-E411 HydrophobicContact CD2-CB 4.12Å; E408-E411 PolarHBondContact O-N 2.7Å | ||
| 412 | G | 65.3 | Low | 55.8 | Low | 37 Ų | 37 | 125.8 Ų | 125.8 | 38% | 0.381 | 64% | 0.642 | S | S | . | * | trans | -115.2 | 166.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | S414 E415 | G412-S414 PolarHBondContact O-N 3.05Å; G412-E415 PolarHBondContact O-N 3.39Å | ||
| 413 | I | 61.2 | Low | 56.3 | Low | 117 Ų | 117 | 125.7 Ų | 125.7 | 60% | 0.6 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.9 | -11.8 | 175.7 | 56.2 | 170.3 | 0 | 0 | 0 | 114.8 | L416 | I413-L416 PolarHBondContact O-N 3.47Š|
| 414 | S | 59 | Low | 56.4 | Low | 50 Ų | 50 | 124.5 Ų | 124.5 | 35% | 0.35 | 65% | 0.646 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -59.7 | -41.1 | 177.1 | -38.5 | 0 | 0 | 0 | 0 | 113.3 | G412 L416 F417 D418 C419 | G412-S414 PolarHBondContact O-N 3.05Å; S414-L416 VanDerWaalsContact C-N 3.31Å; S414-L416 PolarHBondContact O-N 3.29Å; S414-F417 PolarHBondContact O-N 3.06Å; S414-D418 PolarHBondContact O-N 2.87Å; S414-C419 PolarHBondContact O-N 2.69Å |
| 415 | E | 61.8 | Low | 56.3 | Low | 130 Ų | 130 | 120 Ų | 120 | 61% | 0.607 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.7 | -20.4 | -179.3 | -74.1 | -179.3 | 135.5 | 0 | 0 | 112.9 | G412 F417 | G412-E415 PolarHBondContact O-N 3.39Å; E415-F417 PolarHBondContact O-N 3.16Å |
| 416 | L | 62.8 | Low | 56 | Low | 112 Ų | 112 | 119.7 Ų | 119.7 | 59% | 0.586 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72 | -13.6 | 177 | -154.5 | 75.5 | 0 | 0 | 0 | 112.7 | I413 S414 | I413-L416 PolarHBondContact O-N 3.47Å; S414-L416 VanDerWaalsContact C-N 3.31Å; S414-L416 PolarHBondContact O-N 3.29Å |
| 417 | F | 60.4 | Low | 55.8 | Low | 141 Ų | 141 | 123.3 Ų | 123.3 | 62% | 0.618 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.1 | 6.3 | -173.2 | -64.8 | -73.6 | 0 | 0 | 0 | 114.5 | S414 E415 C419 | S414-F417 PolarHBondContact O-N 3.06Å; E415-F417 PolarHBondContact O-N 3.16Å; F417-C419 HydrophobicContact CB-CB 4.33Å; F417-C419 PolarHBondContact O-N 3.23Å; F417-C419 PolarHBondContact O-SG 2.94Å |
| 418 | D | 55 | Low | 55.1 | Low | 159 Ų | 159 | 129.4 Ų | 129.4 | 85% | 0.85 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 46.9 | 44.7 | -172.2 | -76 | -33 | 0 | 0 | 0 | 112.9 | S414 | S414-D418 PolarHBondContact O-N 2.87Š|
| 419 | C | 47.4 | Very low | 54.8 | Low | 57 Ų | 57 | 129.5 Ų | 129.5 | 39% | 0.385 | 68% | 0.681 | S | S | . | * | trans | -116.2 | 108.5 | -173.5 | -74.9 | 0 | 0 | 0 | 0 | 113 | S414 F417 F421 | S414-C419 PolarHBondContact O-N 2.69Å; F417-C419 HydrophobicContact CB-CB 4.33Å; F417-C419 PolarHBondContact O-N 3.23Å; F417-C419 PolarHBondContact O-SG 2.94Å; C419-F421 HydrophobicContact CB-CD2 4.47Å; C419-F421 HydrophobicContact CB-CE2 3.88Å; C419-F421 HydrophobicContact CB-CZ 4.17Å; C419-F421 WeakPolarHBondContact O-CD2 3.29Å; C419-F421 PolarHBondContact O-N 2.79Å | ||
| 420 | D | 54.4 | Low | 54.6 | Low | 160 Ų | 160 | 126.6 Ų | 126.6 | 86% | 0.856 | 67% | 0.665 | S | S | * | * | trans | -76.1 | 108.4 | 173.3 | -71.1 | -35.4 | 0 | 0 | 0 | 111.5 | E422 | D420-E422 VanDerWaalsContact C-N 3.34Å; D420-E422 PolarHBondContact O-N 3.16Å | ||
