| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 34.3 | Very low | 29.5 | Very low | 249 Ų | 249 | 160.5 Ų | 160.5 | 100% | 1.227 | 87% | 0.871 | S | S | * | * | 0 | 109.1 | 0 | -137.9 | 169 | -93.1 | 0 | 0 | 105.9 | |||||
| 2 | A | 28.4 | Very low | 29.2 | Very low | 102 Ų | 102 | 162 Ų | 162 | 84% | 0.843 | 86% | 0.864 | S | S | * | * | trans | -95 | 148.7 | -150.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 3 | W | 32.2 | Very low | 29.3 | Very low | 247 Ų | 247 | 158.5 Ų | 158.5 | 94% | 0.936 | 85% | 0.853 | S | S | * | * | trans | -59.8 | 148.2 | 167.1 | -77.7 | 23.5 | 0 | 0 | 0 | 113.4 | ||||
| 4 | T | 31.5 | Very low | 29.2 | Very low | 150 Ų | 150 | 156.9 Ų | 156.9 | 92% | 0.92 | 84% | 0.842 | S | S | * | * | trans | -161.2 | 148.4 | 134.1 | 35.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 5 | R | 33.6 | Very low | 29 | Very low | 241 Ų | 241 | 159.6 Ų | 159.6 | 91% | 0.909 | 84% | 0.844 | S | S | * | * | trans | -61.3 | 159 | -176.4 | -67 | 171.2 | 163.8 | -171.2 | -5.6 | 115.6 | ||||
| 6 | S | 27 | Very low | 28.8 | Very low | 117 Ų | 117 | 160.3 Ų | 160.3 | 82% | 0.818 | 84% | 0.838 | S | S | * | * | -164.7 | 124.3 | 120.6 | -104.1 | 0 | 0 | 0 | 0 | 114 | |||||
| 7 | T | 28.2 | Very low | 28.7 | Very low | 127 Ų | 127 | 155.8 Ų | 155.8 | 78% | 0.779 | 83% | 0.83 | S | S | * | * | trans | -1.1 | 129.5 | 153.7 | 46.6 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 8 | C | 24.8 | Very low | 28.5 | Very low | 129 Ų | 129 | 157.3 Ų | 157.3 | 87% | 0.872 | 83% | 0.83 | S | S | * | * | trans | -115.1 | 123 | 156.1 | -137.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 9 | I | 29.2 | Very low | 28.5 | Very low | 151 Ų | 151 | 156.6 Ų | 156.6 | 77% | 0.774 | 83% | 0.826 | S | S | * | * | trans | -80 | 124.6 | 179.4 | -67.9 | 168 | 0 | 0 | 0 | 108.1 | ||||
| 10 | L | 27.8 | Very low | 28.4 | Very low | 146 Ų | 146 | 152.7 Ų | 152.7 | 76% | 0.764 | 82% | 0.817 | S | S | * | * | trans | -76.5 | 115.4 | 166.3 | -94.6 | 111.3 | 0 | 0 | 0 | 109 | F12 | L10-F12 HydrophobicContact CD2-CD2 4.14Å; L10-F12 HydrophobicContact CD2-CE2 3.91Å | ||
| 11 | S | 27.1 | Very low | 28.2 | Very low | 106 Ų | 106 | 149.2 Ų | 149.2 | 74% | 0.741 | 81% | 0.809 | S | S | * | * | trans | -90.8 | 106.9 | 159 | -76.2 | 0 | 0 | 0 | 0 | 108.5 | T13 | S11-T13 PolarHBondContact O-N 2.72Š| ||
| 12 | F | 26.8 | Very low | 27.9 | Very low | 179 Ų | 179 | 142 Ų | 142 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | trans | -78.7 | 103.4 | 163.5 | -104.1 | -93.7 | 0 | 0 | 0 | 108.1 | L10 | L10-F12 HydrophobicContact CD2-CD2 4.14Å; L10-F12 HydrophobicContact CD2-CE2 3.91Å | ||
| 13 | T | 30.1 | Very low | 27.9 | Very low | 117 Ų | 117 | 141.4 Ų | 141.4 | 72% | 0.718 | 77% | 0.769 | S | S | * | * | trans | -90.5 | 102.5 | 161.6 | 41.8 | 0 | 0 | 0 | 0 | 108.2 | S11 F15 | S11-T13 PolarHBondContact O-N 2.72Å; T13-F15 PolarHBondContact O-N 3.34Å | ||
| 14 | L | 27.2 | Very low | 28 | Very low | 135 Ų | 135 | 133.9 Ų | 133.9 | 71% | 0.707 | 75% | 0.746 | S | S | * | * | trans | -63.3 | 109.8 | 166.5 | -92.4 | 132.4 | 0 | 0 | 0 | 108.9 | F16 | L14-F16 HydrophobicContact CB-CD2 4.46Å; L14-F16 HydrophobicContact CB-CE2 4.44Å; L14-F16 PolarHBondContact O-N 3.33Å | ||
| 15 | F | 27.3 | Very low | 28.5 | Very low | 198 Ų | 198 | 132.3 Ų | 132.3 | 87% | 0.868 | 73% | 0.726 | S | S | * | * | trans | -73.8 | 105.3 | 160.3 | -96.8 | -93.3 | 0 | 0 | 0 | 107.7 | T13 A17 | T13-F15 PolarHBondContact O-N 3.34Å; F15-A17 PolarHBondContact O-N 3.45Å | ||
| 16 | F | 25.7 | Very low | 28.7 | Very low | 171 Ų | 171 | 126.9 Ų | 126.9 | 75% | 0.75 | 71% | 0.707 | S | S | * | * | trans | -74.4 | 105 | 161.5 | -87.4 | -90.7 | 0 | 0 | 0 | 107.5 | L14 H18 | L14-F16 HydrophobicContact CB-CD2 4.46Å; L14-F16 HydrophobicContact CB-CE2 4.44Å; L14-F16 PolarHBondContact O-N 3.33Å; F16-H18 PolarHBondContact O-N 3.26Å | ||
| 17 | A | 26.6 | Very low | 29.4 | Very low | 84 Ų | 84 | 123.4 Ų | 123.4 | 69% | 0.694 | 68% | 0.679 | S | S | * | * | trans | -71 | 110.8 | 162.3 | 0 | 0 | 0 | 0 | 0 | 107.5 | F15 I19 | F15-A17 PolarHBondContact O-N 3.45Å; A17-I19 VanDerWaalsContact C-N 3.31Å; A17-I19 PolarHBondContact O-N 3.47Å | ||
| 18 | H | 24.9 | Very low | 29.7 | Very low | 182 Ų | 182 | 121.5 Ų | 121.5 | 84% | 0.843 | 67% | 0.668 | S | S | * | * | trans | -73.6 | 91.5 | 165.7 | -85.5 | -60.3 | 0 | 0 | 0 | 108 | F16 A20 | F16-H18 PolarHBondContact O-N 3.26Å; H18-A20 PolarHBondContact O-N 3.1Å | ||
| 19 | I | 28.2 | Very low | 30.2 | Very low | 144 Ų | 144 | 123.1 Ų | 123.1 | 74% | 0.738 | 66% | 0.66 | S | S | * | * | trans | -71.6 | 118.3 | 161.8 | -60.3 | 171.6 | 0 | 0 | 0 | 105.6 | A17 A21 | A17-I19 VanDerWaalsContact C-N 3.31Å; A17-I19 PolarHBondContact O-N 3.47Å; I19-A21 PolarHBondContact O-N 3.32Å | ||
| 20 | A | 26.3 | Very low | 30.5 | Very low | 79 Ų | 79 | 121.7 Ų | 121.7 | 65% | 0.653 | 65% | 0.65 | S | S | * | * | trans | -68.4 | 83.8 | 165.5 | 0 | 0 | 0 | 0 | 0 | 107.6 | H18 V22 | H18-A20 PolarHBondContact O-N 3.1Å; A20-V22 PolarHBondContact O-N 2.79Å | ||
| 21 | A | 25.4 | Very low | 30.8 | Very low | 79 Ų | 79 | 121.7 Ų | 121.7 | 65% | 0.653 | 65% | 0.651 | S | S | * | * | trans | -65 | 115.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 108 | I19 S23 | I19-A21 PolarHBondContact O-N 3.32Å; A21-S23 PolarHBondContact O-N 2.99Å; A21-S23 VanDerWaalsContact O-N 3.12Å | ||
| 22 | V | 27.8 | Very low | 31.6 | Very low | 99 Ų | 99 | 118.5 Ų | 118.5 | 60% | 0.6 | 63% | 0.627 | S | S | * | * | trans | -51.7 | 121.3 | 154.4 | 176.6 | 0 | 0 | 0 | 0 | 105.8 | A20 I24 | A20-V22 PolarHBondContact O-N 2.79Å; V22-I24 VanDerWaalsContact C-N 3.31Å; V22-I24 PolarHBondContact O-N 2.93Å | ||
| 23 | S | 28.5 | Very low | 33 | Very low | 88 Ų | 88 | 115.7 Ų | 115.7 | 62% | 0.615 | 62% | 0.617 | S | S | * | * | trans | -68.8 | 89.5 | -172.5 | -165.8 | 0 | 0 | 0 | 0 | 109.5 | A21 K25 | A21-S23 PolarHBondContact O-N 2.99Å; A21-S23 VanDerWaalsContact O-N 3.12Å; S23-K25 VanDerWaalsContact C-N 3.32Å; S23-K25 PolarHBondContact O-N 3.38Å | ||
| 24 | I | 34 | Very low | 34.4 | Very low | 89 Ų | 89 | 111.3 Ų | 111.3 | 46% | 0.456 | 59% | 0.589 | S | S | . | * | trans | -66.8 | 97.3 | 163.1 | -62.3 | -179.2 | 0 | 0 | 0 | 105.7 | V22 Y26 V444 L454 | V22-I24 VanDerWaalsContact C-N 3.31Å; V22-I24 PolarHBondContact O-N 2.93Å; I24-Y26 PolarHBondContact O-N 3.47Å; I24-Y26 VanDerWaalsContact O-N 3.13Å; I24-V444 HydrophobicContact CD1-CG2 4.23Å; I24-L454 HydrophobicContact CG2-CD2 3.57Å | ||
| 25 | K | 42.9 | Very low | 36 | Very low | 117 Ų | 117 | 105.8 Ų | 105.8 | 51% | 0.509 | 56% | 0.563 | S | S | . | * | trans | -80 | 99.5 | -179.4 | -73.9 | -174.6 | -178.1 | 176.5 | 0 | 109.3 | S23 L27 D556 | S23-K25 VanDerWaalsContact C-N 3.32Å; S23-K25 PolarHBondContact O-N 3.38Å; K25-L27 PolarHBondContact O-N 2.93Å; K25-D556 HydrophobicContact CD-CB 4.17Å | ||
| 26 | Y | 37.8 | Very low | 38 | Very low | 128 Ų | 128 | 99.7 Ų | 99.7 | 50% | 0.502 | 54% | 0.539 | S | S | . | . | trans | -66.3 | 111.9 | 166.2 | -179.1 | -94.8 | 0 | 0 | 0 | 109.2 | I24 P28 D452 | I24-Y26 PolarHBondContact O-N 3.47Å; I24-Y26 VanDerWaalsContact O-N 3.13Å; Y26-P28 HydrophobicContact CE1-CB 4.33Å; Y26-D452 HydrophobicContact CE2-CB 4.14Å; Y26-D452 PolarHBondContact OH-OD1 3.17Å; Y26-D452 PolarHBondContact OH-OD2 2.74Å | ||
| 27 | L | 40.6 | Very low | 40.2 | Very low | 44 Ų | 44 | 94 Ų | 94 | 23% | 0.23 | 51% | 0.514 | C | S | . | . | B | Isolated β-bridge | trans | -96.5 | 115.4 | 171 | -71 | 174.1 | 0 | 0 | 0 | 108.6 | K25 | K25-L27 PolarHBondContact O-N 2.93Å |
| 28 | P | 33.9 | Very low | 42 | Very low | 86 Ų | 86 | 93 Ų | 93 | 56% | 0.558 | 51% | 0.511 | S | S | * | . | trans | -64.5 | 148.7 | 175.3 | 26.6 | -31.7 | 0 | 0 | 0 | 110.3 | Y26 E30 | Y26-P28 HydrophobicContact CE1-CB 4.33Å; P28-E30 PolarHBondContact O-N 3.33Å | ||
| 29 | K | 35.3 | Very low | 44.4 | Very low | 163 Ų | 163 | 92.9 Ų | 92.9 | 71% | 0.709 | 51% | 0.511 | S | S | * | . | trans | -30.1 | 91.5 | 176.6 | -163.1 | 177.6 | -172.8 | 177.9 | 0 | 114.8 | ||||
| 30 | E | 36.4 | Very low | 46.9 | Very low | 121 Ų | 121 | 88.7 Ų | 88.7 | 57% | 0.565 | 49% | 0.488 | S | S | * | . | trans | -88.3 | 140.7 | 160.3 | -76.6 | -174.6 | 158.2 | 0 | 0 | 108.8 | P28 V32 | P28-E30 PolarHBondContact O-N 3.33Å; E30-V32 HydrophobicContact CB-CG2 3.93Å; E30-V32 PolarHBondContact O-N 3.41Å | ||
| 31 | N | 33.8 | Very low | 49.9 | Very low | 146 Ų | 146 | 90.1 Ų | 90.1 | 78% | 0.781 | 48% | 0.48 | S | S | * | . | trans | -72.9 | 67.4 | 171.6 | -72.7 | -29.2 | 0 | 0 | 0 | 109.4 | ||||
| 32 | V | 44.7 | Very low | 53.1 | Low | 39 Ų | 39 | 86.5 Ų | 86.5 | 24% | 0.236 | 45% | 0.45 | C | S | . | . | trans | -88.9 | 120.6 | 167.7 | -170.4 | 0 | 0 | 0 | 0 | 106.6 | E30 D34 | E30-V32 HydrophobicContact CB-CG2 3.93Å; E30-V32 PolarHBondContact O-N 3.41Å; V32-D34 WeakPolarHBondContact CG1-OD1 3.42Å | ||
| 33 | H | 54.8 | Low | 56.3 | Low | 121 Ų | 121 | 81.9 Ų | 81.9 | 56% | 0.56 | 42% | 0.422 | S | S | * | . | trans | -92.6 | 121.1 | 179.5 | -66.7 | -79.3 | 0 | 0 | 0 | 108.7 | V537 I563 | H33-V537 HydrophobicContact CB-CB 4.03Å; H33-V537 HydrophobicContact CB-CG1 3.72Å; H33-V537 HydrophobicContact CB-CG2 3.1Å; H33-I563 VanDerWaalsContact O-CG2 3.29Å; H33-I563 WeakPolarHBondContact O-CG2 3.41Å | ||
| 34 | D | 59.8 | Low | 59.5 | Low | 25 Ų | 25 | 78 Ų | 78 | 13% | 0.134 | 39% | 0.394 | C | S | . | . | trans | -115.2 | 162.1 | -169.1 | -63.7 | -22.8 | 0 | 0 | 0 | 111.2 | V32 Y472 R476 I563 D564 | V32-D34 WeakPolarHBondContact CG1-OD1 3.42Å; D34-Y472 PolarHBondContact OD2-OH 2.75Å; D34-R476 IonicContact OD2-CZ 3.87Å; D34-R476 VanDerWaalsContact OD2-CZ 3.23Å; D34-R476 IonicContact OD2-NE 3.69Å; D34-R476 PolarHBondContact OD2-NE 3.49Å; D34-R476 IonicContact OD2-NH2 2.62Å; D34-R476 PolarHBondContact OD2-NH2 3.27Å; D34-I563 HydrophobicContact CB-CG2 4.46Å; D34-D564 HydrophobicContact CB-CB 4.19Å; D34-D564 WeakPolarHBondContact CB-O 3.45Å | ||
| 35 | A | 60.8 | Low | 62.3 | Low | 19 Ų | 19 | 77.8 Ų | 77.8 | 16% | 0.157 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 139.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | R483 I543 D564 F565 G566 | A35-R483 PolarHBondContact O-NH2 3.21Å; A35-R483 VanDerWaalsContact O-NH2 3.16Å; A35-I543 HydrophobicContact CB-CD1 3.81Å; A35-D564 PolarHBondContact N-O 2.9Å; A35-F565 HydrophobicContact CB-CD2 3.54Å; A35-F565 HydrophobicContact CB-CE2 4Å; A35-F565 WeakPolarHBondContact O-CA 3.39Å; A35-G566 PolarHBondContact O-N 2.92Å |
| 36 | D | 70.7 | Confident | 64.8 | Low | 69 Ų | 69 | 73 Ų | 73 | 37% | 0.369 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 141.4 | -170.4 | -65.3 | 2.4 | 0 | 0 | 0 | 110.4 | R476 R483 G566 S568 | D36-R476 VanDerWaalsContact CG-NH1 3.34Å; D36-R476 IonicContact OD1-CZ 2.93Å; D36-R476 IonicContact OD1-NH1 3.66Å; D36-R476 PolarHBondContact OD1-NH1 3.45Å; D36-R476 IonicContact OD1-NH2 3.97Å; D36-R476 PolarHBondContact OD1-NH2 2.9Å; D36-R476 IonicContact OD2-NH1 3.49Å; D36-R476 PolarHBondContact OD2-NH1 2.95Å; D36-R476 VanDerWaalsContact OD2-NH1 3.09Å; D36-R483 IonicContact OD1-CZ 3.11Å; D36-R483 IonicContact OD1-NE 3.46Å; D36-R483 IonicContact OD1-NH1 2.99Å; D36-R483 PolarHBondContact OD1-NH1 2.89Å; D36-R483 IonicContact OD1-NH2 2.8Å; D36-R483 PolarHBondContact OD1-NH2 3.38Å; D36-R483 IonicContact OD2-CZ 2.83Å; D36-R483 IonicContact OD2-NH1 2.7Å; D36-R483 PolarHBondContact OD2-NH1 3.44Å; D36-G566 WeakPolarHBondContact CA-O 3.11Å; D36-S568 PolarHBondContact OD2-OG 3.13Å |
| 37 | F | 71.7 | Confident | 67.6 | Low | 53 Ų | 53 | 67 Ų | 67 | 23% | 0.232 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 146.3 | 157.2 | -70.8 | -74.8 | 0 | 0 | 0 | 109.7 | F527 F565 G566 W567 | F37-F527 HydrophobicContact CE1-CB 4.41Å; F37-F527 HydrophobicContact CE2-CB 3.86Å; F37-F527 AromaticContact CE2-CD1 3.84Å; F37-F527 HydrophobicContact CE2-CD1 3.84Å; F37-F527 AromaticContact CE2-CG 3.9Å; F37-F527 HydrophobicContact CE2-CG 3.9Å; F37-F527 HydrophobicContact CZ-CB 3.39Å; F37-F527 HydrophobicContact CZ-CD1 4.21Å; F37-F527 HydrophobicContact CZ-CD2 4.4Å; F37-F527 AromaticContact CZ-CG 3.78Å; F37-F527 HydrophobicContact CZ-CG 3.78Å; F37-F565 HydrophobicContact CD1-CZ 4.48Å; F37-F565 HydrophobicContact CD2-CE1 4.18Å; F37-F565 HydrophobicContact CD2-CZ 4.39Å; F37-F565 AromaticContact CE1-CE1 3.96Å; F37-F565 HydrophobicContact CE1-CE1 3.96Å; F37-F565 AromaticContact CE1-CZ 3.85Å; F37-F565 HydrophobicContact CE1-CZ 3.85Å; F37-F565 AromaticContact CE2-CD1 3.75Å; F37-F565 HydrophobicContact CE2-CD1 3.75Å; F37-F565 AromaticContact CE2-CE1 3.21Å; F37-F565 HydrophobicContact CE2-CE1 3.21Å; F37-F565 AromaticContact CE2-CZ 3.75Å; F37-F565 HydrophobicContact CE2-CZ 3.75Å; F37-F565 HydrophobicContact CZ-CD1 4.07Å; F37-F565 AromaticContact CZ-CE1 3.09Å; F37-F565 HydrophobicContact CZ-CE1 3.09Å; F37-F565 AromaticContact CZ-CZ 3.46Å; F37-F565 HydrophobicContact CZ-CZ 3.46Å; F37-F565 VanDerWaalsContact CZ-CZ 3.46Å; F37-G566 PolarHBondContact N-O 3.18Å; F37-W567 HydrophobicContact CB-CG 4.26Å; F37-W567 AromaticContact CD2-CD1 3.96Å; F37-W567 AromaticContact CD2-CD2 3.83Å; F37-W567 HydrophobicContact CD2-CD2 3.83Å; F37-W567 AromaticContact CD2-CE2 3.4Å; F37-W567 HydrophobicContact CD2-CG 4.16Å; F37-W567 AromaticContact CD2-CZ2 3.8Å; F37-W567 HydrophobicContact CD2-CZ2 3.8Å; F37-W567 AromaticContact CD2-NE1 3.47Å; F37-W567 HydrophobicContact CE2-CD2 4.42Å; F37-W567 AromaticContact CE2-CE2 3.81Å; F37-W567 HydrophobicContact CE2-CH2 4.23Å; F37-W567 AromaticContact CE2-CZ2 3.69Å; F37-W567 HydrophobicContact CE2-CZ2 3.69Å; F37-W567 AromaticContact CG-NE1 3.6Å; F37-W567 HydrophobicContact CZ-CZ2 4.4Å |
| 38 | G | 64.5 | Low | 70.2 | Confident | 62 Ų | 62 | 67.4 Ų | 67.4 | 64% | 0.639 | 35% | 0.35 | S | S | * | . | P | Polyproline II helix | trans | -61.6 | 172 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q40 | G38-Q40 PolarHBondContact O-N 2.9Š|
| 39 | E | 73.9 | Confident | 73 | Confident | 180 Ų | 180 | 67.1 Ų | 67.1 | 84% | 0.841 | 36% | 0.355 | S | S | * | . | P | Polyproline II helix | trans | -57.3 | 133.7 | 173 | -174 | 171.4 | -159.3 | 0 | 0 | 110.7 | K41 | E39-K41 PolarHBondContact O-N 3.36Š|
| 40 | Q | 81.6 | Confident | 75.8 | Confident | 55 Ų | 55 | 61.1 Ų | 61.1 | 26% | 0.257 | 34% | 0.336 | S | S | . | . | trans | -70.8 | 113.3 | 174 | -179.1 | -178.2 | 1.8 | 0 | 0 | 108.3 | G38 Y149 | G38-Q40 PolarHBondContact O-N 2.9Å; Q40-Y149 HydrophobicContact CB-CE1 4.32Å; Q40-Y149 HydrophobicContact CG-CD1 4.19Å; Q40-Y149 HydrophobicContact CG-CD2 4.18Å; Q40-Y149 HydrophobicContact CG-CE1 3.92Å; Q40-Y149 HydrophobicContact CG-CE2 3.91Å; Q40-Y149 HydrophobicContact CG-CG 4.32Å | ||
| 41 | K | 88.4 | Confident | 78.6 | Confident | 109 Ų | 109 | 58.3 Ų | 58.3 | 47% | 0.474 | 34% | 0.339 | S | S | . | . | trans | -83.6 | 148.9 | 175.3 | -64.5 | -173.3 | 177.3 | -172.4 | 0 | 110.6 | E39 E45 I46 | E39-K41 PolarHBondContact O-N 3.36Å; K41-E45 HydrophobicContact CB-CB 4.19Å; K41-I46 HydrophobicContact CB-CD1 4.41Å; K41-I46 HydrophobicContact CB-CG1 3.88Å | ||
| 42 | D | 92.9 | Very high | 81.4 | Confident | 4 Ų | 4 | 52.9 Ų | 52.9 | 2% | 0.021 | 31% | 0.31 | C | S | . | . | trans | -75 | 161.5 | 172.2 | -169.2 | 30.2 | 0 | 0 | 0 | 112.1 | S44 E45 I46 R242 | D42-S44 VanDerWaalsContact C-N 3.27Å; D42-S44 PolarHBondContact O-N 3.49Å; D42-S44 PolarHBondContact OD2-OG 3.3Å; D42-E45 PolarHBondContact N-OE1 3.02Å; D42-E45 WeakPolarHBondContact O-CB 3.4Å; D42-E45 PolarHBondContact O-N 2.97Å; D42-I46 WeakPolarHBondContact O-CG1 3.4Å; D42-I46 PolarHBondContact O-N 3.41Å; D42-R242 VanDerWaalsContact CG-NH2 3.29Å; D42-R242 IonicContact OD1-CZ 3.52Å; D42-R242 IonicContact OD1-NE 3.09Å; D42-R242 PolarHBondContact OD1-NE 3.01Å; D42-R242 IonicContact OD1-NH2 2.72Å; D42-R242 PolarHBondContact OD1-NH2 3.14Å; D42-R242 IonicContact OD2-NH2 2.79Å; D42-R242 PolarHBondContact OD2-NH2 3.12Å; D42-R242 VanDerWaalsContact OD2-NH2 3.15Å | ||
| 43 | I | 96.1 | Very high | 83.7 | Confident | 2 Ų | 2 | 56.4 Ų | 56.4 | 1% | 0.01 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -53.4 | -46.1 | -179.7 | -62.5 | 168 | 0 | 0 | 0 | 110.9 | E45 I46 N47 D58 C128 I152 H155 | I43-E45 VanDerWaalsContact C-N 3.3Å; I43-E45 PolarHBondContact O-N 3.44Å; I43-I46 PolarHBondContact O-N 2.92Å; I43-N47 WeakPolarHBondContact O-CB 3.22Å; I43-N47 PolarHBondContact O-N 3.3Å; I43-D58 HydrophobicContact CG2-CB 3.63Å; I43-D58 VanDerWaalsContact CG2-OD2 3.31Å; I43-D58 WeakPolarHBondContact CG2-OD2 3.24Å; I43-C128 HydrophobicContact CG1-CB 4.37Å; I43-C128 HydrophobicContact CG2-CB 4.01Å; I43-I152 HydrophobicContact CD1-CB 4.44Å; I43-I152 HydrophobicContact CD1-CG1 4.3Å; I43-I152 HydrophobicContact CD1-CG2 3.97Å; I43-I152 HydrophobicContact CG1-CB 4.4Å; I43-I152 HydrophobicContact CG1-CD1 4.2Å; I43-I152 HydrophobicContact CG1-CG1 3.97Å; I43-I152 HydrophobicContact CG1-CG2 3.81Å; I43-H155 HydrophobicContact CD1-CB 4.1Å; I43-H155 VanDerWaalsContact CD1-CD2 3.41Å; I43-H155 WeakPolarHBondContact CD1-CD2 3.44Å |
| 44 | S | 94.4 | Very high | 85.5 | Confident | 6 Ų | 6 | 51.8 Ų | 51.8 | 4% | 0.042 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -57.5 | -39.8 | 178.7 | 57 | 0 | 0 | 0 | 0 | 113 | D42 L48 S218 | D42-S44 VanDerWaalsContact C-N 3.27Å; D42-S44 PolarHBondContact O-N 3.49Å; D42-S44 PolarHBondContact OD2-OG 3.3Å; S44-L48 WeakPolarHBondContact O-CB 3.3Å; S44-L48 PolarHBondContact O-N 3.31Å; S44-S218 PolarHBondContact OG-OG 3.28Å |
| 45 | E | 94 | Very high | 87.2 | Confident | 84 Ų | 84 | 51.7 Ų | 51.7 | 39% | 0.393 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -72.6 | -40.4 | 176.8 | -67.1 | 177.4 | -106.9 | 0 | 0 | 112.6 | K41 D42 I43 A49 | K41-E45 HydrophobicContact CB-CB 4.19Å; D42-E45 PolarHBondContact N-OE1 3.02Å; D42-E45 WeakPolarHBondContact O-CB 3.4Å; D42-E45 PolarHBondContact O-N 2.97Å; I43-E45 VanDerWaalsContact C-N 3.3Å; I43-E45 PolarHBondContact O-N 3.44Å; E45-A49 VanDerWaalsContact O-CB 3.23Å; E45-A49 WeakPolarHBondContact O-CB 3.46Å; E45-A49 PolarHBondContact O-N 3.44Å |
| 46 | I | 94.9 | Very high | 88.8 | Confident | 18 Ų | 18 | 50.8 Ų | 50.8 | 9% | 0.092 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62 | -48 | 178.7 | -65.5 | 166.9 | 0 | 0 | 0 | 109.7 | K41 D42 I43 A49 A50 G146 I152 | K41-I46 HydrophobicContact CB-CD1 4.41Å; K41-I46 HydrophobicContact CB-CG1 3.88Å; D42-I46 WeakPolarHBondContact O-CG1 3.4Å; D42-I46 PolarHBondContact O-N 3.41Å; I43-I46 PolarHBondContact O-N 2.92Å; I46-A49 PolarHBondContact O-N 2.95Å; I46-A50 WeakPolarHBondContact O-CB 3.48Å; I46-A50 PolarHBondContact O-N 3.49Å; I46-G146 VanDerWaalsContact CD1-O 3.3Å; I46-G146 WeakPolarHBondContact CD1-O 3.47Å; I46-I152 HydrophobicContact CD1-CD1 4.32Å |
| 47 | N | 97 | Very high | 90 | Very high | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.005 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -70.1 | -40.4 | -177.6 | -69.5 | -6 | 0 | 0 | 0 | 112.3 | I43 A50 G51 L52 G57 D58 G127 C128 | I43-N47 WeakPolarHBondContact O-CB 3.22Å; I43-N47 PolarHBondContact O-N 3.3Å; N47-A50 CarbonylContact O-C 3.5Å; N47-A50 WeakPolarHBondContact O-CB 3.24Å; N47-A50 PolarHBondContact O-N 3.04Å; N47-G51 PolarHBondContact O-N 2.89Å; N47-L52 HydrophobicContact CB-CB 4.33Å; N47-L52 HydrophobicContact CB-CD1 4.29Å; N47-L52 PolarHBondContact O-N 2.76Å; N47-G57 WeakPolarHBondContact CB-O 3.35Å; N47-G57 PolarHBondContact ND2-O 3.12Å; N47-D58 WeakPolarHBondContact ND2-CB 3.49Å; N47-G127 WeakPolarHBondContact OD1-CA 3.29Å; N47-C128 PolarHBondContact ND2-O 3.4Å; N47-C128 PolarHBondContact OD1-N 3.39Å; N47-C128 PolarHBondContact OD1-O 3.14Å |
| 48 | L | 94.2 | Very high | 91.2 | Very high | 53 Ų | 53 | 45.3 Ų | 45.3 | 28% | 0.277 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -61.2 | -45.1 | 173.8 | -179.8 | 65 | 0 | 0 | 0 | 111.3 | S44 A50 G51 L184 Y187 | S44-L48 WeakPolarHBondContact O-CB 3.3Å; S44-L48 PolarHBondContact O-N 3.31Å; L48-A50 PolarHBondContact O-N 2.94Å; L48-G51 PolarHBondContact O-N 3.45Å; L48-L184 HydrophobicContact CD1-CD1 4.28Å; L48-L184 HydrophobicContact CD2-CD1 3.46Å; L48-L184 VanDerWaalsContact CD2-CD1 3.46Å; L48-Y187 HydrophobicContact CD1-CE1 3.81Å; L48-Y187 HydrophobicContact CD1-CE2 3.88Å; L48-Y187 VanDerWaalsContact CD1-OH 3.29Å; L48-Y187 WeakPolarHBondContact CD1-OH 3.36Å |
| 49 | A | 93.8 | Very high | 92.7 | Very high | 80 Ų | 80 | 42.4 Ų | 42.4 | 66% | 0.661 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -65.3 | -28.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | E45 I46 G51 | E45-A49 VanDerWaalsContact O-CB 3.23Å; E45-A49 WeakPolarHBondContact O-CB 3.46Å; E45-A49 PolarHBondContact O-N 3.44Å; I46-A49 PolarHBondContact O-N 2.95Å; A49-G51 PolarHBondContact O-N 3.28Å |
| 50 | A | 94.1 | Very high | 93.6 | Very high | 37 Ų | 37 | 35.3 Ų | 35.3 | 31% | 0.306 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -5.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | I46 N47 L48 L52 N126 | I46-A50 WeakPolarHBondContact O-CB 3.48Å; I46-A50 PolarHBondContact O-N 3.49Å; N47-A50 CarbonylContact O-C 3.5Å; N47-A50 WeakPolarHBondContact O-CB 3.24Å; N47-A50 PolarHBondContact O-N 3.04Å; L48-A50 PolarHBondContact O-N 2.94Å; A50-L52 VanDerWaalsContact C-N 3.31Å; A50-L52 HydrophobicContact CB-CD1 4.17Å; A50-L52 HydrophobicContact CB-CG 3.97Å; A50-N126 HydrophobicContact CB-CB 4.19Å |
| 51 | G | 93.9 | Very high | 93.9 | Very high | 61 Ų | 61 | 36.2 Ų | 36.2 | 63% | 0.629 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 70.8 | 26.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | N47 L48 A49 | N47-G51 PolarHBondContact O-N 2.89Å; L48-G51 PolarHBondContact O-N 3.45Å; A49-G51 PolarHBondContact O-N 3.28Å |
| 52 | L | 93.3 | Very high | 93 | Very high | 33 Ų | 33 | 35.9 Ų | 35.9 | 17% | 0.173 | 22% | 0.215 | C | C | . | . | trans | -85.5 | 135.4 | 177.6 | -58.4 | 177.1 | 0 | 0 | 0 | 110.1 | N47 A50 L54 N126 | N47-L52 HydrophobicContact CB-CB 4.33Å; N47-L52 HydrophobicContact CB-CD1 4.29Å; N47-L52 PolarHBondContact O-N 2.76Å; A50-L52 VanDerWaalsContact C-N 3.31Å; A50-L52 HydrophobicContact CB-CD1 4.17Å; A50-L52 HydrophobicContact CB-CG 3.97Å; L52-L54 HydrophobicContact CB-CD1 4.29Å; L52-L54 HydrophobicContact CB-CG 4.18Å; L52-L54 HydrophobicContact CD1-CD1 4.16Å; L52-N126 WeakPolarHBondContact CD1-O 3.31Å | ||
| 53 | D | 92.3 | Very high | 91.2 | Very high | 113 Ų | 113 | 43.3 Ų | 43.3 | 60% | 0.604 | 26% | 0.255 | S | S | * | . | trans | -118.9 | 71.1 | 174.9 | -168.2 | 27 | 0 | 0 | 0 | 108.1 | H189 | D53-H189 IonicContact OD1-CE1 2.75Å; D53-H189 PolarHBondContact OD1-CE1 2.87Å; D53-H189 IonicContact OD1-NE2 2.96Å | ||
| 54 | L | 94.1 | Very high | 89.4 | Confident | 24 Ų | 24 | 46.4 Ų | 46.4 | 13% | 0.126 | 28% | 0.277 | C | S | . | . | trans | -93.4 | 157.5 | -179.1 | -63.2 | 172.2 | 0 | 0 | 0 | 110.1 | L52 Q56 G57 L60 W129 | L52-L54 HydrophobicContact CB-CD1 4.29Å; L52-L54 HydrophobicContact CB-CG 4.18Å; L52-L54 HydrophobicContact CD1-CD1 4.16Å; L54-Q56 PolarHBondContact O-N 3.02Å; L54-G57 PolarHBondContact O-N 3.11Å; L54-L60 HydrophobicContact CD2-CD1 3.99Å; L54-W129 HydrophobicContact CD1-CB 3.51Å; L54-W129 HydrophobicContact CD1-CD2 4.5Å; L54-W129 HydrophobicContact CD1-CG 3.63Å | ||
| 55 | F | 94.3 | Very high | 87.7 | Confident | 22 Ų | 22 | 52.7 Ų | 52.7 | 10% | 0.096 | 30% | 0.299 | C | S | . | . | B | Isolated β-bridge | trans | -60.7 | 125.2 | 175.9 | 178.9 | -109 | 0 | 0 | 0 | 109.2 | G57 I59 L61 Y164 Y194 | F55-G57 PolarHBondContact O-N 2.9Å; F55-G57 VanDerWaalsContact O-N 3.09Å; F55-I59 HydrophobicContact CB-CB 4.23Å; F55-I59 HydrophobicContact CB-CG2 4.49Å; F55-I59 WeakPolarHBondContact CB-O 3.34Å; F55-I59 HydrophobicContact CD1-CB 3.91Å; F55-I59 HydrophobicContact CD1-CD1 4.02Å; F55-I59 HydrophobicContact CD1-CG2 3.91Å; F55-I59 HydrophobicContact CE1-CD1 4.34Å; F55-I59 PolarHBondContact N-O 3.2Å; F55-I59 WeakPolarHBondContact O-CA 3.48Å; F55-I59 VanDerWaalsContact O-CB 3.24Å; F55-I59 WeakPolarHBondContact O-CB 3.48Å; F55-I59 PolarHBondContact O-N 3.5Å; F55-L61 HydrophobicContact CB-CD1 3.58Å; F55-L61 HydrophobicContact CB-CD2 4.44Å; F55-L61 HydrophobicContact CB-CG 3.69Å; F55-L61 HydrophobicContact CD1-CD1 4.15Å; F55-L61 HydrophobicContact CD1-CD2 4.1Å; F55-L61 HydrophobicContact CD1-CG 4.25Å; F55-L61 HydrophobicContact CD2-CD1 3.78Å; F55-L61 HydrophobicContact CE2-CD1 4.47Å; F55-L61 HydrophobicContact CG-CD1 3.58Å; F55-L61 HydrophobicContact CG-CD2 4.33Å; F55-L61 HydrophobicContact CG-CG 3.98Å; F55-Y164 HydrophobicContact CD1-CE1 4.26Å; F55-Y164 HydrophobicContact CE1-CD1 4.02Å; F55-Y164 AromaticContact CE1-CE1 3.65Å; F55-Y164 HydrophobicContact CE1-CE1 3.65Å; F55-Y194 HydrophobicContact CE2-CE1 4.02Å; F55-Y194 AromaticContact CE2-CZ 3.65Å; F55-Y194 WeakPolarHBondContact CE2-OH 3.45Å; F55-Y194 AromaticContact CZ-CE1 3.71Å; F55-Y194 HydrophobicContact CZ-CE1 3.71Å; F55-Y194 AromaticContact CZ-CE2 3.9Å; F55-Y194 HydrophobicContact CZ-CE2 3.9Å; F55-Y194 AromaticContact CZ-CZ 3.31Å; F55-Y194 WeakPolarHBondContact CZ-OH 3.36Å |
| 56 | Q | 94.3 | Very high | 85.8 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 51.6 | 33.8 | -174.1 | -46.1 | -158.2 | -65.9 | 0 | 0 | 112.9 | L54 D58 I59 H165 S168 N190 Y214 | L54-Q56 PolarHBondContact O-N 3.02Å; Q56-D58 VanDerWaalsContact C-N 3.26Å; Q56-D58 PolarHBondContact O-N 3.03Å; Q56-D58 VanDerWaalsContact O-N 3.11Å; Q56-I59 HydrophobicContact CB-CD1 4.29Å; Q56-I59 HydrophobicContact CG-CD1 4.5Å; Q56-H165 WeakPolarHBondContact CB-ND1 3.47Å; Q56-H165 PolarHBondContact O-CE1 2.79Å; Q56-H165 VanDerWaalsContact O-CE1 3.28Å; Q56-H165 PolarHBondContact OE1-ND1 3.14Å; Q56-H165 VanDerWaalsContact OE1-ND1 3.15Å; Q56-S168 VanDerWaalsContact NE2-CB 3.34Å; Q56-S168 PolarHBondContact NE2-OG 3.08Å; Q56-N190 WeakPolarHBondContact CA-OD1 3.16Å; Q56-N190 PolarHBondContact N-OD1 3.34Å; Q56-Y214 WeakPolarHBondContact CA-OH 3.45Å; Q56-Y214 PolarHBondContact O-OH 3.23Å |
| 57 | G | 95.7 | Very high | 83.9 | Confident | 3 Ų | 3 | 49.9 Ų | 49.9 | 3% | 0.031 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82.7 | -31.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | N47 L54 F55 N190 | N47-G57 WeakPolarHBondContact CB-O 3.35Å; N47-G57 PolarHBondContact ND2-O 3.12Å; L54-G57 PolarHBondContact O-N 3.11Å; F55-G57 PolarHBondContact O-N 2.9Å; F55-G57 VanDerWaalsContact O-N 3.09Å; G57-N190 PolarHBondContact N-OD1 2.84Å |
| 58 | D | 97.3 | Very high | 82.1 | Confident | 4 Ų | 4 | 50.2 Ų | 50.2 | 2% | 0.021 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -145.8 | 5.9 | -171.9 | 55.5 | 13.5 | 0 | 0 | 0 | 114.6 | I43 N47 Q56 C128 W129 S130 H155 H159 H165 | I43-D58 HydrophobicContact CG2-CB 3.63Å; I43-D58 VanDerWaalsContact CG2-OD2 3.31Å; I43-D58 WeakPolarHBondContact CG2-OD2 3.24Å; N47-D58 WeakPolarHBondContact ND2-CB 3.49Å; Q56-D58 VanDerWaalsContact C-N 3.26Å; Q56-D58 PolarHBondContact O-N 3.03Å; Q56-D58 VanDerWaalsContact O-N 3.11Å; D58-C128 WeakPolarHBondContact CB-O 3.44Å; D58-W129 HydrophobicContact CB-CB 4.31Å; D58-W129 WeakPolarHBondContact O-CA 3.23Å; D58-W129 WeakPolarHBondContact O-CB 3.28Å; D58-S130 PolarHBondContact O-N 2.73Å; D58-S130 VanDerWaalsContact O-N 3.11Å; D58-H155 IonicContact OD2-CD2 3.84Å; D58-H155 IonicContact OD2-NE2 2.88Å; D58-H155 PolarHBondContact OD2-NE2 2.81Å; D58-H159 IonicContact OD1-NE2 2.88Å; D58-H159 PolarHBondContact OD1-NE2 3.09Å; D58-H159 IonicContact OD2-NE2 3.68Å; D58-H165 IonicContact OD1-CE1 3.76Å; D58-H165 PolarHBondContact OD1-CE1 3.23Å; D58-H165 IonicContact OD1-NE2 3.32Å; D58-H165 IonicContact OD2-CE1 3.13Å; D58-H165 IonicContact OD2-NE2 3.75Å; D58-H165 PolarHBondContact OD2-NE2 3Å |
| 59 | I | 96.1 | Very high | 80.7 | Confident | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.005 | 31% | 0.305 | C | S | . | . | B | Isolated β-bridge | trans | -98.8 | 120.8 | 176 | -60.7 | 169 | 0 | 0 | 0 | 109.9 | F55 Q56 L61 S130 V132 Y164 | F55-I59 HydrophobicContact CB-CB 4.23Å; F55-I59 HydrophobicContact CB-CG2 4.49Å; F55-I59 WeakPolarHBondContact CB-O 3.34Å; F55-I59 HydrophobicContact CD1-CB 3.91Å; F55-I59 HydrophobicContact CD1-CD1 4.02Å; F55-I59 HydrophobicContact CD1-CG2 3.91Å; F55-I59 HydrophobicContact CE1-CD1 4.34Å; F55-I59 PolarHBondContact N-O 3.2Å; F55-I59 WeakPolarHBondContact O-CA 3.48Å; F55-I59 VanDerWaalsContact O-CB 3.24Å; F55-I59 WeakPolarHBondContact O-CB 3.48Å; F55-I59 PolarHBondContact O-N 3.5Å; Q56-I59 HydrophobicContact CB-CD1 4.29Å; Q56-I59 HydrophobicContact CG-CD1 4.5Å; I59-L61 HydrophobicContact CG2-CD2 4.06Å; I59-S130 WeakPolarHBondContact CA-O 3.38Å; I59-V132 HydrophobicContact CB-CG2 4.49Å; I59-V132 HydrophobicContact CD1-CG2 4.05Å; I59-V132 HydrophobicContact CG1-CG2 4.15Å; I59-V132 HydrophobicContact CG2-CG2 3.58Å; I59-Y164 HydrophobicContact CD1-CD1 3.49Å; I59-Y164 VanDerWaalsContact CD1-CD1 3.49Å; I59-Y164 HydrophobicContact CD1-CE1 3.82Å |
| 60 | L | 94.2 | Very high | 79.9 | Confident | 32 Ų | 32 | 54 Ų | 54 | 17% | 0.168 | 29% | 0.289 | C | S | . | . | P | Polyproline II helix | trans | -83.7 | 119.7 | 170.8 | -175.1 | 65.9 | 0 | 0 | 0 | 110.2 | L54 W129 S130 E131 L616 | L54-L60 HydrophobicContact CD2-CD1 3.99Å; L60-W129 HydrophobicContact CB-CE3 3.92Å; L60-W129 HydrophobicContact CB-CZ3 4.22Å; L60-W129 HydrophobicContact CD2-CE3 4.03Å; L60-W129 HydrophobicContact CD2-CH2 3.99Å; L60-W129 HydrophobicContact CD2-CZ3 3.47Å; L60-W129 VanDerWaalsContact CD2-CZ3 3.47Å; L60-W129 HydrophobicContact CG-CZ3 4.43Å; L60-S130 PolarHBondContact N-O 2.65Å; L60-E131 HydrophobicContact CB-CG 4.01Å; L60-E131 HydrophobicContact CD2-CG 4.18Å; L60-E131 HydrophobicContact CG-CG 4.31Å; L60-L616 HydrophobicContact CD1-CD2 4.39Å |
| 61 | L | 86.9 | Confident | 79.3 | Confident | 73 Ų | 73 | 56.4 Ų | 56.4 | 38% | 0.382 | 30% | 0.301 | S | S | . | . | P | Polyproline II helix | trans | -99 | 123.2 | 175.6 | -64.2 | 179.1 | 0 | 0 | 0 | 110.5 | F55 I59 | F55-L61 HydrophobicContact CB-CD1 3.58Å; F55-L61 HydrophobicContact CB-CD2 4.44Å; F55-L61 HydrophobicContact CB-CG 3.69Å; F55-L61 HydrophobicContact CD1-CD1 4.15Å; F55-L61 HydrophobicContact CD1-CD2 4.1Å; F55-L61 HydrophobicContact CD1-CG 4.25Å; F55-L61 HydrophobicContact CD2-CD1 3.78Å; F55-L61 HydrophobicContact CE2-CD1 4.47Å; F55-L61 HydrophobicContact CG-CD1 3.58Å; F55-L61 HydrophobicContact CG-CD2 4.33Å; F55-L61 HydrophobicContact CG-CG 3.98Å; I59-L61 HydrophobicContact CG2-CD2 4.06Å |
| 62 | Q | 68.8 | Low | 78.9 | Confident | 103 Ų | 103 | 58.9 Ų | 58.9 | 48% | 0.481 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -92.9 | -55.7 | 176.8 | -71.5 | -154.1 | -0.8 | 0 | 0 | 114.3 | E131 | Q62-E131 VanDerWaalsContact CD-OE1 3.29Å; Q62-E131 WeakPolarHBondContact CG-OE1 3.44Å; Q62-E131 PolarHBondContact NE2-OE1 3.36Å |
| 63 | N | 56.4 | Low | 78.6 | Confident | 160 Ų | 160 | 57.8 Ų | 57.8 | 86% | 0.856 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -151.2 | -13.3 | -174.6 | -74.7 | -56.2 | 0 | 0 | 0 | 115.6 | ||
| 64 | S | 57.9 | Low | 78.6 | Confident | 66 Ų | 66 | 55.6 Ų | 55.6 | 46% | 0.462 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -155.9 | 156.7 | 175.4 | 50.3 | 0 | 0 | 0 | 0 | 110.2 | N66 | S64-N66 VanDerWaalsContact C-N 3.31Å; S64-N66 PolarHBondContact O-N 3.4Å; S64-N66 VanDerWaalsContact O-N 3.08Å; S64-N66 PolarHBondContact OG-ND2 3.12Å; S64-N66 PolarHBondContact OG-OD1 3.41Å |
| 65 | R | 58.8 | Low | 78.7 | Confident | 138 Ų | 138 | 55 Ų | 55 | 52% | 0.521 | 27% | 0.274 | S | S | . | . | trans | -81.4 | 83.8 | 171.7 | -61.5 | -175.7 | -178.1 | 173.7 | -4.5 | 108.3 | Y194 L198 | R65-Y194 VanDerWaalsContact NH1-CE1 3.3Å; R65-L198 HydrophobicContact CB-CD1 3.56Å; R65-L198 HydrophobicContact CB-CD2 4.03Å; R65-L198 HydrophobicContact CB-CG 4.47Å; R65-L198 HydrophobicContact CG-CD2 4.41Å; R65-L198 WeakPolarHBondContact O-CD1 3.13Å | ||
| 66 | N | 53.9 | Low | 78.7 | Confident | 36 Ų | 36 | 62.6 Ų | 62.6 | 19% | 0.193 | 31% | 0.307 | C | S | . | . | trans | -81.3 | 112.8 | 175.9 | -69 | -13.9 | 0 | 0 | 0 | 107.7 | S64 T73 V132 Q135 Y164 | S64-N66 VanDerWaalsContact C-N 3.31Å; S64-N66 PolarHBondContact O-N 3.4Å; S64-N66 VanDerWaalsContact O-N 3.08Å; S64-N66 PolarHBondContact OG-ND2 3.12Å; S64-N66 PolarHBondContact OG-OD1 3.41Å; N66-T73 HydrophobicContact CB-CG2 3.85Å; N66-V132 VanDerWaalsContact O-CG1 3.27Å; N66-V132 WeakPolarHBondContact O-CG1 3.49Å; N66-Q135 PolarHBondContact ND2-OE1 3.01Å; N66-Y164 PolarHBondContact O-OH 3.46Å; N66-Y164 VanDerWaalsContact O-OH 3.07Å | ||
| 67 | G | 54 | Low | 78.8 | Confident | 7 Ų | 7 | 65.5 Ų | 65.5 | 7% | 0.072 | 32% | 0.32 | C | S | . | . | trans | -121.9 | 168.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | R69 D70 Y164 | G67-R69 PolarHBondContact O-N 3.17Å; G67-D70 PolarHBondContact O-N 3.02Å; G67-Y164 VanDerWaalsContact CA-CE2 3.49Å | ||
| 68 | L | 60.4 | Low | 78.9 | Confident | 9 Ų | 9 | 67.8 Ų | 67.8 | 5% | 0.047 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -27.6 | -25 | 176.1 | -155.8 | 79.3 | 0 | 0 | 0 | 117 | R74 G162 F163 T200 L202 M256 | L68-R74 PolarHBondContact O-NH2 3.42Å; L68-G162 WeakPolarHBondContact CA-O 3.49Å; L68-G162 WeakPolarHBondContact CB-O 3.35Å; L68-G162 VanDerWaalsContact CD1-O 3.31Å; L68-G162 WeakPolarHBondContact CD1-O 3.42Å; L68-G162 PolarHBondContact N-O 3.46Å; L68-F163 HydrophobicContact CD1-CD1 4.24Å; L68-F163 HydrophobicContact CD1-CD2 3.84Å; L68-F163 HydrophobicContact CD1-CE1 4.3Å; L68-F163 HydrophobicContact CD1-CE2 3.91Å; L68-F163 HydrophobicContact CD1-CG 3.99Å; L68-F163 HydrophobicContact CD1-CZ 4.13Å; L68-T200 HydrophobicContact CB-CG2 4.03Å; L68-T200 HydrophobicContact CD2-CG2 3.55Å; L68-T200 WeakPolarHBondContact CD2-O 3.48Å; L68-T200 HydrophobicContact CG-CG2 4.01Å; L68-L202 HydrophobicContact CD2-CD1 4.12Å; L68-L202 HydrophobicContact CD2-CG 4.11Å; L68-M256 HydrophobicContact CD1-CE 3.81Å; L68-M256 HydrophobicContact CD1-SD 3.22Å; L68-M256 WeakPolarHBondContact CD1-SD 3.18Å; L68-M256 HydrophobicContact CG-SD 3.62Å |
| 69 | R | 64.6 | Low | 79 | Confident | 152 Ų | 152 | 67.7 Ų | 67.7 | 57% | 0.574 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | -31.5 | -176.2 | -149.8 | -180 | -171.9 | -163.3 | 5.5 | 115.7 | G67 P71 T200 | G67-R69 PolarHBondContact O-N 3.17Å; R69-P71 WeakPolarHBondContact O-CD 3.42Å; R69-T200 HydrophobicContact CB-CG2 4.42Å |
| 70 | D | 76.5 | Confident | 79 | Confident | 61 Ų | 61 | 68.1 Ų | 68.1 | 33% | 0.326 | 34% | 0.336 | S | S | . | . | trans | -75.5 | 111.4 | -179.1 | -172.3 | -4.2 | 0 | 0 | 0 | 109.9 | G67 N72 T73 | G67-D70 PolarHBondContact O-N 3.02Å; D70-N72 PolarHBondContact O-N 2.85Å; D70-N72 VanDerWaalsContact O-N 3.15Å; D70-N72 VanDerWaalsContact OD1-CB 3.3Å; D70-N72 WeakPolarHBondContact OD1-CB 3.44Å; D70-N72 PolarHBondContact OD1-N 2.96Å; D70-N72 PolarHBondContact OD1-ND2 3.4Å; D70-T73 HydrophobicContact CB-CG2 4.09Å; D70-T73 PolarHBondContact O-N 3.09Å; D70-T73 VanDerWaalsContact O-N 3.16Å; D70-T73 PolarHBondContact O-OG1 3.36Å | ||
| 71 | P | 81.4 | Confident | 79.2 | Confident | 86 Ų | 86 | 67.7 Ų | 67.7 | 56% | 0.558 | 33% | 0.333 | S | S | * | . | G | 310 helix | trans | -64.1 | -19.6 | 178.8 | -19.1 | 34.6 | 0 | 0 | 0 | 112.8 | R69 T73 | R69-P71 WeakPolarHBondContact O-CD 3.42Å; P71-T73 VanDerWaalsContact C-N 3.32Å |
| 72 | N | 85.6 | Confident | 79.7 | Confident | 114 Ų | 114 | 64.8 Ų | 64.8 | 61% | 0.61 | 32% | 0.317 | S | S | * | . | G | 310 helix | trans | -70.4 | -30.9 | 177.9 | -59.1 | -56.6 | 0 | 0 | 0 | 111.5 | D70 R74 H136 | D70-N72 PolarHBondContact O-N 2.85Å; D70-N72 VanDerWaalsContact O-N 3.15Å; D70-N72 VanDerWaalsContact OD1-CB 3.3Å; D70-N72 WeakPolarHBondContact OD1-CB 3.44Å; D70-N72 PolarHBondContact OD1-N 2.96Å; D70-N72 PolarHBondContact OD1-ND2 3.4Å; N72-R74 PolarHBondContact O-N 3.25Å; N72-H136 PolarHBondContact O-CE1 2.98Å; N72-H136 PolarHBondContact O-NE2 3.14Å |
| 73 | T | 88.1 | Confident | 81 | Confident | 9 Ų | 9 | 61 Ų | 61 | 6% | 0.055 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -87.6 | 17 | -178.1 | 64.5 | 0 | 0 | 0 | 0 | 112.2 | N66 D70 P71 G133 D134 | N66-T73 HydrophobicContact CB-CG2 3.85Å; D70-T73 HydrophobicContact CB-CG2 4.09Å; D70-T73 PolarHBondContact O-N 3.09Å; D70-T73 VanDerWaalsContact O-N 3.16Å; D70-T73 PolarHBondContact O-OG1 3.36Å; P71-T73 VanDerWaalsContact C-N 3.32Å; T73-G133 CarbonylContact O-C 3.58Å; T73-G133 WeakPolarHBondContact O-CA 3.34Å; T73-D134 PolarHBondContact O-N 3.11Å |
| 74 | R | 91.8 | Very high | 82.7 | Confident | 68 Ų | 68 | 53.3 Ų | 53.3 | 26% | 0.257 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -94.8 | 129.8 | 178.2 | -65.3 | -178.1 | -176.3 | 179.7 | 0.4 | 110.4 | L68 N72 M256 Y257 | L68-R74 PolarHBondContact O-NH2 3.42Å; N72-R74 PolarHBondContact O-N 3.25Å; R74-M256 PolarHBondContact NH1-O 2.71Å; R74-Y257 HydrophobicContact CB-CE1 4Å |
| 75 | W | 95.5 | Very high | 84.2 | Confident | 11 Ų | 11 | 54 Ų | 54 | 4% | 0.042 | 26% | 0.258 | C | S | . | . | P | Polyproline II helix | trans | -55.4 | 144.1 | 170.8 | -72.3 | 95.4 | 0 | 0 | 0 | 113.5 | F77 I79 S118 I120 D134 Q139 A160 Y257 | W75-F77 HydrophobicContact CB-CD1 4.35Å; W75-F77 HydrophobicContact CB-CE1 3.95Å; W75-I79 HydrophobicContact CB-CD1 3.93Å; W75-I79 HydrophobicContact CB-CG1 3.98Å; W75-I79 HydrophobicContact CD2-CD1 4.2Å; W75-I79 HydrophobicContact CD2-CG1 4.3Å; W75-I79 HydrophobicContact CD2-CG2 4.07Å; W75-I79 HydrophobicContact CE3-CG1 4.36Å; W75-I79 HydrophobicContact CE3-CG2 3.76Å; W75-I79 HydrophobicContact CG-CD1 3.82Å; W75-I79 HydrophobicContact CG-CG1 4.15Å; W75-I79 HydrophobicContact CH2-CG2 4.45Å; W75-I79 HydrophobicContact CZ3-CG2 3.97Å; W75-S118 WeakPolarHBondContact CH2-OG 3.22Å; W75-S118 WeakPolarHBondContact CZ3-OG 3.08Å; W75-I120 HydrophobicContact CH2-CG1 3.75Å; W75-I120 HydrophobicContact CZ2-CD1 3.97Å; W75-I120 HydrophobicContact CZ2-CG1 3.51Å; W75-D134 HydrophobicContact CD2-CB 3.73Å; W75-D134 HydrophobicContact CE3-CB 4.25Å; W75-D134 HydrophobicContact CG-CB 3.92Å; W75-D134 HydrophobicContact CZ2-CB 4.2Å; W75-Q139 HydrophobicContact CH2-CG 4.46Å; W75-Q139 HydrophobicContact CZ2-CG 4.1Å; W75-A160 PolarHBondContact NE1-O 2.85Å; W75-Y257 PolarHBondContact N-OH 3.1Å; W75-Y257 WeakPolarHBondContact O-CE1 3.49Å |
| 76 | K | 95.3 | Very high | 85.8 | Confident | 181 Ų | 181 | 50.7 Ų | 50.7 | 79% | 0.787 | 25% | 0.251 | S | S | * | . | P | Polyproline II helix | trans | -92.3 | 135.2 | 162.5 | -65.5 | -178.6 | -176.7 | 174.1 | 0 | 108.9 | P78 | K76-P78 CarbonylContact O-C 3.57Š|
| 77 | F | 95.9 | Very high | 87.6 | Confident | 61 Ų | 61 | 49.4 Ų | 49.4 | 27% | 0.268 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -92.7 | 147 | -179.8 | -55.3 | -31.1 | 0 | 0 | 0 | 112.3 | W75 I79 C107 V108 L161 Y257 | W75-F77 HydrophobicContact CB-CD1 4.35Å; W75-F77 HydrophobicContact CB-CE1 3.95Å; F77-I79 HydrophobicContact CD1-CD1 4.17Å; F77-I79 HydrophobicContact CD1-CG1 3.66Å; F77-I79 HydrophobicContact CE1-CD1 3.9Å; F77-I79 HydrophobicContact CE1-CG1 3.91Å; F77-C107 WeakPolarHBondContact CD2-O 3.22Å; F77-V108 HydrophobicContact CE1-CB 4.49Å; F77-V108 HydrophobicContact CE1-CG1 4.06Å; F77-V108 HydrophobicContact CE1-CG2 4.31Å; F77-V108 HydrophobicContact CE2-CB 4.33Å; F77-V108 HydrophobicContact CE2-CG2 3.9Å; F77-V108 HydrophobicContact CZ-CB 4.15Å; F77-V108 HydrophobicContact CZ-CG1 4.18Å; F77-V108 HydrophobicContact CZ-CG2 3.61Å; F77-L161 HydrophobicContact CE1-CD2 3.9Å; F77-L161 HydrophobicContact CZ-CD2 4.07Å; F77-Y257 HydrophobicContact CD2-CD1 4.44Å; F77-Y257 HydrophobicContact CE1-CD1 4.12Å; F77-Y257 AromaticContact CE1-CE1 3.8Å; F77-Y257 HydrophobicContact CE1-CE1 3.8Å; F77-Y257 AromaticContact CE2-CD1 3.42Å; F77-Y257 HydrophobicContact CE2-CD1 3.42Å; F77-Y257 VanDerWaalsContact CE2-CD1 3.42Å; F77-Y257 HydrophobicContact CE2-CD2 4.28Å; F77-Y257 AromaticContact CE2-CE1 3.98Å; F77-Y257 HydrophobicContact CE2-CE1 3.98Å; F77-Y257 AromaticContact CE2-CG 3.58Å; F77-Y257 HydrophobicContact CE2-CG 3.58Å; F77-Y257 AromaticContact CZ-CD1 3.21Å; F77-Y257 HydrophobicContact CZ-CD1 3.21Å; F77-Y257 AromaticContact CZ-CD2 3.81Å; F77-Y257 HydrophobicContact CZ-CD2 3.81Å; F77-Y257 AromaticContact CZ-CE1 3.29Å; F77-Y257 HydrophobicContact CZ-CE1 3.29Å; F77-Y257 AromaticContact CZ-CE2 3.84Å; F77-Y257 HydrophobicContact CZ-CE2 3.84Å; F77-Y257 AromaticContact CZ-CG 3.48Å; F77-Y257 HydrophobicContact CZ-CG 3.48Å; F77-Y257 VanDerWaalsContact CZ-CG 3.48Å; F77-Y257 AromaticContact CZ-CZ 3.59Å |
| 78 | P | 97.6 | Very high | 89.4 | Confident | 52 Ų | 52 | 50.7 Ų | 50.7 | 34% | 0.338 | 26% | 0.257 | S | S | . | . | S | Bend | cis | -72.7 | 144.1 | -4.3 | 30.7 | -36.3 | 0 | 0 | 0 | 113 | K76 P80 D109 K111 | K76-P78 CarbonylContact O-C 3.57Å; P78-P80 WeakPolarHBondContact O-CD 3.42Å; P78-D109 CarbonylContact C-O 3.47Å; P78-D109 WeakPolarHBondContact CA-O 3.36Å; P78-D109 HydrophobicContact CB-CB 4.02Å; P78-K111 HydrophobicContact CB-CB 4.13Å; P78-K111 HydrophobicContact CB-CG 4Å; P78-K111 HydrophobicContact CG-CB 4.15Å; P78-K111 HydrophobicContact CG-CD 3.73Å; P78-K111 HydrophobicContact CG-CG 3.78Å |
| 79 | I | 98.4 | Very high | 91 | Very high | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 121.4 | 177.5 | -55.9 | -175.9 | 0 | 0 | 0 | 109.2 | W75 F77 V108 D109 F110 K111 I120 L161 | W75-I79 HydrophobicContact CB-CD1 3.93Å; W75-I79 HydrophobicContact CB-CG1 3.98Å; W75-I79 HydrophobicContact CD2-CD1 4.2Å; W75-I79 HydrophobicContact CD2-CG1 4.3Å; W75-I79 HydrophobicContact CD2-CG2 4.07Å; W75-I79 HydrophobicContact CE3-CG1 4.36Å; W75-I79 HydrophobicContact CE3-CG2 3.76Å; W75-I79 HydrophobicContact CG-CD1 3.82Å; W75-I79 HydrophobicContact CG-CG1 4.15Å; W75-I79 HydrophobicContact CH2-CG2 4.45Å; W75-I79 HydrophobicContact CZ3-CG2 3.97Å; F77-I79 HydrophobicContact CD1-CD1 4.17Å; F77-I79 HydrophobicContact CD1-CG1 3.66Å; F77-I79 HydrophobicContact CE1-CD1 3.9Å; F77-I79 HydrophobicContact CE1-CG1 3.91Å; I79-V108 HydrophobicContact CD1-CG1 4.31Å; I79-D109 PolarHBondContact N-O 2.97Å; I79-F110 HydrophobicContact CB-CD1 3.89Å; I79-F110 HydrophobicContact CB-CE1 4.12Å; I79-F110 HydrophobicContact CD1-CE1 3.9Å; I79-F110 HydrophobicContact CD1-CZ 4.37Å; I79-F110 HydrophobicContact CG1-CE1 4.42Å; I79-F110 HydrophobicContact CG2-CD1 4.37Å; I79-F110 HydrophobicContact CG2-CE1 4.46Å; I79-F110 CarbonylContact O-C 3.49Å; I79-F110 WeakPolarHBondContact O-CA 3.48Å; I79-K111 PolarHBondContact O-N 2.82Å; I79-I120 HydrophobicContact CG2-CD1 3.85Å; I79-I120 HydrophobicContact CG2-CG1 4.01Å; I79-L161 HydrophobicContact CD1-CD2 3.79Å |
| 80 | P | 98.1 | Very high | 92.5 | Very high | 10 Ų | 10 | 45.5 Ų | 45.5 | 7% | 0.065 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 133.9 | 173.7 | -12.7 | 28.2 | 0 | 0 | 0 | 110.5 | P78 K111 Y113 E116 Y119 I120 | P78-P80 WeakPolarHBondContact O-CD 3.42Å; P80-K111 CarbonylContact C-O 3.46Å; P80-K111 VanDerWaalsContact CA-O 3.26Å; P80-K111 WeakPolarHBondContact CA-O 3.49Å; P80-Y113 HydrophobicContact CB-CD2 4.25Å; P80-E116 HydrophobicContact CB-CB 4.29Å; P80-E116 HydrophobicContact CB-CG 4.16Å; P80-E116 HydrophobicContact CG-CB 3.81Å; P80-E116 HydrophobicContact CG-CG 3.55Å; P80-Y119 CarbonylContact O-C 3.5Å; P80-Y119 VanDerWaalsContact O-CA 3.28Å; P80-Y119 WeakPolarHBondContact O-CA 3.4Å; P80-Y119 VanDerWaalsContact O-CB 3.31Å; P80-Y119 WeakPolarHBondContact O-CB 3.11Å; P80-I120 PolarHBondContact O-N 3.37Å |
| 81 | Y | 97.6 | Very high | 93.5 | Very high | 24 Ų | 24 | 42.9 Ų | 42.9 | 9% | 0.094 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 156 | 178.8 | 74.4 | -90.3 | 0 | 0 | 0 | 113.7 | L83 L96 F99 F110 K111 Y113 I120 | Y81-L83 HydrophobicContact CD2-CD2 4.06Å; Y81-L83 HydrophobicContact CD2-CG 3.97Å; Y81-L83 HydrophobicContact CE2-CD1 4.23Å; Y81-L83 HydrophobicContact CE2-CD2 4.28Å; Y81-L83 HydrophobicContact CE2-CG 3.84Å; Y81-L96 HydrophobicContact CE2-CD2 4.37Å; Y81-F99 AromaticContact CD1-CE2 3.66Å; Y81-F99 HydrophobicContact CD1-CE2 3.66Å; Y81-F99 HydrophobicContact CD1-CZ 4.15Å; Y81-F99 AromaticContact CD2-CE2 4Å; Y81-F99 HydrophobicContact CD2-CE2 4Å; Y81-F99 HydrophobicContact CD2-CZ 4.32Å; Y81-F99 HydrophobicContact CE1-CD2 4.26Å; Y81-F99 AromaticContact CE1-CE2 3.64Å; Y81-F99 HydrophobicContact CE1-CE2 3.64Å; Y81-F99 HydrophobicContact CE2-CE2 4.01Å; Y81-F99 AromaticContact CG-CE2 3.85Å; Y81-F99 HydrophobicContact CG-CE2 3.85Å; Y81-F99 HydrophobicContact CG-CZ 4.03Å; Y81-F99 AromaticContact CZ-CE2 3.84Å; Y81-F110 HydrophobicContact CD1-CB 3.79Å; Y81-F110 HydrophobicContact CE1-CB 3.98Å; Y81-K111 WeakPolarHBondContact CD1-O 3.41Å; Y81-K111 WeakPolarHBondContact CE1-O 3.27Å; Y81-K111 PolarHBondContact N-O 3.41Å; Y81-Y113 WeakPolarHBondContact O-CB 3.32Å; Y81-Y113 PolarHBondContact O-N 2.75Å; Y81-I120 CarbonylContact C-O 3.47Å; Y81-I120 WeakPolarHBondContact CA-O 3.43Å |
| 82 | I | 96.5 | Very high | 94.2 | Very high | 11 Ų | 11 | 39.1 Ų | 39.1 | 6% | 0.056 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 130.8 | 167.9 | -59.6 | -179.2 | 0 | 0 | 0 | 108.4 | Y113 Y119 I120 I121 F122 V604 T606 | I82-Y113 HydrophobicContact CD1-CD1 3.79Å; I82-Y113 HydrophobicContact CD1-CE1 4.38Å; I82-Y113 HydrophobicContact CD1-CG 3.89Å; I82-Y113 VanDerWaalsContact CG1-CB 3.49Å; I82-Y113 HydrophobicContact CG1-CD1 4.2Å; I82-Y113 HydrophobicContact CG1-CG 3.91Å; I82-Y119 HydrophobicContact CD1-CD2 3.87Å; I82-Y119 HydrophobicContact CD1-CE2 3.56Å; I82-Y119 HydrophobicContact CG1-CD2 4.13Å; I82-Y119 HydrophobicContact CG1-CE2 4.32Å; I82-I120 PolarHBondContact N-O 3.1Å; I82-I121 HydrophobicContact CB-CG1 4.46Å; I82-I121 HydrophobicContact CB-CG2 4.11Å; I82-I121 HydrophobicContact CD1-CG1 4.46Å; I82-I121 HydrophobicContact CG2-CG2 4.19Å; I82-F122 PolarHBondContact O-N 3.07Å; I82-V604 HydrophobicContact CD1-CB 4.46Å; I82-V604 HydrophobicContact CD1-CG1 4.32Å; I82-T606 HydrophobicContact CG2-CG2 4.23Å |
| 83 | L | 96.3 | Very high | 94.8 | Very high | 23 Ų | 23 | 33.9 Ų | 33.9 | 12% | 0.12 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 109.5 | 165.1 | -56.6 | -179.5 | 0 | 0 | 0 | 107.8 | Y81 L87 K92 I95 L96 F122 T602 | Y81-L83 HydrophobicContact CD2-CD2 4.06Å; Y81-L83 HydrophobicContact CD2-CG 3.97Å; Y81-L83 HydrophobicContact CE2-CD1 4.23Å; Y81-L83 HydrophobicContact CE2-CD2 4.28Å; Y81-L83 HydrophobicContact CE2-CG 3.84Å; L83-L87 HydrophobicContact CB-CD1 4.11Å; L83-L87 HydrophobicContact CD2-CD1 4.26Å; L83-K92 HydrophobicContact CB-CG 4.3Å; L83-K92 HydrophobicContact CD1-CB 4.06Å; L83-K92 HydrophobicContact CD1-CG 4.23Å; L83-I95 HydrophobicContact CD2-CB 4.32Å; L83-I95 HydrophobicContact CD2-CD1 3.93Å; L83-I95 HydrophobicContact CD2-CG2 3.86Å; L83-L96 HydrophobicContact CD1-CD2 4.31Å; L83-L96 HydrophobicContact CD1-CG 4.34Å; L83-F122 HydrophobicContact CD2-CB 3.94Å; L83-F122 HydrophobicContact CD2-CD2 4.03Å; L83-F122 HydrophobicContact CD2-CG 4.11Å; L83-T602 WeakPolarHBondContact O-CG2 3.15Å |
| 84 | A | 92.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.172 | C | C | . | . | trans | -72.6 | 160.4 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | N86 L87 K92 I121 F122 Q123 T606 | A84-N86 WeakPolarHBondContact CB-OD1 3.43Å; A84-N86 PolarHBondContact O-N 3.46Å; A84-L87 WeakPolarHBondContact O-CB 3.46Å; A84-L87 PolarHBondContact O-N 3.31Å; A84-L87 VanDerWaalsContact O-N 3.15Å; A84-K92 WeakPolarHBondContact O-CE 3.3Å; A84-I121 HydrophobicContact CB-CG2 4.3Å; A84-F122 WeakPolarHBondContact CB-O 3.48Å; A84-F122 PolarHBondContact N-O 2.85Å; A84-Q123 HydrophobicContact CB-CB 4.32Å; A84-Q123 HydrophobicContact CB-CG 3.69Å; A84-T606 HydrophobicContact CB-CG2 4.36Å | ||
| 85 | D | 88.9 | Confident | 95.6 | Very high | 80 Ų | 80 | 30.2 Ų | 30.2 | 43% | 0.428 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -26.9 | -177 | -67.9 | -57.7 | 0 | 0 | 0 | 113.1 | L87 T602 T606 | D85-L87 VanDerWaalsContact C-N 3.26Å; D85-L87 PolarHBondContact O-N 3.03Å; D85-T602 HydrophobicContact CB-CG2 4.24Å; D85-T602 VanDerWaalsContact CG-OG1 3.28Å; D85-T602 VanDerWaalsContact OD1-CB 3.29Å; D85-T602 WeakPolarHBondContact OD1-CB 3.23Å; D85-T602 WeakPolarHBondContact OD1-CG2 3.39Å; D85-T602 PolarHBondContact OD1-OG1 3.29Å; D85-T602 PolarHBondContact OD2-OG1 2.71Å; D85-T606 PolarHBondContact OD2-OG1 3Å |
| 86 | N | 91.9 | Very high | 95.7 | Very high | 69 Ų | 69 | 31.7 Ų | 31.7 | 37% | 0.369 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -4.3 | 179.1 | 67.7 | -35.3 | 0 | 0 | 0 | 113.5 | A84 Q124 | A84-N86 WeakPolarHBondContact CB-OD1 3.43Å; A84-N86 PolarHBondContact O-N 3.46Å; N86-Q124 PolarHBondContact ND2-N 2.78Å; N86-Q124 PolarHBondContact ND2-O 2.99Å; N86-Q124 WeakPolarHBondContact O-CB 3.27Å; N86-Q124 PolarHBondContact O-OE1 3.24Å |
| 87 | L | 92.6 | Very high | 95.8 | Very high | 8 Ų | 8 | 25 Ų | 25 | 4% | 0.042 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -74.8 | 131.8 | 170.9 | -74.8 | 171.5 | 0 | 0 | 0 | 110.8 | L83 A84 D85 A91 K92 I95 F122 Q124 I143 | L83-L87 HydrophobicContact CB-CD1 4.11Å; L83-L87 HydrophobicContact CD2-CD1 4.26Å; A84-L87 WeakPolarHBondContact O-CB 3.46Å; A84-L87 PolarHBondContact O-N 3.31Å; A84-L87 VanDerWaalsContact O-N 3.15Å; D85-L87 VanDerWaalsContact C-N 3.26Å; D85-L87 PolarHBondContact O-N 3.03Å; L87-A91 HydrophobicContact CD2-CB 4.22Å; L87-K92 HydrophobicContact CB-CG 3.86Å; L87-K92 HydrophobicContact CD1-CG 4.21Å; L87-I95 HydrophobicContact CD1-CD1 3.93Å; L87-F122 HydrophobicContact CD1-CB 3.75Å; L87-F122 WeakPolarHBondContact CD1-O 3.15Å; L87-Q124 HydrophobicContact CD2-CB 4.25Å; L87-I143 HydrophobicContact CD2-CB 4.11Å |
| 88 | G | 91.8 | Very high | 95.9 | Very high | 34 Ų | 34 | 22.1 Ų | 22.1 | 35% | 0.351 | 13% | 0.126 | S | C | . | . | trans | -56.5 | 148.8 | 166.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | N90 A91 K92 | G88-N90 VanDerWaalsContact C-N 3.25Å; G88-N90 PolarHBondContact O-N 2.93Å; G88-A91 WeakPolarHBondContact O-CB 3.25Å; G88-A91 PolarHBondContact O-N 2.77Å; G88-A91 VanDerWaalsContact O-N 3.12Å; G88-K92 PolarHBondContact O-N 2.81Å; G88-K92 VanDerWaalsContact O-N 3.15Å | ||
| 89 | L | 94.6 | Very high | 96 | Very high | 31 Ų | 31 | 19.7 Ų | 19.7 | 16% | 0.162 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -59.5 | -37.4 | -177 | -169.7 | 59.8 | 0 | 0 | 0 | 112.4 | K92 G93 N503 T528 I596 L599 | L89-K92 PolarHBondContact O-N 3.31Å; L89-G93 PolarHBondContact O-N 3.28Å; L89-N503 HydrophobicContact CD2-CB 3.58Å; L89-N503 WeakPolarHBondContact CD2-OD1 3.25Å; L89-T528 HydrophobicContact CD2-CG2 4.17Å; L89-T528 HydrophobicContact CG-CG2 4.43Å; L89-I596 HydrophobicContact CD1-CD1 4.19Å; L89-I596 HydrophobicContact CD1-CG1 4.39Å; L89-I596 HydrophobicContact CD2-CD1 4.35Å; L89-I596 HydrophobicContact CD2-CG1 4.18Å; L89-I596 HydrophobicContact CG-CD1 3.69Å; L89-I596 HydrophobicContact CG-CG1 4.01Å; L89-I596 WeakPolarHBondContact O-CD1 3.37Å; L89-L599 HydrophobicContact CD1-CB 3.74Å |
| 90 | N | 95.8 | Very high | 95.9 | Very high | 22 Ų | 22 | 21 Ų | 21 | 12% | 0.118 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -61 | -46.9 | 175.2 | -167.2 | 57.4 | 0 | 0 | 0 | 112.5 | G88 K92 G93 A94 D148 Q505 V526 F527 T528 | G88-N90 VanDerWaalsContact C-N 3.25Å; G88-N90 PolarHBondContact O-N 2.93Å; N90-K92 VanDerWaalsContact C-N 3.31Å; N90-K92 PolarHBondContact O-N 3.37Å; N90-G93 PolarHBondContact O-N 2.96Å; N90-A94 WeakPolarHBondContact O-CB 3.48Å; N90-A94 PolarHBondContact O-N 3.31Å; N90-D148 PolarHBondContact ND2-OD2 3.3Å; N90-Q505 PolarHBondContact O-NE2 3.09Å; N90-Q505 VanDerWaalsContact O-NE2 3.13Å; N90-Q505 PolarHBondContact OD1-NE2 2.72Å; N90-V526 PolarHBondContact ND2-O 2.91Å; N90-F527 WeakPolarHBondContact OD1-CA 3.27Å; N90-T528 VanDerWaalsContact CA-OG1 3.26Å; N90-T528 WeakPolarHBondContact CA-OG1 3.46Å; N90-T528 WeakPolarHBondContact CB-OG1 3.15Å; N90-T528 PolarHBondContact OD1-N 3.16Å; N90-T528 VanDerWaalsContact OD1-N 3.14Å; N90-T528 PolarHBondContact OD1-OG1 2.73Å |
| 91 | A | 96.6 | Very high | 95.9 | Very high | 6 Ų | 6 | 21.9 Ų | 21.9 | 5% | 0.05 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -59.6 | -42.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | L87 G88 G93 A94 I95 I143 D148 | L87-A91 HydrophobicContact CD2-CB 4.22Å; G88-A91 WeakPolarHBondContact O-CB 3.25Å; G88-A91 PolarHBondContact O-N 2.77Å; G88-A91 VanDerWaalsContact O-N 3.12Å; A91-G93 PolarHBondContact O-N 3.09Å; A91-A94 PolarHBondContact O-N 3.25Å; A91-I95 WeakPolarHBondContact O-CB 3.31Å; A91-I95 WeakPolarHBondContact O-CD1 3.43Å; A91-I95 WeakPolarHBondContact O-CG1 3.08Å; A91-I95 PolarHBondContact O-N 3.32Å; A91-I143 HydrophobicContact CB-CG2 4.06Å; A91-D148 HydrophobicContact CB-CB 3.85Å |
| 92 | K | 97.1 | Very high | 95.9 | Very high | 6 Ų | 6 | 20.8 Ų | 20.8 | 3% | 0.026 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -57.9 | -49.3 | 175.7 | -66.8 | -176.8 | 176.7 | 178.5 | 0 | 111.8 | L83 A84 L87 G88 L89 N90 I95 L96 L599 | L83-K92 HydrophobicContact CB-CG 4.3Å; L83-K92 HydrophobicContact CD1-CB 4.06Å; L83-K92 HydrophobicContact CD1-CG 4.23Å; A84-K92 WeakPolarHBondContact O-CE 3.3Å; L87-K92 HydrophobicContact CB-CG 3.86Å; L87-K92 HydrophobicContact CD1-CG 4.21Å; G88-K92 PolarHBondContact O-N 2.81Å; G88-K92 VanDerWaalsContact O-N 3.15Å; L89-K92 PolarHBondContact O-N 3.31Å; N90-K92 VanDerWaalsContact C-N 3.31Å; N90-K92 PolarHBondContact O-N 3.37Å; K92-I95 PolarHBondContact O-N 2.95Å; K92-L96 WeakPolarHBondContact O-CG 3.34Å; K92-L96 PolarHBondContact O-N 2.76Å; K92-L599 HydrophobicContact CB-CB 4.33Å; K92-L599 HydrophobicContact CB-CD1 4.18Å; K92-L599 HydrophobicContact CD-CB 4.23Å; K92-L599 WeakPolarHBondContact CD-O 3.44Å; K92-L599 PolarHBondContact NZ-O 2.98Å |
| 93 | G | 96.8 | Very high | 96 | Very high | 4 Ų | 4 | 22.1 Ų | 22.1 | 4% | 0.041 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -64.9 | -40.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | L89 N90 A91 I95 L96 Y97 | L89-G93 PolarHBondContact O-N 3.28Å; N90-G93 PolarHBondContact O-N 2.96Å; A91-G93 PolarHBondContact O-N 3.09Å; G93-I95 VanDerWaalsContact C-N 3.35Å; G93-I95 PolarHBondContact O-N 3.44Å; G93-L96 PolarHBondContact O-N 2.78Å; G93-Y97 PolarHBondContact O-N 3.37Å |
| 94 | A | 97.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -64.4 | -36.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | N90 A91 Y97 A98 D148 I153 | N90-A94 WeakPolarHBondContact O-CB 3.48Å; N90-A94 PolarHBondContact O-N 3.31Å; A91-A94 PolarHBondContact O-N 3.25Å; A94-Y97 WeakPolarHBondContact O-CB 3.35Å; A94-Y97 PolarHBondContact O-N 3.04Å; A94-A98 PolarHBondContact O-N 2.85Å; A94-D148 WeakPolarHBondContact CB-O 3.26Å; A94-I153 HydrophobicContact CB-CD1 3.61Å |
| 95 | I | 98.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -64.4 | -46.3 | 173.9 | -68.4 | 158.1 | 0 | 0 | 0 | 110.7 | L83 L87 A91 K92 G93 Y97 A98 F99 F122 I143 I153 | L83-I95 HydrophobicContact CD2-CB 4.32Å; L83-I95 HydrophobicContact CD2-CD1 3.93Å; L83-I95 HydrophobicContact CD2-CG2 3.86Å; L87-I95 HydrophobicContact CD1-CD1 3.93Å; A91-I95 WeakPolarHBondContact O-CB 3.31Å; A91-I95 WeakPolarHBondContact O-CD1 3.43Å; A91-I95 WeakPolarHBondContact O-CG1 3.08Å; A91-I95 PolarHBondContact O-N 3.32Å; K92-I95 PolarHBondContact O-N 2.95Å; G93-I95 VanDerWaalsContact C-N 3.35Å; G93-I95 PolarHBondContact O-N 3.44Å; I95-Y97 VanDerWaalsContact C-N 3.26Å; I95-Y97 PolarHBondContact O-N 3.18Å; I95-A98 WeakPolarHBondContact O-CB 3.34Å; I95-A98 PolarHBondContact O-N 2.97Å; I95-F99 HydrophobicContact CG2-CD1 4.29Å; I95-F99 HydrophobicContact CG2-CE1 3.62Å; I95-F99 HydrophobicContact CG2-CE2 3.96Å; I95-F99 HydrophobicContact CG2-CZ 3.43Å; I95-F99 VanDerWaalsContact CG2-CZ 3.43Å; I95-F99 WeakPolarHBondContact O-CD1 2.99Å; I95-F99 WeakPolarHBondContact O-CG 3.32Å; I95-F99 PolarHBondContact O-N 3.22Å; I95-F122 HydrophobicContact CD1-CB 3.8Å; I95-F122 HydrophobicContact CD1-CD1 3.73Å; I95-F122 HydrophobicContact CD1-CG 3.93Å; I95-F122 HydrophobicContact CG1-CD1 4.04Å; I95-F122 HydrophobicContact CG1-CE1 4.47Å; I95-F122 HydrophobicContact CG2-CD1 4.02Å; I95-F122 HydrophobicContact CG2-CD2 4.42Å; I95-F122 HydrophobicContact CG2-CE1 3.95Å; I95-F122 HydrophobicContact CG2-CE2 4.37Å; I95-F122 HydrophobicContact CG2-CG 4.26Å; I95-F122 HydrophobicContact CG2-CZ 4.14Å; I95-I143 HydrophobicContact CD1-CG1 4.1Å; I95-I143 HydrophobicContact CG1-CG1 4.35Å; I95-I153 HydrophobicContact CB-CG2 4.46Å; I95-I153 HydrophobicContact CG1-CD1 3.99Å; I95-I153 HydrophobicContact CG1-CG1 4.34Å; I95-I153 HydrophobicContact CG1-CG2 4Å |
| 96 | L | 97.9 | Very high | 96.7 | Very high | 43 Ų | 43 | 18.1 Ų | 18.1 | 23% | 0.225 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -63.8 | -34.3 | 176.6 | -64.2 | -179.9 | 0 | 0 | 0 | 111.9 | Y81 L83 K92 G93 F99 E100 L599 | Y81-L96 HydrophobicContact CE2-CD2 4.37Å; L83-L96 HydrophobicContact CD1-CD2 4.31Å; L83-L96 HydrophobicContact CD1-CG 4.34Å; K92-L96 WeakPolarHBondContact O-CG 3.34Å; K92-L96 PolarHBondContact O-N 2.76Å; G93-L96 PolarHBondContact O-N 2.78Å; L96-F99 HydrophobicContact CD2-CD2 3.81Å; L96-F99 HydrophobicContact CD2-CE2 3.97Å; L96-F99 WeakPolarHBondContact O-CB 3.39Å; L96-F99 PolarHBondContact O-N 3.28Å; L96-E100 PolarHBondContact O-N 3.12Å; L96-L599 HydrophobicContact CD1-CD1 3.77Å; L96-L599 HydrophobicContact CD1-CD2 3.77Å; L96-L599 HydrophobicContact CD1-CG 4.44Å |
| 97 | Y | 97.7 | Very high | 96.9 | Very high | 41 Ų | 41 | 15.9 Ų | 15.9 | 16% | 0.161 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -65.3 | -43.1 | 173 | -179.5 | -134.8 | 0 | 0 | 0 | 112.1 | G93 A94 I95 F99 E100 M101 K150 I507 S524 V526 | G93-Y97 PolarHBondContact O-N 3.37Å; A94-Y97 WeakPolarHBondContact O-CB 3.35Å; A94-Y97 PolarHBondContact O-N 3.04Å; I95-Y97 VanDerWaalsContact C-N 3.26Å; I95-Y97 PolarHBondContact O-N 3.18Å; Y97-F99 VanDerWaalsContact C-N 3.32Å; Y97-F99 PolarHBondContact O-N 3.4Å; Y97-E100 WeakPolarHBondContact O-CB 3.16Å; Y97-E100 PolarHBondContact O-N 3.42Å; Y97-E100 VanDerWaalsContact O-N 3.16Å; Y97-M101 HydrophobicContact CD2-CE 4.39Å; Y97-M101 HydrophobicContact CE2-CE 3.87Å; Y97-M101 PolarHBondContact O-N 2.97Å; Y97-K150 HydrophobicContact CD1-CB 4.24Å; Y97-K150 HydrophobicContact CD1-CD 3.94Å; Y97-K150 HydrophobicContact CD1-CG 4.04Å; Y97-K150 HydrophobicContact CE1-CB 4.3Å; Y97-K150 HydrophobicContact CE1-CD 3.47Å; Y97-K150 VanDerWaalsContact CE1-CD 3.47Å; Y97-K150 HydrophobicContact CE1-CG 4.07Å; Y97-I507 HydrophobicContact CD1-CD1 4.43Å; Y97-I507 HydrophobicContact CD2-CD1 4.27Å; Y97-I507 HydrophobicContact CE1-CG2 3.99Å; Y97-I507 HydrophobicContact CG-CD1 4.2Å; Y97-S524 PolarHBondContact OH-OG 2.77Å; Y97-S524 VanDerWaalsContact OH-OG 3.09Å; Y97-V526 HydrophobicContact CD1-CG2 4.09Å; Y97-V526 HydrophobicContact CE1-CG2 4.3Å |
| 98 | A | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -61.1 | -38.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | A94 I95 E100 M101 F102 I153 E154 | A94-A98 PolarHBondContact O-N 2.85Å; I95-A98 WeakPolarHBondContact O-CB 3.34Å; I95-A98 PolarHBondContact O-N 2.97Å; A98-E100 VanDerWaalsContact C-N 3.26Å; A98-E100 PolarHBondContact O-N 3.39Å; A98-M101 WeakPolarHBondContact O-CB 3.47Å; A98-M101 PolarHBondContact O-N 3.22Å; A98-F102 WeakPolarHBondContact O-CD2 3.36Å; A98-F102 PolarHBondContact O-N 3.1Å; A98-I153 HydrophobicContact CB-CB 4.17Å; A98-I153 HydrophobicContact CB-CG2 3.75Å; A98-E154 HydrophobicContact CB-CG 4.04Å |
| 99 | F | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -58.8 | -37.2 | 174.5 | -65.9 | -10.5 | 0 | 0 | 0 | 112.6 | Y81 I95 L96 Y97 M101 F102 R103 F110 F122 I157 | Y81-F99 AromaticContact CD1-CE2 3.66Å; Y81-F99 HydrophobicContact CD1-CE2 3.66Å; Y81-F99 HydrophobicContact CD1-CZ 4.15Å; Y81-F99 AromaticContact CD2-CE2 4Å; Y81-F99 HydrophobicContact CD2-CE2 4Å; Y81-F99 HydrophobicContact CD2-CZ 4.32Å; Y81-F99 HydrophobicContact CE1-CD2 4.26Å; Y81-F99 AromaticContact CE1-CE2 3.64Å; Y81-F99 HydrophobicContact CE1-CE2 3.64Å; Y81-F99 HydrophobicContact CE2-CE2 4.01Å; Y81-F99 AromaticContact CG-CE2 3.85Å; Y81-F99 HydrophobicContact CG-CE2 3.85Å; Y81-F99 HydrophobicContact CG-CZ 4.03Å; Y81-F99 AromaticContact CZ-CE2 3.84Å; I95-F99 HydrophobicContact CG2-CD1 4.29Å; I95-F99 HydrophobicContact CG2-CE1 3.62Å; I95-F99 HydrophobicContact CG2-CE2 3.96Å; I95-F99 HydrophobicContact CG2-CZ 3.43Å; I95-F99 VanDerWaalsContact CG2-CZ 3.43Å; I95-F99 WeakPolarHBondContact O-CD1 2.99Å; I95-F99 WeakPolarHBondContact O-CG 3.32Å; I95-F99 PolarHBondContact O-N 3.22Å; L96-F99 HydrophobicContact CD2-CD2 3.81Å; L96-F99 HydrophobicContact CD2-CE2 3.97Å; L96-F99 WeakPolarHBondContact O-CB 3.39Å; L96-F99 PolarHBondContact O-N 3.28Å; Y97-F99 VanDerWaalsContact C-N 3.32Å; Y97-F99 PolarHBondContact O-N 3.4Å; F99-M101 VanDerWaalsContact C-N 3.29Å; F99-M101 PolarHBondContact O-N 2.73Å; F99-F102 PolarHBondContact O-N 3.23Å; F99-R103 WeakPolarHBondContact O-CG 3.28Å; F99-R103 PolarHBondContact O-N 2.76Å; F99-F110 HydrophobicContact CB-CD2 3.79Å; F99-F110 HydrophobicContact CB-CE2 4.32Å; F99-F110 HydrophobicContact CB-CG 4.4Å; F99-F110 HydrophobicContact CD1-CB 4.44Å; F99-F110 AromaticContact CD1-CD1 3.94Å; F99-F110 HydrophobicContact CD1-CD1 3.94Å; F99-F110 AromaticContact CD1-CD2 3.49Å; F99-F110 HydrophobicContact CD1-CD2 3.49Å; F99-F110 VanDerWaalsContact CD1-CD2 3.49Å; F99-F110 HydrophobicContact CD1-CE1 4.04Å; F99-F110 AromaticContact CD1-CE2 3.61Å; F99-F110 HydrophobicContact CD1-CE2 3.61Å; F99-F110 AromaticContact CD1-CG 3.68Å; F99-F110 HydrophobicContact CD1-CG 3.68Å; F99-F110 AromaticContact CD1-CZ 3.89Å; F99-F110 HydrophobicContact CD1-CZ 3.89Å; F99-F110 HydrophobicContact CD2-CB 3.75Å; F99-F110 HydrophobicContact CD2-CD2 4.15Å; F99-F110 AromaticContact CD2-CG 3.9Å; F99-F110 HydrophobicContact CD2-CG 3.9Å; F99-F110 AromaticContact CE1-CD1 3.6Å; F99-F110 HydrophobicContact CE1-CD1 3.6Å; F99-F110 HydrophobicContact CE1-CD2 4.05Å; F99-F110 AromaticContact CE1-CE1 3.71Å; F99-F110 HydrophobicContact CE1-CE1 3.71Å; F99-F110 HydrophobicContact CE1-CE2 4.16Å; F99-F110 AromaticContact CE1-CG 3.79Å; F99-F110 HydrophobicContact CE1-CG 3.79Å; F99-F110 HydrophobicContact CE1-CZ 4.01Å; F99-F110 HydrophobicContact CE2-CB 3.86Å; F99-F110 HydrophobicContact CE2-CD1 4.26Å; F99-F110 HydrophobicContact CE2-CG 4.01Å; F99-F110 HydrophobicContact CG-CB 4.06Å; F99-F110 HydrophobicContact CG-CD1 4.41Å; F99-F110 AromaticContact CG-CD2 3.55Å; F99-F110 HydrophobicContact CG-CD2 3.55Å; F99-F110 HydrophobicContact CG-CE2 4.1Å; F99-F110 AromaticContact CG-CG 3.74Å; F99-F110 HydrophobicContact CG-CG 3.74Å; F99-F110 HydrophobicContact CZ-CB 4.24Å; F99-F110 AromaticContact CZ-CD1 3.77Å; F99-F110 HydrophobicContact CZ-CD1 3.77Å; F99-F110 HydrophobicContact CZ-CE1 4.3Å; F99-F110 AromaticContact CZ-CG 3.95Å; F99-F110 HydrophobicContact CZ-CG 3.95Å; F99-F122 HydrophobicContact CE1-CE2 4.13Å; F99-F122 AromaticContact CE1-CZ 3.75Å; F99-F122 HydrophobicContact CE1-CZ 3.75Å; F99-F122 AromaticContact CZ-CE2 3.69Å; F99-F122 HydrophobicContact CZ-CE2 3.69Å; F99-F122 AromaticContact CZ-CZ 3.8Å; F99-F122 HydrophobicContact CZ-CZ 3.8Å; F99-I157 HydrophobicContact CD1-CD1 4.03Å; F99-I157 HydrophobicContact CE1-CD1 3.76Å |