| 421 | F | 58.1 | Low | 54.6 | Low | 119 Ų | 119 | 125.4 Ų | 125.4 | 52% | 0.522 | 66% | 0.664 | S | S | . | * | trans | -86.1 | 9.1 | -179.2 | -71.6 | -81.8 | 0 | 0 | 0 | 114.8 | C419 D423 L424 | C419-F421 HydrophobicContact CB-CD2 4.47Å; C419-F421 HydrophobicContact CB-CE2 3.88Å; C419-F421 HydrophobicContact CB-CZ 4.17Å; C419-F421 WeakPolarHBondContact O-CD2 3.29Å; C419-F421 PolarHBondContact O-N 2.79Å; F421-D423 VanDerWaalsContact C-N 3.27Å; F421-D423 PolarHBondContact O-N 3.11Å; F421-L424 HydrophobicContact CD1-CD1 4.28Å; F421-L424 PolarHBondContact O-N 2.77Å | ||
| 422 | E | 53.3 | Low | 54 | Low | 169 Ų | 169 | 128 Ų | 128 | 79% | 0.79 | 68% | 0.681 | S | S | * | * | G | 310 helix | trans | -63.3 | -27.7 | -172.8 | -65.3 | -153.9 | 133.7 | 0 | 0 | 114.3 | D420 L424 S425 | D420-E422 VanDerWaalsContact C-N 3.34Å; D420-E422 PolarHBondContact O-N 3.16Å; E422-L424 PolarHBondContact O-N 2.68Å; E422-S425 PolarHBondContact O-N 3.19Å; E422-S425 PolarHBondContact O-OG 3.39Å |
| 423 | D | 50.6 | Low | 53.3 | Low | 150 Ų | 150 | 133.7 Ų | 133.7 | 80% | 0.802 | 70% | 0.699 | S | S | * | * | G | 310 helix | trans | -74.2 | -9.5 | -173.2 | -129.3 | 11.9 | 0 | 0 | 0 | 114 | F421 S425 | F421-D423 VanDerWaalsContact C-N 3.27Å; F421-D423 PolarHBondContact O-N 3.11Å; D423-S425 VanDerWaalsContact C-N 3.29Å; D423-S425 PolarHBondContact O-N 3.21Å |
| 424 | L | 49.1 | Very low | 52.8 | Low | 142 Ų | 142 | 134.8 Ų | 134.8 | 74% | 0.743 | 71% | 0.706 | S | S | * | * | G | 310 helix | trans | -80.5 | -3.9 | 176.5 | -88.8 | 158 | 0 | 0 | 0 | 114.3 | F421 E422 H426 | F421-L424 HydrophobicContact CD1-CD1 4.28Å; F421-L424 PolarHBondContact O-N 2.77Å; E422-L424 PolarHBondContact O-N 2.68Å; L424-H426 VanDerWaalsContact C-N 3.32Å; L424-H426 PolarHBondContact O-N 3.48Å |
| 425 | S | 47.2 | Very low | 52.3 | Low | 87 Ų | 87 | 140.9 Ų | 140.9 | 61% | 0.608 | 73% | 0.731 | S | S | * | * | G | 310 helix | trans | -78.8 | -9.9 | 179.4 | 61.4 | 0 | 0 | 0 | 0 | 114.6 | E422 D423 | E422-S425 PolarHBondContact O-N 3.19Å; E422-S425 PolarHBondContact O-OG 3.39Å; D423-S425 VanDerWaalsContact C-N 3.29Å; D423-S425 PolarHBondContact O-N 3.21Å |
| 426 | H | 46.5 | Very low | 51.6 | Low | 167 Ų | 167 | 141.7 Ų | 141.7 | 77% | 0.773 | 74% | 0.741 | S | S | * | * | G | 310 helix | trans | -105.4 | 27.2 | -171.3 | -93 | -62.3 | 0 | 0 | 0 | 116.1 | L424 | L424-H426 VanDerWaalsContact C-N 3.32Å; L424-H426 PolarHBondContact O-N 3.48Å |
| 427 | V | 45.1 | Very low | 50.6 | Low | 135 Ų | 135 | 144.2 Ų | 144.2 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | trans | -134 | 91.4 | 164.9 | -170.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 428 | L | 40.9 | Very low | 49.8 | Very low | 244 Ų | 244 | 144.5 Ų | 144.5 | 100% | 1.277 | 77% | 0.766 | S | S | * | * | trans | -129.2 | 0 | 164 | -91.7 | 173.1 | 0 | 0 | 0 | 110 |
Retrieved 428 of 428 residues in 179.8 ms
(Link to these results)