| 100 | E | 97.4 | Very high | 97.6 | Very high | 30 Ų | 30 | 14.3 Ų | 14.3 | 14% | 0.14 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -65.9 | -31.3 | 176.2 | -67.4 | -65.1 | 138.5 | 0 | 0 | 112.1 | L96 Y97 A98 R103 L104 R339 | L96-E100 PolarHBondContact O-N 3.12Å; Y97-E100 WeakPolarHBondContact O-CB 3.16Å; Y97-E100 PolarHBondContact O-N 3.42Å; Y97-E100 VanDerWaalsContact O-N 3.16Å; A98-E100 VanDerWaalsContact C-N 3.26Å; A98-E100 PolarHBondContact O-N 3.39Å; E100-R103 PolarHBondContact O-N 3.32Å; E100-R103 IonicContact OE1-CZ 2.81Å; E100-R103 IonicContact OE1-NH1 3.95Å; E100-R103 PolarHBondContact OE1-NH1 3.4Å; E100-L104 VanDerWaalsContact O-CB 3.26Å; E100-L104 WeakPolarHBondContact O-CB 3.48Å; E100-L104 PolarHBondContact O-N 3.37Å; E100-R339 IonicContact OE1-CZ 2.73Å; E100-R339 IonicContact OE1-NH1 3.42Å; E100-R339 PolarHBondContact OE1-NH1 3.06Å; E100-R339 IonicContact OE1-NH2 3.53Å; E100-R339 PolarHBondContact OE1-NH2 2.84Å; E100-R339 IonicContact OE2-CZ 3.59Å; E100-R339 IonicContact OE2-NH1 3.99Å; E100-R339 PolarHBondContact OE2-NH1 2.85Å; E100-R339 IonicContact OE2-NH2 3.73Å |
| 101 | M | 97.9 | Very high | 97.7 | Very high | 27 Ų | 27 | 15.8 Ų | 15.8 | 13% | 0.133 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -68.2 | -43 | 174.4 | -62.9 | -54 | 98.4 | 0 | 0 | 111.6 | Y97 A98 F99 R103 L104 K105 K150 E154 F245 | Y97-M101 HydrophobicContact CD2-CE 4.39Å; Y97-M101 HydrophobicContact CE2-CE 3.87Å; Y97-M101 PolarHBondContact O-N 2.97Å; A98-M101 WeakPolarHBondContact O-CB 3.47Å; A98-M101 PolarHBondContact O-N 3.22Å; F99-M101 VanDerWaalsContact C-N 3.29Å; F99-M101 PolarHBondContact O-N 2.73Å; M101-R103 PolarHBondContact O-N 3.05Å; M101-L104 PolarHBondContact O-N 3.48Å; M101-K105 WeakPolarHBondContact O-CB 3.13Å; M101-K105 WeakPolarHBondContact O-CG 3.44Å; M101-K105 PolarHBondContact O-N 3.02Å; M101-K150 HydrophobicContact CG-CD 3.97Å; M101-E154 VanDerWaalsContact CB-OE1 3.27Å; M101-E154 WeakPolarHBondContact CB-OE1 2.98Å; M101-E154 VanDerWaalsContact CG-OE1 3.23Å; M101-E154 WeakPolarHBondContact CG-OE1 3.43Å; M101-F245 HydrophobicContact CB-CE2 4.18Å |
| 102 | F | 98.5 | Very high | 97.6 | Very high | 1 Ų | 1 | 17.9 Ų | 17.9 | 0% | 0.004 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -58.9 | -46.2 | 172.3 | -82.2 | -76.8 | 0 | 0 | 0 | 112 | A98 F99 L104 K105 S106 V108 F110 E154 I157 L158 L161 F245 L253 | A98-F102 WeakPolarHBondContact O-CD2 3.36Å; A98-F102 PolarHBondContact O-N 3.1Å; F99-F102 PolarHBondContact O-N 3.23Å; F102-L104 VanDerWaalsContact C-N 3.29Å; F102-L104 PolarHBondContact O-N 3.3Å; F102-K105 PolarHBondContact O-N 3.19Å; F102-S106 CarbonylContact O-C 3.59Å; F102-S106 WeakPolarHBondContact O-CA 3.33Å; F102-S106 WeakPolarHBondContact O-CB 3.34Å; F102-S106 PolarHBondContact O-N 2.81Å; F102-S106 PolarHBondContact O-OG 2.93Å; F102-V108 HydrophobicContact CB-CB 4.18Å; F102-V108 HydrophobicContact CB-CG1 4.38Å; F102-V108 HydrophobicContact CD1-CB 3.97Å; F102-V108 HydrophobicContact CD1-CG1 4.1Å; F102-V108 HydrophobicContact CD1-CG2 4.13Å; F102-V108 HydrophobicContact CG-CB 4.42Å; F102-V108 HydrophobicContact CG-CG1 4.39Å; F102-F110 HydrophobicContact CB-CE2 3.9Å; F102-F110 HydrophobicContact CD2-CE2 4.05Å; F102-F110 HydrophobicContact CD2-CZ 4.28Å; F102-F110 HydrophobicContact CG-CE2 4.04Å; F102-F110 HydrophobicContact CG-CZ 4.45Å; F102-E154 HydrophobicContact CE2-CG 4.32Å; F102-I157 HydrophobicContact CD2-CD1 4.47Å; F102-I157 HydrophobicContact CD2-CG2 4.24Å; F102-I157 HydrophobicContact CE1-CG2 4.08Å; F102-I157 HydrophobicContact CE2-CB 3.72Å; F102-I157 HydrophobicContact CE2-CD1 3.87Å; F102-I157 HydrophobicContact CE2-CG1 4.41Å; F102-I157 HydrophobicContact CE2-CG2 3.41Å; F102-I157 VanDerWaalsContact CE2-CG2 3.41Å; F102-I157 HydrophobicContact CZ-CB 3.74Å; F102-I157 HydrophobicContact CZ-CG2 3.3Å; F102-L158 HydrophobicContact CE1-CD2 4.29Å; F102-L158 HydrophobicContact CZ-CG 4.47Å; F102-L161 HydrophobicContact CD1-CD1 4.25Å; F102-L161 HydrophobicContact CE1-CD1 3.52Å; F102-L161 HydrophobicContact CZ-CD1 4.05Å; F102-F245 HydrophobicContact CD1-CZ 4.03Å; F102-F245 HydrophobicContact CD2-CZ 4.04Å; F102-F245 AromaticContact CE1-CE1 3.96Å; F102-F245 HydrophobicContact CE1-CE1 3.96Å; F102-F245 HydrophobicContact CE1-CE2 4.43Å; F102-F245 AromaticContact CE1-CZ 3.56Å; F102-F245 HydrophobicContact CE1-CZ 3.56Å; F102-F245 HydrophobicContact CE2-CE1 4.36Å; F102-F245 HydrophobicContact CE2-CE2 4.49Å; F102-F245 AromaticContact CE2-CZ 3.57Å; F102-F245 HydrophobicContact CE2-CZ 3.57Å; F102-F245 HydrophobicContact CG-CZ 4.25Å; F102-F245 AromaticContact CZ-CE1 3.72Å; F102-F245 HydrophobicContact CZ-CE1 3.72Å; F102-F245 HydrophobicContact CZ-CE2 4.43Å; F102-F245 AromaticContact CZ-CZ 3.31Å; F102-F245 HydrophobicContact CZ-CZ 3.31Å; F102-L253 HydrophobicContact CD1-CD2 4.09Å; F102-L253 HydrophobicContact CE1-CD2 3.97Å |
| 103 | R | 98.1 | Very high | 97.6 | Very high | 39 Ų | 39 | 20.4 Ų | 20.4 | 15% | 0.147 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -62.9 | -34 | 178 | -74.1 | 169.5 | 174 | 148.8 | 7.4 | 113.1 | F99 E100 M101 D109 F110 H263 T264 | F99-R103 WeakPolarHBondContact O-CG 3.28Å; F99-R103 PolarHBondContact O-N 2.76Å; E100-R103 PolarHBondContact O-N 3.32Å; E100-R103 IonicContact OE1-CZ 2.81Å; E100-R103 IonicContact OE1-NH1 3.95Å; E100-R103 PolarHBondContact OE1-NH1 3.4Å; M101-R103 PolarHBondContact O-N 3.05Å; R103-D109 IonicContact CZ-OD1 2.63Å; R103-D109 IonicContact NE-OD1 2.8Å; R103-D109 PolarHBondContact NE-OD1 3.41Å; R103-D109 IonicContact NH2-OD1 2.82Å; R103-D109 PolarHBondContact NH2-OD1 2.79Å; R103-D109 VanDerWaalsContact NH2-OD1 3.16Å; R103-F110 PolarHBondContact NH2-O 2.96Å; R103-H263 HydrophobicContact CB-CB 3.93Å; R103-H263 HydrophobicContact CG-CB 4.18Å; R103-H263 WeakPolarHBondContact O-CA 3.41Å; R103-H263 WeakPolarHBondContact O-CB 3.36Å; R103-H263 PolarHBondContact O-N 3.3Å; R103-T264 HydrophobicContact CB-CG2 3.93Å; R103-T264 PolarHBondContact O-N 3.29Å; R103-T264 PolarHBondContact O-OG1 3.09Å |
| 104 | L | 97.5 | Very high | 97.4 | Very high | 14 Ų | 14 | 27.5 Ų | 27.5 | 7% | 0.073 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -75.4 | -38 | 179.3 | 176.9 | 62.3 | 0 | 0 | 0 | 112.4 | E100 M101 F102 T262 T264 L265 T427 V517 | E100-L104 VanDerWaalsContact O-CB 3.26Å; E100-L104 WeakPolarHBondContact O-CB 3.48Å; E100-L104 PolarHBondContact O-N 3.37Å; M101-L104 PolarHBondContact O-N 3.48Å; F102-L104 VanDerWaalsContact C-N 3.29Å; F102-L104 PolarHBondContact O-N 3.3Å; L104-T262 WeakPolarHBondContact O-CB 3.49Å; L104-T262 WeakPolarHBondContact O-CG2 3.24Å; L104-T264 WeakPolarHBondContact CA-OG1 3.29Å; L104-T264 PolarHBondContact N-OG1 2.8Å; L104-L265 HydrophobicContact CD1-CB 4.32Å; L104-T427 HydrophobicContact CD1-CG2 3.59Å; L104-V517 HydrophobicContact CD1-CG1 4.31Å; L104-V517 HydrophobicContact CD1-CG2 4.48Å; L104-V517 HydrophobicContact CD2-CG2 4.13Å |
| 105 | K | 97.6 | Very high | 97.2 | Very high | 5 Ų | 5 | 30 Ų | 30 | 2% | 0.022 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -106 | -13.2 | -167.4 | -63.3 | 177.6 | 164.8 | -169.8 | 0 | 114.3 | M101 F102 D244 F245 L250 N254 R518 R520 | M101-K105 WeakPolarHBondContact O-CB 3.13Å; M101-K105 WeakPolarHBondContact O-CG 3.44Å; M101-K105 PolarHBondContact O-N 3.02Å; F102-K105 PolarHBondContact O-N 3.19Å; K105-D244 IonicContact NZ-OD1 2.88Å; K105-D244 PolarHBondContact NZ-OD1 2.03Å; K105-D244 IonicContact NZ-OD2 3.23Å; K105-D244 PolarHBondContact NZ-OD2 3.39Å; K105-F245 HydrophobicContact CD-CD2 3.92Å; K105-L250 HydrophobicContact CB-CD1 3.94Å; K105-L250 HydrophobicContact CB-CD2 3.62Å; K105-L250 HydrophobicContact CB-CG 4.43Å; K105-L250 HydrophobicContact CD-CD1 4.03Å; K105-L250 HydrophobicContact CD-CD2 4.37Å; K105-L250 HydrophobicContact CG-CD1 4.3Å; K105-N254 PolarHBondContact O-ND2 2.73Å; K105-R518 WeakPolarHBondContact CE-O 3.23Å; K105-R520 PolarHBondContact NZ-O 3.38Å |
| 106 | S | 97.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -146.4 | -179.4 | -176.6 | 77.4 | 0 | 0 | 0 | 0 | 112.4 | F102 V108 N254 T262 | F102-S106 CarbonylContact O-C 3.59Å; F102-S106 WeakPolarHBondContact O-CA 3.33Å; F102-S106 WeakPolarHBondContact O-CB 3.34Å; F102-S106 PolarHBondContact O-N 2.81Å; F102-S106 PolarHBondContact O-OG 2.93Å; S106-V108 VanDerWaalsContact C-N 3.34Å; S106-V108 WeakPolarHBondContact OG-CB 3.44Å; S106-V108 WeakPolarHBondContact OG-CG2 3.15Å; S106-V108 PolarHBondContact OG-N 3.02Å; S106-N254 WeakPolarHBondContact CA-OD1 3.29Å; S106-N254 WeakPolarHBondContact CB-OD1 3.49Å; S106-T262 WeakPolarHBondContact O-CA 3.37Å |
| 107 | C | 97 | Very high | 96.9 | Very high | 22 Ų | 22 | 35.1 Ų | 35.1 | 15% | 0.149 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -89.9 | 5.5 | 169.2 | 73.2 | 0 | 0 | 0 | 0 | 113.9 | F77 C259 T261 H263 | F77-C107 WeakPolarHBondContact CD2-O 3.22Å; C107-C259 HydrophobicContact CB-CB 3.54Å; C107-C259 WeakPolarHBondContact CB-SG 3.43Å; C107-C259 PolarHBondContact N-SG 3.42Å; C107-C259 WeakPolarHBondContact SG-CA 3.31Å; C107-C259 WeakPolarHBondContact SG-CB 3.45Å; C107-C259 CovalentContact SG-SG 2.04Å; C107-C259 PolarHBondContact SG-SG 2.97Å; C107-T261 WeakPolarHBondContact CB-O 3.19Å; C107-H263 VanDerWaalsContact C-NE2 3.29Å; C107-H263 PolarHBondContact O-CD2 3.42Å; C107-H263 PolarHBondContact O-NE2 3.24Å |
| 108 | V | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | trans | -67.8 | 132.7 | 173.7 | -176.2 | 0 | 0 | 0 | 0 | 108.9 | F77 I79 F102 S106 F110 L161 L253 H263 | F77-V108 HydrophobicContact CE1-CB 4.49Å; F77-V108 HydrophobicContact CE1-CG1 4.06Å; F77-V108 HydrophobicContact CE1-CG2 4.31Å; F77-V108 HydrophobicContact CE2-CB 4.33Å; F77-V108 HydrophobicContact CE2-CG2 3.9Å; F77-V108 HydrophobicContact CZ-CB 4.15Å; F77-V108 HydrophobicContact CZ-CG1 4.18Å; F77-V108 HydrophobicContact CZ-CG2 3.61Å; I79-V108 HydrophobicContact CD1-CG1 4.31Å; F102-V108 HydrophobicContact CB-CB 4.18Å; F102-V108 HydrophobicContact CB-CG1 4.38Å; F102-V108 HydrophobicContact CD1-CB 3.97Å; F102-V108 HydrophobicContact CD1-CG1 4.1Å; F102-V108 HydrophobicContact CD1-CG2 4.13Å; F102-V108 HydrophobicContact CG-CB 4.42Å; F102-V108 HydrophobicContact CG-CG1 4.39Å; S106-V108 VanDerWaalsContact C-N 3.34Å; S106-V108 WeakPolarHBondContact OG-CB 3.44Å; S106-V108 WeakPolarHBondContact OG-CG2 3.15Å; S106-V108 PolarHBondContact OG-N 3.02Å; V108-F110 HydrophobicContact CG1-CE2 3.7Å; V108-F110 HydrophobicContact CG1-CZ 3.72Å; V108-L161 HydrophobicContact CG1-CD1 4.35Å; V108-L161 HydrophobicContact CG1-CD2 4.2Å; V108-L161 HydrophobicContact CG2-CD1 4.19Å; V108-L161 HydrophobicContact CG2-CD2 4.32Å; V108-L253 HydrophobicContact CG2-CD1 4.09Å; V108-L253 HydrophobicContact CG2-CD2 4.02Å; V108-L253 HydrophobicContact CG2-CG 4.28Å; V108-H263 PolarHBondContact O-CD2 2.86Å | ||
| 109 | D | 97.6 | Very high | 96.7 | Very high | 36 Ų | 36 | 36 Ų | 36 | 19% | 0.193 | 20% | 0.198 | C | C | . | . | trans | -139.2 | 160 | 176.3 | -167 | 17.4 | 0 | 0 | 0 | 110.4 | P78 I79 R103 H263 | P78-D109 CarbonylContact C-O 3.47Å; P78-D109 WeakPolarHBondContact CA-O 3.36Å; P78-D109 HydrophobicContact CB-CB 4.02Å; I79-D109 PolarHBondContact N-O 2.97Å; R103-D109 IonicContact CZ-OD1 2.63Å; R103-D109 IonicContact NE-OD1 2.8Å; R103-D109 PolarHBondContact NE-OD1 3.41Å; R103-D109 IonicContact NH2-OD1 2.82Å; R103-D109 PolarHBondContact NH2-OD1 2.79Å; R103-D109 VanDerWaalsContact NH2-OD1 3.16Å; D109-H263 WeakPolarHBondContact CB-NE2 3.25Å | ||
| 110 | F | 98.2 | Very high | 96.7 | Very high | 4 Ų | 4 | 36.1 Ų | 36.1 | 2% | 0.018 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 142.4 | -174.7 | -61.4 | -89 | 0 | 0 | 0 | 109.3 | I79 Y81 F99 F102 R103 V108 I157 | I79-F110 HydrophobicContact CB-CD1 3.89Å; I79-F110 HydrophobicContact CB-CE1 4.12Å; I79-F110 HydrophobicContact CD1-CE1 3.9Å; I79-F110 HydrophobicContact CD1-CZ 4.37Å; I79-F110 HydrophobicContact CG1-CE1 4.42Å; I79-F110 HydrophobicContact CG2-CD1 4.37Å; I79-F110 HydrophobicContact CG2-CE1 4.46Å; I79-F110 CarbonylContact O-C 3.49Å; I79-F110 WeakPolarHBondContact O-CA 3.48Å; Y81-F110 HydrophobicContact CD1-CB 3.79Å; Y81-F110 HydrophobicContact CE1-CB 3.98Å; F99-F110 HydrophobicContact CB-CD2 3.79Å; F99-F110 HydrophobicContact CB-CE2 4.32Å; F99-F110 HydrophobicContact CB-CG 4.4Å; F99-F110 HydrophobicContact CD1-CB 4.44Å; F99-F110 AromaticContact CD1-CD1 3.94Å; F99-F110 HydrophobicContact CD1-CD1 3.94Å; F99-F110 AromaticContact CD1-CD2 3.49Å; F99-F110 HydrophobicContact CD1-CD2 3.49Å; F99-F110 VanDerWaalsContact CD1-CD2 3.49Å; F99-F110 HydrophobicContact CD1-CE1 4.04Å; F99-F110 AromaticContact CD1-CE2 3.61Å; F99-F110 HydrophobicContact CD1-CE2 3.61Å; F99-F110 AromaticContact CD1-CG 3.68Å; F99-F110 HydrophobicContact CD1-CG 3.68Å; F99-F110 AromaticContact CD1-CZ 3.89Å; F99-F110 HydrophobicContact CD1-CZ 3.89Å; F99-F110 HydrophobicContact CD2-CB 3.75Å; F99-F110 HydrophobicContact CD2-CD2 4.15Å; F99-F110 AromaticContact CD2-CG 3.9Å; F99-F110 HydrophobicContact CD2-CG 3.9Å; F99-F110 AromaticContact CE1-CD1 3.6Å; F99-F110 HydrophobicContact CE1-CD1 3.6Å; F99-F110 HydrophobicContact CE1-CD2 4.05Å; F99-F110 AromaticContact CE1-CE1 3.71Å; F99-F110 HydrophobicContact CE1-CE1 3.71Å; F99-F110 HydrophobicContact CE1-CE2 4.16Å; F99-F110 AromaticContact CE1-CG 3.79Å; F99-F110 HydrophobicContact CE1-CG 3.79Å; F99-F110 HydrophobicContact CE1-CZ 4.01Å; F99-F110 HydrophobicContact CE2-CB 3.86Å; F99-F110 HydrophobicContact CE2-CD1 4.26Å; F99-F110 HydrophobicContact CE2-CG 4.01Å; F99-F110 HydrophobicContact CG-CB 4.06Å; F99-F110 HydrophobicContact CG-CD1 4.41Å; F99-F110 AromaticContact CG-CD2 3.55Å; F99-F110 HydrophobicContact CG-CD2 3.55Å; F99-F110 HydrophobicContact CG-CE2 4.1Å; F99-F110 AromaticContact CG-CG 3.74Å; F99-F110 HydrophobicContact CG-CG 3.74Å; F99-F110 HydrophobicContact CZ-CB 4.24Å; F99-F110 AromaticContact CZ-CD1 3.77Å; F99-F110 HydrophobicContact CZ-CD1 3.77Å; F99-F110 HydrophobicContact CZ-CE1 4.3Å; F99-F110 AromaticContact CZ-CG 3.95Å; F99-F110 HydrophobicContact CZ-CG 3.95Å; F102-F110 HydrophobicContact CB-CE2 3.9Å; F102-F110 HydrophobicContact CD2-CE2 4.05Å; F102-F110 HydrophobicContact CD2-CZ 4.28Å; F102-F110 HydrophobicContact CG-CE2 4.04Å; F102-F110 HydrophobicContact CG-CZ 4.45Å; R103-F110 PolarHBondContact NH2-O 2.96Å; V108-F110 HydrophobicContact CG1-CE2 3.7Å; V108-F110 HydrophobicContact CG1-CZ 3.72Å; F110-I157 HydrophobicContact CE1-CG2 4.3Å; F110-I157 HydrophobicContact CZ-CD1 4.49Å; F110-I157 HydrophobicContact CZ-CG2 3.79Å |
| 111 | K | 96.5 | Very high | 96.7 | Very high | 54 Ų | 54 | 35.7 Ų | 35.7 | 24% | 0.235 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 152.3 | 171.9 | 67.9 | 162.6 | -168.4 | 152.6 | 0 | 111.3 | P78 I79 P80 Y81 E114 E116 | P78-K111 HydrophobicContact CB-CB 4.13Å; P78-K111 HydrophobicContact CB-CG 4Å; P78-K111 HydrophobicContact CG-CB 4.15Å; P78-K111 HydrophobicContact CG-CD 3.73Å; P78-K111 HydrophobicContact CG-CG 3.78Å; I79-K111 PolarHBondContact O-N 2.82Å; P80-K111 CarbonylContact C-O 3.46Å; P80-K111 VanDerWaalsContact CA-O 3.26Å; P80-K111 WeakPolarHBondContact CA-O 3.49Å; Y81-K111 WeakPolarHBondContact CD1-O 3.41Å; Y81-K111 WeakPolarHBondContact CE1-O 3.27Å; Y81-K111 PolarHBondContact N-O 3.41Å; K111-E114 IonicContact NZ-OE2 3.75Å; K111-E114 PolarHBondContact NZ-OE2 2.85Å; K111-E116 WeakPolarHBondContact CE-OE1 3.3Å; K111-E116 IonicContact NZ-OE1 3.6Å; K111-E116 PolarHBondContact NZ-OE1 3.3Å |
| 112 | P | 96 | Very high | 96.7 | Very high | 49 Ų | 49 | 34.4 Ų | 34.4 | 32% | 0.318 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -51.6 | 142.5 | 168.1 | -29.9 | 38.2 | 0 | 0 | 0 | 112.1 | E603 | P112-E603 VanDerWaalsContact CB-OE2 3.25Å; P112-E603 WeakPolarHBondContact CB-OE2 3.47Å; P112-E603 WeakPolarHBondContact CG-OE2 3.4Å |
| 113 | Y | 95.4 | Very high | 96.5 | Very high | 59 Ų | 59 | 35.9 Ų | 35.9 | 23% | 0.231 | 20% | 0.197 | C | C | . | . | trans | -64.8 | 131.6 | 174.6 | 175.6 | -100.1 | 0 | 0 | 0 | 112.3 | P80 Y81 I82 G115 E116 Y119 V604 | P80-Y113 HydrophobicContact CB-CD2 4.25Å; Y81-Y113 WeakPolarHBondContact O-CB 3.32Å; Y81-Y113 PolarHBondContact O-N 2.75Å; I82-Y113 HydrophobicContact CD1-CD1 3.79Å; I82-Y113 HydrophobicContact CD1-CE1 4.38Å; I82-Y113 HydrophobicContact CD1-CG 3.89Å; I82-Y113 VanDerWaalsContact CG1-CB 3.49Å; I82-Y113 HydrophobicContact CG1-CD1 4.2Å; I82-Y113 HydrophobicContact CG1-CG 3.91Å; Y113-G115 VanDerWaalsContact CZ-CA 3.46Å; Y113-G115 WeakPolarHBondContact OH-CA 3.06Å; Y113-E116 HydrophobicContact CD2-CB 4.49Å; Y113-E116 WeakPolarHBondContact CD2-OE2 3.42Å; Y113-E116 HydrophobicContact CE2-CB 4.26Å; Y113-E116 VanDerWaalsContact CE2-N 3.33Å; Y113-E116 WeakPolarHBondContact CE2-O 3.44Å; Y113-E116 PolarHBondContact OH-O 2.87Å; Y113-Y119 AromaticContact CD2-CD1 3.79Å; Y113-Y119 HydrophobicContact CD2-CD1 3.79Å; Y113-Y119 AromaticContact CD2-CD2 3.95Å; Y113-Y119 HydrophobicContact CD2-CD2 3.95Å; Y113-Y119 HydrophobicContact CD2-CE1 4.38Å; Y113-Y119 HydrophobicContact CD2-CE2 4.47Å; Y113-Y119 AromaticContact CD2-CG 3.56Å; Y113-Y119 HydrophobicContact CD2-CG 3.56Å; Y113-Y119 AromaticContact CE2-CD1 3.3Å; Y113-Y119 HydrophobicContact CE2-CD1 3.3Å; Y113-Y119 HydrophobicContact CE2-CD2 4.13Å; Y113-Y119 AromaticContact CE2-CE1 3.62Å; Y113-Y119 HydrophobicContact CE2-CE1 3.62Å; Y113-Y119 HydrophobicContact CE2-CE2 4.34Å; Y113-Y119 AromaticContact CE2-CG 3.61Å; Y113-Y119 HydrophobicContact CE2-CG 3.61Å; Y113-Y119 HydrophobicContact CG-CD2 4.5Å; Y113-V604 HydrophobicContact CD1-CG2 4.3Å | ||
| 114 | E | 94.2 | Very high | 96.4 | Very high | 153 Ų | 153 | 37.8 Ų | 37.8 | 72% | 0.715 | 21% | 0.208 | S | C | * | . | S | Bend | trans | -125.4 | 5.4 | -177.4 | -65.3 | 176.3 | 129.9 | 0 | 0 | 113.1 | K111 E116 | K111-E114 IonicContact NZ-OE2 3.75Å; K111-E114 PolarHBondContact NZ-OE2 2.85Å; E114-E116 PolarHBondContact N-OE2 3.42Å |
| 115 | G | 92.8 | Very high | 96.3 | Very high | 54 Ų | 54 | 39.9 Ų | 39.9 | 56% | 0.557 | 22% | 0.216 | S | C | * | . | S | Bend | trans | 123.9 | 15.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115 | Y113 | Y113-G115 VanDerWaalsContact CZ-CA 3.46Å; Y113-G115 WeakPolarHBondContact OH-CA 3.06Å |
| 116 | E | 95.6 | Very high | 96.2 | Very high | 46 Ų | 46 | 44.4 Ų | 44.4 | 22% | 0.215 | 24% | 0.241 | C | C | . | . | trans | -63.9 | 153.2 | 179 | -63.6 | 82.2 | -179.1 | 0 | 0 | 112.4 | P80 K111 Y113 E114 | P80-E116 HydrophobicContact CB-CB 4.29Å; P80-E116 HydrophobicContact CB-CG 4.16Å; P80-E116 HydrophobicContact CG-CB 3.81Å; P80-E116 HydrophobicContact CG-CG 3.55Å; K111-E116 WeakPolarHBondContact CE-OE1 3.3Å; K111-E116 IonicContact NZ-OE1 3.6Å; K111-E116 PolarHBondContact NZ-OE1 3.3Å; Y113-E116 HydrophobicContact CD2-CB 4.49Å; Y113-E116 WeakPolarHBondContact CD2-OE2 3.42Å; Y113-E116 HydrophobicContact CE2-CB 4.26Å; Y113-E116 VanDerWaalsContact CE2-N 3.33Å; Y113-E116 WeakPolarHBondContact CE2-O 3.44Å; Y113-E116 PolarHBondContact OH-O 2.87Å; E114-E116 PolarHBondContact N-OE2 3.42Å | ||
| 117 | S | 93.9 | Very high | 96.1 | Very high | 104 Ų | 104 | 44.6 Ų | 44.6 | 73% | 0.727 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -74.2 | -30.3 | 177.1 | 57.4 | 0 | 0 | 0 | 0 | 112.9 | V137 | S117-V137 CarbonylContact O-C 3.5Å; S117-V137 WeakPolarHBondContact O-CA 3.46Å |
| 118 | S | 95.9 | Very high | 96.2 | Very high | 13 Ų | 13 | 43.5 Ų | 43.5 | 9% | 0.091 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -118.9 | 134.7 | 177.5 | -169.3 | 0 | 0 | 0 | 0 | 110.9 | W75 D134 V137 | W75-S118 WeakPolarHBondContact CH2-OG 3.22Å; W75-S118 WeakPolarHBondContact CZ3-OG 3.08Å; S118-D134 WeakPolarHBondContact CB-OD1 3.41Å; S118-D134 PolarHBondContact OG-OD1 2.9Å; S118-V137 PolarHBondContact OG-O 3.25Å |
| 119 | Y | 97.4 | Very high | 96.2 | Very high | 47 Ų | 47 | 44.2 Ų | 44.2 | 18% | 0.184 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -167.5 | 160.3 | -176.1 | 59.5 | -80.7 | 0 | 0 | 0 | 110.6 | P80 I82 Y113 I121 G138 Q139 | P80-Y119 CarbonylContact O-C 3.5Å; P80-Y119 VanDerWaalsContact O-CA 3.28Å; P80-Y119 WeakPolarHBondContact O-CA 3.4Å; P80-Y119 VanDerWaalsContact O-CB 3.31Å; P80-Y119 WeakPolarHBondContact O-CB 3.11Å; I82-Y119 HydrophobicContact CD1-CD2 3.87Å; I82-Y119 HydrophobicContact CD1-CE2 3.56Å; I82-Y119 HydrophobicContact CG1-CD2 4.13Å; I82-Y119 HydrophobicContact CG1-CE2 4.32Å; Y113-Y119 AromaticContact CD2-CD1 3.79Å; Y113-Y119 HydrophobicContact CD2-CD1 3.79Å; Y113-Y119 AromaticContact CD2-CD2 3.95Å; Y113-Y119 HydrophobicContact CD2-CD2 3.95Å; Y113-Y119 HydrophobicContact CD2-CE1 4.38Å; Y113-Y119 HydrophobicContact CD2-CE2 4.47Å; Y113-Y119 AromaticContact CD2-CG 3.56Å; Y113-Y119 HydrophobicContact CD2-CG 3.56Å; Y113-Y119 AromaticContact CE2-CD1 3.3Å; Y113-Y119 HydrophobicContact CE2-CD1 3.3Å; Y113-Y119 HydrophobicContact CE2-CD2 4.13Å; Y113-Y119 AromaticContact CE2-CE1 3.62Å; Y113-Y119 HydrophobicContact CE2-CE1 3.62Å; Y113-Y119 HydrophobicContact CE2-CE2 4.34Å; Y113-Y119 AromaticContact CE2-CG 3.61Å; Y113-Y119 HydrophobicContact CE2-CG 3.61Å; Y113-Y119 HydrophobicContact CG-CD2 4.5Å; Y119-I121 HydrophobicContact CD2-CD1 4.26Å; Y119-I121 HydrophobicContact CD2-CG1 3.59Å; Y119-I121 HydrophobicContact CE2-CD1 3.42Å; Y119-I121 VanDerWaalsContact CE2-CD1 3.42Å; Y119-I121 HydrophobicContact CE2-CG1 3.26Å; Y119-G138 WeakPolarHBondContact O-CA 3.36Å; Y119-Q139 PolarHBondContact O-N 2.87Å |
| 120 | I | 98.2 | Very high | 96.2 | Very high | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 128.5 | 174.9 | -57.7 | 178.2 | 0 | 0 | 0 | 109.6 | W75 I79 P80 Y81 I82 F122 Q139 L141 A160 | W75-I120 HydrophobicContact CH2-CG1 3.75Å; W75-I120 HydrophobicContact CZ2-CD1 3.97Å; W75-I120 HydrophobicContact CZ2-CG1 3.51Å; I79-I120 HydrophobicContact CG2-CD1 3.85Å; I79-I120 HydrophobicContact CG2-CG1 4.01Å; P80-I120 PolarHBondContact O-N 3.37Å; Y81-I120 CarbonylContact C-O 3.47Å; Y81-I120 WeakPolarHBondContact CA-O 3.43Å; I82-I120 PolarHBondContact N-O 3.1Å; I120-F122 HydrophobicContact CB-CE2 4.12Å; I120-F122 HydrophobicContact CG2-CD2 3.98Å; I120-F122 HydrophobicContact CG2-CE2 3.6Å; I120-F122 HydrophobicContact CG2-CZ 3.91Å; I120-Q139 HydrophobicContact CG1-CG 4.35Å; I120-L141 HydrophobicContact CG2-CB 3.75Å; I120-L141 HydrophobicContact CG2-CD1 4.16Å; I120-A160 HydrophobicContact CD1-CB 3.76Å |
| 121 | I | 97.3 | Very high | 96 | Very high | 22 Ų | 22 | 42.5 Ų | 42.5 | 11% | 0.113 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 111.1 | 170.2 | -45.4 | 179.3 | 0 | 0 | 0 | 108.4 | I82 A84 Y119 Q123 Q139 L141 | I82-I121 HydrophobicContact CB-CG1 4.46Å; I82-I121 HydrophobicContact CB-CG2 4.11Å; I82-I121 HydrophobicContact CD1-CG1 4.46Å; I82-I121 HydrophobicContact CG2-CG2 4.19Å; A84-I121 HydrophobicContact CB-CG2 4.3Å; Y119-I121 HydrophobicContact CD2-CD1 4.26Å; Y119-I121 HydrophobicContact CD2-CG1 3.59Å; Y119-I121 HydrophobicContact CE2-CD1 3.42Å; Y119-I121 VanDerWaalsContact CE2-CD1 3.42Å; Y119-I121 HydrophobicContact CE2-CG1 3.26Å; I121-Q123 HydrophobicContact CB-CG 4.23Å; I121-Q123 HydrophobicContact CG2-CG 3.47Å; I121-Q123 VanDerWaalsContact CG2-CG 3.47Å; I121-Q139 PolarHBondContact N-O 2.65Å; I121-L141 PolarHBondContact O-N 3.02Å |
| 122 | F | 97.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 123 | 170.7 | -64.5 | -97.5 | 0 | 0 | 0 | 108.8 | I82 L83 A84 L87 I95 F99 I120 L141 I143 I157 | I82-F122 PolarHBondContact O-N 3.07Å; L83-F122 HydrophobicContact CD2-CB 3.94Å; L83-F122 HydrophobicContact CD2-CD2 4.03Å; L83-F122 HydrophobicContact CD2-CG 4.11Å; A84-F122 WeakPolarHBondContact CB-O 3.48Å; A84-F122 PolarHBondContact N-O 2.85Å; L87-F122 HydrophobicContact CD1-CB 3.75Å; L87-F122 WeakPolarHBondContact CD1-O 3.15Å; I95-F122 HydrophobicContact CD1-CB 3.8Å; I95-F122 HydrophobicContact CD1-CD1 3.73Å; I95-F122 HydrophobicContact CD1-CG 3.93Å; I95-F122 HydrophobicContact CG1-CD1 4.04Å; I95-F122 HydrophobicContact CG1-CE1 4.47Å; I95-F122 HydrophobicContact CG2-CD1 4.02Å; I95-F122 HydrophobicContact CG2-CD2 4.42Å; I95-F122 HydrophobicContact CG2-CE1 3.95Å; I95-F122 HydrophobicContact CG2-CE2 4.37Å; I95-F122 HydrophobicContact CG2-CG 4.26Å; I95-F122 HydrophobicContact CG2-CZ 4.14Å; F99-F122 HydrophobicContact CE1-CE2 4.13Å; F99-F122 AromaticContact CE1-CZ 3.75Å; F99-F122 HydrophobicContact CE1-CZ 3.75Å; F99-F122 AromaticContact CZ-CE2 3.69Å; F99-F122 HydrophobicContact CZ-CE2 3.69Å; F99-F122 AromaticContact CZ-CZ 3.8Å; F99-F122 HydrophobicContact CZ-CZ 3.8Å; I120-F122 HydrophobicContact CB-CE2 4.12Å; I120-F122 HydrophobicContact CG2-CD2 3.98Å; I120-F122 HydrophobicContact CG2-CE2 3.6Å; I120-F122 HydrophobicContact CG2-CZ 3.91Å; F122-L141 WeakPolarHBondContact CA-O 3.34Å; F122-L141 HydrophobicContact CD1-CB 4.4Å; F122-L141 HydrophobicContact CD1-CD1 4.34Å; F122-L141 HydrophobicContact CD1-CD2 3.78Å; F122-L141 HydrophobicContact CD1-CG 4.41Å; F122-L141 HydrophobicContact CE1-CD1 3.72Å; F122-L141 HydrophobicContact CE1-CD2 3.87Å; F122-L141 HydrophobicContact CE1-CG 4.26Å; F122-L141 HydrophobicContact CZ-CD1 4.17Å; F122-I143 HydrophobicContact CD1-CG1 4.15Å; F122-I157 HydrophobicContact CE1-CD1 4.17Å; F122-I157 HydrophobicContact CE1-CG1 4.07Å; F122-I157 HydrophobicContact CZ-CD1 4.13Å; F122-I157 HydrophobicContact CZ-CG1 4.09Å |
| 123 | Q | 95.1 | Very high | 95.8 | Very high | 31 Ų | 31 | 38 Ų | 38 | 15% | 0.145 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 154.3 | -177.2 | -52.4 | -155.4 | -90.3 | 0 | 0 | 111.6 | A84 I121 F125 N140 L141 S142 I143 | A84-Q123 HydrophobicContact CB-CB 4.32Å; A84-Q123 HydrophobicContact CB-CG 3.69Å; I121-Q123 HydrophobicContact CB-CG 4.23Å; I121-Q123 HydrophobicContact CG2-CG 3.47Å; I121-Q123 VanDerWaalsContact CG2-CG 3.47Å; Q123-F125 HydrophobicContact CB-CD2 3.97Å; Q123-F125 HydrophobicContact CB-CE2 3.61Å; Q123-F125 HydrophobicContact CB-CZ 4.09Å; Q123-F125 HydrophobicContact CG-CE2 4.09Å; Q123-F125 HydrophobicContact CG-CZ 4.42Å; Q123-F125 PolarHBondContact O-N 3.05Å; Q123-N140 PolarHBondContact OE1-OD1 3Å; Q123-N140 VanDerWaalsContact OE1-OD1 3.06Å; Q123-L141 PolarHBondContact N-O 3.46Å; Q123-S142 WeakPolarHBondContact O-CA 2.95Å; Q123-I143 PolarHBondContact O-N 3.47Å |
| 124 | Q | 94.4 | Very high | 95.7 | Very high | 79 Ų | 79 | 35.7 Ų | 35.7 | 37% | 0.369 | 20% | 0.197 | S | C | . | . | trans | -87.8 | 92.5 | 170.9 | -167.8 | 172.3 | -18.4 | 0 | 0 | 110.2 | N86 L87 | N86-Q124 PolarHBondContact ND2-N 2.78Å; N86-Q124 PolarHBondContact ND2-O 2.99Å; N86-Q124 WeakPolarHBondContact O-CB 3.27Å; N86-Q124 PolarHBondContact O-OE1 3.24Å; L87-Q124 HydrophobicContact CD2-CB 4.25Å | ||
| 125 | F | 96.1 | Very high | 95.6 | Very high | 58 Ų | 58 | 30.3 Ų | 30.3 | 25% | 0.254 | 17% | 0.172 | S | C | . | . | trans | -98.5 | -173.4 | 163.4 | -61 | -66 | 0 | 0 | 0 | 110.4 | Q123 W129 N140 S142 G144 | Q123-F125 HydrophobicContact CB-CD2 3.97Å; Q123-F125 HydrophobicContact CB-CE2 3.61Å; Q123-F125 HydrophobicContact CB-CZ 4.09Å; Q123-F125 HydrophobicContact CG-CE2 4.09Å; Q123-F125 HydrophobicContact CG-CZ 4.42Å; Q123-F125 PolarHBondContact O-N 3.05Å; F125-W129 HydrophobicContact CB-CZ2 4.06Å; F125-W129 AromaticContact CD2-CH2 3.97Å; F125-W129 HydrophobicContact CD2-CH2 3.97Å; F125-W129 AromaticContact CD2-CZ2 3.67Å; F125-W129 HydrophobicContact CD2-CZ2 3.67Å; F125-W129 HydrophobicContact CE2-CH2 4.34Å; F125-W129 HydrophobicContact CE2-CZ2 4.44Å; F125-W129 HydrophobicContact CG-CZ2 4.1Å; F125-N140 HydrophobicContact CE2-CB 4Å; F125-S142 WeakPolarHBondContact CB-OG 3.24Å; F125-S142 PolarHBondContact N-OG 3.08Å; F125-G144 WeakPolarHBondContact O-CA 3.25Å | ||
| 126 | N | 95.5 | Very high | 95.6 | Very high | 100 Ų | 100 | 32.7 Ų | 32.7 | 54% | 0.535 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -72.2 | 137.3 | 167.4 | -69.7 | -14.6 | 0 | 0 | 0 | 108.5 | A50 L52 W129 | A50-N126 HydrophobicContact CB-CB 4.19Å; L52-N126 WeakPolarHBondContact CD1-O 3.31Å; N126-W129 PolarHBondContact O-NE1 3.13Å |
| 127 | G | 96 | Very high | 95.5 | Very high | 4 Ų | 4 | 33.8 Ų | 33.8 | 4% | 0.041 | 18% | 0.178 | C | C | . | . | S | Bend | trans | 75.8 | 175.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | N47 S142 G144 | N47-G127 WeakPolarHBondContact OD1-CA 3.29Å; G127-S142 PolarHBondContact O-OG 3.45Å; G127-G144 WeakPolarHBondContact O-CA 3.46Å; G127-G144 PolarHBondContact O-N 3.15Å; G127-G144 VanDerWaalsContact O-N 3.11Å |
| 128 | C | 97.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 120.6 | 170.9 | -28.4 | 0 | 0 | 0 | 0 | 106.9 | I43 N47 D58 S142 C147 I152 E156 | I43-C128 HydrophobicContact CG1-CB 4.37Å; I43-C128 HydrophobicContact CG2-CB 4.01Å; N47-C128 PolarHBondContact ND2-O 3.4Å; N47-C128 PolarHBondContact OD1-N 3.39Å; N47-C128 PolarHBondContact OD1-O 3.14Å; D58-C128 WeakPolarHBondContact CB-O 3.44Å; C128-S142 WeakPolarHBondContact CA-O 3.37Å; C128-C147 WeakPolarHBondContact CA-SG 3.26Å; C128-C147 HydrophobicContact CB-CB 3.74Å; C128-C147 WeakPolarHBondContact CB-SG 3.35Å; C128-C147 PolarHBondContact N-SG 2.88Å; C128-C147 WeakPolarHBondContact SG-CB 3.31Å; C128-C147 CovalentContact SG-SG 2.03Å; C128-C147 PolarHBondContact SG-SG 3.23Å; C128-I152 HydrophobicContact CB-CG2 3.91Å; C128-E156 HydrophobicContact CB-CG 4.41Å; C128-E156 WeakPolarHBondContact CB-OE1 3.45Å |
| 129 | W | 98.3 | Very high | 95.4 | Very high | 14 Ų | 14 | 29.8 Ų | 29.8 | 5% | 0.053 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.5 | 160 | -179.6 | 52.2 | -96.9 | 0 | 0 | 0 | 112.1 | L54 D58 L60 F125 N126 N140 S142 E156 | L54-W129 HydrophobicContact CD1-CB 3.51Å; L54-W129 HydrophobicContact CD1-CD2 4.5Å; L54-W129 HydrophobicContact CD1-CG 3.63Å; D58-W129 HydrophobicContact CB-CB 4.31Å; D58-W129 WeakPolarHBondContact O-CA 3.23Å; D58-W129 WeakPolarHBondContact O-CB 3.28Å; L60-W129 HydrophobicContact CB-CE3 3.92Å; L60-W129 HydrophobicContact CB-CZ3 4.22Å; L60-W129 HydrophobicContact CD2-CE3 4.03Å; L60-W129 HydrophobicContact CD2-CH2 3.99Å; L60-W129 HydrophobicContact CD2-CZ3 3.47Å; L60-W129 VanDerWaalsContact CD2-CZ3 3.47Å; L60-W129 HydrophobicContact CG-CZ3 4.43Å; F125-W129 HydrophobicContact CB-CZ2 4.06Å; F125-W129 AromaticContact CD2-CH2 3.97Å; F125-W129 HydrophobicContact CD2-CH2 3.97Å; F125-W129 AromaticContact CD2-CZ2 3.67Å; F125-W129 HydrophobicContact CD2-CZ2 3.67Å; F125-W129 HydrophobicContact CE2-CH2 4.34Å; F125-W129 HydrophobicContact CE2-CZ2 4.44Å; F125-W129 HydrophobicContact CG-CZ2 4.1Å; N126-W129 PolarHBondContact O-NE1 3.13Å; W129-N140 HydrophobicContact CH2-CB 4.08Å; W129-N140 HydrophobicContact CZ3-CB 4.22Å; W129-S142 PolarHBondContact N-O 3.01Å; W129-S142 VanDerWaalsContact NE1-CB 3.3Å; W129-S142 PolarHBondContact O-N 2.88Å; W129-E156 WeakPolarHBondContact CA-OE2 3.19Å; W129-E156 PolarHBondContact N-OE1 3.09Å; W129-E156 PolarHBondContact N-OE2 2.88Å |
| 130 | S | 97.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.158 | C | C | . | . | B | Isolated β-bridge | trans | -147.7 | 164.4 | -178.7 | -165.8 | 0 | 0 | 0 | 0 | 111.4 | D58 I59 L60 E156 | D58-S130 PolarHBondContact O-N 2.73Å; D58-S130 VanDerWaalsContact O-N 3.11Å; I59-S130 WeakPolarHBondContact CA-O 3.38Å; L60-S130 PolarHBondContact N-O 2.65Å; S130-E156 WeakPolarHBondContact CB-O 3.32Å; S130-E156 WeakPolarHBondContact CB-OE2 3.43Å; S130-E156 PolarHBondContact N-OE2 3.39Å; S130-E156 VanDerWaalsContact N-OE2 3.07Å; S130-E156 PolarHBondContact OG-O 2.92Å |
| 131 | E | 94.9 | Very high | 95.4 | Very high | 5 Ų | 5 | 29.8 Ų | 29.8 | 2% | 0.023 | 16% | 0.157 | C | C | . | . | trans | -88.8 | 156.6 | 166.9 | -66.9 | 175 | -178.4 | 0 | 0 | 109.5 | L60 Q62 Q135 Q139 H159 A160 | L60-E131 HydrophobicContact CB-CG 4.01Å; L60-E131 HydrophobicContact CD2-CG 4.18Å; L60-E131 HydrophobicContact CG-CG 4.31Å; Q62-E131 VanDerWaalsContact CD-OE1 3.29Å; Q62-E131 WeakPolarHBondContact CG-OE1 3.44Å; Q62-E131 PolarHBondContact NE2-OE1 3.36Å; E131-Q135 HydrophobicContact CB-CG 4.34Å; E131-Q135 WeakPolarHBondContact OE2-CG 3.49Å; E131-Q139 VanDerWaalsContact OE2-CB 3.29Å; E131-Q139 WeakPolarHBondContact OE2-CB 3Å; E131-H159 CarbonylContact O-C 3.6Å; E131-H159 VanDerWaalsContact O-C 3.31Å; E131-A160 VanDerWaalsContact O-CA 3.28Å; E131-A160 WeakPolarHBondContact O-CA 3.46Å; E131-A160 PolarHBondContact O-N 2.78Å | ||
| 132 | V | 93.9 | Very high | 95.4 | Very high | 7 Ų | 7 | 28.7 Ų | 28.7 | 4% | 0.042 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -94.9 | 114.2 | -179.8 | -177.8 | 0 | 0 | 0 | 0 | 111.6 | I59 N66 Q135 H159 Y164 | I59-V132 HydrophobicContact CB-CG2 4.49Å; I59-V132 HydrophobicContact CD1-CG2 4.05Å; I59-V132 HydrophobicContact CG1-CG2 4.15Å; I59-V132 HydrophobicContact CG2-CG2 3.58Å; N66-V132 VanDerWaalsContact O-CG1 3.27Å; N66-V132 WeakPolarHBondContact O-CG1 3.49Å; V132-Q135 PolarHBondContact O-NE2 2.86Å; V132-H159 VanDerWaalsContact CA-O 3.26Å; V132-H159 WeakPolarHBondContact CA-O 3.26Å; V132-H159 HydrophobicContact CG2-CB 4.42Å; V132-Y164 HydrophobicContact CB-CE1 4.35Å; V132-Y164 HydrophobicContact CG1-CD2 4.26Å; V132-Y164 HydrophobicContact CG1-CE1 4.36Å; V132-Y164 HydrophobicContact CG1-CE2 3.83Å; V132-Y164 HydrophobicContact CG2-CD1 4.26Å; V132-Y164 HydrophobicContact CG2-CE1 3.79Å |
| 133 | G | 93.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.152 | C | C | . | . | S | Bend | trans | 81.9 | 177.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | T73 Q135 Q139 H159 A160 | T73-G133 CarbonylContact O-C 3.58Å; T73-G133 WeakPolarHBondContact O-CA 3.34Å; G133-Q135 PolarHBondContact O-N 2.8Å; G133-Q135 PolarHBondContact O-NE2 3.45Å; G133-Q139 PolarHBondContact O-NE2 2.91Å; G133-Q139 PolarHBondContact O-OE1 2.75Å; G133-H159 PolarHBondContact N-O 2.97Å; G133-H159 VanDerWaalsContact N-O 3.13Å; G133-A160 CarbonylContact C-O 3.5Å; G133-A160 VanDerWaalsContact C-O 3.23Å; G133-A160 WeakPolarHBondContact CA-O 3.21Å; G133-A160 PolarHBondContact N-O 2.78Å |
| 134 | D | 94 | Very high | 95.4 | Very high | 12 Ų | 12 | 27.4 Ų | 27.4 | 6% | 0.064 | 15% | 0.147 | C | C | . | . | trans | -74 | 113.2 | 173.4 | 179.6 | 5.5 | 0 | 0 | 0 | 110.2 | T73 W75 S118 H136 | T73-D134 PolarHBondContact O-N 3.11Å; W75-D134 HydrophobicContact CD2-CB 3.73Å; W75-D134 HydrophobicContact CE3-CB 4.25Å; W75-D134 HydrophobicContact CG-CB 3.92Å; W75-D134 HydrophobicContact CZ2-CB 4.2Å; S118-D134 WeakPolarHBondContact CB-OD1 3.41Å; S118-D134 PolarHBondContact OG-OD1 2.9Å; D134-H136 PolarHBondContact O-N 2.93Å; D134-H136 VanDerWaalsContact OD1-CA 3.28Å; D134-H136 WeakPolarHBondContact OD1-CA 2.82Å; D134-H136 PolarHBondContact OD1-N 2.85Å; D134-H136 IonicContact OD1-ND1 3.7Å; D134-H136 PolarHBondContact OD1-ND1 3.29Å; D134-H136 IonicContact OD2-CE1 3.15Å; D134-H136 IonicContact OD2-ND1 2.74Å; D134-H136 PolarHBondContact OD2-ND1 2.81Å; D134-H136 VanDerWaalsContact OD2-ND1 3.09Å | ||
| 135 | Q | 91.6 | Very high | 95.3 | Very high | 40 Ų | 40 | 31.8 Ų | 31.8 | 19% | 0.187 | 17% | 0.167 | C | C | . | . | trans | -83.1 | 4.1 | 175.8 | -57.1 | -42.1 | -66.2 | 0 | 0 | 113.8 | N66 E131 V132 G133 V137 | N66-Q135 PolarHBondContact ND2-OE1 3.01Å; E131-Q135 HydrophobicContact CB-CG 4.34Å; E131-Q135 WeakPolarHBondContact OE2-CG 3.49Å; V132-Q135 PolarHBondContact O-NE2 2.86Å; G133-Q135 PolarHBondContact O-N 2.8Å; G133-Q135 PolarHBondContact O-NE2 3.45Å; Q135-V137 HydrophobicContact CB-CG2 3.92Å; Q135-V137 PolarHBondContact O-N 3.13Å | ||
| 136 | H | 92.5 | Very high | 95 | Very high | 103 Ų | 103 | 30.2 Ų | 30.2 | 48% | 0.477 | 17% | 0.168 | S | C | . | . | S | Bend | trans | 60.8 | 21 | -177.4 | -55.5 | -44.6 | 0 | 0 | 0 | 115 | N72 D134 | N72-H136 PolarHBondContact O-CE1 2.98Å; N72-H136 PolarHBondContact O-NE2 3.14Å; D134-H136 PolarHBondContact O-N 2.93Å; D134-H136 VanDerWaalsContact OD1-CA 3.28Å; D134-H136 WeakPolarHBondContact OD1-CA 2.82Å; D134-H136 PolarHBondContact OD1-N 2.85Å; D134-H136 IonicContact OD1-ND1 3.7Å; D134-H136 PolarHBondContact OD1-ND1 3.29Å; D134-H136 IonicContact OD2-CE1 3.15Å; D134-H136 IonicContact OD2-ND1 2.74Å; D134-H136 PolarHBondContact OD2-ND1 2.81Å; D134-H136 VanDerWaalsContact OD2-ND1 3.09Å |
| 137 | V | 92.7 | Very high | 95 | Very high | 70 Ų | 70 | 25.5 Ų | 25.5 | 42% | 0.424 | 14% | 0.142 | S | C | . | . | S | Bend | trans | -137.7 | 173.1 | 177.1 | -63.5 | 0 | 0 | 0 | 0 | 109.3 | S117 S118 Q135 Q139 | S117-V137 CarbonylContact O-C 3.5Å; S117-V137 WeakPolarHBondContact O-CA 3.46Å; S118-V137 PolarHBondContact OG-O 3.25Å; Q135-V137 HydrophobicContact CB-CG2 3.92Å; Q135-V137 PolarHBondContact O-N 3.13Å; V137-Q139 PolarHBondContact O-N 3.25Å; V137-Q139 VanDerWaalsContact O-N 3.16Å |
| 138 | G | 93.8 | Very high | 95 | Very high | 30 Ų | 30 | 27.4 Ų | 27.4 | 31% | 0.309 | 15% | 0.151 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 112.4 | 165.2 | 0 | 0 | 0 | 0 | 0 | 110 | Y119 | Y119-G138 WeakPolarHBondContact O-CA 3.36Å |
| 139 | Q | 94.9 | Very high | 94.8 | Very high | 3 Ų | 3 | 29 Ų | 29 | 1% | 0.014 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 145.7 | 179.5 | 67.6 | -169.2 | 65 | 0 | 0 | 111.8 | W75 Y119 I120 I121 E131 G133 V137 | W75-Q139 HydrophobicContact CH2-CG 4.46Å; W75-Q139 HydrophobicContact CZ2-CG 4.1Å; Y119-Q139 PolarHBondContact O-N 2.87Å; I120-Q139 HydrophobicContact CG1-CG 4.35Å; I121-Q139 PolarHBondContact N-O 2.65Å; E131-Q139 VanDerWaalsContact OE2-CB 3.29Å; E131-Q139 WeakPolarHBondContact OE2-CB 3Å; G133-Q139 PolarHBondContact O-NE2 2.91Å; G133-Q139 PolarHBondContact O-OE1 2.75Å; V137-Q139 PolarHBondContact O-N 3.25Å; V137-Q139 VanDerWaalsContact O-N 3.16Å |
| 140 | N | 96.1 | Very high | 94.8 | Very high | 47 Ų | 47 | 28.5 Ų | 28.5 | 25% | 0.251 | 16% | 0.156 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 141.3 | -179.2 | -68.5 | -35.7 | 0 | 0 | 0 | 110.7 | Q123 F125 W129 | Q123-N140 PolarHBondContact OE1-OD1 3Å; Q123-N140 VanDerWaalsContact OE1-OD1 3.06Å; F125-N140 HydrophobicContact CE2-CB 4Å; W129-N140 HydrophobicContact CH2-CB 4.08Å; W129-N140 HydrophobicContact CZ3-CB 4.22Å |
| 141 | L | 98.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 119.6 | 167.3 | -170.3 | 163.7 | 0 | 0 | 0 | 107.6 | I120 I121 F122 Q123 I143 E156 I157 A160 | I120-L141 HydrophobicContact CG2-CB 3.75Å; I120-L141 HydrophobicContact CG2-CD1 4.16Å; I121-L141 PolarHBondContact O-N 3.02Å; F122-L141 WeakPolarHBondContact CA-O 3.34Å; F122-L141 HydrophobicContact CD1-CB 4.4Å; F122-L141 HydrophobicContact CD1-CD1 4.34Å; F122-L141 HydrophobicContact CD1-CD2 3.78Å; F122-L141 HydrophobicContact CD1-CG 4.41Å; F122-L141 HydrophobicContact CE1-CD1 3.72Å; F122-L141 HydrophobicContact CE1-CD2 3.87Å; F122-L141 HydrophobicContact CE1-CG 4.26Å; F122-L141 HydrophobicContact CZ-CD1 4.17Å; Q123-L141 PolarHBondContact N-O 3.46Å; L141-I143 HydrophobicContact CD2-CD1 3.43Å; L141-I143 VanDerWaalsContact CD2-CD1 3.43Å; L141-I143 HydrophobicContact CD2-CG1 3.76Å; L141-E156 HydrophobicContact CD1-CB 4.03Å; L141-E156 HydrophobicContact CD2-CB 3.74Å; L141-E156 HydrophobicContact CD2-CG 4.35Å; L141-E156 HydrophobicContact CG-CB 4.02Å; L141-I157 HydrophobicContact CD1-CG1 4.13Å; L141-A160 HydrophobicContact CD1-CB 4.42Å |
| 142 | S | 98.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 118 | -177.2 | -175.4 | 0 | 0 | 0 | 0 | 111.1 | Q123 F125 G127 C128 W129 | Q123-S142 WeakPolarHBondContact O-CA 2.95Å; F125-S142 WeakPolarHBondContact CB-OG 3.24Å; F125-S142 PolarHBondContact N-OG 3.08Å; G127-S142 PolarHBondContact O-OG 3.45Å; C128-S142 WeakPolarHBondContact CA-O 3.37Å; W129-S142 PolarHBondContact N-O 3.01Å; W129-S142 VanDerWaalsContact NE1-CB 3.3Å; W129-S142 PolarHBondContact O-N 2.88Å |
| 143 | I | 97.9 | Very high | 95.1 | Very high | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 82.1 | 162.8 | -56.1 | -57.2 | 0 | 0 | 0 | 106.7 | L87 A91 I95 F122 Q123 L141 C147 D148 I153 E156 | L87-I143 HydrophobicContact CD2-CB 4.11Å; A91-I143 HydrophobicContact CB-CG2 4.06Å; I95-I143 HydrophobicContact CD1-CG1 4.1Å; I95-I143 HydrophobicContact CG1-CG1 4.35Å; F122-I143 HydrophobicContact CD1-CG1 4.15Å; Q123-I143 PolarHBondContact O-N 3.47Å; L141-I143 HydrophobicContact CD2-CD1 3.43Å; L141-I143 VanDerWaalsContact CD2-CD1 3.43Å; L141-I143 HydrophobicContact CD2-CG1 3.76Å; I143-C147 HydrophobicContact CG2-CB 3.93Å; I143-D148 HydrophobicContact CG2-CB 4.35Å; I143-I153 HydrophobicContact CD1-CB 4.42Å; I143-I153 HydrophobicContact CD1-CG1 3.8Å; I143-I153 HydrophobicContact CG1-CG1 4.4Å; I143-I153 HydrophobicContact CG2-CG1 4.44Å; I143-E156 HydrophobicContact CD1-CG 4.39Å |
| 144 | G | 95 | Very high | 95.3 | Very high | 3 Ų | 3 | 28.1 Ų | 28.1 | 3% | 0.031 | 15% | 0.154 | C | C | . | . | trans | -73 | -174.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114 | F125 G127 G146 C147 | F125-G144 WeakPolarHBondContact O-CA 3.25Å; G127-G144 WeakPolarHBondContact O-CA 3.46Å; G127-G144 PolarHBondContact O-N 3.15Å; G127-G144 VanDerWaalsContact O-N 3.11Å; G144-G146 PolarHBondContact O-N 2.85Å; G144-C147 PolarHBondContact N-SG 3.34Å; G144-C147 VanDerWaalsContact N-SG 3.41Å; G144-C147 WeakPolarHBondContact O-CB 3.13Å; G144-C147 PolarHBondContact O-N 3.48Å; G144-C147 VanDerWaalsContact O-N 3.12Å | ||
| 145 | Q | 91.6 | Very high | 95.6 | Very high | 170 Ų | 170 | 27.6 Ų | 27.6 | 79% | 0.794 | 15% | 0.152 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63 | 124.3 | 173.9 | -177.9 | 176.3 | 1 | 0 | 0 | 110.3 | ||
| 146 | G | 90.9 | Very high | 95.9 | Very high | 26 Ų | 26 | 25.7 Ų | 25.7 | 27% | 0.268 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 88.2 | 0.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | I46 G144 Y149 | I46-G146 VanDerWaalsContact CD1-O 3.3Å; I46-G146 WeakPolarHBondContact CD1-O 3.47Å; G144-G146 PolarHBondContact O-N 2.85Å; G146-Y149 VanDerWaalsContact O-CD2 3.29Å; G146-Y149 WeakPolarHBondContact O-CD2 3.35Å; G146-Y149 WeakPolarHBondContact O-CE2 3.13Å |
| 147 | C | 95.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 12% | 0.12 | C | C | . | . | trans | -97.5 | -4.7 | -179.9 | -53 | 0 | 0 | 0 | 0 | 113.4 | C128 I143 G144 Y149 I152 | C128-C147 WeakPolarHBondContact CA-SG 3.26Å; C128-C147 HydrophobicContact CB-CB 3.74Å; C128-C147 WeakPolarHBondContact CB-SG 3.35Å; C128-C147 PolarHBondContact N-SG 2.88Å; C128-C147 WeakPolarHBondContact SG-CB 3.31Å; C128-C147 CovalentContact SG-SG 2.03Å; C128-C147 PolarHBondContact SG-SG 3.23Å; I143-C147 HydrophobicContact CG2-CB 3.93Å; G144-C147 PolarHBondContact N-SG 3.34Å; G144-C147 VanDerWaalsContact N-SG 3.41Å; G144-C147 WeakPolarHBondContact O-CB 3.13Å; G144-C147 PolarHBondContact O-N 3.48Å; G144-C147 VanDerWaalsContact O-N 3.12Å; C147-Y149 PolarHBondContact O-N 2.9Å; C147-I152 HydrophobicContact CB-CG2 4.09Å | ||
| 148 | D | 94.9 | Very high | 96.5 | Very high | 44 Ų | 44 | 17.5 Ų | 17.5 | 24% | 0.235 | 10% | 0.1 | C | C | . | . | trans | -79.7 | 30.5 | -173.1 | 57.4 | -37.3 | 0 | 0 | 0 | 114.1 | N90 A91 A94 I143 | N90-D148 PolarHBondContact ND2-OD2 3.3Å; A91-D148 HydrophobicContact CB-CB 3.85Å; A94-D148 WeakPolarHBondContact CB-O 3.26Å; I143-D148 HydrophobicContact CG2-CB 4.35Å | ||
| 149 | Y | 94.8 | Very high | 96.7 | Very high | 34 Ų | 34 | 16 Ų | 16 | 13% | 0.133 | 9% | 0.085 | C | C | . | . | S | Bend | trans | -96.1 | 138.5 | 171.9 | -64.4 | -90 | 0 | 0 | 0 | 110.1 | Q40 G146 C147 A151 I152 I153 M525 | Q40-Y149 HydrophobicContact CB-CE1 4.32Å; Q40-Y149 HydrophobicContact CG-CD1 4.19Å; Q40-Y149 HydrophobicContact CG-CD2 4.18Å; Q40-Y149 HydrophobicContact CG-CE1 3.92Å; Q40-Y149 HydrophobicContact CG-CE2 3.91Å; Q40-Y149 HydrophobicContact CG-CG 4.32Å; G146-Y149 VanDerWaalsContact O-CD2 3.29Å; G146-Y149 WeakPolarHBondContact O-CD2 3.35Å; G146-Y149 WeakPolarHBondContact O-CE2 3.13Å; C147-Y149 PolarHBondContact O-N 2.9Å; Y149-A151 VanDerWaalsContact C-N 3.34Å; Y149-A151 PolarHBondContact O-N 3.29Å; Y149-I152 HydrophobicContact CD2-CD1 4.06Å; Y149-I152 PolarHBondContact O-N 3.01Å; Y149-I153 WeakPolarHBondContact O-CG1 3.33Å; Y149-I153 PolarHBondContact O-N 3.15Å; Y149-M525 HydrophobicContact CD1-SD 3.87Å; Y149-M525 HydrophobicContact CE1-SD 3.87Å |
| 150 | K | 96.6 | Very high | 96.8 | Very high | 4 Ų | 4 | 15.9 Ų | 15.9 | 2% | 0.017 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -46.8 | -53.5 | -178.2 | -176.4 | -167.7 | 72.5 | 78 | 0 | 112.5 | Y97 M101 I152 I153 E154 L243 D244 | Y97-K150 HydrophobicContact CD1-CB 4.24Å; Y97-K150 HydrophobicContact CD1-CD 3.94Å; Y97-K150 HydrophobicContact CD1-CG 4.04Å; Y97-K150 HydrophobicContact CE1-CB 4.3Å; Y97-K150 HydrophobicContact CE1-CD 3.47Å; Y97-K150 VanDerWaalsContact CE1-CD 3.47Å; Y97-K150 HydrophobicContact CE1-CG 4.07Å; M101-K150 HydrophobicContact CG-CD 3.97Å; K150-I152 VanDerWaalsContact C-N 3.34Å; K150-I152 PolarHBondContact O-N 3.29Å; K150-I153 PolarHBondContact O-N 2.83Å; K150-E154 HydrophobicContact CG-CG 4.42Å; K150-E154 WeakPolarHBondContact CG-OE1 3.3Å; K150-E154 VanDerWaalsContact NZ-CD 3.26Å; K150-E154 IonicContact NZ-OE1 3.47Å; K150-E154 PolarHBondContact NZ-OE1 2.02Å; K150-E154 IonicContact NZ-OE2 2.87Å; K150-E154 PolarHBondContact NZ-OE2 3.32Å; K150-E154 WeakPolarHBondContact O-CB 3.33Å; K150-E154 VanDerWaalsContact O-CG 3.3Å; K150-E154 WeakPolarHBondContact O-CG 3.27Å; K150-E154 PolarHBondContact O-N 3.11Å; K150-L243 VanDerWaalsContact CE-O 3.26Å; K150-L243 WeakPolarHBondContact CE-O 3.36Å; K150-L243 PolarHBondContact NZ-O 2.84Å; K150-D244 IonicContact NZ-OD1 2.85Å; K150-D244 IonicContact NZ-OD2 3.61Å; K150-D244 PolarHBondContact NZ-OD2 3.26Å |
| 151 | A | 96.7 | Very high | 96.8 | Very high | 4 Ų | 4 | 13.7 Ų | 13.7 | 3% | 0.033 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -64.7 | -32.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y149 H155 L211 R242 | Y149-A151 VanDerWaalsContact C-N 3.34Å; Y149-A151 PolarHBondContact O-N 3.29Å; A151-H155 WeakPolarHBondContact O-CB 3.37Å; A151-H155 PolarHBondContact O-N 2.92Å; A151-L211 HydrophobicContact CB-CD1 3.86Å; A151-R242 HydrophobicContact CB-CB 4.05Å; A151-R242 WeakPolarHBondContact CB-O 3.46Å |
| 152 | I | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -69.8 | -44.1 | 175.1 | -66.8 | 179.2 | 0 | 0 | 0 | 109.6 | I43 I46 C128 C147 Y149 K150 E154 H155 E156 | I43-I152 HydrophobicContact CD1-CB 4.44Å; I43-I152 HydrophobicContact CD1-CG1 4.3Å; I43-I152 HydrophobicContact CD1-CG2 3.97Å; I43-I152 HydrophobicContact CG1-CB 4.4Å; I43-I152 HydrophobicContact CG1-CD1 4.2Å; I43-I152 HydrophobicContact CG1-CG1 3.97Å; I43-I152 HydrophobicContact CG1-CG2 3.81Å; I46-I152 HydrophobicContact CD1-CD1 4.32Å; C128-I152 HydrophobicContact CB-CG2 3.91Å; C147-I152 HydrophobicContact CB-CG2 4.09Å; Y149-I152 HydrophobicContact CD2-CD1 4.06Å; Y149-I152 PolarHBondContact O-N 3.01Å; K150-I152 VanDerWaalsContact C-N 3.34Å; K150-I152 PolarHBondContact O-N 3.29Å; I152-E154 VanDerWaalsContact C-N 3.33Å; I152-E154 PolarHBondContact O-N 3.47Å; I152-H155 WeakPolarHBondContact O-CB 3.3Å; I152-H155 PolarHBondContact O-N 2.83Å; I152-E156 WeakPolarHBondContact O-CG 3.43Å; I152-E156 PolarHBondContact O-N 2.88Å |
| 153 | I | 98.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -63.1 | -42.4 | 177.4 | -61.9 | 159 | 0 | 0 | 0 | 110.9 | A94 I95 A98 I143 Y149 K150 H155 E156 I157 | A94-I153 HydrophobicContact CB-CD1 3.61Å; I95-I153 HydrophobicContact CB-CG2 4.46Å; I95-I153 HydrophobicContact CG1-CD1 3.99Å; I95-I153 HydrophobicContact CG1-CG1 4.34Å; I95-I153 HydrophobicContact CG1-CG2 4Å; A98-I153 HydrophobicContact CB-CB 4.17Å; A98-I153 HydrophobicContact CB-CG2 3.75Å; I143-I153 HydrophobicContact CD1-CB 4.42Å; I143-I153 HydrophobicContact CD1-CG1 3.8Å; I143-I153 HydrophobicContact CG1-CG1 4.4Å; I143-I153 HydrophobicContact CG2-CG1 4.44Å; Y149-I153 WeakPolarHBondContact O-CG1 3.33Å; Y149-I153 PolarHBondContact O-N 3.15Å; K150-I153 PolarHBondContact O-N 2.83Å; I153-H155 VanDerWaalsContact C-N 3.31Å; I153-H155 PolarHBondContact O-N 3.01Å; I153-E156 PolarHBondContact O-N 2.78Å; I153-I157 HydrophobicContact CG2-CD1 3.74Å; I153-I157 HydrophobicContact CG2-CG1 4.41Å; I153-I157 WeakPolarHBondContact O-CB 3.48Å; I153-I157 VanDerWaalsContact O-CG1 3.23Å; I153-I157 WeakPolarHBondContact O-CG1 3.45Å; I153-I157 PolarHBondContact O-N 2.95Å |
| 154 | E | 98.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -58 | -42.5 | 174.1 | -74.6 | 169.6 | 170.6 | 0 | 0 | 111.9 | A98 M101 F102 K150 I152 I157 L158 L211 F245 | A98-E154 HydrophobicContact CB-CG 4.04Å; M101-E154 VanDerWaalsContact CB-OE1 3.27Å; M101-E154 WeakPolarHBondContact CB-OE1 2.98Å; M101-E154 VanDerWaalsContact CG-OE1 3.23Å; M101-E154 WeakPolarHBondContact CG-OE1 3.43Å; F102-E154 HydrophobicContact CE2-CG 4.32Å; K150-E154 HydrophobicContact CG-CG 4.42Å; K150-E154 WeakPolarHBondContact CG-OE1 3.3Å; K150-E154 VanDerWaalsContact NZ-CD 3.26Å; K150-E154 IonicContact NZ-OE1 3.47Å; K150-E154 PolarHBondContact NZ-OE1 2.02Å; K150-E154 IonicContact NZ-OE2 2.87Å; K150-E154 PolarHBondContact NZ-OE2 3.32Å; K150-E154 WeakPolarHBondContact O-CB 3.33Å; K150-E154 VanDerWaalsContact O-CG 3.3Å; K150-E154 WeakPolarHBondContact O-CG 3.27Å; K150-E154 PolarHBondContact O-N 3.11Å; I152-E154 VanDerWaalsContact C-N 3.33Å; I152-E154 PolarHBondContact O-N 3.47Å; E154-I157 PolarHBondContact O-N 2.86Å; E154-L158 WeakPolarHBondContact O-CG 2.89Å; E154-L158 PolarHBondContact O-N 3.38Å; E154-L211 HydrophobicContact CB-CD2 3.6Å; E154-F245 HydrophobicContact CB-CE1 3.73Å; E154-F245 HydrophobicContact CB-CE2 4.45Å; E154-F245 HydrophobicContact CB-CZ 3.62Å; E154-F245 HydrophobicContact CG-CE1 4.17Å; E154-F245 HydrophobicContact CG-CE2 3.99Å; E154-F245 HydrophobicContact CG-CZ 3.52Å |
| 155 | H | 98.8 | Very high | 96.3 | Very high | 1 Ų | 1 | 14.6 Ų | 14.6 | 1% | 0.005 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -61.1 | -50.3 | 175.9 | -179.6 | 106.9 | 0 | 0 | 0 | 112.2 | I43 D58 A151 I152 I153 I157 L158 H159 H165 L211 M212 | I43-H155 HydrophobicContact CD1-CB 4.1Å; I43-H155 VanDerWaalsContact CD1-CD2 3.41Å; I43-H155 WeakPolarHBondContact CD1-CD2 3.44Å; D58-H155 IonicContact OD2-CD2 3.84Å; D58-H155 IonicContact OD2-NE2 2.88Å; D58-H155 PolarHBondContact OD2-NE2 2.81Å; A151-H155 WeakPolarHBondContact O-CB 3.37Å; A151-H155 PolarHBondContact O-N 2.92Å; I152-H155 WeakPolarHBondContact O-CB 3.3Å; I152-H155 PolarHBondContact O-N 2.83Å; I153-H155 VanDerWaalsContact C-N 3.31Å; I153-H155 PolarHBondContact O-N 3.01Å; H155-I157 VanDerWaalsContact C-N 3.27Å; H155-I157 PolarHBondContact O-N 3.02Å; H155-L158 WeakPolarHBondContact O-CB 3.38Å; H155-L158 PolarHBondContact O-N 2.94Å; H155-H159 AromaticContact CD2-CD2 3.66Å; H155-H159 AromaticContact CD2-NE2 3.59Å; H155-H159 AromaticContact CE1-NE2 3.99Å; H155-H159 AromaticContact NE2-CD2 3.65Å; H155-H159 AromaticContact NE2-CE1 3.99Å; H155-H159 AromaticContact NE2-NE2 3.05Å; H155-H159 PolarHBondContact NE2-NE2 2.82Å; H155-H159 PolarHBondContact O-N 2.89Å; H155-H165 AromaticContact CE1-CD2 3.72Å; H155-H165 AromaticContact CE1-NE2 3.59Å; H155-H165 AromaticContact NE2-NE2 3.49Å; H155-H165 PolarHBondContact NE2-NE2 2.75Å; H155-L211 HydrophobicContact CB-CD2 4.28Å; H155-L211 HydrophobicContact CB-CG 4.18Å; H155-L211 PolarHBondContact ND1-O 3.42Å; H155-M212 HydrophobicContact CB-SD 4.38Å; H155-M212 PolarHBondContact ND1-SD 3.39Å |
| 156 | E | 98.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 6.7 Ų | 6.7 | 0% | 0 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -64.6 | -32.1 | 179 | -62.3 | -55.1 | 162.3 | 0 | 0 | 112.8 | C128 W129 S130 L141 I143 I152 I153 H159 A160 | C128-E156 HydrophobicContact CB-CG 4.41Å; C128-E156 WeakPolarHBondContact CB-OE1 3.45Å; W129-E156 WeakPolarHBondContact CA-OE2 3.19Å; W129-E156 PolarHBondContact N-OE1 3.09Å; W129-E156 PolarHBondContact N-OE2 2.88Å; S130-E156 WeakPolarHBondContact CB-O 3.32Å; S130-E156 WeakPolarHBondContact CB-OE2 3.43Å; S130-E156 PolarHBondContact N-OE2 3.39Å; S130-E156 VanDerWaalsContact N-OE2 3.07Å; S130-E156 PolarHBondContact OG-O 2.92Å; L141-E156 HydrophobicContact CD1-CB 4.03Å; L141-E156 HydrophobicContact CD2-CB 3.74Å; L141-E156 HydrophobicContact CD2-CG 4.35Å; L141-E156 HydrophobicContact CG-CB 4.02Å; I143-E156 HydrophobicContact CD1-CG 4.39Å; I152-E156 WeakPolarHBondContact O-CG 3.43Å; I152-E156 PolarHBondContact O-N 2.88Å; I153-E156 PolarHBondContact O-N 2.78Å; E156-H159 WeakPolarHBondContact O-CB 3.25Å; E156-H159 PolarHBondContact O-N 2.94Å; E156-H159 IonicContact OE2-CD2 2.85Å; E156-A160 PolarHBondContact O-N 3.08Å; E156-A160 VanDerWaalsContact O-N 3.08Å |
| 157 | I | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 5.5 Ų | 5.5 | 0% | 0 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -72.1 | -35.9 | 173.7 | -67.1 | 168.2 | 0 | 0 | 0 | 110.8 | F99 F102 F110 F122 L141 I153 E154 H155 H159 A160 L161 | F99-I157 HydrophobicContact CD1-CD1 4.03Å; F99-I157 HydrophobicContact CE1-CD1 3.76Å; F102-I157 HydrophobicContact CD2-CD1 4.47Å; F102-I157 HydrophobicContact CD2-CG2 4.24Å; F102-I157 HydrophobicContact CE1-CG2 4.08Å; F102-I157 HydrophobicContact CE2-CB 3.72Å; F102-I157 HydrophobicContact CE2-CD1 3.87Å; F102-I157 HydrophobicContact CE2-CG1 4.41Å; F102-I157 HydrophobicContact CE2-CG2 3.41Å; F102-I157 VanDerWaalsContact CE2-CG2 3.41Å; F102-I157 HydrophobicContact CZ-CB 3.74Å; F102-I157 HydrophobicContact CZ-CG2 3.3Å; F110-I157 HydrophobicContact CE1-CG2 4.3Å; F110-I157 HydrophobicContact CZ-CD1 4.49Å; F110-I157 HydrophobicContact CZ-CG2 3.79Å; F122-I157 HydrophobicContact CE1-CD1 4.17Å; F122-I157 HydrophobicContact CE1-CG1 4.07Å; F122-I157 HydrophobicContact CZ-CD1 4.13Å; F122-I157 HydrophobicContact CZ-CG1 4.09Å; L141-I157 HydrophobicContact CD1-CG1 4.13Å; I153-I157 HydrophobicContact CG2-CD1 3.74Å; I153-I157 HydrophobicContact CG2-CG1 4.41Å; I153-I157 WeakPolarHBondContact O-CB 3.48Å; I153-I157 VanDerWaalsContact O-CG1 3.23Å; I153-I157 WeakPolarHBondContact O-CG1 3.45Å; I153-I157 PolarHBondContact O-N 2.95Å; E154-I157 PolarHBondContact O-N 2.86Å; H155-I157 VanDerWaalsContact C-N 3.27Å; H155-I157 PolarHBondContact O-N 3.02Å; I157-H159 VanDerWaalsContact C-N 3.32Å; I157-H159 PolarHBondContact O-N 2.78Å; I157-A160 CarbonylContact O-C 3.23Å; I157-A160 WeakPolarHBondContact O-CB 3.39Å; I157-A160 PolarHBondContact O-N 2.68Å; I157-A160 VanDerWaalsContact O-N 3.14Å; I157-L161 HydrophobicContact CG2-CD1 3.9Å; I157-L161 HydrophobicContact CG2-CG 4.32Å; I157-L161 WeakPolarHBondContact O-CB 3.46Å; I157-L161 VanDerWaalsContact O-CG 3.27Å; I157-L161 WeakPolarHBondContact O-CG 3.16Å; I157-L161 PolarHBondContact O-N 2.91Å |
| 158 | L | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 5.5 Ų | 5.5 | 0% | 0 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -61.7 | -40.2 | 172.4 | -79.5 | 178.2 | 0 | 0 | 0 | 111.7 | F102 E154 H155 L161 G162 F163 L211 M212 F245 L253 | F102-L158 HydrophobicContact CE1-CD2 4.29Å; F102-L158 HydrophobicContact CZ-CG 4.47Å; E154-L158 WeakPolarHBondContact O-CG 2.89Å; E154-L158 PolarHBondContact O-N 3.38Å; H155-L158 WeakPolarHBondContact O-CB 3.38Å; H155-L158 PolarHBondContact O-N 2.94Å; L158-L161 HydrophobicContact CD2-CD1 4.35Å; L158-L161 CarbonylContact O-C 3.56Å; L158-L161 PolarHBondContact O-N 3.13Å; L158-L161 VanDerWaalsContact O-N 3.17Å; L158-G162 PolarHBondContact O-N 3.35Å; L158-G162 VanDerWaalsContact O-N 3.14Å; L158-F163 HydrophobicContact CB-CB 4.15Å; L158-F163 HydrophobicContact CB-CD2 4.42Å; L158-F163 HydrophobicContact CB-CG 4.31Å; L158-F163 HydrophobicContact CD2-CD2 3.98Å; L158-F163 HydrophobicContact CD2-CE2 4.05Å; L158-F163 HydrophobicContact CD2-CG 4.31Å; L158-F163 HydrophobicContact CD2-CZ 4.45Å; L158-F163 WeakPolarHBondContact O-CB 3.38Å; L158-F163 WeakPolarHBondContact O-CD2 3.45Å; L158-F163 PolarHBondContact O-N 2.97Å; L158-L211 HydrophobicContact CD1-CD2 4.26Å; L158-M212 HydrophobicContact CB-CE 4.18Å; L158-M212 HydrophobicContact CB-CG 4.49Å; L158-M212 HydrophobicContact CB-SD 3.55Å; L158-M212 VanDerWaalsContact CB-SD 3.55Å; L158-M212 HydrophobicContact CD1-CG 3.87Å; L158-M212 HydrophobicContact CD1-SD 3.49Å; L158-M212 WeakPolarHBondContact CD1-SD 3.43Å; L158-M212 HydrophobicContact CG-SD 4.19Å; L158-F245 HydrophobicContact CD1-CD1 3.8Å; L158-F245 HydrophobicContact CD1-CE1 3.76Å; L158-F245 HydrophobicContact CD2-CE1 4.2Å; L158-F245 HydrophobicContact CG-CD1 4.35Å; L158-F245 HydrophobicContact CG-CE1 3.85Å; L158-L253 HydrophobicContact CD2-CD1 4.44Å; L158-L253 HydrophobicContact CD2-CD2 4.31Å |
| 159 | H | 97.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 3.7 Ų | 3.7 | 0% | 0 | 2% | 0.017 | C | C | . | . | H | α-helix | trans | -55.6 | -52.7 | 168.2 | -76.1 | -42.7 | 0 | 0 | 0 | 111.1 | D58 E131 V132 G133 H155 E156 I157 L161 G162 F163 H165 M212 | D58-H159 IonicContact OD1-NE2 2.88Å; D58-H159 PolarHBondContact OD1-NE2 3.09Å; D58-H159 IonicContact OD2-NE2 3.68Å; E131-H159 CarbonylContact O-C 3.6Å; E131-H159 VanDerWaalsContact O-C 3.31Å; V132-H159 VanDerWaalsContact CA-O 3.26Å; V132-H159 WeakPolarHBondContact CA-O 3.26Å; V132-H159 HydrophobicContact CG2-CB 4.42Å; G133-H159 PolarHBondContact N-O 2.97Å; G133-H159 VanDerWaalsContact N-O 3.13Å; H155-H159 AromaticContact CD2-CD2 3.66Å; H155-H159 AromaticContact CD2-NE2 3.59Å; H155-H159 AromaticContact CE1-NE2 3.99Å; H155-H159 AromaticContact NE2-CD2 3.65Å; H155-H159 AromaticContact NE2-CE1 3.99Å; H155-H159 AromaticContact NE2-NE2 3.05Å; H155-H159 PolarHBondContact NE2-NE2 2.82Å; H155-H159 PolarHBondContact O-N 2.89Å; E156-H159 WeakPolarHBondContact O-CB 3.25Å; E156-H159 PolarHBondContact O-N 2.94Å; E156-H159 IonicContact OE2-CD2 2.85Å; I157-H159 VanDerWaalsContact C-N 3.32Å; I157-H159 PolarHBondContact O-N 2.78Å; H159-L161 PolarHBondContact O-N 2.88Å; H159-L161 VanDerWaalsContact O-N 3.08Å; H159-G162 WeakPolarHBondContact O-CA 3.32Å; H159-G162 PolarHBondContact O-N 3.17Å; H159-F163 PolarHBondContact ND1-O 2.86Å; H159-H165 AromaticContact CE1-CE1 3.83Å; H159-H165 AromaticContact CE1-NE2 3.93Å; H159-H165 AromaticContact NE2-CE1 3.78Å; H159-H165 AromaticContact NE2-NE2 3.69Å; H159-M212 WeakPolarHBondContact CE1-CE 3.32Å; H159-M212 WeakPolarHBondContact ND1-CE 3.31Å; H159-M212 WeakPolarHBondContact NE2-CE 3.45Å |
| 160 | A | 97.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 5.7 Ų | 5.7 | 0% | 0 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -56.9 | -30.8 | 178 | 0 | 0 | 0 | 0 | 0 | 113 | W75 I120 E131 G133 L141 E156 I157 G162 | W75-A160 PolarHBondContact NE1-O 2.85Å; I120-A160 HydrophobicContact CD1-CB 3.76Å; E131-A160 VanDerWaalsContact O-CA 3.28Å; E131-A160 WeakPolarHBondContact O-CA 3.46Å; E131-A160 PolarHBondContact O-N 2.78Å; G133-A160 CarbonylContact C-O 3.5Å; G133-A160 VanDerWaalsContact C-O 3.23Å; G133-A160 WeakPolarHBondContact CA-O 3.21Å; G133-A160 PolarHBondContact N-O 2.78Å; L141-A160 HydrophobicContact CD1-CB 4.42Å; E156-A160 PolarHBondContact O-N 3.08Å; E156-A160 VanDerWaalsContact O-N 3.08Å; I157-A160 CarbonylContact O-C 3.23Å; I157-A160 WeakPolarHBondContact O-CB 3.39Å; I157-A160 PolarHBondContact O-N 2.68Å; I157-A160 VanDerWaalsContact O-N 3.14Å; A160-G162 VanDerWaalsContact C-N 3.31Å |
| 161 | L | 96.1 | Very high | 96.7 | Very high | 1 Ų | 1 | 7.2 Ų | 7.2 | 1% | 0.005 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -78 | -11.6 | 175.7 | -71.2 | 165.2 | 0 | 0 | 0 | 113.8 | F77 I79 F102 V108 I157 L158 H159 F163 L253 M256 Y257 | F77-L161 HydrophobicContact CE1-CD2 3.9Å; F77-L161 HydrophobicContact CZ-CD2 4.07Å; I79-L161 HydrophobicContact CD1-CD2 3.79Å; F102-L161 HydrophobicContact CD1-CD1 4.25Å; F102-L161 HydrophobicContact CE1-CD1 3.52Å; F102-L161 HydrophobicContact CZ-CD1 4.05Å; V108-L161 HydrophobicContact CG1-CD1 4.35Å; V108-L161 HydrophobicContact CG1-CD2 4.2Å; V108-L161 HydrophobicContact CG2-CD1 4.19Å; V108-L161 HydrophobicContact CG2-CD2 4.32Å; I157-L161 HydrophobicContact CG2-CD1 3.9Å; I157-L161 HydrophobicContact CG2-CG 4.32Å; I157-L161 WeakPolarHBondContact O-CB 3.46Å; I157-L161 VanDerWaalsContact O-CG 3.27Å; I157-L161 WeakPolarHBondContact O-CG 3.16Å; I157-L161 PolarHBondContact O-N 2.91Å; L158-L161 HydrophobicContact CD2-CD1 4.35Å; L158-L161 CarbonylContact O-C 3.56Å; L158-L161 PolarHBondContact O-N 3.13Å; L158-L161 VanDerWaalsContact O-N 3.17Å; H159-L161 PolarHBondContact O-N 2.88Å; H159-L161 VanDerWaalsContact O-N 3.08Å; L161-F163 HydrophobicContact CB-CD2 4.42Å; L161-L253 HydrophobicContact CB-CD1 4.42Å; L161-L253 HydrophobicContact CD1-CD1 3.85Å; L161-M256 WeakPolarHBondContact O-CE 3.11Å; L161-Y257 HydrophobicContact CB-CE2 4.21Å; L161-Y257 HydrophobicContact CD2-CE2 3.78Å; L161-Y257 WeakPolarHBondContact CD2-OH 3.31Å; L161-Y257 PolarHBondContact O-OH 3.16Å |
| 162 | G | 93.6 | Very high | 96.8 | Very high | 3 Ų | 3 | 7.2 Ų | 7.2 | 3% | 0.031 | 4% | 0.04 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 117 | 8.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | L68 L158 H159 A160 | L68-G162 WeakPolarHBondContact CA-O 3.49Å; L68-G162 WeakPolarHBondContact CB-O 3.35Å; L68-G162 VanDerWaalsContact CD1-O 3.31Å; L68-G162 WeakPolarHBondContact CD1-O 3.42Å; L68-G162 PolarHBondContact N-O 3.46Å; L158-G162 PolarHBondContact O-N 3.35Å; L158-G162 VanDerWaalsContact O-N 3.14Å; H159-G162 WeakPolarHBondContact O-CA 3.32Å; H159-G162 PolarHBondContact O-N 3.17Å; A160-G162 VanDerWaalsContact C-N 3.31Å |
| 163 | F | 94.3 | Very high | 96.8 | Very high | 5 Ų | 5 | 11.2 Ų | 11.2 | 2% | 0.022 | 6% | 0.061 | C | C | . | . | trans | -83.6 | 143 | -179 | -73.1 | -111.1 | 0 | 0 | 0 | 112 | L68 L158 H159 L161 M212 R252 L253 M256 | L68-F163 HydrophobicContact CD1-CD1 4.24Å; L68-F163 HydrophobicContact CD1-CD2 3.84Å; L68-F163 HydrophobicContact CD1-CE1 4.3Å; L68-F163 HydrophobicContact CD1-CE2 3.91Å; L68-F163 HydrophobicContact CD1-CG 3.99Å; L68-F163 HydrophobicContact CD1-CZ 4.13Å; L158-F163 HydrophobicContact CB-CB 4.15Å; L158-F163 HydrophobicContact CB-CD2 4.42Å; L158-F163 HydrophobicContact CB-CG 4.31Å; L158-F163 HydrophobicContact CD2-CD2 3.98Å; L158-F163 HydrophobicContact CD2-CE2 4.05Å; L158-F163 HydrophobicContact CD2-CG 4.31Å; L158-F163 HydrophobicContact CD2-CZ 4.45Å; L158-F163 WeakPolarHBondContact O-CB 3.38Å; L158-F163 WeakPolarHBondContact O-CD2 3.45Å; L158-F163 PolarHBondContact O-N 2.97Å; H159-F163 PolarHBondContact ND1-O 2.86Å; L161-F163 HydrophobicContact CB-CD2 4.42Å; F163-M212 HydrophobicContact CB-CE 4.36Å; F163-M212 HydrophobicContact CB-CG 4.45Å; F163-R252 HydrophobicContact CE1-CB 3.77Å; F163-R252 HydrophobicContact CZ-CB 3.98Å; F163-L253 HydrophobicContact CE2-CB 4.25Å; F163-L253 HydrophobicContact CE2-CD1 3.84Å; F163-L253 HydrophobicContact CZ-CB 3.89Å; F163-L253 HydrophobicContact CZ-CD1 4.34Å; F163-M256 HydrophobicContact CD2-CE 4.03Å; F163-M256 HydrophobicContact CE2-CE 3.44Å; F163-M256 VanDerWaalsContact CE2-CE 3.44Å; F163-M256 HydrophobicContact CZ-CE 4.31Å | ||
| 164 | Y | 94.4 | Very high | 96.8 | Very high | 13 Ų | 13 | 17 Ų | 17 | 5% | 0.051 | 9% | 0.092 | C | C | . | . | trans | -106.5 | 174.6 | 163.6 | -74.9 | -79.8 | 0 | 0 | 0 | 109.5 | F55 I59 N66 G67 V132 L198 I199 | F55-Y164 HydrophobicContact CD1-CE1 4.26Å; F55-Y164 HydrophobicContact CE1-CD1 4.02Å; F55-Y164 AromaticContact CE1-CE1 3.65Å; F55-Y164 HydrophobicContact CE1-CE1 3.65Å; I59-Y164 HydrophobicContact CD1-CD1 3.49Å; I59-Y164 VanDerWaalsContact CD1-CD1 3.49Å; I59-Y164 HydrophobicContact CD1-CE1 3.82Å; N66-Y164 PolarHBondContact O-OH 3.46Å; N66-Y164 VanDerWaalsContact O-OH 3.07Å; G67-Y164 VanDerWaalsContact CA-CE2 3.49Å; V132-Y164 HydrophobicContact CB-CE1 4.35Å; V132-Y164 HydrophobicContact CG1-CD2 4.26Å; V132-Y164 HydrophobicContact CG1-CE1 4.36Å; V132-Y164 HydrophobicContact CG1-CE2 3.83Å; V132-Y164 HydrophobicContact CG2-CD1 4.26Å; V132-Y164 HydrophobicContact CG2-CE1 3.79Å; Y164-L198 HydrophobicContact CE2-CD1 3.72Å; Y164-L198 HydrophobicContact CE2-CG 4.09Å; Y164-I199 HydrophobicContact CD2-CD1 4.48Å; Y164-I199 HydrophobicContact CD2-CG1 3.91Å; Y164-I199 HydrophobicContact CG-CD1 4.14Å; Y164-I199 HydrophobicContact CG-CG1 4.07Å | ||
| 165 | H | 96.9 | Very high | 96.7 | Very high | 2 Ų | 2 | 20.4 Ų | 20.4 | 1% | 0.009 | 11% | 0.106 | C | C | . | . | trans | -69.4 | 143.8 | 179.6 | -65.3 | 109.8 | 0 | 0 | 0 | 114.4 | Q56 D58 H155 H159 Q167 S168 M212 Y214 | Q56-H165 WeakPolarHBondContact CB-ND1 3.47Å; Q56-H165 PolarHBondContact O-CE1 2.79Å; Q56-H165 VanDerWaalsContact O-CE1 3.28Å; Q56-H165 PolarHBondContact OE1-ND1 3.14Å; Q56-H165 VanDerWaalsContact OE1-ND1 3.15Å; D58-H165 IonicContact OD1-CE1 3.76Å; D58-H165 PolarHBondContact OD1-CE1 3.23Å; D58-H165 IonicContact OD1-NE2 3.32Å; D58-H165 IonicContact OD2-CE1 3.13Å; D58-H165 IonicContact OD2-NE2 3.75Å; D58-H165 PolarHBondContact OD2-NE2 3Å; H155-H165 AromaticContact CE1-CD2 3.72Å; H155-H165 AromaticContact CE1-NE2 3.59Å; H155-H165 AromaticContact NE2-NE2 3.49Å; H155-H165 PolarHBondContact NE2-NE2 2.75Å; H159-H165 AromaticContact CE1-CE1 3.83Å; H159-H165 AromaticContact CE1-NE2 3.93Å; H159-H165 AromaticContact NE2-CE1 3.78Å; H159-H165 AromaticContact NE2-NE2 3.69Å; H165-Q167 PolarHBondContact O-N 2.67Å; H165-S168 WeakPolarHBondContact CB-OG 3.03Å; H165-S168 WeakPolarHBondContact O-CB 3.47Å; H165-S168 PolarHBondContact O-N 2.61Å; H165-S168 PolarHBondContact O-OG 3.2Å; H165-M212 CarbonylContact C-O 3.56Å; H165-M212 WeakPolarHBondContact CA-O 3.39Å; H165-M212 WeakPolarHBondContact CB-O 3.33Å; H165-M212 PolarHBondContact CD2-O 2.89Å; H165-M212 VanDerWaalsContact CD2-O 3.26Å; H165-Y214 AromaticContact CD2-CD1 3.97Å; H165-Y214 AromaticContact CD2-CE1 3.67Å; H165-Y214 AromaticContact CE1-CE1 3.68Å; H165-Y214 AromaticContact CG-CE1 3.98Å; H165-Y214 AromaticContact NE2-CE1 3.44Å; H165-Y214 WeakPolarHBondContact NE2-CE1 3.37Å | ||
| 166 | E | 97.6 | Very high | 96.7 | Very high | 4 Ų | 4 | 20.4 Ų | 20.4 | 2% | 0.019 | 11% | 0.106 | C | C | . | . | G | 310 helix | trans | -63.8 | -40.3 | -178.2 | -172.4 | 67.4 | -179.8 | 0 | 0 | 112.6 | S168 R169 Y206 D207 M212 H213 R252 | E166-S168 PolarHBondContact O-N 3.23Å; E166-R169 VanDerWaalsContact CD-CD 3.46Å; E166-R169 WeakPolarHBondContact O-CG 3.09Å; E166-R169 PolarHBondContact O-N 2.73Å; E166-R169 WeakPolarHBondContact OE1-CD 3.27Å; E166-R169 IonicContact OE1-NE 2.66Å; E166-R169 IonicContact OE1-NH1 3.39Å; E166-Y206 HydrophobicContact CG-CD2 4.47Å; E166-Y206 HydrophobicContact CG-CE1 4.27Å; E166-Y206 HydrophobicContact CG-CE2 4.1Å; E166-Y206 WeakPolarHBondContact O-CE2 3.46Å; E166-D207 WeakPolarHBondContact CG-O 3.2Å; E166-D207 PolarHBondContact OE1-N 2.93Å; E166-M212 PolarHBondContact N-O 2.67Å; E166-H213 HydrophobicContact CB-CB 4.08Å; E166-R252 IonicContact OE1-CZ 3.76Å; E166-R252 IonicContact OE1-NH1 3.72Å; E166-R252 IonicContact OE1-NH2 3.73Å; E166-R252 PolarHBondContact OE1-NH2 3.44Å; E166-R252 IonicContact OE2-CZ 3.32Å; E166-R252 IonicContact OE2-NH1 3.75Å; E166-R252 PolarHBondContact OE2-NH1 2.77Å; E166-R252 IonicContact OE2-NH2 2.66Å; E166-R252 PolarHBondContact OE2-NH2 3.1Å |
| 167 | Q | 96.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.122 | C | C | . | . | G | 310 helix | trans | -69.7 | 5 | 179.6 | 80.1 | -72.6 | -19.4 | 0 | 0 | 114.3 | H165 R172 Y206 Y214 I228 | H165-Q167 PolarHBondContact O-N 2.67Å; Q167-R172 WeakPolarHBondContact O-CD 3.24Å; Q167-R172 VanDerWaalsContact O-CG 3.24Å; Q167-R172 WeakPolarHBondContact O-CG 3.44Å; Q167-R172 PolarHBondContact O-NH1 2.81Å; Q167-Y206 WeakPolarHBondContact CA-OH 3.33Å; Q167-Y214 VanDerWaalsContact CD-CG 3.41Å; Q167-Y214 HydrophobicContact CG-CD2 4.08Å; Q167-Y214 HydrophobicContact CG-CG 4.16Å; Q167-Y214 VanDerWaalsContact NE2-CE1 3.27Å; Q167-Y214 VanDerWaalsContact NE2-CE2 3.31Å; Q167-Y214 VanDerWaalsContact NE2-CZ 3.32Å; Q167-I228 HydrophobicContact CB-CD1 3.75Å; Q167-I228 HydrophobicContact CG-CD1 4.24Å |
| 168 | S | 95.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.126 | C | C | . | . | G | 310 helix | trans | -110.1 | -2.1 | -177.7 | -37.8 | 0 | 0 | 0 | 0 | 112.5 | Q56 H165 E166 T193 Y194 | Q56-S168 VanDerWaalsContact NE2-CB 3.34Å; Q56-S168 PolarHBondContact NE2-OG 3.08Å; H165-S168 WeakPolarHBondContact CB-OG 3.03Å; H165-S168 WeakPolarHBondContact O-CB 3.47Å; H165-S168 PolarHBondContact O-N 2.61Å; H165-S168 PolarHBondContact O-OG 3.2Å; E166-S168 PolarHBondContact O-N 3.23Å; S168-T193 WeakPolarHBondContact O-CA 3.39Å; S168-Y194 PolarHBondContact O-N 3.08Å |
| 169 | R | 94.8 | Very high | 96.7 | Very high | 7 Ų | 7 | 30.3 Ų | 30.3 | 3% | 0.026 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -53.6 | 149.1 | 172.7 | -73.2 | 174.6 | 54.2 | 133.4 | 10 | 111.2 | E166 D171 R172 I199 D201 T204 P205 | E166-R169 VanDerWaalsContact CD-CD 3.46Å; E166-R169 WeakPolarHBondContact O-CG 3.09Å; E166-R169 PolarHBondContact O-N 2.73Å; E166-R169 WeakPolarHBondContact OE1-CD 3.27Å; E166-R169 IonicContact OE1-NE 2.66Å; E166-R169 IonicContact OE1-NH1 3.39Å; R169-D171 VanDerWaalsContact CB-OD1 3.24Å; R169-D171 WeakPolarHBondContact CB-OD1 3.21Å; R169-D171 IonicContact CZ-OD1 3.23Å; R169-D171 IonicContact CZ-OD2 2.84Å; R169-D171 IonicContact NE-OD1 2.61Å; R169-D171 PolarHBondContact NE-OD1 3.44Å; R169-D171 IonicContact NE-OD2 3.4Å; R169-D171 IonicContact NH2-OD1 3.41Å; R169-D171 PolarHBondContact NH2-OD1 3Å; R169-D171 IonicContact NH2-OD2 3.38Å; R169-D171 PolarHBondContact NH2-OD2 3.21Å; R169-D171 PolarHBondContact O-N 3.08Å; R169-D171 VanDerWaalsContact O-N 3.17Å; R169-R172 HydrophobicContact CB-CB 4.39Å; R169-R172 WeakPolarHBondContact O-CB 3.47Å; R169-R172 WeakPolarHBondContact O-CG 2.97Å; R169-R172 PolarHBondContact O-N 3.12Å; R169-I199 HydrophobicContact CG-CG2 4.45Å; R169-D201 VanDerWaalsContact CZ-CB 3.47Å; R169-D201 IonicContact NH2-OD2 3.56Å; R169-D201 PolarHBondContact NH2-OD2 3.26Å; R169-T204 PolarHBondContact NH1-O 3.18Å; R169-T204 PolarHBondContact NH2-O 3.4Å; R169-P205 PolarHBondContact NH1-O 2.97Å |
| 170 | T | 94.3 | Very high | 96.7 | Very high | 75 Ų | 75 | 35.4 Ų | 35.4 | 46% | 0.46 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -26.7 | 178.3 | -174.8 | 0 | 0 | 0 | 0 | 113.7 | Y194 D196 | T170-Y194 WeakPolarHBondContact CB-O 3.34Å; T170-Y194 PolarHBondContact N-O 3.39Å; T170-D196 WeakPolarHBondContact CG2-OD1 3.44Å |
| 171 | D | 95.4 | Very high | 96.7 | Very high | 37 Ų | 37 | 42 Ų | 42 | 20% | 0.198 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.5 | 5.2 | -176.2 | 62.8 | -13.4 | 0 | 0 | 0 | 112.8 | R169 D173 D174 Y175 | R169-D171 VanDerWaalsContact CB-OD1 3.24Å; R169-D171 WeakPolarHBondContact CB-OD1 3.21Å; R169-D171 IonicContact CZ-OD1 3.23Å; R169-D171 IonicContact CZ-OD2 2.84Å; R169-D171 IonicContact NE-OD1 2.61Å; R169-D171 PolarHBondContact NE-OD1 3.44Å; R169-D171 IonicContact NE-OD2 3.4Å; R169-D171 IonicContact NH2-OD1 3.41Å; R169-D171 PolarHBondContact NH2-OD1 3Å; R169-D171 IonicContact NH2-OD2 3.38Å; R169-D171 PolarHBondContact NH2-OD2 3.21Å; R169-D171 PolarHBondContact O-N 3.08Å; R169-D171 VanDerWaalsContact O-N 3.17Å; D171-D173 PolarHBondContact O-N 2.95Å; D171-D173 VanDerWaalsContact O-N 3.09Å; D171-D174 WeakPolarHBondContact O-CB 3.31Å; D171-D174 PolarHBondContact O-N 3.43Å; D171-Y175 WeakPolarHBondContact O-CD2 3.41Å |
| 172 | R | 97.3 | Very high | 96.8 | Very high | 3 Ų | 3 | 44.9 Ų | 44.9 | 1% | 0.011 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -57.9 | -31.5 | -173.5 | 72.4 | 98.6 | -171 | -99.5 | -0.7 | 113.5 | Q167 R169 D174 Y175 V176 F191 T193 Y206 | Q167-R172 WeakPolarHBondContact O-CD 3.24Å; Q167-R172 VanDerWaalsContact O-CG 3.24Å; Q167-R172 WeakPolarHBondContact O-CG 3.44Å; Q167-R172 PolarHBondContact O-NH1 2.81Å; R169-R172 HydrophobicContact CB-CB 4.39Å; R169-R172 WeakPolarHBondContact O-CB 3.47Å; R169-R172 WeakPolarHBondContact O-CG 2.97Å; R169-R172 PolarHBondContact O-N 3.12Å; R172-D174 PolarHBondContact O-N 3.33Å; R172-D174 VanDerWaalsContact O-N 3.13Å; R172-Y175 PolarHBondContact O-N 2.95Å; R172-V176 HydrophobicContact CB-CG2 4.37Å; R172-V176 VanDerWaalsContact O-CG2 3.31Å; R172-V176 WeakPolarHBondContact O-CG2 3.34Å; R172-V176 PolarHBondContact O-N 2.04Å; R172-F191 PolarHBondContact NH1-O 3.04Å; R172-F191 PolarHBondContact NH2-O 2.98Å; R172-T193 HydrophobicContact CG-CG2 3.53Å; R172-Y206 HydrophobicContact CB-CD2 4.44Å; R172-Y206 HydrophobicContact CB-CE2 3.62Å |
| 173 | D | 98 | Very high | 97 | Very high | 84 Ų | 84 | 44.8 Ų | 44.8 | 45% | 0.449 | 22% | 0.216 | S | C | . | . | G | 310 helix | trans | -65.5 | -12.9 | 178.8 | -73.4 | -17.6 | 0 | 0 | 0 | 112.8 | D171 Y175 K231 | D171-D173 PolarHBondContact O-N 2.95Å; D171-D173 VanDerWaalsContact O-N 3.09Å; D173-Y175 VanDerWaalsContact C-N 3.33Å; D173-K231 WeakPolarHBondContact O-CE 3.41Å; D173-K231 PolarHBondContact O-NZ 2.92Å |
| 174 | D | 98.2 | Very high | 97.1 | Very high | 121 Ų | 121 | 46.7 Ų | 46.7 | 65% | 0.647 | 23% | 0.226 | S | C | * | . | G | 310 helix | trans | -79.3 | -17.5 | 170.8 | -70.4 | -32.9 | 0 | 0 | 0 | 113 | D171 R172 K231 | D171-D174 WeakPolarHBondContact O-CB 3.31Å; D171-D174 PolarHBondContact O-N 3.43Å; R172-D174 PolarHBondContact O-N 3.33Å; R172-D174 VanDerWaalsContact O-N 3.13Å; D174-K231 WeakPolarHBondContact O-CD 3.26Å |
| 175 | Y | 98.4 | Very high | 97.2 | Very high | 73 Ų | 73 | 51.1 Ų | 51.1 | 29% | 0.286 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.4 | -32.6 | -171 | -63.3 | -83.4 | 0 | 0 | 0 | 113.6 | D171 R172 D173 Y206 Y208 K231 | D171-Y175 WeakPolarHBondContact O-CD2 3.41Å; R172-Y175 PolarHBondContact O-N 2.95Å; D173-Y175 VanDerWaalsContact C-N 3.33Å; Y175-Y206 HydrophobicContact CD1-CD1 4.18Å; Y175-Y206 AromaticContact CD1-CG 3.99Å; Y175-Y206 HydrophobicContact CD1-CG 3.99Å; Y175-Y206 HydrophobicContact CD2-CD1 4.35Å; Y175-Y206 AromaticContact CD2-CD2 3.67Å; Y175-Y206 HydrophobicContact CD2-CD2 3.67Å; Y175-Y206 HydrophobicContact CD2-CE2 4.49Å; Y175-Y206 AromaticContact CD2-CG 3.58Å; Y175-Y206 HydrophobicContact CD2-CG 3.58Å; Y175-Y206 HydrophobicContact CE1-CG 4.46Å; Y175-Y206 HydrophobicContact CE2-CD2 4.27Å; Y175-Y206 HydrophobicContact CE2-CG 4.11Å; Y175-Y206 AromaticContact CG-CD1 3.83Å; Y175-Y206 HydrophobicContact CG-CD1 3.83Å; Y175-Y206 AromaticContact CG-CD2 3.99Å; Y175-Y206 HydrophobicContact CG-CD2 3.99Å; Y175-Y206 AromaticContact CG-CG 3.51Å; Y175-Y206 HydrophobicContact CG-CG 3.51Å; Y175-Y208 WeakPolarHBondContact CA-OH 2.99Å; Y175-Y208 WeakPolarHBondContact CB-OH 3.31Å; Y175-Y208 HydrophobicContact CD1-CE2 4.35Å; Y175-Y208 PolarHBondContact O-OH 2.66Å; Y175-K231 PolarHBondContact O-N 2.57Å |
| 176 | V | 98.6 | Very high | 97 | Very high | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.006 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 158.2 | -176.8 | -60.2 | 0 | 0 | 0 | 0 | 111.4 | R172 I178 Y206 Y208 I228 T229 | R172-V176 HydrophobicContact CB-CG2 4.37Å; R172-V176 VanDerWaalsContact O-CG2 3.31Å; R172-V176 WeakPolarHBondContact O-CG2 3.34Å; R172-V176 PolarHBondContact O-N 2.04Å; V176-I178 HydrophobicContact CG2-CD1 4.2Å; V176-Y206 HydrophobicContact CG1-CE1 4.29Å; V176-Y208 HydrophobicContact CG1-CE1 4.06Å; V176-I228 HydrophobicContact CB-CD1 4.11Å; V176-I228 HydrophobicContact CB-CG1 4.01Å; V176-I228 HydrophobicContact CG1-CD1 4.22Å; V176-I228 HydrophobicContact CG1-CG1 4.32Å; V176-I228 HydrophobicContact CG2-CD1 3.95Å; V176-I228 HydrophobicContact CG2-CG1 4.27Å; V176-T229 CarbonylContact C-O 3.59Å; V176-T229 VanDerWaalsContact CA-O 3.3Å; V176-T229 WeakPolarHBondContact CA-O 3.39Å; V176-T229 WeakPolarHBondContact CB-O 3.44Å |
| 177 | N | 98.4 | Very high | 97 | Very high | 62 Ų | 62 | 55 Ų | 55 | 33% | 0.332 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 131.5 | 167.6 | -55.8 | -60.6 | 0 | 0 | 0 | 108.8 | I228 T229 K231 | N177-I228 WeakPolarHBondContact O-CA 3.5Å; N177-T229 PolarHBondContact N-O 2.88Å; N177-T229 PolarHBondContact O-N 2.79Å; N177-K231 VanDerWaalsContact OD1-CE 3.23Å; N177-K231 WeakPolarHBondContact OD1-CE 3.23Å |
| 178 | I | 98.6 | Very high | 96.9 | Very high | 17 Ų | 17 | 58.1 Ų | 58.1 | 9% | 0.087 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 122.8 | 170.8 | -54.3 | -48 | 0 | 0 | 0 | 109.6 | V176 W180 I183 F191 I228 | V176-I178 HydrophobicContact CG2-CD1 4.2Å; I178-W180 HydrophobicContact CB-CZ2 4.25Å; I178-W180 HydrophobicContact CG2-CD2 3.76Å; I178-W180 HydrophobicContact CG2-CE3 4.18Å; I178-W180 HydrophobicContact CG2-CG 4.16Å; I178-W180 HydrophobicContact CG2-CH2 4.36Å; I178-W180 HydrophobicContact CG2-CZ2 3.95Å; I178-W180 HydrophobicContact CG2-CZ3 4.46Å; I178-W180 PolarHBondContact O-N 3.43Å; I178-I183 HydrophobicContact CG2-CD1 3.78Å; I178-F191 HydrophobicContact CD1-CD1 4.02Å; I178-F191 HydrophobicContact CG2-CB 4.07Å; I178-F191 HydrophobicContact CG2-CD1 4.04Å; I178-F191 HydrophobicContact CG2-CG 4.19Å; I178-I228 HydrophobicContact CD1-CB 4.08Å; I178-I228 HydrophobicContact CD1-CD1 3.72Å; I178-I228 HydrophobicContact CD1-CG1 3.77Å |
| 179 | W | 98 | Very high | 96.8 | Very high | 129 Ų | 129 | 61 Ų | 61 | 49% | 0.489 | 32% | 0.315 | S | S | . | . | trans | -90.1 | 76.4 | 177.3 | -62.2 | 103 | 0 | 0 | 0 | 110.1 | D181 E182 I183 T227 T229 | W179-D181 PolarHBondContact O-N 2.83Å; W179-D181 VanDerWaalsContact O-N 3.13Å; W179-E182 HydrophobicContact CB-CB 4.08Å; W179-E182 HydrophobicContact CB-CG 4Å; W179-E182 WeakPolarHBondContact O-CB 3.38Å; W179-E182 PolarHBondContact O-N 2.7Å; W179-I183 PolarHBondContact O-N 2.86Å; W179-T227 PolarHBondContact N-O 2.87Å; W179-T229 PolarHBondContact NE1-OG1 2.88Å | ||
| 180 | W | 98.1 | Very high | 96.9 | Very high | 106 Ų | 106 | 60.6 Ų | 60.6 | 40% | 0.402 | 31% | 0.313 | S | S | . | . | G | 310 helix | trans | -53.7 | -36 | -173.4 | -64.4 | 99.9 | 0 | 0 | 0 | 114.5 | I178 E182 I183 Q188 F191 | I178-W180 HydrophobicContact CB-CZ2 4.25Å; I178-W180 HydrophobicContact CG2-CD2 3.76Å; I178-W180 HydrophobicContact CG2-CE3 4.18Å; I178-W180 HydrophobicContact CG2-CG 4.16Å; I178-W180 HydrophobicContact CG2-CH2 4.36Å; I178-W180 HydrophobicContact CG2-CZ2 3.95Å; I178-W180 HydrophobicContact CG2-CZ3 4.46Å; I178-W180 PolarHBondContact O-N 3.43Å; W180-E182 PolarHBondContact O-N 2.04Å; W180-I183 HydrophobicContact CD2-CD1 4.27Å; W180-I183 HydrophobicContact CE3-CD1 3.65Å; W180-I183 HydrophobicContact CZ3-CD1 4.17Å; W180-I183 PolarHBondContact O-N 2.96Å; W180-Q188 HydrophobicContact CE3-CB 4.15Å; W180-Q188 HydrophobicContact CE3-CG 4.24Å; W180-Q188 HydrophobicContact CZ3-CB 4.02Å; W180-Q188 WeakPolarHBondContact CZ3-O 3.39Å; W180-F191 HydrophobicContact CH2-CB 3.88Å; W180-F191 HydrophobicContact CZ3-CB 3.94Å |
| 181 | D | 97.8 | Very high | 97.1 | Very high | 138 Ų | 138 | 57 Ų | 57 | 74% | 0.738 | 29% | 0.292 | S | S | * | . | G | 310 helix | trans | -69.8 | -18.3 | 178.8 | -68.2 | -34.3 | 0 | 0 | 0 | 113.2 | W179 K221 | W179-D181 PolarHBondContact O-N 2.83Å; W179-D181 VanDerWaalsContact O-N 3.13Å; D181-K221 WeakPolarHBondContact O-CD 3.47Å; D181-K221 PolarHBondContact O-NZ 2.8Å |
| 182 | E | 97.9 | Very high | 97.1 | Very high | 63 Ų | 63 | 58.6 Ų | 58.6 | 29% | 0.294 | 30% | 0.3 | S | S | . | . | G | 310 helix | trans | -96.6 | -8.3 | -179.2 | -57 | -57.5 | 149.9 | 0 | 0 | 112.9 | W179 W180 N220 K221 V225 T227 | W179-E182 HydrophobicContact CB-CB 4.08Å; W179-E182 HydrophobicContact CB-CG 4Å; W179-E182 WeakPolarHBondContact O-CB 3.38Å; W179-E182 PolarHBondContact O-N 2.7Å; W180-E182 PolarHBondContact O-N 2.04Å; E182-N220 CarbonylContact O-C 3.54Å; E182-N220 WeakPolarHBondContact O-CA 3.37Å; E182-K221 WeakPolarHBondContact O-CG 3.4Å; E182-K221 PolarHBondContact O-N 2.99Å; E182-V225 HydrophobicContact CB-CG1 4.29Å; E182-V225 HydrophobicContact CG-CG1 3.69Å; E182-T227 HydrophobicContact CB-CG2 4.49Å |
| 183 | I | 97.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 32% | 0.316 | C | S | . | . | B | Isolated β-bridge | trans | -78 | 137.8 | 176.9 | -56.9 | 166.8 | 0 | 0 | 0 | 110.2 | I178 W179 W180 S185 Q188 F191 F219 K221 T227 | I178-I183 HydrophobicContact CG2-CD1 3.78Å; W179-I183 PolarHBondContact O-N 2.86Å; W180-I183 HydrophobicContact CD2-CD1 4.27Å; W180-I183 HydrophobicContact CE3-CD1 3.65Å; W180-I183 HydrophobicContact CZ3-CD1 4.17Å; W180-I183 PolarHBondContact O-N 2.96Å; I183-S185 PolarHBondContact O-N 2.82Å; I183-Q188 HydrophobicContact CG2-CG 4.42Å; I183-F191 HydrophobicContact CD1-CB 4.27Å; I183-F191 HydrophobicContact CD1-CD1 4.38Å; I183-F191 HydrophobicContact CD1-CD2 3.51Å; I183-F191 HydrophobicContact CD1-CE2 3.84Å; I183-F191 HydrophobicContact CD1-CG 3.8Å; I183-F191 HydrophobicContact CD1-CZ 4.41Å; I183-F191 HydrophobicContact CG1-CD2 4.12Å; I183-F191 HydrophobicContact CG1-CE2 3.92Å; I183-F191 HydrophobicContact CG1-CZ 4.3Å; I183-F191 HydrophobicContact CG2-CD2 4.09Å; I183-F191 HydrophobicContact CG2-CE2 3.76Å; I183-F219 HydrophobicContact CG2-CB 4.4Å; I183-K221 WeakPolarHBondContact O-CD 3.36Å; I183-K221 WeakPolarHBondContact O-CE 3.45Å; I183-K221 PolarHBondContact O-NZ 2.88Å; I183-T227 HydrophobicContact CB-CG2 4.34Å; I183-T227 HydrophobicContact CG1-CG2 3.76Å |
| 184 | L | 96.6 | Very high | 96.5 | Very high | 46 Ų | 46 | 58.1 Ų | 58.1 | 24% | 0.241 | 30% | 0.299 | C | S | . | . | P | Polyproline II helix | trans | -50.4 | 137.7 | 173.8 | -74.6 | 167.4 | 0 | 0 | 0 | 111.7 | L48 G186 Y187 F219 N220 K221 | L48-L184 HydrophobicContact CD1-CD1 4.28Å; L48-L184 HydrophobicContact CD2-CD1 3.46Å; L48-L184 VanDerWaalsContact CD2-CD1 3.46Å; L184-G186 PolarHBondContact O-N 2.82Å; L184-Y187 HydrophobicContact CB-CD2 3.75Å; L184-Y187 HydrophobicContact CB-CG 4.29Å; L184-Y187 PolarHBondContact O-N 2.94Å; L184-F219 WeakPolarHBondContact CG-O 3.47Å; L184-F219 PolarHBondContact N-O 3.24Å; L184-N220 WeakPolarHBondContact CG-O 3.03Å; L184-K221 HydrophobicContact CD2-CG 4.09Å; L184-K221 HydrophobicContact CG-CG 4.46Å |
| 185 | S | 96.2 | Very high | 95.9 | Very high | 105 Ų | 105 | 56.7 Ų | 56.7 | 73% | 0.734 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | 124.9 | -178.9 | -173.6 | 0 | 0 | 0 | 0 | 110.4 | I183 | I183-S185 PolarHBondContact O-N 2.82Š|
| 186 | G | 93.4 | Very high | 95 | Very high | 44 Ų | 44 | 57.7 Ų | 57.7 | 45% | 0.454 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 101.3 | -20.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | L184 H189 | L184-G186 PolarHBondContact O-N 2.82Å; G186-H189 PolarHBondContact O-CE1 3.12Å; G186-H189 VanDerWaalsContact O-CE1 3.27Å; G186-H189 PolarHBondContact O-ND1 2.92Å |
| 187 | Y | 95.9 | Very high | 94 | Very high | 43 Ų | 43 | 61.4 Ų | 61.4 | 17% | 0.169 | 33% | 0.327 | C | S | . | . | trans | -98.3 | 6.4 | -174.7 | -70.3 | -91.2 | 0 | 0 | 0 | 114 | L48 L184 H189 N190 F219 | L48-Y187 HydrophobicContact CD1-CE1 3.81Å; L48-Y187 HydrophobicContact CD1-CE2 3.88Å; L48-Y187 VanDerWaalsContact CD1-OH 3.29Å; L48-Y187 WeakPolarHBondContact CD1-OH 3.36Å; L184-Y187 HydrophobicContact CB-CD2 3.75Å; L184-Y187 HydrophobicContact CB-CG 4.29Å; L184-Y187 PolarHBondContact O-N 2.94Å; Y187-H189 PolarHBondContact O-N 2.7Å; Y187-N190 WeakPolarHBondContact O-CB 3.46Å; Y187-N190 PolarHBondContact O-N 3.07Å; Y187-F219 AromaticContact CD1-CD1 3.54Å; Y187-F219 HydrophobicContact CD1-CD1 3.54Å; Y187-F219 AromaticContact CD1-CE1 3.75Å; Y187-F219 HydrophobicContact CD1-CE1 3.75Å; Y187-F219 HydrophobicContact CD1-CG 4.39Å; Y187-F219 HydrophobicContact CE1-CD1 4.15Å; Y187-F219 HydrophobicContact CE1-CE1 4.09Å; Y187-F219 HydrophobicContact CG-CD1 4.04Å | ||
| 188 | Q | 96.6 | Very high | 93.1 | Very high | 66 Ų | 66 | 59.1 Ų | 59.1 | 31% | 0.308 | 32% | 0.315 | S | S | . | . | G | 310 helix | trans | -57.9 | -34.9 | 179.1 | -67.9 | 88.6 | -13.1 | 0 | 0 | 112.4 | W180 I183 N190 F191 | W180-Q188 HydrophobicContact CE3-CB 4.15Å; W180-Q188 HydrophobicContact CE3-CG 4.24Å; W180-Q188 HydrophobicContact CZ3-CB 4.02Å; W180-Q188 WeakPolarHBondContact CZ3-O 3.39Å; I183-Q188 HydrophobicContact CG2-CG 4.42Å; Q188-N190 PolarHBondContact O-N 3.49Å; Q188-N190 VanDerWaalsContact O-N 3.11Å; Q188-F191 PolarHBondContact O-N 2.87Å |
| 189 | H | 93.3 | Very high | 92.4 | Very high | 60 Ų | 60 | 59 Ų | 59 | 28% | 0.278 | 31% | 0.314 | S | S | . | . | G | 310 helix | trans | -60.7 | -22.2 | -178.8 | 68.9 | -91.3 | 0 | 0 | 0 | 113.8 | D53 G186 Y187 F191 D192 | D53-H189 IonicContact OD1-CE1 2.75Å; D53-H189 PolarHBondContact OD1-CE1 2.87Å; D53-H189 IonicContact OD1-NE2 2.96Å; G186-H189 PolarHBondContact O-CE1 3.12Å; G186-H189 VanDerWaalsContact O-CE1 3.27Å; G186-H189 PolarHBondContact O-ND1 2.92Å; Y187-H189 PolarHBondContact O-N 2.7Å; H189-F191 PolarHBondContact O-N 2.77Å; H189-D192 WeakPolarHBondContact CA-OD2 3.38Å; H189-D192 PolarHBondContact O-N 3.04Å |
| 190 | N | 96.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -67.9 | -17.7 | 175.2 | -69.5 | -21.3 | 0 | 0 | 0 | 113.1 | Q56 G57 Y187 Q188 Y214 F219 | Q56-N190 WeakPolarHBondContact CA-OD1 3.16Å; Q56-N190 PolarHBondContact N-OD1 3.34Å; G57-N190 PolarHBondContact N-OD1 2.84Å; Y187-N190 WeakPolarHBondContact O-CB 3.46Å; Y187-N190 PolarHBondContact O-N 3.07Å; Q188-N190 PolarHBondContact O-N 3.49Å; Q188-N190 VanDerWaalsContact O-N 3.11Å; N190-Y214 HydrophobicContact CB-CE2 4.4Å; N190-F219 HydrophobicContact CB-CD2 4.34Å; N190-F219 HydrophobicContact CB-CE2 4.15Å; N190-F219 WeakPolarHBondContact ND2-CZ 3.39Å |
| 191 | F | 97.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -104.8 | 10.9 | 178.4 | -61.5 | -97.7 | 0 | 0 | 0 | 112 | R172 I178 W180 I183 Q188 H189 Y214 S218 F219 T227 | R172-F191 PolarHBondContact NH1-O 3.04Å; R172-F191 PolarHBondContact NH2-O 2.98Å; I178-F191 HydrophobicContact CD1-CD1 4.02Å; I178-F191 HydrophobicContact CG2-CB 4.07Å; I178-F191 HydrophobicContact CG2-CD1 4.04Å; I178-F191 HydrophobicContact CG2-CG 4.19Å; W180-F191 HydrophobicContact CH2-CB 3.88Å; W180-F191 HydrophobicContact CZ3-CB 3.94Å; I183-F191 HydrophobicContact CD1-CB 4.27Å; I183-F191 HydrophobicContact CD1-CD1 4.38Å; I183-F191 HydrophobicContact CD1-CD2 3.51Å; I183-F191 HydrophobicContact CD1-CE2 3.84Å; I183-F191 HydrophobicContact CD1-CG 3.8Å; I183-F191 HydrophobicContact CD1-CZ 4.41Å; I183-F191 HydrophobicContact CG1-CD2 4.12Å; I183-F191 HydrophobicContact CG1-CE2 3.92Å; I183-F191 HydrophobicContact CG1-CZ 4.3Å; I183-F191 HydrophobicContact CG2-CD2 4.09Å; I183-F191 HydrophobicContact CG2-CE2 3.76Å; Q188-F191 PolarHBondContact O-N 2.87Å; H189-F191 PolarHBondContact O-N 2.77Å; F191-Y214 HydrophobicContact CE1-CD2 4.01Å; F191-Y214 HydrophobicContact CE1-CE2 4.4Å; F191-Y214 HydrophobicContact CZ-CD2 4.2Å; F191-Y214 HydrophobicContact CZ-CE2 4.33Å; F191-S218 WeakPolarHBondContact CZ-O 3.29Å; F191-F219 HydrophobicContact CE2-CB 4.09Å; F191-F219 AromaticContact CE2-CD2 3.93Å; F191-F219 HydrophobicContact CE2-CD2 3.93Å; F191-F219 HydrophobicContact CE2-CG 4.41Å; F191-F219 HydrophobicContact CZ-CB 4.4Å; F191-F219 HydrophobicContact CZ-CD2 4.12Å; F191-T227 HydrophobicContact CZ-CG2 4.47Å |
| 192 | D | 95.8 | Very high | 90.5 | Very high | 70 Ų | 70 | 46.9 Ų | 46.9 | 37% | 0.374 | 27% | 0.267 | S | S | . | . | trans | -68.1 | 146.3 | 175.4 | -70.2 | -21.7 | 0 | 0 | 0 | 111.1 | H189 Y194 | H189-D192 WeakPolarHBondContact CA-OD2 3.38Å; H189-D192 PolarHBondContact O-N 3.04Å; D192-Y194 HydrophobicContact CB-CE2 4.46Å; D192-Y194 WeakPolarHBondContact O-CE2 3.3Å | ||
| 193 | T | 94 | Very high | 90.2 | Very high | 58 Ų | 58 | 50.4 Ų | 50.4 | 36% | 0.356 | 29% | 0.289 | S | S | . | . | trans | -89 | 151.8 | 170.9 | 56.9 | 0 | 0 | 0 | 0 | 110.5 | S168 R172 | S168-T193 WeakPolarHBondContact O-CA 3.39Å; R172-T193 HydrophobicContact CG-CG2 3.53Å | ||
| 194 | Y | 89.8 | Confident | 90.1 | Very high | 19 Ų | 19 | 50.7 Ų | 50.7 | 8% | 0.075 | 29% | 0.29 | C | S | . | . | trans | -123.6 | 150.7 | 177.1 | -55.2 | -84.4 | 0 | 0 | 0 | 111.6 | F55 R65 S168 T170 D192 L198 I199 | F55-Y194 HydrophobicContact CE2-CE1 4.02Å; F55-Y194 AromaticContact CE2-CZ 3.65Å; F55-Y194 WeakPolarHBondContact CE2-OH 3.45Å; F55-Y194 AromaticContact CZ-CE1 3.71Å; F55-Y194 HydrophobicContact CZ-CE1 3.71Å; F55-Y194 AromaticContact CZ-CE2 3.9Å; F55-Y194 HydrophobicContact CZ-CE2 3.9Å; F55-Y194 AromaticContact CZ-CZ 3.31Å; F55-Y194 WeakPolarHBondContact CZ-OH 3.36Å; R65-Y194 VanDerWaalsContact NH1-CE1 3.3Å; S168-Y194 PolarHBondContact O-N 3.08Å; T170-Y194 WeakPolarHBondContact CB-O 3.34Å; T170-Y194 PolarHBondContact N-O 3.39Å; D192-Y194 HydrophobicContact CB-CE2 4.46Å; D192-Y194 WeakPolarHBondContact O-CE2 3.3Å; Y194-L198 HydrophobicContact CD1-CD2 3.66Å; Y194-L198 HydrophobicContact CE1-CD2 4.46Å; Y194-L198 HydrophobicContact CG-CD2 3.83Å; Y194-I199 HydrophobicContact CD2-CD1 3.61Å; Y194-I199 HydrophobicContact CG-CD1 4.07Å | ||
| 195 | D | 86.1 | Confident | 90.1 | Very high | 90 Ų | 90 | 52.2 Ų | 52.2 | 48% | 0.481 | 30% | 0.303 | S | S | . | . | trans | -70.7 | 166.1 | 179.6 | 65 | 47.8 | 0 | 0 | 0 | 112.8 | S197 L198 I199 | D195-S197 PolarHBondContact O-N 2.88Å; D195-S197 VanDerWaalsContact OD1-CA 3.26Å; D195-S197 WeakPolarHBondContact OD1-CA 3.32Å; D195-S197 WeakPolarHBondContact OD1-CB 3.33Å; D195-S197 PolarHBondContact OD1-N 2.9Å; D195-S197 PolarHBondContact OD1-OG 3.15Å; D195-L198 PolarHBondContact O-N 2.82Å; D195-L198 PolarHBondContact OD1-N 3.04Å; D195-I199 PolarHBondContact O-N 2.91Å | ||
| 196 | D | 79.3 | Confident | 90.2 | Very high | 95 Ų | 95 | 47.8 Ų | 47.8 | 51% | 0.508 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -9.4 | 178.8 | -63.6 | -19.6 | 0 | 0 | 0 | 114.3 | T170 I199 | T170-D196 WeakPolarHBondContact CG2-OD1 3.44Å; D196-I199 VanDerWaalsContact CA-O 3.31Å; D196-I199 WeakPolarHBondContact CA-O 3.28Å |
| 197 | S | 77.1 | Confident | 90.4 | Very high | 79 Ų | 79 | 46.1 Ų | 46.1 | 55% | 0.552 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -25.3 | 173.2 | 85.6 | 0 | 0 | 0 | 0 | 111.8 | D195 | D195-S197 PolarHBondContact O-N 2.88Å; D195-S197 VanDerWaalsContact OD1-CA 3.26Å; D195-S197 WeakPolarHBondContact OD1-CA 3.32Å; D195-S197 WeakPolarHBondContact OD1-CB 3.33Å; D195-S197 PolarHBondContact OD1-N 2.9Å; D195-S197 PolarHBondContact OD1-OG 3.15Å |
| 198 | L | 79.3 | Confident | 90.5 | Very high | 13 Ų | 13 | 45.2 Ų | 45.2 | 7% | 0.068 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | -50 | 177.6 | -179 | 58.1 | 0 | 0 | 0 | 113.2 | R65 Y164 Y194 D195 | R65-L198 HydrophobicContact CB-CD1 3.56Å; R65-L198 HydrophobicContact CB-CD2 4.03Å; R65-L198 HydrophobicContact CB-CG 4.47Å; R65-L198 HydrophobicContact CG-CD2 4.41Å; R65-L198 WeakPolarHBondContact O-CD1 3.13Å; Y164-L198 HydrophobicContact CE2-CD1 3.72Å; Y164-L198 HydrophobicContact CE2-CG 4.09Å; Y194-L198 HydrophobicContact CD1-CD2 3.66Å; Y194-L198 HydrophobicContact CE1-CD2 4.46Å; Y194-L198 HydrophobicContact CG-CD2 3.83Å; D195-L198 PolarHBondContact O-N 2.82Å; D195-L198 PolarHBondContact OD1-N 3.04Å |
| 199 | I | 82.9 | Confident | 90.5 | Very high | 14 Ų | 14 | 45 Ų | 45 | 7% | 0.072 | 25% | 0.247 | C | C | . | . | trans | -113.2 | 122.2 | -178.2 | -59 | -176 | 0 | 0 | 0 | 108 | Y164 R169 Y194 D195 D196 | Y164-I199 HydrophobicContact CD2-CD1 4.48Å; Y164-I199 HydrophobicContact CD2-CG1 3.91Å; Y164-I199 HydrophobicContact CG-CD1 4.14Å; Y164-I199 HydrophobicContact CG-CG1 4.07Å; R169-I199 HydrophobicContact CG-CG2 4.45Å; Y194-I199 HydrophobicContact CD2-CD1 3.61Å; Y194-I199 HydrophobicContact CG-CD1 4.07Å; D195-I199 PolarHBondContact O-N 2.91Å; D196-I199 VanDerWaalsContact CA-O 3.31Å; D196-I199 WeakPolarHBondContact CA-O 3.28Å | ||
| 200 | T | 82.7 | Confident | 90.7 | Very high | 26 Ų | 26 | 42.2 Ų | 42.2 | 16% | 0.16 | 23% | 0.233 | C | C | . | . | trans | -111.6 | 139.1 | 172.3 | 176.7 | 0 | 0 | 0 | 0 | 110.5 | L68 R69 L202 | L68-T200 HydrophobicContact CB-CG2 4.03Å; L68-T200 HydrophobicContact CD2-CG2 3.55Å; L68-T200 WeakPolarHBondContact CD2-O 3.48Å; L68-T200 HydrophobicContact CG-CG2 4.01Å; R69-T200 HydrophobicContact CB-CG2 4.42Å; T200-L202 HydrophobicContact CG2-CD2 3.78Å; T200-L202 HydrophobicContact CG2-CG 4.11Å; T200-L202 PolarHBondContact O-N 2.91Å; T200-L202 PolarHBondContact OG1-N 3.5Å | ||
| 201 | D | 82.8 | Confident | 90.8 | Very high | 53 Ų | 53 | 42.2 Ų | 42.2 | 28% | 0.283 | 23% | 0.233 | S | C | . | . | trans | -79.2 | -6.7 | 174.2 | 63.9 | 1 | 0 | 0 | 0 | 113 | R169 N203 T204 R252 | R169-D201 VanDerWaalsContact CZ-CB 3.47Å; R169-D201 IonicContact NH2-OD2 3.56Å; R169-D201 PolarHBondContact NH2-OD2 3.26Å; D201-N203 PolarHBondContact O-N 3.26Å; D201-N203 VanDerWaalsContact O-N 3.14Å; D201-N203 PolarHBondContact OD1-N 2.81Å; D201-T204 PolarHBondContact O-N 3.11Å; D201-T204 VanDerWaalsContact O-N 3.07Å; D201-T204 PolarHBondContact O-OG1 3.33Å; D201-T204 VanDerWaalsContact O-OG1 3.09Å; D201-R252 PolarHBondContact O-NE 2.85Å; D201-R252 VanDerWaalsContact O-NE 3.08Å | ||
| 202 | L | 88.9 | Confident | 90.8 | Very high | 40 Ų | 40 | 42.3 Ų | 42.3 | 21% | 0.209 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 47.4 | 36.5 | -171 | -62.4 | 174.7 | 0 | 0 | 0 | 112.5 | L68 T200 R252 R255 M256 | L68-L202 HydrophobicContact CD2-CD1 4.12Å; L68-L202 HydrophobicContact CD2-CG 4.11Å; T200-L202 HydrophobicContact CG2-CD2 3.78Å; T200-L202 HydrophobicContact CG2-CG 4.11Å; T200-L202 PolarHBondContact O-N 2.91Å; T200-L202 PolarHBondContact OG1-N 3.5Å; L202-R252 HydrophobicContact CB-CG 4.41Å; L202-R252 HydrophobicContact CD1-CB 4.17Å; L202-R252 WeakPolarHBondContact CD1-O 3.07Å; L202-R255 PolarHBondContact O-NH1 3.04Å; L202-M256 HydrophobicContact CD1-CB 3.94Å |
| 203 | N | 92.1 | Very high | 91 | Very high | 138 Ų | 138 | 39 Ų | 39 | 74% | 0.738 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.5 | 49.8 | -176.8 | -169.5 | 54.1 | 0 | 0 | 0 | 112.6 | D201 R255 | D201-N203 PolarHBondContact O-N 3.26Å; D201-N203 VanDerWaalsContact O-N 3.14Å; D201-N203 PolarHBondContact OD1-N 2.81Å; N203-R255 PolarHBondContact O-NH1 3.14Å |
| 204 | T | 95.3 | Very high | 91.2 | Very high | 5 Ų | 5 | 36.4 Ų | 36.4 | 3% | 0.031 | 20% | 0.2 | C | C | . | . | trans | -119.4 | 150.8 | 168 | 76.1 | 0 | 0 | 0 | 0 | 110.6 | R169 D201 I248 E251 R252 | R169-T204 PolarHBondContact NH1-O 3.18Å; R169-T204 PolarHBondContact NH2-O 3.4Å; D201-T204 PolarHBondContact O-N 3.11Å; D201-T204 VanDerWaalsContact O-N 3.07Å; D201-T204 PolarHBondContact O-OG1 3.33Å; D201-T204 VanDerWaalsContact O-OG1 3.09Å; T204-I248 HydrophobicContact CG2-CG2 4.22Å; T204-I248 VanDerWaalsContact OG1-CG2 3.31Å; T204-I248 WeakPolarHBondContact OG1-CG2 3.23Å; T204-E251 HydrophobicContact CG2-CG 4.18Å; T204-R252 HydrophobicContact CG2-CG 3.75Å; T204-R252 VanDerWaalsContact OG1-CZ 3.25Å; T204-R252 PolarHBondContact OG1-NE 2.84Å; T204-R252 PolarHBondContact OG1-NH2 3.19Å | ||
| 205 | P | 97.3 | Very high | 91.4 | Very high | 79 Ų | 79 | 38 Ų | 38 | 51% | 0.513 | 21% | 0.208 | S | C | . | . | trans | -61.7 | 163.8 | 175.1 | 26.8 | -34.4 | 0 | 0 | 0 | 111.7 | R169 D207 I248 R252 | R169-P205 PolarHBondContact NH1-O 2.97Å; P205-D207 PolarHBondContact O-N 3.03Å; P205-I248 HydrophobicContact CG-CD1 3.95Å; P205-R252 PolarHBondContact O-NH2 3.39Å | ||
| 206 | Y | 97.9 | Very high | 91.9 | Very high | 11 Ų | 11 | 34.7 Ų | 34.7 | 4% | 0.043 | 19% | 0.191 | C | C | . | . | trans | -60.9 | 131.6 | 170.3 | -169.4 | -83.9 | 0 | 0 | 0 | 110.3 | E166 Q167 R172 Y175 V176 Y208 H213 | E166-Y206 HydrophobicContact CG-CD2 4.47Å; E166-Y206 HydrophobicContact CG-CE1 4.27Å; E166-Y206 HydrophobicContact CG-CE2 4.1Å; E166-Y206 WeakPolarHBondContact O-CE2 3.46Å; Q167-Y206 WeakPolarHBondContact CA-OH 3.33Å; R172-Y206 HydrophobicContact CB-CD2 4.44Å; R172-Y206 HydrophobicContact CB-CE2 3.62Å; Y175-Y206 HydrophobicContact CD1-CD1 4.18Å; Y175-Y206 AromaticContact CD1-CG 3.99Å; Y175-Y206 HydrophobicContact CD1-CG 3.99Å; Y175-Y206 HydrophobicContact CD2-CD1 4.35Å; Y175-Y206 AromaticContact CD2-CD2 3.67Å; Y175-Y206 HydrophobicContact CD2-CD2 3.67Å; Y175-Y206 HydrophobicContact CD2-CE2 4.49Å; Y175-Y206 AromaticContact CD2-CG 3.58Å; Y175-Y206 HydrophobicContact CD2-CG 3.58Å; Y175-Y206 HydrophobicContact CE1-CG 4.46Å; Y175-Y206 HydrophobicContact CE2-CD2 4.27Å; Y175-Y206 HydrophobicContact CE2-CG 4.11Å; Y175-Y206 AromaticContact CG-CD1 3.83Å; Y175-Y206 HydrophobicContact CG-CD1 3.83Å; Y175-Y206 AromaticContact CG-CD2 3.99Å; Y175-Y206 HydrophobicContact CG-CD2 3.99Å; Y175-Y206 AromaticContact CG-CG 3.51Å; Y175-Y206 HydrophobicContact CG-CG 3.51Å; V176-Y206 HydrophobicContact CG1-CE1 4.29Å; Y206-Y208 HydrophobicContact CD1-CD1 4.16Å; Y206-Y208 HydrophobicContact CD1-CE1 4.11Å; Y206-Y208 HydrophobicContact CD1-CE2 4.5Å; Y206-Y208 HydrophobicContact CD1-CG 4.4Å; Y206-Y208 AromaticContact CE1-CD1 3.89Å; Y206-Y208 HydrophobicContact CE1-CD1 3.89Å; Y206-Y208 AromaticContact CE1-CE1 3.95Å; Y206-Y208 HydrophobicContact CE1-CE1 3.95Å; Y206-Y208 HydrophobicContact CE1-CG 4.47Å; Y206-H213 AromaticContact CE1-CD2 3.84Å; Y206-H213 AromaticContact CE1-NE2 3.63Å; Y206-H213 AromaticContact CZ-CD2 3.87Å; Y206-H213 AromaticContact CZ-NE2 3.58Å; Y206-H213 PolarHBondContact OH-CD2 3.39Å; Y206-H213 VanDerWaalsContact OH-CD2 3.3Å; Y206-H213 PolarHBondContact OH-NE2 2.93Å | ||
| 207 | D | 98 | Very high | 92.6 | Very high | 10 Ų | 10 | 34.6 Ų | 34.6 | 5% | 0.053 | 19% | 0.187 | C | C | . | . | trans | -112.2 | 99.9 | -172 | -178.1 | 18.5 | 0 | 0 | 0 | 112.8 | E166 P205 E209 S210 S246 I248 | E166-D207 WeakPolarHBondContact CG-O 3.2Å; E166-D207 PolarHBondContact OE1-N 2.93Å; P205-D207 PolarHBondContact O-N 3.03Å; D207-E209 PolarHBondContact O-N 3.26Å; D207-E209 WeakPolarHBondContact OD1-CA 3.44Å; D207-E209 WeakPolarHBondContact OD1-CB 3.27Å; D207-E209 PolarHBondContact OD1-N 2.74Å; D207-S210 VanDerWaalsContact CG-N 3.29Å; D207-S210 WeakPolarHBondContact O-CB 3.32Å; D207-S210 PolarHBondContact O-N 2.78Å; D207-S210 PolarHBondContact OD1-N 2.97Å; D207-S210 VanDerWaalsContact OD2-CA 3.25Å; D207-S210 WeakPolarHBondContact OD2-CA 3.5Å; D207-S210 WeakPolarHBondContact OD2-CB 3.48Å; D207-S210 PolarHBondContact OD2-N 3.45Å; D207-S210 VanDerWaalsContact OD2-N 3.16Å; D207-S246 WeakPolarHBondContact OD2-CB 3.37Å; D207-S246 PolarHBondContact OD2-OG 3.05Å; D207-I248 HydrophobicContact CB-CB 4.04Å; D207-I248 HydrophobicContact CB-CD1 3.85Å; D207-I248 HydrophobicContact CB-CG2 4.02Å | ||
| 208 | Y | 97.8 | Very high | 93.5 | Very high | 23 Ų | 23 | 30.9 Ų | 30.9 | 9% | 0.09 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -22.6 | 174.2 | -62 | -74.8 | 0 | 0 | 0 | 113.3 | Y175 V176 Y206 A230 F235 I239 | Y175-Y208 WeakPolarHBondContact CA-OH 2.99Å; Y175-Y208 WeakPolarHBondContact CB-OH 3.31Å; Y175-Y208 HydrophobicContact CD1-CE2 4.35Å; Y175-Y208 PolarHBondContact O-OH 2.66Å; V176-Y208 HydrophobicContact CG1-CE1 4.06Å; Y206-Y208 HydrophobicContact CD1-CD1 4.16Å; Y206-Y208 HydrophobicContact CD1-CE1 4.11Å; Y206-Y208 HydrophobicContact CD1-CE2 4.5Å; Y206-Y208 HydrophobicContact CD1-CG 4.4Å; Y206-Y208 AromaticContact CE1-CD1 3.89Å; Y206-Y208 HydrophobicContact CE1-CD1 3.89Å; Y206-Y208 AromaticContact CE1-CE1 3.95Å; Y206-Y208 HydrophobicContact CE1-CE1 3.95Å; Y206-Y208 HydrophobicContact CE1-CG 4.47Å; Y208-A230 HydrophobicContact CD1-CB 4.38Å; Y208-A230 HydrophobicContact CE1-CB 3.91Å; Y208-F235 HydrophobicContact CD1-CB 3.85Å; Y208-F235 HydrophobicContact CD1-CG 4.24Å; Y208-F235 HydrophobicContact CD2-CB 4.18Å; Y208-F235 AromaticContact CD2-CD1 3.68Å; Y208-F235 HydrophobicContact CD2-CD1 3.68Å; Y208-F235 AromaticContact CD2-CD2 3.86Å; Y208-F235 HydrophobicContact CD2-CD2 3.86Å; Y208-F235 HydrophobicContact CD2-CE1 4.01Å; Y208-F235 HydrophobicContact CD2-CE2 4.14Å; Y208-F235 AromaticContact CD2-CG 3.65Å; Y208-F235 HydrophobicContact CD2-CG 3.65Å; Y208-F235 HydrophobicContact CD2-CZ 4.23Å; Y208-F235 HydrophobicContact CE1-CB 4.21Å; Y208-F235 HydrophobicContact CE1-CG 4.49Å; Y208-F235 HydrophobicContact CE2-CD1 4.34Å; Y208-F235 AromaticContact CE2-CD2 3.67Å; Y208-F235 HydrophobicContact CE2-CD2 3.67Å; Y208-F235 AromaticContact CE2-CE2 3.88Å; Y208-F235 HydrophobicContact CE2-CE2 3.88Å; Y208-F235 AromaticContact CE2-CG 3.94Å; Y208-F235 HydrophobicContact CE2-CG 3.94Å; Y208-F235 HydrophobicContact CE2-CZ 4.34Å; Y208-F235 HydrophobicContact CG-CB 3.82Å; Y208-F235 AromaticContact CG-CD1 3.91Å; Y208-F235 HydrophobicContact CG-CD1 3.91Å; Y208-F235 HydrophobicContact CG-CD2 4.36Å; Y208-F235 AromaticContact CG-CG 3.79Å; Y208-F235 HydrophobicContact CG-CG 3.79Å; Y208-I239 HydrophobicContact CD1-CG2 3.68Å; Y208-I239 HydrophobicContact CG-CG2 4.34Å; Y208-I239 VanDerWaalsContact O-CA 3.32Å; Y208-I239 WeakPolarHBondContact O-CA 3.33Å |
| 209 | E | 96.4 | Very high | 94.3 | Very high | 63 Ų | 63 | 30.6 Ų | 30.6 | 29% | 0.294 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | -1 | 178.2 | -73.5 | -169.8 | 165.4 | 0 | 0 | 112.9 | D207 L211 I238 Q241 R579 | D207-E209 PolarHBondContact O-N 3.26Å; D207-E209 WeakPolarHBondContact OD1-CA 3.44Å; D207-E209 WeakPolarHBondContact OD1-CB 3.27Å; D207-E209 PolarHBondContact OD1-N 2.74Å; E209-L211 PolarHBondContact O-N 3.45Å; E209-I238 HydrophobicContact CB-CG2 4.31Å; E209-I238 HydrophobicContact CG-CG2 3.31Å; E209-Q241 VanDerWaalsContact O-CG 3.25Å; E209-Q241 WeakPolarHBondContact O-CG 3.29Å; E209-Q241 PolarHBondContact O-NE2 2.65Å; E209-R579 IonicContact OE1-NH1 3.89Å; E209-R579 PolarHBondContact OE1-NH1 2.85Å; E209-R579 IonicContact OE2-NH1 2.74Å; E209-R579 PolarHBondContact OE2-NH1 3.13Å |
| 210 | S | 98.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.164 | C | C | . | . | trans | -57.5 | 132.9 | -175.8 | 177.7 | 0 | 0 | 0 | 0 | 111 | D207 M212 H213 D249 | D207-S210 VanDerWaalsContact CG-N 3.29Å; D207-S210 WeakPolarHBondContact O-CB 3.32Å; D207-S210 PolarHBondContact O-N 2.78Å; D207-S210 PolarHBondContact OD1-N 2.97Å; D207-S210 VanDerWaalsContact OD2-CA 3.25Å; D207-S210 WeakPolarHBondContact OD2-CA 3.5Å; D207-S210 WeakPolarHBondContact OD2-CB 3.48Å; D207-S210 PolarHBondContact OD2-N 3.45Å; D207-S210 VanDerWaalsContact OD2-N 3.16Å; S210-M212 PolarHBondContact O-N 3.06Å; S210-M212 WeakPolarHBondContact OG-CB 3.12Å; S210-M212 PolarHBondContact OG-N 2.95Å; S210-H213 VanDerWaalsContact O-CB 3.32Å; S210-H213 WeakPolarHBondContact O-CB 3.36Å; S210-H213 PolarHBondContact O-N 2.66Å; S210-D249 WeakPolarHBondContact CA-OD2 3.44Å; S210-D249 WeakPolarHBondContact CB-OD1 3.49Å; S210-D249 PolarHBondContact OG-OD1 2.6Å | ||
| 211 | L | 97.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -23.2 | 171.1 | -177 | 66.4 | 0 | 0 | 0 | 111.3 | A151 E154 H155 L158 E209 H213 R242 F245 D249 | A151-L211 HydrophobicContact CB-CD1 3.86Å; E154-L211 HydrophobicContact CB-CD2 3.6Å; H155-L211 HydrophobicContact CB-CD2 4.28Å; H155-L211 HydrophobicContact CB-CG 4.18Å; H155-L211 PolarHBondContact ND1-O 3.42Å; L158-L211 HydrophobicContact CD1-CD2 4.26Å; E209-L211 PolarHBondContact O-N 3.45Å; L211-H213 VanDerWaalsContact C-N 3.31Å; L211-R242 PolarHBondContact O-NH1 3.01Å; L211-F245 HydrophobicContact CD2-CD1 3.94Å; L211-F245 HydrophobicContact CD2-CE1 4.03Å; L211-D249 WeakPolarHBondContact CB-OD2 3.34Å; L211-D249 PolarHBondContact N-OD2 2.95Å |
| 212 | M | 98.1 | Very high | 95.9 | Very high | 2 Ų | 2 | 36.4 Ų | 36.4 | 1% | 0.01 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | 9.2 | 176.5 | -51.6 | -51.7 | -64.8 | 0 | 0 | 113.2 | H155 L158 H159 F163 H165 E166 S210 | H155-M212 HydrophobicContact CB-SD 4.38Å; H155-M212 PolarHBondContact ND1-SD 3.39Å; L158-M212 HydrophobicContact CB-CE 4.18Å; L158-M212 HydrophobicContact CB-CG 4.49Å; L158-M212 HydrophobicContact CB-SD 3.55Å; L158-M212 VanDerWaalsContact CB-SD 3.55Å; L158-M212 HydrophobicContact CD1-CG 3.87Å; L158-M212 HydrophobicContact CD1-SD 3.49Å; L158-M212 WeakPolarHBondContact CD1-SD 3.43Å; L158-M212 HydrophobicContact CG-SD 4.19Å; H159-M212 WeakPolarHBondContact CE1-CE 3.32Å; H159-M212 WeakPolarHBondContact ND1-CE 3.31Å; H159-M212 WeakPolarHBondContact NE2-CE 3.45Å; F163-M212 HydrophobicContact CB-CE 4.36Å; F163-M212 HydrophobicContact CB-CG 4.45Å; H165-M212 CarbonylContact C-O 3.56Å; H165-M212 WeakPolarHBondContact CA-O 3.39Å; H165-M212 WeakPolarHBondContact CB-O 3.33Å; H165-M212 PolarHBondContact CD2-O 2.89Å; H165-M212 VanDerWaalsContact CD2-O 3.26Å; E166-M212 PolarHBondContact N-O 2.67Å; S210-M212 PolarHBondContact O-N 3.06Å; S210-M212 WeakPolarHBondContact OG-CB 3.12Å; S210-M212 PolarHBondContact OG-N 2.95Å |
| 213 | H | 98.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -92 | 140 | 176 | -158.9 | -62.6 | 0 | 0 | 0 | 111.3 | E166 Y206 S210 L211 G240 R242 | E166-H213 HydrophobicContact CB-CB 4.08Å; Y206-H213 AromaticContact CE1-CD2 3.84Å; Y206-H213 AromaticContact CE1-NE2 3.63Å; Y206-H213 AromaticContact CZ-CD2 3.87Å; Y206-H213 AromaticContact CZ-NE2 3.58Å; Y206-H213 PolarHBondContact OH-CD2 3.39Å; Y206-H213 VanDerWaalsContact OH-CD2 3.3Å; Y206-H213 PolarHBondContact OH-NE2 2.93Å; S210-H213 VanDerWaalsContact O-CB 3.32Å; S210-H213 WeakPolarHBondContact O-CB 3.36Å; S210-H213 PolarHBondContact O-N 2.66Å; L211-H213 VanDerWaalsContact C-N 3.31Å; H213-G240 WeakPolarHBondContact O-CA 3.43Å; H213-R242 PolarHBondContact O-NH1 2.89Å; H213-R242 PolarHBondContact O-NH2 3.35Å |
| 214 | Y | 98.1 | Very high | 95.8 | Very high | 4 Ų | 4 | 36.6 Ų | 36.6 | 2% | 0.016 | 21% | 0.205 | C | C | . | . | P | Polyproline II helix | trans | -64.7 | 153.3 | 169.6 | -81.4 | 4.4 | 0 | 0 | 0 | 113.4 | Q56 H165 Q167 N190 F191 F219 G240 | Q56-Y214 WeakPolarHBondContact CA-OH 3.45Å; Q56-Y214 PolarHBondContact O-OH 3.23Å; H165-Y214 AromaticContact CD2-CD1 3.97Å; H165-Y214 AromaticContact CD2-CE1 3.67Å; H165-Y214 AromaticContact CE1-CE1 3.68Å; H165-Y214 AromaticContact CG-CE1 3.98Å; H165-Y214 AromaticContact NE2-CE1 3.44Å; H165-Y214 WeakPolarHBondContact NE2-CE1 3.37Å; Q167-Y214 VanDerWaalsContact CD-CG 3.41Å; Q167-Y214 HydrophobicContact CG-CD2 4.08Å; Q167-Y214 HydrophobicContact CG-CG 4.16Å; Q167-Y214 VanDerWaalsContact NE2-CE1 3.27Å; Q167-Y214 VanDerWaalsContact NE2-CE2 3.31Å; Q167-Y214 VanDerWaalsContact NE2-CZ 3.32Å; N190-Y214 HydrophobicContact CB-CE2 4.4Å; F191-Y214 HydrophobicContact CE1-CD2 4.01Å; F191-Y214 HydrophobicContact CE1-CE2 4.4Å; F191-Y214 HydrophobicContact CZ-CD2 4.2Å; F191-Y214 HydrophobicContact CZ-CE2 4.33Å; Y214-F219 HydrophobicContact CE2-CD2 4.1Å; Y214-F219 AromaticContact CE2-CE2 3.78Å; Y214-F219 HydrophobicContact CE2-CE2 3.78Å; Y214-F219 AromaticContact CZ-CE2 3.84Å; Y214-G240 PolarHBondContact O-N 3.07Å |
| 215 | Q | 95 | Very high | 95.8 | Very high | 54 Ų | 54 | 38.6 Ų | 38.6 | 25% | 0.252 | 22% | 0.217 | S | C | . | . | P | Polyproline II helix | trans | -75.2 | 159.6 | 168.6 | -75.9 | -171.5 | -2.3 | 0 | 0 | 111.8 | F217 S218 I228 G240 | Q215-F217 PolarHBondContact O-N 2.66Å; Q215-F217 VanDerWaalsContact O-N 3.09Å; Q215-S218 PolarHBondContact N-OG 2.93Å; Q215-S218 PolarHBondContact O-N 2.91Å; Q215-S218 PolarHBondContact O-OG 3.23Å; Q215-I228 WeakPolarHBondContact O-CG2 3.34Å; Q215-G240 VanDerWaalsContact CG-O 3.26Å; Q215-G240 WeakPolarHBondContact CG-O 3.29Å; Q215-G240 PolarHBondContact NE2-O 2.89Å |
| 216 | P | 95.6 | Very high | 95.8 | Very high | 19 Ų | 19 | 36.3 Ų | 36.3 | 12% | 0.123 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54 | -31.4 | 178.6 | -26.4 | 34.3 | 0 | 0 | 0 | 114.6 | P226 T227 I228 N236 I239 | P216-P226 HydrophobicContact CB-CB 3.94Å; P216-P226 CarbonylContact O-C 3.41Å; P216-P226 WeakPolarHBondContact O-CA 3.42Å; P216-P226 WeakPolarHBondContact O-CB 3.32Å; P216-T227 PolarHBondContact O-N 3.37Å; P216-T227 PolarHBondContact O-OG1 2.83Å; P216-I228 WeakPolarHBondContact CA-O 3.23Å; P216-I228 PolarHBondContact O-N 2.78Å; P216-N236 VanDerWaalsContact CG-O 3.25Å; P216-N236 WeakPolarHBondContact CG-O 2.88Å; P216-I239 HydrophobicContact CG-CD1 3.94Å; P216-I239 HydrophobicContact CG-CG1 3.86Å |
| 217 | F | 95.2 | Very high | 95.8 | Very high | 93 Ų | 93 | 35.8 Ų | 35.8 | 41% | 0.408 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | 5.7 | -171.2 | -59.9 | -76.6 | 0 | 0 | 0 | 114.2 | Q215 F219 N220 P226 | Q215-F217 PolarHBondContact O-N 2.66Å; Q215-F217 VanDerWaalsContact O-N 3.09Å; F217-F219 PolarHBondContact O-N 2.89Å; F217-N220 WeakPolarHBondContact O-CB 3.38Å; F217-N220 PolarHBondContact O-N 2.82Å; F217-N220 PolarHBondContact O-OD1 3.2Å; F217-P226 HydrophobicContact CD1-CB 4.27Å; F217-P226 HydrophobicContact CE1-CB 4.16Å |
| 218 | S | 95.6 | Very high | 95.8 | Very high | 2 Ų | 2 | 35.3 Ų | 35.3 | 1% | 0.014 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | 128.1 | -179.6 | -60.9 | 0 | 0 | 0 | 0 | 111 | S44 F191 Q215 N220 T227 | S44-S218 PolarHBondContact OG-OG 3.28Å; F191-S218 WeakPolarHBondContact CZ-O 3.29Å; Q215-S218 PolarHBondContact N-OG 2.93Å; Q215-S218 PolarHBondContact O-N 2.91Å; Q215-S218 PolarHBondContact O-OG 3.23Å; S218-N220 VanDerWaalsContact C-N 3.28Å; S218-N220 PolarHBondContact O-N 2.79Å; S218-T227 WeakPolarHBondContact O-CB 3.35Å; S218-T227 WeakPolarHBondContact O-CG2 3.08Å; S218-T227 PolarHBondContact O-OG1 3.39Å |
| 219 | F | 96.1 | Very high | 95.8 | Very high | 7 Ų | 7 | 35.2 Ų | 35.2 | 3% | 0.031 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.3 | 31 | -179.9 | -51.1 | -76.2 | 0 | 0 | 0 | 115.9 | I183 L184 Y187 N190 F191 Y214 F217 | I183-F219 HydrophobicContact CG2-CB 4.4Å; L184-F219 WeakPolarHBondContact CG-O 3.47Å; L184-F219 PolarHBondContact N-O 3.24Å; Y187-F219 AromaticContact CD1-CD1 3.54Å; Y187-F219 HydrophobicContact CD1-CD1 3.54Å; Y187-F219 AromaticContact CD1-CE1 3.75Å; Y187-F219 HydrophobicContact CD1-CE1 3.75Å; Y187-F219 HydrophobicContact CD1-CG 4.39Å; Y187-F219 HydrophobicContact CE1-CD1 4.15Å; Y187-F219 HydrophobicContact CE1-CE1 4.09Å; Y187-F219 HydrophobicContact CG-CD1 4.04Å; N190-F219 HydrophobicContact CB-CD2 4.34Å; N190-F219 HydrophobicContact CB-CE2 4.15Å; N190-F219 WeakPolarHBondContact ND2-CZ 3.39Å; F191-F219 HydrophobicContact CE2-CB 4.09Å; F191-F219 AromaticContact CE2-CD2 3.93Å; F191-F219 HydrophobicContact CE2-CD2 3.93Å; F191-F219 HydrophobicContact CE2-CG 4.41Å; F191-F219 HydrophobicContact CZ-CB 4.4Å; F191-F219 HydrophobicContact CZ-CD2 4.12Å; Y214-F219 HydrophobicContact CE2-CD2 4.1Å; Y214-F219 AromaticContact CE2-CE2 3.78Å; Y214-F219 HydrophobicContact CE2-CE2 3.78Å; Y214-F219 AromaticContact CZ-CE2 3.84Å; F217-F219 PolarHBondContact O-N 2.89Å |
| 220 | N | 95.3 | Very high | 95.9 | Very high | 32 Ų | 32 | 32.4 Ų | 32.4 | 17% | 0.171 | 19% | 0.187 | C | C | . | . | B | Isolated β-bridge | trans | -74.7 | 144.5 | 178.7 | 66.7 | -10.3 | 0 | 0 | 0 | 113.7 | E182 L184 F217 S218 N222 A223 V225 T227 | E182-N220 CarbonylContact O-C 3.54Å; E182-N220 WeakPolarHBondContact O-CA 3.37Å; L184-N220 WeakPolarHBondContact CG-O 3.03Å; F217-N220 WeakPolarHBondContact O-CB 3.38Å; F217-N220 PolarHBondContact O-N 2.82Å; F217-N220 PolarHBondContact O-OD1 3.2Å; S218-N220 VanDerWaalsContact C-N 3.28Å; S218-N220 PolarHBondContact O-N 2.79Å; N220-N222 PolarHBondContact ND2-O 3.47Å; N220-A223 VanDerWaalsContact ND2-CA 3.32Å; N220-A223 WeakPolarHBondContact ND2-CA 3.36Å; N220-V225 WeakPolarHBondContact CB-O 3.39Å; N220-V225 PolarHBondContact ND2-O 3.03Å; N220-V225 VanDerWaalsContact ND2-O 3.17Å; N220-T227 HydrophobicContact CB-CG2 3.77Å |
| 221 | K | 94.3 | Very high | 95.9 | Very high | 103 Ų | 103 | 37 Ų | 37 | 45% | 0.448 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -71.3 | -38.6 | 170.7 | -74.5 | 167.7 | 168.6 | 133.9 | 0 | 111.8 | D181 E182 I183 L184 | D181-K221 WeakPolarHBondContact O-CD 3.47Å; D181-K221 PolarHBondContact O-NZ 2.8Å; E182-K221 WeakPolarHBondContact O-CG 3.4Å; E182-K221 PolarHBondContact O-N 2.99Å; I183-K221 WeakPolarHBondContact O-CD 3.36Å; I183-K221 WeakPolarHBondContact O-CE 3.45Å; I183-K221 PolarHBondContact O-NZ 2.88Å; L184-K221 HydrophobicContact CD2-CG 4.09Å; L184-K221 HydrophobicContact CG-CG 4.46Å |
| 222 | N | 92.1 | Very high | 95.9 | Very high | 79 Ų | 79 | 41 Ų | 41 | 42% | 0.422 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -118.6 | 118.1 | -177.8 | -179.8 | -17.4 | 0 | 0 | 0 | 108.9 | N220 S224 V225 | N220-N222 PolarHBondContact ND2-O 3.47Å; N222-S224 PolarHBondContact O-N 3.47Å; N222-S224 PolarHBondContact OD1-N 2.96Å; N222-S224 VanDerWaalsContact OD1-N 3.09Å; N222-V225 HydrophobicContact CB-CB 4.23Å; N222-V225 HydrophobicContact CB-CG2 4.03Å; N222-V225 PolarHBondContact O-N 3.21Å |
| 223 | A | 88.1 | Confident | 95.7 | Very high | 81 Ų | 81 | 45 Ų | 45 | 67% | 0.669 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.3 | -22.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | N220 | N220-A223 VanDerWaalsContact ND2-CA 3.32Å; N220-A223 WeakPolarHBondContact ND2-CA 3.36Å |
| 224 | S | 91.6 | Very high | 95.3 | Very high | 101 Ų | 101 | 51.1 Ų | 51.1 | 71% | 0.706 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100 | -1.1 | 179.9 | -54.6 | 0 | 0 | 0 | 0 | 114.7 | N222 | N222-S224 PolarHBondContact O-N 3.47Å; N222-S224 PolarHBondContact OD1-N 2.96Å; N222-S224 VanDerWaalsContact OD1-N 3.09Å |
| 225 | V | 95.2 | Very high | 95.1 | Very high | 47 Ų | 47 | 54 Ų | 54 | 29% | 0.285 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -116.7 | 126.4 | -178.3 | -173.4 | 0 | 0 | 0 | 0 | 109.2 | E182 N220 N222 | E182-V225 HydrophobicContact CB-CG1 4.29Å; E182-V225 HydrophobicContact CG-CG1 3.69Å; N220-V225 WeakPolarHBondContact CB-O 3.39Å; N220-V225 PolarHBondContact ND2-O 3.03Å; N220-V225 VanDerWaalsContact ND2-O 3.17Å; N222-V225 HydrophobicContact CB-CB 4.23Å; N222-V225 HydrophobicContact CB-CG2 4.03Å; N222-V225 PolarHBondContact O-N 3.21Å |
| 226 | P | 97 | Very high | 95 | Very high | 32 Ų | 32 | 53.7 Ų | 53.7 | 21% | 0.208 | 30% | 0.295 | C | S | . | . | trans | -75.8 | 147 | 179.2 | 31.4 | -35 | 0 | 0 | 0 | 111.6 | P216 F217 T229 | P216-P226 HydrophobicContact CB-CB 3.94Å; P216-P226 CarbonylContact O-C 3.41Å; P216-P226 WeakPolarHBondContact O-CA 3.42Å; P216-P226 WeakPolarHBondContact O-CB 3.32Å; F217-P226 HydrophobicContact CD1-CB 4.27Å; F217-P226 HydrophobicContact CE1-CB 4.16Å; P226-T229 HydrophobicContact CB-CG2 4.04Å; P226-T229 HydrophobicContact CG-CG2 3.57Å | ||
| 227 | T | 98.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -86.7 | -24.7 | 169.8 | 48 | 0 | 0 | 0 | 0 | 112.1 | W179 E182 I183 F191 P216 S218 N220 | W179-T227 PolarHBondContact N-O 2.87Å; E182-T227 HydrophobicContact CB-CG2 4.49Å; I183-T227 HydrophobicContact CB-CG2 4.34Å; I183-T227 HydrophobicContact CG1-CG2 3.76Å; F191-T227 HydrophobicContact CZ-CG2 4.47Å; P216-T227 PolarHBondContact O-N 3.37Å; P216-T227 PolarHBondContact O-OG1 2.83Å; S218-T227 WeakPolarHBondContact O-CB 3.35Å; S218-T227 WeakPolarHBondContact O-CG2 3.08Å; S218-T227 PolarHBondContact O-OG1 3.39Å; N220-T227 HydrophobicContact CB-CG2 3.77Å |
| 228 | I | 98.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 133.6 | 178.4 | -177 | 167.1 | 0 | 0 | 0 | 110.1 | Q167 V176 N177 I178 Q215 P216 I239 | Q167-I228 HydrophobicContact CB-CD1 3.75Å; Q167-I228 HydrophobicContact CG-CD1 4.24Å; V176-I228 HydrophobicContact CB-CD1 4.11Å; V176-I228 HydrophobicContact CB-CG1 4.01Å; V176-I228 HydrophobicContact CG1-CD1 4.22Å; V176-I228 HydrophobicContact CG1-CG1 4.32Å; V176-I228 HydrophobicContact CG2-CD1 3.95Å; V176-I228 HydrophobicContact CG2-CG1 4.27Å; N177-I228 WeakPolarHBondContact O-CA 3.5Å; I178-I228 HydrophobicContact CD1-CB 4.08Å; I178-I228 HydrophobicContact CD1-CD1 3.72Å; I178-I228 HydrophobicContact CD1-CG1 3.77Å; Q215-I228 WeakPolarHBondContact O-CG2 3.34Å; P216-I228 WeakPolarHBondContact CA-O 3.23Å; P216-I228 PolarHBondContact O-N 2.78Å; I228-I239 HydrophobicContact CG1-CD1 4.36Å; I228-I239 HydrophobicContact CG2-CD1 4.15Å |
| 229 | T | 98.1 | Very high | 94.5 | Very high | 20 Ų | 20 | 51.9 Ų | 51.9 | 12% | 0.123 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 141 | 173.6 | 54 | 0 | 0 | 0 | 0 | 109.8 | V176 N177 W179 P226 N236 | V176-T229 CarbonylContact C-O 3.59Å; V176-T229 VanDerWaalsContact CA-O 3.3Å; V176-T229 WeakPolarHBondContact CA-O 3.39Å; V176-T229 WeakPolarHBondContact CB-O 3.44Å; N177-T229 PolarHBondContact N-O 2.88Å; N177-T229 PolarHBondContact O-N 2.79Å; W179-T229 PolarHBondContact NE1-OG1 2.88Å; P226-T229 HydrophobicContact CB-CG2 4.04Å; P226-T229 HydrophobicContact CG-CG2 3.57Å; T229-N236 WeakPolarHBondContact CA-OD1 3.38Å; T229-N236 WeakPolarHBondContact CB-OD1 3.45Å |
| 230 | A | 98 | Very high | 94.5 | Very high | 5 Ų | 5 | 51.7 Ų | 51.7 | 4% | 0.041 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 141.4 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y208 I232 F235 N236 | Y208-A230 HydrophobicContact CD1-CB 4.38Å; Y208-A230 HydrophobicContact CE1-CB 3.91Å; A230-I232 VanDerWaalsContact CB-O 3.3Å; A230-I232 WeakPolarHBondContact CB-O 3.27Å; A230-I232 PolarHBondContact O-N 2.95Å; A230-F235 HydrophobicContact CB-CB 3.7Å; A230-N236 PolarHBondContact N-OD1 2.59Å |
| 231 | K | 98.3 | Very high | 94.4 | Very high | 97 Ų | 97 | 50.8 Ų | 50.8 | 42% | 0.422 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -65.2 | -29.1 | 173.8 | -78.4 | -179.9 | 167.5 | -174.4 | 0 | 112.4 | D173 D174 Y175 N177 | D173-K231 WeakPolarHBondContact O-CE 3.41Å; D173-K231 PolarHBondContact O-NZ 2.92Å; D174-K231 WeakPolarHBondContact O-CD 3.26Å; Y175-K231 PolarHBondContact O-N 2.57Å; N177-K231 VanDerWaalsContact OD1-CE 3.23Å; N177-K231 WeakPolarHBondContact OD1-CE 3.23Å |
| 232 | I | 97.3 | Very high | 94.4 | Very high | 83 Ų | 83 | 47.6 Ų | 47.6 | 43% | 0.426 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -97.1 | 107.5 | 169.9 | -64.3 | 167.3 | 0 | 0 | 0 | 106.8 | A230 E234 F235 | A230-I232 VanDerWaalsContact CB-O 3.3Å; A230-I232 WeakPolarHBondContact CB-O 3.27Å; A230-I232 PolarHBondContact O-N 2.95Å; I232-E234 HydrophobicContact CG2-CB 4.48Å; I232-E234 WeakPolarHBondContact CG2-OE2 3.48Å; I232-E234 PolarHBondContact O-N 2.88Å; I232-F235 HydrophobicContact CB-CD2 3.68Å; I232-F235 HydrophobicContact CB-CE2 3.92Å; I232-F235 HydrophobicContact CD1-CD2 4.5Å; I232-F235 HydrophobicContact CD1-CE2 4.02Å; I232-F235 HydrophobicContact CG2-CD2 3.61Å; I232-F235 HydrophobicContact CG2-CE2 3.59Å; I232-F235 PolarHBondContact O-N 3.32Å; I232-F235 VanDerWaalsContact O-N 3.12Å |
| 233 | P | 93.5 | Very high | 94.5 | Very high | 87 Ų | 87 | 44.7 Ų | 44.7 | 57% | 0.565 | 26% | 0.256 | S | S | * | . | G | 310 helix | trans | -57.7 | -26.5 | -166.6 | -28.6 | 36.4 | 0 | 0 | 0 | 115.7 | F235 N236 | P233-F235 PolarHBondContact O-N 3.42Å; P233-N236 WeakPolarHBondContact CA-ND2 3.3Å; P233-N236 WeakPolarHBondContact O-CB 3.42Å; P233-N236 PolarHBondContact O-N 3.39Å; P233-N236 VanDerWaalsContact O-N 3.14Å; P233-N236 PolarHBondContact O-ND2 3.05Å; P233-N236 VanDerWaalsContact O-ND2 3.11Å |
| 234 | E | 90.3 | Very high | 94.9 | Very high | 127 Ų | 127 | 41 Ų | 41 | 59% | 0.593 | 23% | 0.226 | S | C | * | . | G | 310 helix | trans | -61 | -27.6 | 180 | -64.8 | 77.5 | -173.2 | 0 | 0 | 112.7 | I232 R578 | I232-E234 HydrophobicContact CG2-CB 4.48Å; I232-E234 WeakPolarHBondContact CG2-OE2 3.48Å; I232-E234 PolarHBondContact O-N 2.88Å; E234-R578 PolarHBondContact O-NH2 2.82Å |
| 235 | F | 94.1 | Very high | 95.2 | Very high | 65 Ų | 65 | 36.3 Ų | 36.3 | 29% | 0.285 | 19% | 0.192 | S | C | . | . | G | 310 helix | trans | -84.9 | -5.7 | 178.6 | -60.6 | -72.3 | 0 | 0 | 0 | 114.2 | Y208 A230 I232 P233 S237 I238 I239 | Y208-F235 HydrophobicContact CD1-CB 3.85Å; Y208-F235 HydrophobicContact CD1-CG 4.24Å; Y208-F235 HydrophobicContact CD2-CB 4.18Å; Y208-F235 AromaticContact CD2-CD1 3.68Å; Y208-F235 HydrophobicContact CD2-CD1 3.68Å; Y208-F235 AromaticContact CD2-CD2 3.86Å; Y208-F235 HydrophobicContact CD2-CD2 3.86Å; Y208-F235 HydrophobicContact CD2-CE1 4.01Å; Y208-F235 HydrophobicContact CD2-CE2 4.14Å; Y208-F235 AromaticContact CD2-CG 3.65Å; Y208-F235 HydrophobicContact CD2-CG 3.65Å; Y208-F235 HydrophobicContact CD2-CZ 4.23Å; Y208-F235 HydrophobicContact CE1-CB 4.21Å; Y208-F235 HydrophobicContact CE1-CG 4.49Å; Y208-F235 HydrophobicContact CE2-CD1 4.34Å; Y208-F235 AromaticContact CE2-CD2 3.67Å; Y208-F235 HydrophobicContact CE2-CD2 3.67Å; Y208-F235 AromaticContact CE2-CE2 3.88Å; Y208-F235 HydrophobicContact CE2-CE2 3.88Å; Y208-F235 AromaticContact CE2-CG 3.94Å; Y208-F235 HydrophobicContact CE2-CG 3.94Å; Y208-F235 HydrophobicContact CE2-CZ 4.34Å; Y208-F235 HydrophobicContact CG-CB 3.82Å; Y208-F235 AromaticContact CG-CD1 3.91Å; Y208-F235 HydrophobicContact CG-CD1 3.91Å; Y208-F235 HydrophobicContact CG-CD2 4.36Å; Y208-F235 AromaticContact CG-CG 3.79Å; Y208-F235 HydrophobicContact CG-CG 3.79Å; A230-F235 HydrophobicContact CB-CB 3.7Å; I232-F235 HydrophobicContact CB-CD2 3.68Å; I232-F235 HydrophobicContact CB-CE2 3.92Å; I232-F235 HydrophobicContact CD1-CD2 4.5Å; I232-F235 HydrophobicContact CD1-CE2 4.02Å; I232-F235 HydrophobicContact CG2-CD2 3.61Å; I232-F235 HydrophobicContact CG2-CE2 3.59Å; I232-F235 PolarHBondContact O-N 3.32Å; I232-F235 VanDerWaalsContact O-N 3.12Å; P233-F235 PolarHBondContact O-N 3.42Å; F235-S237 PolarHBondContact O-N 3.47Å; F235-I238 HydrophobicContact CB-CB 4.49Å; F235-I238 HydrophobicContact CD1-CB 4.43Å; F235-I238 HydrophobicContact CD1-CD1 3.45Å; F235-I238 VanDerWaalsContact CD1-CD1 3.45Å; F235-I238 HydrophobicContact CD1-CG1 4.38Å; F235-I238 HydrophobicContact CE1-CD1 4.03Å; F235-I238 HydrophobicContact CG-CD1 4.37Å; F235-I238 WeakPolarHBondContact O-CB 3.43Å; F235-I238 PolarHBondContact O-N 2.82Å; F235-I239 PolarHBondContact O-N 3.27Å; F235-I239 VanDerWaalsContact O-N 3.17Å |
| 236 | N | 92.6 | Very high | 95.3 | Very high | 47 Ų | 47 | 34.1 Ų | 34.1 | 25% | 0.251 | 18% | 0.179 | S | C | . | . | G | 310 helix | trans | -59.6 | -32.4 | 178.3 | -78 | -44 | 0 | 0 | 0 | 113.3 | P216 T229 A230 P233 I238 | P216-N236 VanDerWaalsContact CG-O 3.25Å; P216-N236 WeakPolarHBondContact CG-O 2.88Å; T229-N236 WeakPolarHBondContact CA-OD1 3.38Å; T229-N236 WeakPolarHBondContact CB-OD1 3.45Å; A230-N236 PolarHBondContact N-OD1 2.59Å; P233-N236 WeakPolarHBondContact CA-ND2 3.3Å; P233-N236 WeakPolarHBondContact O-CB 3.42Å; P233-N236 PolarHBondContact O-N 3.39Å; P233-N236 VanDerWaalsContact O-N 3.14Å; P233-N236 PolarHBondContact O-ND2 3.05Å; P233-N236 VanDerWaalsContact O-ND2 3.11Å; N236-I238 VanDerWaalsContact C-N 3.34Å |
| 237 | S | 88.4 | Confident | 95.3 | Very high | 49 Ų | 49 | 35.2 Ų | 35.2 | 34% | 0.343 | 19% | 0.19 | S | C | . | . | G | 310 helix | trans | -93.9 | 9.9 | 176.1 | 57.4 | 0 | 0 | 0 | 0 | 113.3 | F235 Q574 R578 | F235-S237 PolarHBondContact O-N 3.47Å; S237-Q574 PolarHBondContact OG-NE2 3.02Å; S237-R578 PolarHBondContact O-NH1 2.96Å; S237-R578 PolarHBondContact OG-NH1 3.08Å; S237-R578 PolarHBondContact OG-NH2 2.9Å |
| 238 | I | 92.4 | Very high | 95.3 | Very high | 21 Ų | 21 | 36.7 Ų | 36.7 | 11% | 0.108 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | -44.2 | 177.8 | -64.6 | 179.5 | 0 | 0 | 0 | 109.7 | E209 F235 N236 G240 Q241 | E209-I238 HydrophobicContact CB-CG2 4.31Å; E209-I238 HydrophobicContact CG-CG2 3.31Å; F235-I238 HydrophobicContact CB-CB 4.49Å; F235-I238 HydrophobicContact CD1-CB 4.43Å; F235-I238 HydrophobicContact CD1-CD1 3.45Å; F235-I238 VanDerWaalsContact CD1-CD1 3.45Å; F235-I238 HydrophobicContact CD1-CG1 4.38Å; F235-I238 HydrophobicContact CE1-CD1 4.03Å; F235-I238 HydrophobicContact CG-CD1 4.37Å; F235-I238 WeakPolarHBondContact O-CB 3.43Å; F235-I238 PolarHBondContact O-N 2.82Å; N236-I238 VanDerWaalsContact C-N 3.34Å; I238-G240 PolarHBondContact O-N 3.16Å; I238-Q241 PolarHBondContact O-N 2.82Å |
| 239 | I | 95.9 | Very high | 95.3 | Very high | 6 Ų | 6 | 36.7 Ų | 36.7 | 3% | 0.031 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | 137.2 | -179.6 | 58.7 | 168.5 | 0 | 0 | 0 | 112.5 | Y208 P216 I228 F235 | Y208-I239 HydrophobicContact CD1-CG2 3.68Å; Y208-I239 HydrophobicContact CG-CG2 4.34Å; Y208-I239 VanDerWaalsContact O-CA 3.32Å; Y208-I239 WeakPolarHBondContact O-CA 3.33Å; P216-I239 HydrophobicContact CG-CD1 3.94Å; P216-I239 HydrophobicContact CG-CG1 3.86Å; I228-I239 HydrophobicContact CG1-CD1 4.36Å; I228-I239 HydrophobicContact CG2-CD1 4.15Å; F235-I239 PolarHBondContact O-N 3.27Å; F235-I239 VanDerWaalsContact O-N 3.17Å |
| 240 | G | 94.9 | Very high | 95.3 | Very high | 3 Ų | 3 | 36.1 Ų | 36.1 | 3% | 0.031 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.2 | 27 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | H213 Y214 Q215 I238 | H213-G240 WeakPolarHBondContact O-CA 3.43Å; Y214-G240 PolarHBondContact O-N 3.07Å; Q215-G240 VanDerWaalsContact CG-O 3.26Å; Q215-G240 WeakPolarHBondContact CG-O 3.29Å; Q215-G240 PolarHBondContact NE2-O 2.89Å; I238-G240 PolarHBondContact O-N 3.16Å |
| 241 | Q | 94.1 | Very high | 95.2 | Very high | 14 Ų | 14 | 39.6 Ų | 39.6 | 7% | 0.065 | 21% | 0.21 | C | C | . | . | trans | -56.5 | 147.1 | 168.6 | 69.6 | 80.5 | 19 | 0 | 0 | 111.5 | E209 I238 D244 M521 | E209-Q241 VanDerWaalsContact O-CG 3.25Å; E209-Q241 WeakPolarHBondContact O-CG 3.29Å; E209-Q241 PolarHBondContact O-NE2 2.65Å; I238-Q241 PolarHBondContact O-N 2.82Å; Q241-D244 PolarHBondContact NE2-O 3.4Å; Q241-M521 VanDerWaalsContact CD-CE 3.49Å; Q241-M521 HydrophobicContact CG-CE 4.3Å; Q241-M521 VanDerWaalsContact NE2-CE 3.32Å | ||
| 242 | R | 93.6 | Very high | 95 | Very high | 35 Ų | 35 | 35.5 Ų | 35.5 | 13% | 0.132 | 19% | 0.191 | C | C | . | . | trans | -130.9 | 44.6 | 179.4 | -61.2 | -65.9 | 176.8 | -103.7 | 3.9 | 111.3 | D42 A151 L211 H213 | D42-R242 VanDerWaalsContact CG-NH2 3.29Å; D42-R242 IonicContact OD1-CZ 3.52Å; D42-R242 IonicContact OD1-NE 3.09Å; D42-R242 PolarHBondContact OD1-NE 3.01Å; D42-R242 IonicContact OD1-NH2 2.72Å; D42-R242 PolarHBondContact OD1-NH2 3.14Å; D42-R242 IonicContact OD2-NH2 2.79Å; D42-R242 PolarHBondContact OD2-NH2 3.12Å; D42-R242 VanDerWaalsContact OD2-NH2 3.15Å; A151-R242 HydrophobicContact CB-CB 4.05Å; A151-R242 WeakPolarHBondContact CB-O 3.46Å; L211-R242 PolarHBondContact O-NH1 3.01Å; H213-R242 PolarHBondContact O-NH1 2.89Å; H213-R242 PolarHBondContact O-NH2 3.35Å | ||
| 243 | L | 94.6 | Very high | 95 | Very high | 18 Ų | 18 | 31.5 Ų | 31.5 | 9% | 0.094 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -92.9 | -63.3 | 176.9 | -60.5 | 171.8 | 0 | 0 | 0 | 110.5 | K150 M521 M575 F581 | K150-L243 VanDerWaalsContact CE-O 3.26Å; K150-L243 WeakPolarHBondContact CE-O 3.36Å; K150-L243 PolarHBondContact NZ-O 2.84Å; L243-M521 HydrophobicContact CB-CB 4.31Å; L243-M575 HydrophobicContact CD1-CE 4.35Å; L243-M575 HydrophobicContact CD1-CG 4.2Å; L243-M575 HydrophobicContact CD1-SD 4.07Å; L243-F581 HydrophobicContact CD1-CE2 4.32Å; L243-F581 HydrophobicContact CD1-CZ 4.08Å; L243-F581 HydrophobicContact CD2-CZ 4.48Å |
| 244 | D | 96.8 | Very high | 95.1 | Very high | 5 Ų | 5 | 29.2 Ų | 29.2 | 3% | 0.027 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -166.9 | -176.9 | -173.1 | -149.1 | -56.8 | 0 | 0 | 0 | 110.1 | K105 K150 Q241 M521 | K105-D244 IonicContact NZ-OD1 2.88Å; K105-D244 PolarHBondContact NZ-OD1 2.03Å; K105-D244 IonicContact NZ-OD2 3.23Å; K105-D244 PolarHBondContact NZ-OD2 3.39Å; K150-D244 IonicContact NZ-OD1 2.85Å; K150-D244 IonicContact NZ-OD2 3.61Å; K150-D244 PolarHBondContact NZ-OD2 3.26Å; Q241-D244 PolarHBondContact NE2-O 3.4Å; D244-M521 HydrophobicContact CB-CB 4.1Å; D244-M521 HydrophobicContact CB-CG 4.22Å; D244-M521 WeakPolarHBondContact O-CE 3.09Å |
| 245 | F | 98.2 | Very high | 95.3 | Very high | 2 Ų | 2 | 28 Ų | 28 | 1% | 0.009 | 14% | 0.144 | C | C | . | . | trans | -58.1 | 136.9 | 167.7 | -51.1 | -66.8 | 0 | 0 | 0 | 111.4 | M101 F102 K105 E154 L158 L211 D249 L250 M521 | M101-F245 HydrophobicContact CB-CE2 4.18Å; F102-F245 HydrophobicContact CD1-CZ 4.03Å; F102-F245 HydrophobicContact CD2-CZ 4.04Å; F102-F245 AromaticContact CE1-CE1 3.96Å; F102-F245 HydrophobicContact CE1-CE1 3.96Å; F102-F245 HydrophobicContact CE1-CE2 4.43Å; F102-F245 AromaticContact CE1-CZ 3.56Å; F102-F245 HydrophobicContact CE1-CZ 3.56Å; F102-F245 HydrophobicContact CE2-CE1 4.36Å; F102-F245 HydrophobicContact CE2-CE2 4.49Å; F102-F245 AromaticContact CE2-CZ 3.57Å; F102-F245 HydrophobicContact CE2-CZ 3.57Å; F102-F245 HydrophobicContact CG-CZ 4.25Å; F102-F245 AromaticContact CZ-CE1 3.72Å; F102-F245 HydrophobicContact CZ-CE1 3.72Å; F102-F245 HydrophobicContact CZ-CE2 4.43Å; F102-F245 AromaticContact CZ-CZ 3.31Å; F102-F245 HydrophobicContact CZ-CZ 3.31Å; K105-F245 HydrophobicContact CD-CD2 3.92Å; E154-F245 HydrophobicContact CB-CE1 3.73Å; E154-F245 HydrophobicContact CB-CE2 4.45Å; E154-F245 HydrophobicContact CB-CZ 3.62Å; E154-F245 HydrophobicContact CG-CE1 4.17Å; E154-F245 HydrophobicContact CG-CE2 3.99Å; E154-F245 HydrophobicContact CG-CZ 3.52Å; L158-F245 HydrophobicContact CD1-CD1 3.8Å; L158-F245 HydrophobicContact CD1-CE1 3.76Å; L158-F245 HydrophobicContact CD2-CE1 4.2Å; L158-F245 HydrophobicContact CG-CD1 4.35Å; L158-F245 HydrophobicContact CG-CE1 3.85Å; L211-F245 HydrophobicContact CD2-CD1 3.94Å; L211-F245 HydrophobicContact CD2-CE1 4.03Å; F245-D249 HydrophobicContact CB-CB 4.2Å; F245-L250 HydrophobicContact CB-CD1 4.29Å; F245-L250 HydrophobicContact CB-CD2 3.81Å; F245-L250 HydrophobicContact CB-CG 3.74Å; F245-L250 HydrophobicContact CD2-CD2 3.88Å; F245-L250 HydrophobicContact CG-CD2 3.86Å; F245-L250 HydrophobicContact CG-CG 4.36Å; F245-M521 WeakPolarHBondContact O-CG 3.38Å | ||
| 246 | S | 97.7 | Very high | 95.2 | Very high | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.007 | 13% | 0.131 | C | C | . | . | trans | -70.3 | 167.1 | 164.4 | 85.2 | 0 | 0 | 0 | 0 | 110.8 | D207 I248 D249 L250 | D207-S246 WeakPolarHBondContact OD2-CB 3.37Å; D207-S246 PolarHBondContact OD2-OG 3.05Å; S246-I248 PolarHBondContact O-N 2.87Å; S246-I248 PolarHBondContact OG-N 3.46Å; S246-I248 VanDerWaalsContact OG-N 3.12Å; S246-D249 PolarHBondContact N-OD2 2.95Å; S246-D249 PolarHBondContact O-N 3.11Å; S246-D249 VanDerWaalsContact OG-CG 3.29Å; S246-D249 PolarHBondContact OG-N 2.73Å; S246-D249 PolarHBondContact OG-OD2 2.87Å; S246-L250 WeakPolarHBondContact O-CG 3.4Å; S246-L250 PolarHBondContact O-N 2.81Å | ||
| 247 | A | 96.8 | Very high | 95.3 | Very high | 54 Ų | 54 | 24.2 Ų | 24.2 | 45% | 0.446 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -60.6 | -33.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | E251 | A247-E251 WeakPolarHBondContact O-CB 3.19Å; A247-E251 PolarHBondContact O-N 3.03Å |
| 248 | I | 97.5 | Very high | 95.6 | Very high | 32 Ų | 32 | 28.1 Ų | 28.1 | 16% | 0.164 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -78.9 | -35 | -178.2 | -64.5 | 168.2 | 0 | 0 | 0 | 111.1 | T204 P205 D207 S246 L250 E251 R252 | T204-I248 HydrophobicContact CG2-CG2 4.22Å; T204-I248 VanDerWaalsContact OG1-CG2 3.31Å; T204-I248 WeakPolarHBondContact OG1-CG2 3.23Å; P205-I248 HydrophobicContact CG-CD1 3.95Å; D207-I248 HydrophobicContact CB-CB 4.04Å; D207-I248 HydrophobicContact CB-CD1 3.85Å; D207-I248 HydrophobicContact CB-CG2 4.02Å; S246-I248 PolarHBondContact O-N 2.87Å; S246-I248 PolarHBondContact OG-N 3.46Å; S246-I248 VanDerWaalsContact OG-N 3.12Å; I248-L250 VanDerWaalsContact C-N 3.3Å; I248-L250 PolarHBondContact O-N 3.1Å; I248-E251 PolarHBondContact O-N 3.48Å; I248-R252 HydrophobicContact CG2-CG 4.46Å; I248-R252 WeakPolarHBondContact O-CG 3.41Å; I248-R252 PolarHBondContact O-N 3.11Å |
| 249 | D | 98.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -55.7 | -48.9 | 170.8 | -68.5 | -34.6 | 0 | 0 | 0 | 110 | S210 L211 F245 S246 R252 L253 | S210-D249 WeakPolarHBondContact CA-OD2 3.44Å; S210-D249 WeakPolarHBondContact CB-OD1 3.49Å; S210-D249 PolarHBondContact OG-OD1 2.6Å; L211-D249 WeakPolarHBondContact CB-OD2 3.34Å; L211-D249 PolarHBondContact N-OD2 2.95Å; F245-D249 HydrophobicContact CB-CB 4.2Å; S246-D249 PolarHBondContact N-OD2 2.95Å; S246-D249 PolarHBondContact O-N 3.11Å; S246-D249 VanDerWaalsContact OG-CG 3.29Å; S246-D249 PolarHBondContact OG-N 2.73Å; S246-D249 PolarHBondContact OG-OD2 2.87Å; D249-R252 PolarHBondContact O-N 3.04Å; D249-L253 WeakPolarHBondContact O-CB 3.48Å; D249-L253 PolarHBondContact O-N 3.3Å |
| 250 | L | 97.4 | Very high | 95.7 | Very high | 8 Ų | 8 | 34.3 Ų | 34.3 | 4% | 0.042 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -66.2 | -40 | 177.7 | -66.2 | 174.5 | 0 | 0 | 0 | 112.6 | K105 F245 S246 I248 L253 N254 R518 | K105-L250 HydrophobicContact CB-CD1 3.94Å; K105-L250 HydrophobicContact CB-CD2 3.62Å; K105-L250 HydrophobicContact CB-CG 4.43Å; K105-L250 HydrophobicContact CD-CD1 4.03Å; K105-L250 HydrophobicContact CD-CD2 4.37Å; K105-L250 HydrophobicContact CG-CD1 4.3Å; F245-L250 HydrophobicContact CB-CD1 4.29Å; F245-L250 HydrophobicContact CB-CD2 3.81Å; F245-L250 HydrophobicContact CB-CG 3.74Å; F245-L250 HydrophobicContact CD2-CD2 3.88Å; F245-L250 HydrophobicContact CG-CD2 3.86Å; F245-L250 HydrophobicContact CG-CG 4.36Å; S246-L250 WeakPolarHBondContact O-CG 3.4Å; S246-L250 PolarHBondContact O-N 2.81Å; I248-L250 VanDerWaalsContact C-N 3.3Å; I248-L250 PolarHBondContact O-N 3.1Å; L250-L253 PolarHBondContact O-N 2.87Å; L250-N254 WeakPolarHBondContact O-CB 3.34Å; L250-N254 PolarHBondContact O-N 2.99Å; L250-N254 PolarHBondContact O-ND2 3.27Å; L250-R518 VanDerWaalsContact CD1-O 3.24Å; L250-R518 WeakPolarHBondContact CD1-O 3.13Å |
| 251 | E | 96.6 | Very high | 95.4 | Very high | 77 Ų | 77 | 38.3 Ų | 38.3 | 36% | 0.36 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -60.2 | -47 | 176.1 | 177.2 | 163.8 | -139 | 0 | 0 | 111.2 | T204 A247 I248 R255 | T204-E251 HydrophobicContact CG2-CG 4.18Å; A247-E251 WeakPolarHBondContact O-CB 3.19Å; A247-E251 PolarHBondContact O-N 3.03Å; I248-E251 PolarHBondContact O-N 3.48Å; E251-R255 HydrophobicContact CG-CG 4.46Å; E251-R255 VanDerWaalsContact O-CB 3.3Å; E251-R255 WeakPolarHBondContact O-CB 3.41Å; E251-R255 WeakPolarHBondContact O-CG 3.19Å; E251-R255 PolarHBondContact O-N 3.09Å; E251-R255 IonicContact OE1-CZ 2.57Å; E251-R255 VanDerWaalsContact OE1-CZ 3.24Å; E251-R255 IonicContact OE1-NE 3.09Å; E251-R255 PolarHBondContact OE1-NE 3.28Å; E251-R255 IonicContact OE1-NH2 2.87Å; E251-R255 PolarHBondContact OE1-NH2 2.81Å; E251-R255 IonicContact OE2-NH2 3.43Å |
| 252 | R | 95.1 | Very high | 95.4 | Very high | 11 Ų | 11 | 38.7 Ų | 38.7 | 4% | 0.042 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.7 | -44.7 | 176.1 | -72.3 | -168.5 | -170.4 | 139.8 | 13.8 | 111.7 | F163 E166 D201 L202 T204 P205 I248 D249 N254 R255 M256 | F163-R252 HydrophobicContact CE1-CB 3.77Å; F163-R252 HydrophobicContact CZ-CB 3.98Å; E166-R252 IonicContact OE1-CZ 3.76Å; E166-R252 IonicContact OE1-NH1 3.72Å; E166-R252 IonicContact OE1-NH2 3.73Å; E166-R252 PolarHBondContact OE1-NH2 3.44Å; E166-R252 IonicContact OE2-CZ 3.32Å; E166-R252 IonicContact OE2-NH1 3.75Å; E166-R252 PolarHBondContact OE2-NH1 2.77Å; E166-R252 IonicContact OE2-NH2 2.66Å; E166-R252 PolarHBondContact OE2-NH2 3.1Å; D201-R252 PolarHBondContact O-NE 2.85Å; D201-R252 VanDerWaalsContact O-NE 3.08Å; L202-R252 HydrophobicContact CB-CG 4.41Å; L202-R252 HydrophobicContact CD1-CB 4.17Å; L202-R252 WeakPolarHBondContact CD1-O 3.07Å; T204-R252 HydrophobicContact CG2-CG 3.75Å; T204-R252 VanDerWaalsContact OG1-CZ 3.25Å; T204-R252 PolarHBondContact OG1-NE 2.84Å; T204-R252 PolarHBondContact OG1-NH2 3.19Å; P205-R252 PolarHBondContact O-NH2 3.39Å; I248-R252 HydrophobicContact CG2-CG 4.46Å; I248-R252 WeakPolarHBondContact O-CG 3.41Å; I248-R252 PolarHBondContact O-N 3.11Å; D249-R252 PolarHBondContact O-N 3.04Å; R252-N254 PolarHBondContact O-N 3.25Å; R252-R255 PolarHBondContact O-N 3.44Å; R252-M256 VanDerWaalsContact O-CB 3.3Å; R252-M256 WeakPolarHBondContact O-CB 3.3Å; R252-M256 PolarHBondContact O-N 2.88Å |
| 253 | L | 96 | Very high | 95.4 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.3 | -47.8 | -179.8 | 176.8 | 64.2 | 0 | 0 | 0 | 111 | F102 V108 L158 L161 F163 D249 L250 M256 Y257 | F102-L253 HydrophobicContact CD1-CD2 4.09Å; F102-L253 HydrophobicContact CE1-CD2 3.97Å; V108-L253 HydrophobicContact CG2-CD1 4.09Å; V108-L253 HydrophobicContact CG2-CD2 4.02Å; V108-L253 HydrophobicContact CG2-CG 4.28Å; L158-L253 HydrophobicContact CD2-CD1 4.44Å; L158-L253 HydrophobicContact CD2-CD2 4.31Å; L161-L253 HydrophobicContact CB-CD1 4.42Å; L161-L253 HydrophobicContact CD1-CD1 3.85Å; F163-L253 HydrophobicContact CE2-CB 4.25Å; F163-L253 HydrophobicContact CE2-CD1 3.84Å; F163-L253 HydrophobicContact CZ-CB 3.89Å; F163-L253 HydrophobicContact CZ-CD1 4.34Å; D249-L253 WeakPolarHBondContact O-CB 3.48Å; D249-L253 PolarHBondContact O-N 3.3Å; L250-L253 PolarHBondContact O-N 2.87Å; L253-M256 PolarHBondContact O-N 3.24Å; L253-Y257 HydrophobicContact CD1-CD2 3.73Å; L253-Y257 HydrophobicContact CD1-CE2 3.92Å; L253-Y257 PolarHBondContact O-N 3.41Å |
| 254 | N | 96.3 | Very high | 95.5 | Very high | 38 Ų | 38 | 38.8 Ų | 38.8 | 20% | 0.203 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -69 | -37 | -179.1 | -71.3 | -36.8 | 0 | 0 | 0 | 112 | K105 S106 L250 R252 N258 C259 | K105-N254 PolarHBondContact O-ND2 2.73Å; S106-N254 WeakPolarHBondContact CA-OD1 3.29Å; S106-N254 WeakPolarHBondContact CB-OD1 3.49Å; L250-N254 WeakPolarHBondContact O-CB 3.34Å; L250-N254 PolarHBondContact O-N 2.99Å; L250-N254 PolarHBondContact O-ND2 3.27Å; R252-N254 PolarHBondContact O-N 3.25Å; N254-N258 CarbonylContact O-C 3.53Å; N254-N258 WeakPolarHBondContact O-CA 3.24Å; N254-N258 PolarHBondContact O-N 2.97Å; N254-C259 HydrophobicContact CB-CB 3.85Å; N254-C259 PolarHBondContact O-N 2.55Å; N254-C259 WeakPolarHBondContact OD1-CB 3.41Å; N254-C259 PolarHBondContact OD1-SG 3.48Å |
| 255 | R | 94.6 | Very high | 95.5 | Very high | 101 Ų | 101 | 39.9 Ų | 39.9 | 38% | 0.381 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -63.9 | -42.1 | 171 | -75.6 | 173.2 | -176.3 | -170.7 | 2.4 | 111.4 | L202 N203 E251 R252 Y257 N258 | L202-R255 PolarHBondContact O-NH1 3.04Å; N203-R255 PolarHBondContact O-NH1 3.14Å; E251-R255 HydrophobicContact CG-CG 4.46Å; E251-R255 VanDerWaalsContact O-CB 3.3Å; E251-R255 WeakPolarHBondContact O-CB 3.41Å; E251-R255 WeakPolarHBondContact O-CG 3.19Å; E251-R255 PolarHBondContact O-N 3.09Å; E251-R255 IonicContact OE1-CZ 2.57Å; E251-R255 VanDerWaalsContact OE1-CZ 3.24Å; E251-R255 IonicContact OE1-NE 3.09Å; E251-R255 PolarHBondContact OE1-NE 3.28Å; E251-R255 IonicContact OE1-NH2 2.87Å; E251-R255 PolarHBondContact OE1-NH2 2.81Å; E251-R255 IonicContact OE2-NH2 3.43Å; R252-R255 PolarHBondContact O-N 3.44Å; R255-Y257 PolarHBondContact O-N 3.05Å; R255-N258 PolarHBondContact O-N 3.32Å; R255-N258 PolarHBondContact O-OD1 3.45Å |
| 256 | M | 92.1 | Very high | 95.4 | Very high | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.01 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.1 | -41.5 | -178.7 | -175.4 | 164.9 | 72.1 | 0 | 0 | 112.4 | L68 R74 L161 F163 L202 R252 L253 | L68-M256 HydrophobicContact CD1-CE 3.81Å; L68-M256 HydrophobicContact CD1-SD 3.22Å; L68-M256 WeakPolarHBondContact CD1-SD 3.18Å; L68-M256 HydrophobicContact CG-SD 3.62Å; R74-M256 PolarHBondContact NH1-O 2.71Å; L161-M256 WeakPolarHBondContact O-CE 3.11Å; F163-M256 HydrophobicContact CD2-CE 4.03Å; F163-M256 HydrophobicContact CE2-CE 3.44Å; F163-M256 VanDerWaalsContact CE2-CE 3.44Å; F163-M256 HydrophobicContact CZ-CE 4.31Å; L202-M256 HydrophobicContact CD1-CB 3.94Å; R252-M256 VanDerWaalsContact O-CB 3.3Å; R252-M256 WeakPolarHBondContact O-CB 3.3Å; R252-M256 PolarHBondContact O-N 2.88Å; L253-M256 PolarHBondContact O-N 3.24Å |
| 257 | Y | 94.6 | Very high | 95.4 | Very high | 31 Ų | 31 | 41.2 Ų | 41.2 | 12% | 0.122 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | 8.1 | -178.2 | -76.5 | -78.9 | 0 | 0 | 0 | 114.5 | R74 W75 F77 L161 L253 R255 C259 | R74-Y257 HydrophobicContact CB-CE1 4Å; W75-Y257 PolarHBondContact N-OH 3.1Å; W75-Y257 WeakPolarHBondContact O-CE1 3.49Å; F77-Y257 HydrophobicContact CD2-CD1 4.44Å; F77-Y257 HydrophobicContact CE1-CD1 4.12Å; F77-Y257 AromaticContact CE1-CE1 3.8Å; F77-Y257 HydrophobicContact CE1-CE1 3.8Å; F77-Y257 AromaticContact CE2-CD1 3.42Å; F77-Y257 HydrophobicContact CE2-CD1 3.42Å; F77-Y257 VanDerWaalsContact CE2-CD1 3.42Å; F77-Y257 HydrophobicContact CE2-CD2 4.28Å; F77-Y257 AromaticContact CE2-CE1 3.98Å; F77-Y257 HydrophobicContact CE2-CE1 3.98Å; F77-Y257 AromaticContact CE2-CG 3.58Å; F77-Y257 HydrophobicContact CE2-CG 3.58Å; F77-Y257 AromaticContact CZ-CD1 3.21Å; F77-Y257 HydrophobicContact CZ-CD1 3.21Å; F77-Y257 AromaticContact CZ-CD2 3.81Å; F77-Y257 HydrophobicContact CZ-CD2 3.81Å; F77-Y257 AromaticContact CZ-CE1 3.29Å; F77-Y257 HydrophobicContact CZ-CE1 3.29Å; F77-Y257 AromaticContact CZ-CE2 3.84Å; F77-Y257 HydrophobicContact CZ-CE2 3.84Å; F77-Y257 AromaticContact CZ-CG 3.48Å; F77-Y257 HydrophobicContact CZ-CG 3.48Å; F77-Y257 VanDerWaalsContact CZ-CG 3.48Å; F77-Y257 AromaticContact CZ-CZ 3.59Å; L161-Y257 HydrophobicContact CB-CE2 4.21Å; L161-Y257 HydrophobicContact CD2-CE2 3.78Å; L161-Y257 WeakPolarHBondContact CD2-OH 3.31Å; L161-Y257 PolarHBondContact O-OH 3.16Å; L253-Y257 HydrophobicContact CD1-CD2 3.73Å; L253-Y257 HydrophobicContact CD1-CE2 3.92Å; L253-Y257 PolarHBondContact O-N 3.41Å; R255-Y257 PolarHBondContact O-N 3.05Å; Y257-C259 PolarHBondContact O-N 2.91Å |
| 258 | N | 95.2 | Very high | 95.4 | Very high | 131 Ų | 131 | 40.6 Ų | 40.6 | 70% | 0.701 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.5 | 42 | -177 | -59.9 | -37.6 | 0 | 0 | 0 | 112.9 | N254 R255 T260 | N254-N258 CarbonylContact O-C 3.53Å; N254-N258 WeakPolarHBondContact O-CA 3.24Å; N254-N258 PolarHBondContact O-N 2.97Å; R255-N258 PolarHBondContact O-N 3.32Å; R255-N258 PolarHBondContact O-OD1 3.45Å; N258-T260 PolarHBondContact O-N 2.92Å |
| 259 | C | 95.6 | Very high | 95.4 | Very high | 25 Ų | 25 | 39.1 Ų | 39.1 | 17% | 0.169 | 20% | 0.204 | C | C | . | . | trans | -70.2 | 116.6 | -179.1 | -62.8 | 0 | 0 | 0 | 0 | 110.8 | C107 N254 Y257 | C107-C259 HydrophobicContact CB-CB 3.54Å; C107-C259 WeakPolarHBondContact CB-SG 3.43Å; C107-C259 PolarHBondContact N-SG 3.42Å; C107-C259 WeakPolarHBondContact SG-CA 3.31Å; C107-C259 WeakPolarHBondContact SG-CB 3.45Å; C107-C259 CovalentContact SG-SG 2.04Å; C107-C259 PolarHBondContact SG-SG 2.97Å; N254-C259 HydrophobicContact CB-CB 3.85Å; N254-C259 PolarHBondContact O-N 2.55Å; N254-C259 WeakPolarHBondContact OD1-CB 3.41Å; N254-C259 PolarHBondContact OD1-SG 3.48Å; Y257-C259 PolarHBondContact O-N 2.91Å | ||
| 260 | T | 93.1 | Very high | 95.3 | Very high | 132 Ų | 132 | 40.2 Ų | 40.2 | 81% | 0.81 | 21% | 0.21 | S | C | * | . | trans | -100.4 | -18.2 | 175.4 | 56.4 | 0 | 0 | 0 | 0 | 113.3 | N258 | N258-T260 PolarHBondContact O-N 2.92Š| ||
| 261 | T | 90.6 | Very high | 95.2 | Very high | 87 Ų | 87 | 39.9 Ų | 39.9 | 53% | 0.534 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -146.2 | 155.7 | -177.3 | 58.6 | 0 | 0 | 0 | 0 | 109.7 | C107 | C107-T261 WeakPolarHBondContact CB-O 3.19Š|
| 262 | T | 93.9 | Very high | 95.1 | Very high | 22 Ų | 22 | 39.1 Ų | 39.1 | 14% | 0.135 | 21% | 0.205 | C | C | . | . | trans | -92.6 | 166.6 | 170.2 | 55.2 | 0 | 0 | 0 | 0 | 110.7 | L104 S106 L265 | L104-T262 WeakPolarHBondContact O-CB 3.49Å; L104-T262 WeakPolarHBondContact O-CG2 3.24Å; S106-T262 WeakPolarHBondContact O-CA 3.37Å; T262-L265 VanDerWaalsContact OG1-CB 3.24Å; T262-L265 WeakPolarHBondContact OG1-CB 3.21Å | ||
| 263 | H | 93.6 | Very high | 95 | Very high | 54 Ų | 54 | 45.8 Ų | 45.8 | 25% | 0.25 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -83.4 | -42.9 | 179.5 | -74.4 | -71 | 0 | 0 | 0 | 113.4 | R103 C107 V108 D109 | R103-H263 HydrophobicContact CB-CB 3.93Å; R103-H263 HydrophobicContact CG-CB 4.18Å; R103-H263 WeakPolarHBondContact O-CA 3.41Å; R103-H263 WeakPolarHBondContact O-CB 3.36Å; R103-H263 PolarHBondContact O-N 3.3Å; C107-H263 VanDerWaalsContact C-NE2 3.29Å; C107-H263 PolarHBondContact O-CD2 3.42Å; C107-H263 PolarHBondContact O-NE2 3.24Å; V108-H263 PolarHBondContact O-CD2 2.86Å; D109-H263 WeakPolarHBondContact CB-NE2 3.25Å |
| 264 | T | 96.4 | Very high | 94.8 | Very high | 1 Ų | 1 | 50.3 Ų | 50.3 | 1% | 0.006 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -108.1 | -16 | -171.1 | 53.8 | 0 | 0 | 0 | 0 | 114.5 | R103 L104 L266 T427 E428 T429 | R103-T264 HydrophobicContact CB-CG2 3.93Å; R103-T264 PolarHBondContact O-N 3.29Å; R103-T264 PolarHBondContact O-OG1 3.09Å; L104-T264 WeakPolarHBondContact CA-OG1 3.29Å; L104-T264 PolarHBondContact N-OG1 2.8Å; T264-L266 PolarHBondContact O-N 3.14Å; T264-T427 CarbonylContact O-C 3.58Å; T264-T427 VanDerWaalsContact O-CA 3.27Å; T264-T427 WeakPolarHBondContact O-CA 3.11Å; T264-E428 HydrophobicContact CG2-CB 4.37Å; T264-E428 PolarHBondContact O-N 3.07Å; T264-T429 HydrophobicContact CG2-CG2 4.48Å |
| 265 | L | 96.9 | Very high | 94.8 | Very high | 28 Ų | 28 | 53.4 Ų | 53.4 | 15% | 0.147 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 118.8 | 173 | -172.2 | 63.2 | 0 | 0 | 0 | 110.9 | L104 T262 D267 H268 T425 T427 V517 R518 | L104-L265 HydrophobicContact CD1-CB 4.32Å; T262-L265 VanDerWaalsContact OG1-CB 3.24Å; T262-L265 WeakPolarHBondContact OG1-CB 3.21Å; L265-D267 WeakPolarHBondContact CD1-O 3.31Å; L265-H268 HydrophobicContact CD1-CB 4.49Å; L265-T425 HydrophobicContact CD1-CG2 3.94Å; L265-T427 HydrophobicContact CD1-CG2 4.02Å; L265-V517 HydrophobicContact CD1-CG1 3.67Å; L265-V517 HydrophobicContact CD2-CG1 4.25Å; L265-R518 HydrophobicContact CD2-CG 3.94Å |
| 266 | L | 96.4 | Very high | 94.8 | Very high | 25 Ų | 25 | 49.8 Ų | 49.8 | 13% | 0.131 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | -39.8 | 175.2 | -72 | 179.3 | 0 | 0 | 0 | 112.6 | T264 R333 Y336 P337 Q342 F401 L426 E428 | T264-L266 PolarHBondContact O-N 3.14Å; L266-R333 PolarHBondContact O-NH2 2.9Å; L266-Y336 WeakPolarHBondContact CD2-O 3.34Å; L266-P337 HydrophobicContact CD1-CB 4.27Å; L266-Q342 HydrophobicContact CD1-CG 3.88Å; L266-F401 HydrophobicContact CD1-CE1 4.48Å; L266-L426 HydrophobicContact CB-CB 4.48Å; L266-L426 HydrophobicContact CB-CD2 3.79Å; L266-L426 HydrophobicContact CB-CG 4.07Å; L266-L426 HydrophobicContact CD1-CD2 3.87Å; L266-L426 HydrophobicContact CD1-CG 4.26Å; L266-L426 HydrophobicContact CG-CD2 4.5Å; L266-L426 PolarHBondContact N-O 2.72Å; L266-E428 HydrophobicContact CD1-CG 3.54Å; L266-E428 HydrophobicContact CD2-CG 4.05Å; L266-E428 HydrophobicContact CG-CG 3.52Å |
| 267 | D | 96.8 | Very high | 95 | Very high | 6 Ų | 6 | 51.1 Ų | 51.1 | 3% | 0.032 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 150.5 | -178.7 | -148.9 | 4 | 0 | 0 | 0 | 112.9 | L265 R333 L335 Y403 L426 | L265-D267 WeakPolarHBondContact CD1-O 3.31Å; D267-R333 VanDerWaalsContact CG-NH1 3.32Å; D267-R333 IonicContact OD1-CZ 2.7Å; D267-R333 IonicContact OD1-NH1 3.63Å; D267-R333 PolarHBondContact OD1-NH1 2.8Å; D267-R333 IonicContact OD1-NH2 3.13Å; D267-R333 PolarHBondContact OD1-NH2 3.26Å; D267-R333 IonicContact OD2-CZ 3.18Å; D267-R333 IonicContact OD2-NH1 3.49Å; D267-R333 PolarHBondContact OD2-NH1 2.83Å; D267-R333 IonicContact OD2-NH2 3.98Å; D267-L335 HydrophobicContact CB-CD1 4.42Å; D267-L335 HydrophobicContact CB-CD2 3.95Å; D267-Y403 HydrophobicContact CB-CE1 4.39Å; D267-Y403 PolarHBondContact OD2-OH 3.18Å; D267-L426 HydrophobicContact CB-CB 4Å; D267-L426 PolarHBondContact N-O 3.47Å; D267-L426 PolarHBondContact O-N 3.24Å |
| 268 | H | 96.6 | Very high | 95.2 | Very high | 42 Ų | 42 | 51.2 Ų | 51.2 | 19% | 0.194 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 128.8 | 174.6 | 173.3 | 59.2 | 0 | 0 | 0 | 109.2 | L265 T270 I424 P515 | L265-H268 HydrophobicContact CD1-CB 4.49Å; H268-T270 WeakPolarHBondContact CE1-CG2 3.21Å; H268-T270 WeakPolarHBondContact NE2-CG2 3.21Å; H268-I424 CarbonylContact C-O 3.54Å; H268-I424 WeakPolarHBondContact CA-O 3.49Å; H268-I424 PolarHBondContact ND1-O 2.9Å; H268-P515 PolarHBondContact CE1-O 3.39Å |
| 269 | C | 97.3 | Very high | 95.3 | Very high | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.007 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 116 | -178.4 | -162.9 | 0 | 0 | 0 | 0 | 113.2 | F271 C277 I424 | C269-F271 VanDerWaalsContact SG-CD1 3.58Å; C269-F271 VanDerWaalsContact SG-CE1 3.6Å; C269-C277 WeakPolarHBondContact CA-SG 3.3Å; C269-C277 HydrophobicContact CB-CB 3.64Å; C269-C277 WeakPolarHBondContact CB-SG 3.38Å; C269-C277 WeakPolarHBondContact SG-CB 3.5Å; C269-C277 CovalentContact SG-SG 2.04Å; C269-C277 PolarHBondContact SG-SG 3.46Å; C269-I424 HydrophobicContact CB-CB 4.4Å; C269-I424 PolarHBondContact N-O 3.08Å; C269-I424 PolarHBondContact O-N 2.94Å |
| 270 | T | 95.9 | Very high | 95.3 | Very high | 23 Ų | 23 | 47.7 Ų | 47.7 | 14% | 0.141 | 27% | 0.274 | C | S | . | . | trans | -105 | 5.2 | 174.4 | 62.5 | 0 | 0 | 0 | 0 | 112.4 | H268 E272 D423 P515 | H268-T270 WeakPolarHBondContact CE1-CG2 3.21Å; H268-T270 WeakPolarHBondContact NE2-CG2 3.21Å; T270-E272 PolarHBondContact O-N 3.49Å; T270-E272 WeakPolarHBondContact OG1-CG 3.24Å; T270-D423 WeakPolarHBondContact CG2-OD1 3.25Å; T270-P515 HydrophobicContact CG2-CB 3.76Å | ||
| 271 | F | 96 | Very high | 95.4 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 25% | 0.246 | C | C | . | . | S | Bend | trans | 58.3 | 5.9 | -177.9 | -53.9 | -68.7 | 0 | 0 | 0 | 117.7 | C269 K273 I276 M279 H291 Y313 M315 L330 I424 | C269-F271 VanDerWaalsContact SG-CD1 3.58Å; C269-F271 VanDerWaalsContact SG-CE1 3.6Å; F271-K273 PolarHBondContact O-N 3.41Å; F271-I276 HydrophobicContact CD1-CB 4.13Å; F271-I276 HydrophobicContact CD1-CG2 4.19Å; F271-M279 HydrophobicContact CE1-SD 3.7Å; F271-M279 HydrophobicContact CZ-SD 3.97Å; F271-H291 PolarHBondContact O-NE2 2.91Å; F271-Y313 VanDerWaalsContact O-CB 3.29Å; F271-Y313 WeakPolarHBondContact O-CB 3.39Å; F271-M315 HydrophobicContact CD1-CG 3.58Å; F271-M315 HydrophobicContact CD1-SD 3.98Å; F271-M315 HydrophobicContact CD2-CG 4.03Å; F271-M315 HydrophobicContact CE1-CG 3.31Å; F271-M315 HydrophobicContact CE1-SD 4.1Å; F271-M315 HydrophobicContact CE2-CB 4.4Å; F271-M315 HydrophobicContact CE2-CG 3.77Å; F271-M315 HydrophobicContact CG-CG 3.91Å; F271-M315 HydrophobicContact CG-SD 4.5Å; F271-M315 HydrophobicContact CZ-CB 4.28Å; F271-M315 HydrophobicContact CZ-CG 3.38Å; F271-L330 HydrophobicContact CE1-CD2 4.39Å; F271-L330 HydrophobicContact CZ-CD2 4.24Å; F271-I424 HydrophobicContact CE1-CD1 4.4Å; F271-I424 HydrophobicContact CE2-CD1 3.73Å; F271-I424 HydrophobicContact CE2-CG1 4.36Å; F271-I424 HydrophobicContact CZ-CD1 3.35Å; F271-I424 HydrophobicContact CZ-CG1 4.42Å |
| 272 | E | 94.3 | Very high | 95.3 | Very high | 62 Ų | 62 | 40 Ų | 40 | 29% | 0.29 | 23% | 0.226 | S | C | . | . | trans | -61.3 | -12.6 | 179.4 | -65 | -52.5 | 117.3 | 0 | 0 | 115.3 | T270 T303 G312 Y313 | T270-E272 PolarHBondContact O-N 3.49Å; T270-E272 WeakPolarHBondContact OG1-CG 3.24Å; E272-T303 HydrophobicContact CG-CG2 4.3Å; E272-G312 WeakPolarHBondContact OE1-CA 3.2Å; E272-G312 WeakPolarHBondContact OE2-CA 3.41Å; E272-Y313 PolarHBondContact OE1-N 2.89Å | ||
| 273 | K | 93.1 | Very high | 95 | Very high | 151 Ų | 151 | 45.4 Ų | 45.4 | 66% | 0.657 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -115.1 | 140.4 | 179.1 | -64.3 | -178 | -177.3 | 174.8 | 0 | 110.7 | F271 N275 I276 | F271-K273 PolarHBondContact O-N 3.41Å; K273-N275 VanDerWaalsContact CB-OD1 3.26Å; K273-N275 WeakPolarHBondContact CB-OD1 3.48Å; K273-N275 PolarHBondContact O-N 3.32Å; K273-I276 PolarHBondContact O-N 3.17Å |
| 274 | A | 92.5 | Very high | 94.8 | Very high | 95 Ų | 95 | 49 Ų | 49 | 79% | 0.785 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -19.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115 | I276 | A274-I276 PolarHBondContact O-N 3.46Š|
| 275 | N | 94.9 | Very high | 94.5 | Very high | 102 Ų | 102 | 50.5 Ų | 50.5 | 55% | 0.545 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -0.8 | 174.4 | 74.1 | -32.2 | 0 | 0 | 0 | 113.2 | K273 C277 G278 | K273-N275 VanDerWaalsContact CB-OD1 3.26Å; K273-N275 WeakPolarHBondContact CB-OD1 3.48Å; K273-N275 PolarHBondContact O-N 3.32Å; N275-C277 PolarHBondContact O-N 2.8Å; N275-G278 PolarHBondContact O-N 3.18Å |
| 276 | I | 95.9 | Very high | 94.4 | Very high | 25 Ų | 25 | 54.5 Ų | 54.5 | 13% | 0.128 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | 44.3 | 42.1 | 178.5 | 59.5 | 169.6 | 0 | 0 | 0 | 112.5 | F271 K273 A274 G278 M279 H291 M315 | F271-I276 HydrophobicContact CD1-CB 4.13Å; F271-I276 HydrophobicContact CD1-CG2 4.19Å; K273-I276 PolarHBondContact O-N 3.17Å; A274-I276 PolarHBondContact O-N 3.46Å; I276-G278 PolarHBondContact O-N 3.04Å; I276-M279 HydrophobicContact CD1-CB 4.15Å; I276-M279 WeakPolarHBondContact CD1-O 3.25Å; I276-M279 HydrophobicContact CG1-CB 4.28Å; I276-M279 WeakPolarHBondContact O-CB 3.49Å; I276-M279 VanDerWaalsContact O-CG 3.27Å; I276-M279 WeakPolarHBondContact O-CG 3.34Å; I276-M279 PolarHBondContact O-N 3.31Å; I276-H291 HydrophobicContact CG2-CB 4.41Å; I276-M315 HydrophobicContact CG2-SD 4.24Å |
| 277 | C | 96.5 | Very high | 94.3 | Very high | 31 Ų | 31 | 55.3 Ų | 55.3 | 21% | 0.209 | 32% | 0.32 | C | S | . | . | G | 310 helix | trans | 59.5 | 17.7 | 179.8 | -38.4 | 0 | 0 | 0 | 0 | 114.8 | C269 N275 R333 | C269-C277 WeakPolarHBondContact CA-SG 3.3Å; C269-C277 HydrophobicContact CB-CB 3.64Å; C269-C277 WeakPolarHBondContact CB-SG 3.38Å; C269-C277 WeakPolarHBondContact SG-CB 3.5Å; C269-C277 CovalentContact SG-SG 2.04Å; C269-C277 PolarHBondContact SG-SG 3.46Å; N275-C277 PolarHBondContact O-N 2.8Å; C277-R333 PolarHBondContact O-NH1 2.73Å |
| 278 | G | 97.1 | Very high | 94.2 | Very high | 33 Ų | 33 | 59.1 Ų | 59.1 | 34% | 0.34 | 34% | 0.341 | S | S | . | . | G | 310 helix | trans | 79.2 | 15.3 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | N275 I276 | N275-G278 PolarHBondContact O-N 3.18Å; I276-G278 PolarHBondContact O-N 3.04Å |
| 279 | M | 97.8 | Very high | 94.2 | Very high | 9 Ų | 9 | 57.5 Ų | 57.5 | 4% | 0.044 | 33% | 0.333 | C | S | . | . | trans | -66.1 | 153.2 | 169.5 | -60.2 | -167.7 | 84.8 | 0 | 0 | 110.6 | F271 I276 L330 E331 Y403 F405 I424 | F271-M279 HydrophobicContact CE1-SD 3.7Å; F271-M279 HydrophobicContact CZ-SD 3.97Å; I276-M279 HydrophobicContact CD1-CB 4.15Å; I276-M279 WeakPolarHBondContact CD1-O 3.25Å; I276-M279 HydrophobicContact CG1-CB 4.28Å; I276-M279 WeakPolarHBondContact O-CB 3.49Å; I276-M279 VanDerWaalsContact O-CG 3.27Å; I276-M279 WeakPolarHBondContact O-CG 3.34Å; I276-M279 PolarHBondContact O-N 3.31Å; M279-L330 HydrophobicContact CB-CD1 3.98Å; M279-L330 HydrophobicContact CB-CG 4.49Å; M279-L330 HydrophobicContact CE-CD2 4.06Å; M279-L330 HydrophobicContact CE-CG 3.85Å; M279-L330 HydrophobicContact SD-CD2 4.15Å; M279-L330 HydrophobicContact SD-CG 4.3Å; M279-E331 CarbonylContact C-O 3.51Å; M279-E331 WeakPolarHBondContact CA-O 3.32Å; M279-E331 WeakPolarHBondContact CB-O 3.46Å; M279-Y403 HydrophobicContact CE-CE2 3.78Å; M279-F405 HydrophobicContact CE-CD2 4.29Å; M279-F405 HydrophobicContact CE-CE2 4.32Å; M279-I424 HydrophobicContact CE-CD1 4.36Å; M279-I424 HydrophobicContact SD-CD1 4.08Å | ||
| 280 | I | 96.8 | Very high | 94.1 | Very high | 73 Ų | 73 | 60.9 Ų | 60.9 | 37% | 0.374 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 148.5 | -178 | 63.4 | 171.3 | 0 | 0 | 0 | 110.4 | E331 | I280-E331 HydrophobicContact CD1-CB 4.49Å; I280-E331 HydrophobicContact CG1-CB 3.81Å; I280-E331 HydrophobicContact CG1-CG 4.32Å; I280-E331 PolarHBondContact N-O 3.03Å; I280-E331 PolarHBondContact O-N 3.32Å |
| 281 | Q | 94.2 | Very high | 94 | Very high | 47 Ų | 47 | 62.7 Ų | 62.7 | 22% | 0.22 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 160.1 | 170.5 | -59.1 | -75 | -21.4 | 0 | 0 | 110.4 | W289 L329 | Q281-W289 PolarHBondContact NE2-O 3.46Å; Q281-L329 CarbonylContact C-O 3.44Å; Q281-L329 VanDerWaalsContact CA-O 3.3Å; Q281-L329 WeakPolarHBondContact CA-O 3.34Å; Q281-L329 PolarHBondContact OE1-O 2.88Å |
| 282 | G | 88.8 | Confident | 93.8 | Very high | 10 Ų | 10 | 64.5 Ų | 64.5 | 10% | 0.103 | 37% | 0.368 | C | S | . | . | trans | -60.8 | 162.1 | 162.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | D285 L329 | G282-D285 WeakPolarHBondContact CA-OD1 3.41Å; G282-L329 PolarHBondContact N-O 3.03Å | ||
| 283 | T | 87.7 | Confident | 93.5 | Very high | 136 Ų | 136 | 64.2 Ų | 64.2 | 83% | 0.834 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -122.1 | 0.8 | 175.1 | 64.2 | 0 | 0 | 0 | 0 | 112.7 | D285 | T283-D285 PolarHBondContact N-OD1 2.73Š|
| 284 | T | 88.1 | Confident | 93.2 | Very high | 128 Ų | 128 | 57.3 Ų | 57.3 | 79% | 0.785 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -134.6 | 2.2 | -171.6 | 60.2 | 0 | 0 | 0 | 0 | 112.4 | ||
| 285 | D | 91.3 | Very high | 92.5 | Very high | 33 Ų | 33 | 55.4 Ų | 55.4 | 18% | 0.176 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -82.1 | 168.4 | 173.2 | 48.3 | -31.8 | 0 | 0 | 0 | 111 | G282 T283 A328 L329 | G282-D285 WeakPolarHBondContact CA-OD1 3.41Å; T283-D285 PolarHBondContact N-OD1 2.73Å; D285-A328 WeakPolarHBondContact OD2-CA 2.97Å; D285-L329 HydrophobicContact CB-CD1 4.38Å; D285-L329 HydrophobicContact CB-CG 4.19Å; D285-L329 WeakPolarHBondContact OD2-CB 3.34Å; D285-L329 PolarHBondContact OD2-N 3.08Å |
| 286 | D | 94.3 | Very high | 91.4 | Very high | 112 Ų | 112 | 55.6 Ų | 55.6 | 60% | 0.599 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -83.2 | -26.2 | -167.9 | -51.3 | -64.4 | 0 | 0 | 0 | 112.4 | E326 A327 | D286-E326 HydrophobicContact CB-CB 3.9Å; D286-E326 HydrophobicContact CB-CG 3.82Å; D286-E326 WeakPolarHBondContact OD2-CA 3.28Å; D286-A327 PolarHBondContact N-O 3.49Å; D286-A327 VanDerWaalsContact N-O 3.15Å; D286-A327 PolarHBondContact OD2-N 3.04Å; D286-A327 VanDerWaalsContact OD2-N 3.14Å |
| 287 | T | 94.1 | Very high | 89.9 | Confident | 42 Ų | 42 | 59.6 Ų | 59.6 | 26% | 0.258 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -155.4 | 170.4 | -178.3 | -172 | 0 | 0 | 0 | 0 | 110.6 | L317 E326 A327 A328 | T287-L317 HydrophobicContact CG2-CD1 3.89Å; T287-E326 HydrophobicContact CG2-CB 4.42Å; T287-A327 PolarHBondContact N-O 3.39Å; T287-A328 HydrophobicContact CG2-CB 4.13Å; T287-A328 WeakPolarHBondContact O-CA 3.32Å; T287-A328 WeakPolarHBondContact O-CB 3.42Å |
| 288 | D | 94.7 | Very high | 88.4 | Confident | 87 Ų | 87 | 60.8 Ų | 60.8 | 47% | 0.465 | 38% | 0.376 | S | S | . | . | trans | -118 | 153.1 | -171.8 | -70.1 | -48.8 | 0 | 0 | 0 | 112.2 | ||||
| 289 | W | 96.4 | Very high | 87.4 | Confident | 7 Ų | 7 | 61.3 Ų | 61.3 | 3% | 0.027 | 37% | 0.37 | C | S | . | . | trans | -73.3 | 140.1 | 163.6 | -66.2 | 80.4 | 0 | 0 | 0 | 110.3 | Q281 M315 L317 A328 L330 L358 F405 I419 L421 | Q281-W289 PolarHBondContact NE2-O 3.46Å; W289-M315 HydrophobicContact CB-CE 3.52Å; W289-M315 HydrophobicContact CE3-CB 3.97Å; W289-L317 HydrophobicContact CD2-CB 4.06Å; W289-L317 HydrophobicContact CE3-CB 3.89Å; W289-L317 HydrophobicContact CH2-CB 4.25Å; W289-L317 HydrophobicContact CZ2-CB 4.42Å; W289-L317 HydrophobicContact CZ3-CB 3.99Å; W289-A328 HydrophobicContact CG-CB 4.31Å; W289-A328 PolarHBondContact NE1-O 3.09Å; W289-A328 VanDerWaalsContact NE1-O 3.09Å; W289-L330 HydrophobicContact CD2-CB 4.5Å; W289-L330 HydrophobicContact CG-CB 4.05Å; W289-L358 HydrophobicContact CH2-CD1 4.14Å; W289-L358 HydrophobicContact CZ2-CD1 4.1Å; W289-F405 HydrophobicContact CZ2-CB 4.38Å; W289-I419 HydrophobicContact CH2-CB 4.11Å; W289-I419 HydrophobicContact CH2-CG2 3.75Å; W289-I419 HydrophobicContact CZ3-CB 4.45Å; W289-I419 HydrophobicContact CZ3-CG2 4.34Å; W289-I419 WeakPolarHBondContact CZ3-O 3.33Å; W289-L421 HydrophobicContact CE3-CD1 4.25Å; W289-L421 HydrophobicContact CH2-CD1 3.37Å; W289-L421 HydrophobicContact CH2-CG 3.67Å; W289-L421 HydrophobicContact CZ2-CD1 3.78Å; W289-L421 HydrophobicContact CZ3-CB 4.4Å; W289-L421 HydrophobicContact CZ3-CD1 3.64Å; W289-L421 HydrophobicContact CZ3-CG 3.74Å | ||
| 290 | V | 95.1 | Very high | 86.8 | Confident | 73 Ų | 73 | 62.8 Ų | 62.8 | 44% | 0.442 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 129.7 | 179.2 | -176.6 | 0 | 0 | 0 | 0 | 109.5 | Q292 M315 Q316 | V290-Q292 PolarHBondContact O-N 3.42Å; V290-M315 WeakPolarHBondContact O-CA 3.11Å; V290-Q316 PolarHBondContact N-O 3.18Å; V290-Q316 PolarHBondContact O-N 3.38Å |
| 291 | H | 95.2 | Very high | 86.4 | Confident | 61 Ų | 61 | 59.3 Ų | 59.3 | 28% | 0.282 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 104 | 168.5 | -179.5 | -139.8 | 0 | 0 | 0 | 108.1 | F271 I276 Y313 M315 | F271-H291 PolarHBondContact O-NE2 2.91Å; I276-H291 HydrophobicContact CG2-CB 4.41Å; H291-Y313 AromaticContact CE1-CD1 3.52Å; H291-Y313 AromaticContact CE1-CG 3.92Å; H291-Y313 VanDerWaalsContact NE2-CB 3.28Å; H291-Y313 WeakPolarHBondContact NE2-CB 3.05Å; H291-Y313 AromaticContact NE2-CD1 3.36Å; H291-Y313 WeakPolarHBondContact NE2-CD1 3.39Å; H291-Y313 AromaticContact NE2-CG 3.47Å; H291-M315 HydrophobicContact CB-CE 4.4Å; H291-M315 HydrophobicContact CB-SD 3.82Å |
| 292 | Q | 91.6 | Very high | 86.3 | Confident | 37 Ų | 37 | 57.1 Ų | 57.1 | 17% | 0.173 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 142.2 | -169.4 | -175.3 | 57.1 | 48.6 | 0 | 0 | 110 | V290 Y313 F314 Q316 | V290-Q292 PolarHBondContact O-N 3.42Å; Q292-Y313 WeakPolarHBondContact O-CA 3.35Å; Q292-F314 HydrophobicContact CB-CD2 4.36Å; Q292-F314 HydrophobicContact CB-CE1 4.46Å; Q292-F314 HydrophobicContact CB-CE2 3.81Å; Q292-F314 HydrophobicContact CB-CZ 3.88Å; Q292-F314 HydrophobicContact CG-CE1 4.36Å; Q292-F314 HydrophobicContact CG-CE2 4Å; Q292-F314 HydrophobicContact CG-CZ 3.65Å; Q292-F314 PolarHBondContact N-O 3.44Å; Q292-F314 PolarHBondContact O-N 3.45Å; Q292-F314 VanDerWaalsContact O-N 3.07Å; Q292-Q316 HydrophobicContact CB-CB 4.34Å |
| 293 | D | 88.4 | Confident | 86.3 | Confident | 56 Ų | 56 | 57.4 Ų | 57.4 | 30% | 0.299 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 157 | 172.1 | 62.2 | 29 | 0 | 0 | 0 | 111.8 | A295 Y313 | D293-A295 PolarHBondContact O-N 3.33Å; D293-A295 WeakPolarHBondContact OD1-CB 3.21Å; D293-A295 PolarHBondContact OD1-N 3.27Å; D293-Y313 HydrophobicContact CB-CD1 4.08Å; D293-Y313 HydrophobicContact CB-CE1 3.74Å |
| 294 | S | 86.4 | Confident | 86.3 | Confident | 6 Ų | 6 | 53.7 Ų | 53.7 | 4% | 0.042 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | 30.8 | 175 | -59.6 | 0 | 0 | 0 | 0 | 113.8 | D301 A311 G312 | S294-D301 VanDerWaalsContact OG-CB 3.3Å; S294-D301 WeakPolarHBondContact OG-CB 3.47Å; S294-D301 VanDerWaalsContact OG-CG 3.23Å; S294-D301 PolarHBondContact OG-N 3.03Å; S294-D301 PolarHBondContact OG-OD1 2.79Å; S294-A311 WeakPolarHBondContact CB-O 3.48Å; S294-G312 PolarHBondContact N-O 2.78Å; S294-G312 VanDerWaalsContact N-O 3.1Å; S294-G312 PolarHBondContact OG-O 3.07Å |
| 295 | A | 76.4 | Confident | 86 | Confident | 55 Ų | 55 | 49.2 Ų | 49.2 | 46% | 0.455 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -23.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | D293 | D293-A295 PolarHBondContact O-N 3.33Å; D293-A295 WeakPolarHBondContact OD1-CB 3.21Å; D293-A295 PolarHBondContact OD1-N 3.27Å |
| 296 | Q | 72.6 | Confident | 84.9 | Confident | 107 Ų | 107 | 48.7 Ų | 48.7 | 50% | 0.5 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -89.6 | 135 | -177 | -60.4 | -168.2 | 35.1 | 0 | 0 | 111.9 | G298 E299 | Q296-G298 PolarHBondContact O-N 2.96Å; Q296-E299 HydrophobicContact CB-CB 4.28Å; Q296-E299 PolarHBondContact O-N 3.39Å |
| 297 | A | 64.3 | Low | 83.9 | Confident | 109 Ų | 109 | 51 Ų | 51 | 90% | 0.901 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | 122.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 298 | G | 66.1 | Low | 83 | Confident | 56 Ų | 56 | 52.5 Ų | 52.5 | 58% | 0.577 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94.3 | -11.5 | -179 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q296 K349 | Q296-G298 PolarHBondContact O-N 2.96Å; G298-K349 PolarHBondContact O-NZ 3.38Å |
| 299 | E | 75.4 | Confident | 81.8 | Confident | 44 Ų | 44 | 54.7 Ų | 54.7 | 21% | 0.206 | 33% | 0.334 | C | S | . | . | trans | -113.2 | 71.3 | 175.2 | -60.4 | -171.2 | 173.2 | 0 | 0 | 109 | Q296 F314 Q316 Y420 | Q296-E299 HydrophobicContact CB-CB 4.28Å; Q296-E299 PolarHBondContact O-N 3.39Å; E299-F314 HydrophobicContact CB-CZ 4.13Å; E299-F314 WeakPolarHBondContact O-CE1 3.34Å; E299-Q316 PolarHBondContact OE1-NE2 2.9Å; E299-Q316 PolarHBondContact OE2-NE2 3.27Å; E299-Y420 HydrophobicContact CG-CE1 4.4Å | ||
| 300 | V | 84.3 | Confident | 80.6 | Confident | 40 Ų | 40 | 56 Ų | 56 | 24% | 0.242 | 35% | 0.35 | C | S | . | . | trans | -103.4 | 137.9 | 179.1 | -61 | 0 | 0 | 0 | 0 | 110.3 | W388 | V300-W388 WeakPolarHBondContact O-CZ2 3.38Å; V300-W388 PolarHBondContact O-NE1 2.88Å | ||
| 301 | D | 88.9 | Confident | 79.9 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 34% | 0.343 | C | S | . | . | trans | -52.6 | 156.3 | 166.5 | 69.6 | -52.3 | 0 | 0 | 0 | 111.6 | S294 T303 L304 L305 G306 G312 F314 | S294-D301 VanDerWaalsContact OG-CB 3.3Å; S294-D301 WeakPolarHBondContact OG-CB 3.47Å; S294-D301 VanDerWaalsContact OG-CG 3.23Å; S294-D301 PolarHBondContact OG-N 3.03Å; S294-D301 PolarHBondContact OG-OD1 2.79Å; D301-T303 VanDerWaalsContact OD2-CB 3.27Å; D301-T303 WeakPolarHBondContact OD2-CB 3.31Å; D301-T303 PolarHBondContact OD2-N 2.83Å; D301-L304 WeakPolarHBondContact OD2-CB 3.48Å; D301-L304 PolarHBondContact OD2-N 2.81Å; D301-L305 VanDerWaalsContact O-CA 3.25Å; D301-L305 WeakPolarHBondContact O-CA 3.41Å; D301-L305 PolarHBondContact O-N 3.41Å; D301-G306 PolarHBondContact OD1-N 2.72Å; D301-G312 WeakPolarHBondContact OD2-CA 3.25Å; D301-F314 HydrophobicContact CB-CB 4.43Å; D301-F314 HydrophobicContact CB-CD1 3.8Å | ||
| 302 | H | 92.9 | Very high | 79.7 | Confident | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.005 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -33.7 | 172.1 | -174.3 | -98.6 | 0 | 0 | 0 | 110.8 | L304 F347 W388 D422 D423 K583 | H302-L304 PolarHBondContact O-N 2.86Å; H302-F347 HydrophobicContact CB-CB 4.27Å; H302-F347 AromaticContact CD2-CD1 3.7Å; H302-F347 AromaticContact CE1-CD1 3.45Å; H302-F347 VanDerWaalsContact CE1-CD1 3.45Å; H302-F347 WeakPolarHBondContact CE1-CD1 3.49Å; H302-F347 AromaticContact CE1-CD2 3.7Å; H302-F347 AromaticContact CE1-CE1 3.3Å; H302-F347 WeakPolarHBondContact CE1-CE1 3.37Å; H302-F347 AromaticContact CE1-CE2 3.55Å; H302-F347 AromaticContact CE1-CG 3.63Å; H302-F347 AromaticContact CE1-CZ 3.34Å; H302-F347 WeakPolarHBondContact CE1-CZ 3.25Å; H302-F347 AromaticContact CG-CD1 3.96Å; H302-F347 AromaticContact CG-CG 3.86Å; H302-F347 AromaticContact ND1-CD1 3.82Å; H302-F347 AromaticContact ND1-CD2 3.66Å; H302-F347 AromaticContact ND1-CE2 3.94Å; H302-F347 AromaticContact ND1-CG 3.58Å; H302-F347 AromaticContact NE2-CD1 3.38Å; H302-F347 WeakPolarHBondContact NE2-CD1 3.33Å; H302-F347 AromaticContact NE2-CE1 3.29Å; H302-F347 VanDerWaalsContact NE2-CE1 3.29Å; H302-F347 WeakPolarHBondContact NE2-CE1 3.25Å; H302-F347 AromaticContact NE2-CG 3.97Å; H302-F347 AromaticContact NE2-CZ 3.82Å; H302-W388 HydrophobicContact CB-CD2 3.94Å; H302-W388 HydrophobicContact CB-CE3 4.19Å; H302-W388 HydrophobicContact CB-CG 4.4Å; H302-W388 HydrophobicContact CB-CH2 4.38Å; H302-W388 HydrophobicContact CB-CZ2 4.15Å; H302-W388 HydrophobicContact CB-CZ3 4.39Å; H302-W388 AromaticContact CD2-CG 3.86Å; H302-D422 WeakPolarHBondContact CA-OD2 3.36Å; H302-D422 HydrophobicContact CB-CB 3.97Å; H302-D422 PolarHBondContact N-OD2 3.22Å; H302-D423 IonicContact CE1-OD2 2.83Å; H302-D423 IonicContact CG-OD2 3.75Å; H302-D423 IonicContact ND1-OD2 3.46Å; H302-D423 PolarHBondContact ND1-OD2 2.96Å; H302-K583 WeakPolarHBondContact O-CE 3.48Å; H302-K583 PolarHBondContact O-NZ 3.13Å |
| 303 | T | 88.8 | Confident | 79.8 | Confident | 15 Ų | 15 | 53.1 Ų | 53.1 | 9% | 0.092 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.9 | -56.6 | -175.6 | -58.8 | 0 | 0 | 0 | 0 | 112.4 | E272 D301 D422 D423 P515 K583 | E272-T303 HydrophobicContact CG-CG2 4.3Å; D301-T303 VanDerWaalsContact OD2-CB 3.27Å; D301-T303 WeakPolarHBondContact OD2-CB 3.31Å; D301-T303 PolarHBondContact OD2-N 2.83Å; T303-D422 PolarHBondContact N-OD2 2.96Å; T303-D422 PolarHBondContact OG1-OD1 2.97Å; T303-D422 PolarHBondContact OG1-OD2 2.93Å; T303-D422 VanDerWaalsContact OG1-OD2 3.13Å; T303-D423 PolarHBondContact OG1-OD1 3.18Å; T303-P515 HydrophobicContact CG2-CB 4.02Å; T303-P515 HydrophobicContact CG2-CG 3.62Å; T303-K583 VanDerWaalsContact O-CE 3.32Å; T303-K583 WeakPolarHBondContact O-CE 3.33Å; T303-K583 PolarHBondContact O-NZ 3.09Å |
| 304 | L | 87.4 | Confident | 80.1 | Confident | 58 Ų | 58 | 50.4 Ų | 50.4 | 30% | 0.304 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.3 | -8.6 | -175.9 | -57.5 | -178.4 | 0 | 0 | 0 | 113.7 | D301 H302 G306 Q307 A311 | D301-L304 WeakPolarHBondContact OD2-CB 3.48Å; D301-L304 PolarHBondContact OD2-N 2.81Å; H302-L304 PolarHBondContact O-N 2.86Å; L304-G306 PolarHBondContact O-N 2.91Å; L304-G306 VanDerWaalsContact O-N 3.13Å; L304-Q307 VanDerWaalsContact O-CB 3.27Å; L304-Q307 WeakPolarHBondContact O-CB 3.4Å; L304-Q307 WeakPolarHBondContact O-CG 3.46Å; L304-Q307 PolarHBondContact O-N 3.12Å; L304-A311 HydrophobicContact CD1-CB 4.05Å |
| 305 | L | 82.2 | Confident | 80.6 | Confident | 34 Ų | 34 | 50.2 Ų | 50.2 | 18% | 0.178 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 52 | 32.6 | -177.5 | -63.4 | 175.2 | 0 | 0 | 0 | 113.8 | D301 Q307 K583 N584 | D301-L305 VanDerWaalsContact O-CA 3.25Å; D301-L305 WeakPolarHBondContact O-CA 3.41Å; D301-L305 PolarHBondContact O-N 3.41Å; L305-Q307 PolarHBondContact O-N 3.33Å; L305-Q307 VanDerWaalsContact O-N 3.14Å; L305-K583 HydrophobicContact CD1-CG 3.5Å; L305-K583 VanDerWaalsContact CD1-CG 3.5Å; L305-K583 HydrophobicContact CG-CG 4.25Å; L305-N584 HydrophobicContact CD1-CB 3.9Å; L305-N584 HydrophobicContact CD2-CB 4.02Å |
| 306 | G | 66.3 | Low | 81.5 | Confident | 22 Ų | 22 | 48.5 Ų | 48.5 | 23% | 0.227 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 62.2 | 18.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | D301 L304 C308 | D301-G306 PolarHBondContact OD1-N 2.72Å; L304-G306 PolarHBondContact O-N 2.91Å; L304-G306 VanDerWaalsContact O-N 3.13Å; G306-C308 PolarHBondContact O-N 2.48Å; G306-C308 VanDerWaalsContact O-N 3.13Å |
| 307 | Q | 73.4 | Confident | 82.6 | Confident | 162 Ų | 162 | 43.5 Ų | 43.5 | 76% | 0.757 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -55 | -28.2 | 172.3 | -74.3 | 177 | 11.6 | 0 | 0 | 111.9 | L304 L305 | L304-Q307 VanDerWaalsContact O-CB 3.27Å; L304-Q307 WeakPolarHBondContact O-CB 3.4Å; L304-Q307 WeakPolarHBondContact O-CG 3.46Å; L304-Q307 PolarHBondContact O-N 3.12Å; L305-Q307 PolarHBondContact O-N 3.33Å; L305-Q307 VanDerWaalsContact O-N 3.14Å |
| 308 | C | 75.1 | Confident | 84.1 | Confident | 72 Ų | 72 | 40.6 Ų | 40.6 | 49% | 0.486 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -120.2 | 108.9 | 175.1 | -71.3 | 0 | 0 | 0 | 0 | 109.2 | G306 G310 A311 | G306-C308 PolarHBondContact O-N 2.48Å; G306-C308 VanDerWaalsContact O-N 3.13Å; C308-G310 PolarHBondContact O-N 3.27Å; C308-A311 HydrophobicContact CB-CB 3.63Å; C308-A311 PolarHBondContact O-N 3.16Å |
| 309 | T | 70.4 | Confident | 85.4 | Confident | 133 Ų | 133 | 37.9 Ų | 37.9 | 82% | 0.816 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | 125.3 | -178.9 | -50.1 | 0 | 0 | 0 | 0 | 111.6 | A311 | T309-A311 PolarHBondContact O-N 3.24Š|
| 310 | G | 70.8 | Confident | 86.3 | Confident | 36 Ų | 36 | 38.4 Ų | 38.4 | 37% | 0.371 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.6 | 11.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | C308 | C308-G310 PolarHBondContact O-N 3.27Š|
| 311 | A | 80.6 | Confident | 86.6 | Confident | 35 Ų | 35 | 39.9 Ų | 39.9 | 29% | 0.289 | 24% | 0.244 | S | C | . | . | trans | -111.5 | 151.8 | 163.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | S294 L304 C308 T309 | S294-A311 WeakPolarHBondContact CB-O 3.48Å; L304-A311 HydrophobicContact CD1-CB 4.05Å; C308-A311 HydrophobicContact CB-CB 3.63Å; C308-A311 PolarHBondContact O-N 3.16Å; T309-A311 PolarHBondContact O-N 3.24Å | ||
| 312 | G | 90.4 | Very high | 86.7 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 27% | 0.266 | C | S | . | . | trans | 95.1 | 137.6 | -171.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | E272 S294 D301 | E272-G312 WeakPolarHBondContact OE1-CA 3.2Å; E272-G312 WeakPolarHBondContact OE2-CA 3.41Å; S294-G312 PolarHBondContact N-O 2.78Å; S294-G312 VanDerWaalsContact N-O 3.1Å; S294-G312 PolarHBondContact OG-O 3.07Å; D301-G312 WeakPolarHBondContact OD2-CA 3.25Å | ||
| 313 | Y | 93.7 | Very high | 86.8 | Confident | 74 Ų | 74 | 45.3 Ų | 45.3 | 29% | 0.29 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 150.6 | -178.1 | -69.3 | -89.8 | 0 | 0 | 0 | 111.5 | F271 E272 H291 Q292 D293 | F271-Y313 VanDerWaalsContact O-CB 3.29Å; F271-Y313 WeakPolarHBondContact O-CB 3.39Å; E272-Y313 PolarHBondContact OE1-N 2.89Å; H291-Y313 AromaticContact CE1-CD1 3.52Å; H291-Y313 AromaticContact CE1-CG 3.92Å; H291-Y313 VanDerWaalsContact NE2-CB 3.28Å; H291-Y313 WeakPolarHBondContact NE2-CB 3.05Å; H291-Y313 AromaticContact NE2-CD1 3.36Å; H291-Y313 WeakPolarHBondContact NE2-CD1 3.39Å; H291-Y313 AromaticContact NE2-CG 3.47Å; Q292-Y313 WeakPolarHBondContact O-CA 3.35Å; D293-Y313 HydrophobicContact CB-CD1 4.08Å; D293-Y313 HydrophobicContact CB-CE1 3.74Å |
| 314 | F | 95.1 | Very high | 87.1 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 171.3 | 176.2 | 56.5 | -86.4 | 0 | 0 | 0 | 110.2 | Q292 E299 D301 Q316 Y420 D422 | Q292-F314 HydrophobicContact CB-CD2 4.36Å; Q292-F314 HydrophobicContact CB-CE1 4.46Å; Q292-F314 HydrophobicContact CB-CE2 3.81Å; Q292-F314 HydrophobicContact CB-CZ 3.88Å; Q292-F314 HydrophobicContact CG-CE1 4.36Å; Q292-F314 HydrophobicContact CG-CE2 4Å; Q292-F314 HydrophobicContact CG-CZ 3.65Å; Q292-F314 PolarHBondContact N-O 3.44Å; Q292-F314 PolarHBondContact O-N 3.45Å; Q292-F314 VanDerWaalsContact O-N 3.07Å; E299-F314 HydrophobicContact CB-CZ 4.13Å; E299-F314 WeakPolarHBondContact O-CE1 3.34Å; D301-F314 HydrophobicContact CB-CB 4.43Å; D301-F314 HydrophobicContact CB-CD1 3.8Å; F314-Q316 HydrophobicContact CD2-CB 4.14Å; F314-Q316 HydrophobicContact CE2-CB 3.82Å; F314-Q316 HydrophobicContact CE2-CG 4.23Å; F314-Y420 AromaticContact CD2-CD1 3.68Å; F314-Y420 HydrophobicContact CD2-CD1 3.68Å; F314-Y420 HydrophobicContact CD2-CE1 4.45Å; F314-Y420 AromaticContact CE2-CD1 3.34Å; F314-Y420 HydrophobicContact CE2-CD1 3.34Å; F314-Y420 AromaticContact CE2-CE1 3.67Å; F314-Y420 HydrophobicContact CE2-CE1 3.67Å; F314-Y420 HydrophobicContact CZ-CD1 4.2Å; F314-Y420 HydrophobicContact CZ-CE1 4.28Å; F314-D422 HydrophobicContact CB-CB 4.24Å |
| 315 | M | 97.2 | Very high | 87.4 | Confident | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.005 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 128.1 | 171.3 | -62.2 | -61.3 | -55.3 | 0 | 0 | 110 | F271 I276 W289 V290 H291 L330 Y420 L421 | F271-M315 HydrophobicContact CD1-CG 3.58Å; F271-M315 HydrophobicContact CD1-SD 3.98Å; F271-M315 HydrophobicContact CD2-CG 4.03Å; F271-M315 HydrophobicContact CE1-CG 3.31Å; F271-M315 HydrophobicContact CE1-SD 4.1Å; F271-M315 HydrophobicContact CE2-CB 4.4Å; F271-M315 HydrophobicContact CE2-CG 3.77Å; F271-M315 HydrophobicContact CG-CG 3.91Å; F271-M315 HydrophobicContact CG-SD 4.5Å; F271-M315 HydrophobicContact CZ-CB 4.28Å; F271-M315 HydrophobicContact CZ-CG 3.38Å; I276-M315 HydrophobicContact CG2-SD 4.24Å; W289-M315 HydrophobicContact CB-CE 3.52Å; W289-M315 HydrophobicContact CE3-CB 3.97Å; V290-M315 WeakPolarHBondContact O-CA 3.11Å; H291-M315 HydrophobicContact CB-CE 4.4Å; H291-M315 HydrophobicContact CB-SD 3.82Å; M315-L330 HydrophobicContact CB-CD2 4.12Å; M315-L330 HydrophobicContact CE-CD1 4.23Å; M315-L330 HydrophobicContact CE-CD2 4.33Å; M315-L330 HydrophobicContact CG-CD2 3.77Å; M315-Y420 CarbonylContact O-C 3.55Å; M315-Y420 WeakPolarHBondContact O-CA 3.31Å; M315-L421 HydrophobicContact CB-CB 4.36Å; M315-L421 PolarHBondContact N-O 2.74Å; M315-L421 PolarHBondContact O-N 3.3Å |
| 316 | Q | 95.7 | Very high | 88.1 | Confident | 20 Ų | 20 | 49.9 Ų | 49.9 | 9% | 0.093 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 134.6 | -178.5 | -166.4 | -173.5 | 24.8 | 0 | 0 | 111.2 | V290 Q292 E299 F314 I419 Y420 | V290-Q316 PolarHBondContact N-O 3.18Å; V290-Q316 PolarHBondContact O-N 3.38Å; Q292-Q316 HydrophobicContact CB-CB 4.34Å; E299-Q316 PolarHBondContact OE1-NE2 2.9Å; E299-Q316 PolarHBondContact OE2-NE2 3.27Å; F314-Q316 HydrophobicContact CD2-CB 4.14Å; F314-Q316 HydrophobicContact CE2-CB 3.82Å; F314-Q316 HydrophobicContact CE2-CG 4.23Å; Q316-I419 CarbonylContact C-O 3.56Å; Q316-I419 WeakPolarHBondContact CA-O 2.97Å; Q316-Y420 HydrophobicContact CB-CD1 4.45Å; Q316-Y420 HydrophobicContact CG-CD1 3.95Å; Q316-Y420 HydrophobicContact CG-CE1 3.63Å; Q316-Y420 VanDerWaalsContact NE2-CE1 3.3Å; Q316-Y420 PolarHBondContact NE2-OH 2.81Å |
| 317 | L | 95.9 | Very high | 89.6 | Confident | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.005 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 111.9 | 162.2 | 173.8 | 62.7 | 0 | 0 | 0 | 108.4 | T287 W289 T319 A328 G418 I419 | T287-L317 HydrophobicContact CG2-CD1 3.89Å; W289-L317 HydrophobicContact CD2-CB 4.06Å; W289-L317 HydrophobicContact CE3-CB 3.89Å; W289-L317 HydrophobicContact CH2-CB 4.25Å; W289-L317 HydrophobicContact CZ2-CB 4.42Å; W289-L317 HydrophobicContact CZ3-CB 3.99Å; L317-T319 HydrophobicContact CG-CG2 4.39Å; L317-T319 PolarHBondContact O-N 3.32Å; L317-A328 HydrophobicContact CD1-CB 3.69Å; L317-A328 HydrophobicContact CD2-CB 4.06Å; L317-A328 HydrophobicContact CG-CB 4.42Å; L317-G418 CarbonylContact O-C 3.46Å; L317-G418 WeakPolarHBondContact O-CA 3.3Å; L317-I419 HydrophobicContact CB-CB 4.39Å; L317-I419 HydrophobicContact CD2-CD1 4.33Å; L317-I419 PolarHBondContact N-O 3.13Å; L317-I419 PolarHBondContact O-N 2.95Å |
| 318 | S | 95 | Very high | 90.7 | Very high | 48 Ų | 48 | 41.7 Ų | 41.7 | 34% | 0.336 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 127.5 | 172.4 | 176.9 | 0 | 0 | 0 | 0 | 110.4 | S320 K409 | S318-S320 PolarHBondContact OG-OG 2.75Å; S318-K409 VanDerWaalsContact O-CE 3.3Å; S318-K409 WeakPolarHBondContact O-CE 3.26Å |
| 319 | T | 94.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 26% | 0.26 | C | S | . | . | trans | -111.1 | 0.1 | 177.4 | 66.7 | 0 | 0 | 0 | 0 | 112.9 | L317 S321 D356 K409 P412 S415 G417 I419 | L317-T319 HydrophobicContact CG-CG2 4.39Å; L317-T319 PolarHBondContact O-N 3.32Å; T319-S321 VanDerWaalsContact C-N 3.27Å; T319-S321 PolarHBondContact O-N 2.99Å; T319-D356 VanDerWaalsContact CB-OD2 3.26Å; T319-D356 WeakPolarHBondContact CB-OD2 3.48Å; T319-D356 WeakPolarHBondContact CG2-OD2 3.36Å; T319-D356 PolarHBondContact OG1-OD2 3.34Å; T319-K409 HydrophobicContact CG2-CG 4.08Å; T319-P412 WeakPolarHBondContact O-CA 3.37Å; T319-S415 WeakPolarHBondContact O-CB 3.09Å; T319-S415 PolarHBondContact OG1-OG 2.91Å; T319-G417 PolarHBondContact N-O 3.33Å; T319-G417 PolarHBondContact OG1-O 3.06Å; T319-I419 HydrophobicContact CG2-CD1 4.41Å; T319-I419 HydrophobicContact CG2-CG1 4.04Å | ||
| 320 | S | 93 | Very high | 93.1 | Very high | 54 Ų | 54 | 33.4 Ų | 33.4 | 38% | 0.378 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -78.4 | -2.4 | 179.7 | 59.4 | 0 | 0 | 0 | 0 | 115 | S318 S415 G417 | S318-S320 PolarHBondContact OG-OG 2.75Å; S320-S415 WeakPolarHBondContact CA-O 3.05Å; S320-S415 WeakPolarHBondContact CB-O 3.19Å; S320-G417 PolarHBondContact N-O 2.83Å |
| 321 | S | 90.1 | Very high | 94.4 | Very high | 71 Ų | 71 | 32.1 Ų | 32.1 | 50% | 0.497 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -145.4 | 162.8 | 179.1 | 64 | 0 | 0 | 0 | 0 | 111.6 | T319 K409 | T319-S321 VanDerWaalsContact C-N 3.27Å; T319-S321 PolarHBondContact O-N 2.99Å; S321-K409 WeakPolarHBondContact O-CD 3.13Å; S321-K409 WeakPolarHBondContact O-CE 3.46Å; S321-K409 PolarHBondContact O-NZ 3.28Å |
| 322 | G | 91.3 | Very high | 95.2 | Very high | 44 Ų | 44 | 30.5 Ų | 30.5 | 45% | 0.454 | 19% | 0.191 | S | C | . | . | S | Bend | trans | 89.7 | -163.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 323 | S | 94.8 | Very high | 95.5 | Very high | 71 Ų | 71 | 34.9 Ų | 34.9 | 50% | 0.497 | 21% | 0.208 | S | C | . | . | trans | -100.8 | 151.4 | -175.9 | -41.2 | 0 | 0 | 0 | 0 | 111.7 | E326 | S323-E326 VanDerWaalsContact CB-OE1 3.25Å; S323-E326 WeakPolarHBondContact CB-OE1 3.29Å; S323-E326 PolarHBondContact N-OE1 2.76Å; S323-E326 PolarHBondContact N-OE2 2.76Å; S323-E326 WeakPolarHBondContact O-CB 3.41Å; S323-E326 WeakPolarHBondContact O-CG 3.36Å; S323-E326 PolarHBondContact O-N 2.7Å; S323-E326 PolarHBondContact OG-OE1 2.91Å | ||
| 324 | A | 95.1 | Very high | 95.7 | Very high | 57 Ų | 57 | 34 Ų | 34 | 47% | 0.471 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | 146.6 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | E326 G410 | A324-E326 PolarHBondContact O-N 2.92Å; A324-G410 WeakPolarHBondContact CB-O 3.39Å |
| 325 | E | 95.6 | Very high | 95.8 | Very high | 106 Ų | 106 | 34.2 Ų | 34.2 | 50% | 0.495 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69.9 | -0.4 | -177.8 | -56.9 | -68.5 | 134.5 | 0 | 0 | 116.1 | A327 R357 K409 | E325-A327 PolarHBondContact O-N 3.17Å; E325-R357 IonicContact OE1-CZ 2.68Å; E325-R357 IonicContact OE1-NH1 3.76Å; E325-R357 PolarHBondContact OE1-NH1 2.85Å; E325-R357 IonicContact OE1-NH2 3.95Å; E325-R357 PolarHBondContact OE1-NH2 3.26Å; E325-R357 IonicContact OE2-CZ 3.15Å; E325-R357 IonicContact OE2-NH1 3.27Å; E325-R357 IonicContact OE2-NH2 3.5Å; E325-R357 PolarHBondContact OE2-NH2 2.04Å; E325-K409 WeakPolarHBondContact CA-O 3.22Å; E325-K409 PolarHBondContact N-O 3.43Å |
| 326 | E | 96.6 | Very high | 95.7 | Very high | 40 Ų | 40 | 41.3 Ų | 41.3 | 19% | 0.187 | 24% | 0.236 | C | C | . | . | trans | -58.5 | 134.6 | 166.6 | -74.8 | 175.6 | -167.9 | 0 | 0 | 110.1 | D286 T287 S323 A324 T408 K409 | D286-E326 HydrophobicContact CB-CB 3.9Å; D286-E326 HydrophobicContact CB-CG 3.82Å; D286-E326 WeakPolarHBondContact OD2-CA 3.28Å; T287-E326 HydrophobicContact CG2-CB 4.42Å; S323-E326 VanDerWaalsContact CB-OE1 3.25Å; S323-E326 WeakPolarHBondContact CB-OE1 3.29Å; S323-E326 PolarHBondContact N-OE1 2.76Å; S323-E326 PolarHBondContact N-OE2 2.76Å; S323-E326 WeakPolarHBondContact O-CB 3.41Å; S323-E326 WeakPolarHBondContact O-CG 3.36Å; S323-E326 PolarHBondContact O-N 2.7Å; S323-E326 PolarHBondContact OG-OE1 2.91Å; A324-E326 PolarHBondContact O-N 2.92Å; E326-T408 WeakPolarHBondContact O-CA 3.47Å; E326-K409 HydrophobicContact CB-CD 4.07Å; E326-K409 HydrophobicContact CB-CG 4.42Å; E326-K409 PolarHBondContact O-N 2.81Å; E326-K409 IonicContact OE2-NZ 2.76Å; E326-K409 PolarHBondContact OE2-NZ 3.45Å | ||
| 327 | A | 96.7 | Very high | 95.7 | Very high | 12 Ų | 12 | 41.3 Ų | 41.3 | 10% | 0.099 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 150.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | D286 T287 E325 Q406 G407 | D286-A327 PolarHBondContact N-O 3.49Å; D286-A327 VanDerWaalsContact N-O 3.15Å; D286-A327 PolarHBondContact OD2-N 3.04Å; D286-A327 VanDerWaalsContact OD2-N 3.14Å; T287-A327 PolarHBondContact N-O 3.39Å; E325-A327 PolarHBondContact O-N 3.17Å; A327-Q406 HydrophobicContact CB-CG 4.12Å; A327-G407 VanDerWaalsContact CA-O 3.22Å; A327-G407 WeakPolarHBondContact CA-O 3.45Å |
| 328 | A | 97.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 137.3 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | D285 T287 W289 L317 Q406 G407 | D285-A328 WeakPolarHBondContact OD2-CA 2.97Å; T287-A328 HydrophobicContact CG2-CB 4.13Å; T287-A328 WeakPolarHBondContact O-CA 3.32Å; T287-A328 WeakPolarHBondContact O-CB 3.42Å; W289-A328 HydrophobicContact CG-CB 4.31Å; W289-A328 PolarHBondContact NE1-O 3.09Å; W289-A328 VanDerWaalsContact NE1-O 3.09Å; L317-A328 HydrophobicContact CD1-CB 3.69Å; L317-A328 HydrophobicContact CD2-CB 4.06Å; L317-A328 HydrophobicContact CG-CB 4.42Å; A328-Q406 CarbonylContact O-C 3.51Å; A328-Q406 VanDerWaalsContact O-CA 3.3Å; A328-Q406 WeakPolarHBondContact O-CA 3.41Å; A328-G407 PolarHBondContact N-O 2.93Å; A328-G407 PolarHBondContact O-N 3.22Å |
| 329 | L | 97.6 | Very high | 95.6 | Very high | 32 Ų | 32 | 50.1 Ų | 50.1 | 17% | 0.168 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 127.6 | -179 | -61.6 | 179.4 | 0 | 0 | 0 | 111.1 | Q281 G282 D285 F405 Q406 | Q281-L329 CarbonylContact C-O 3.44Å; Q281-L329 VanDerWaalsContact CA-O 3.3Å; Q281-L329 WeakPolarHBondContact CA-O 3.34Å; Q281-L329 PolarHBondContact OE1-O 2.88Å; G282-L329 PolarHBondContact N-O 3.03Å; D285-L329 HydrophobicContact CB-CD1 4.38Å; D285-L329 HydrophobicContact CB-CG 4.19Å; D285-L329 WeakPolarHBondContact OD2-CB 3.34Å; D285-L329 PolarHBondContact OD2-N 3.08Å; L329-F405 WeakPolarHBondContact CA-O 3.49Å; L329-Q406 HydrophobicContact CD2-CB 3.52Å; L329-Q406 HydrophobicContact CD2-CG 3.73Å |
| 330 | L | 98.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 122.8 | 168.4 | -178.5 | 67.8 | 0 | 0 | 0 | 109 | F271 M279 W289 M315 L404 F405 L421 | F271-L330 HydrophobicContact CE1-CD2 4.39Å; F271-L330 HydrophobicContact CZ-CD2 4.24Å; M279-L330 HydrophobicContact CB-CD1 3.98Å; M279-L330 HydrophobicContact CB-CG 4.49Å; M279-L330 HydrophobicContact CE-CD2 4.06Å; M279-L330 HydrophobicContact CE-CG 3.85Å; M279-L330 HydrophobicContact SD-CD2 4.15Å; M279-L330 HydrophobicContact SD-CG 4.3Å; W289-L330 HydrophobicContact CD2-CB 4.5Å; W289-L330 HydrophobicContact CG-CB 4.05Å; M315-L330 HydrophobicContact CB-CD2 4.12Å; M315-L330 HydrophobicContact CE-CD1 4.23Å; M315-L330 HydrophobicContact CE-CD2 4.33Å; M315-L330 HydrophobicContact CG-CD2 3.77Å; L330-L404 CarbonylContact O-C 3.54Å; L330-L404 VanDerWaalsContact O-CA 3.31Å; L330-L404 WeakPolarHBondContact O-CA 3.32Å; L330-F405 PolarHBondContact N-O 3.37Å; L330-F405 PolarHBondContact O-N 2.84Å; L330-L421 HydrophobicContact CD2-CD1 4.48Å |
| 331 | E | 97.4 | Very high | 95.7 | Very high | 9 Ų | 9 | 57.9 Ų | 57.9 | 4% | 0.042 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 138 | -174.5 | -42.1 | -165.7 | -159.9 | 0 | 0 | 112.5 | M279 I280 R363 L404 | M279-E331 CarbonylContact C-O 3.51Å; M279-E331 WeakPolarHBondContact CA-O 3.32Å; M279-E331 WeakPolarHBondContact CB-O 3.46Å; I280-E331 HydrophobicContact CD1-CB 4.49Å; I280-E331 HydrophobicContact CG1-CB 3.81Å; I280-E331 HydrophobicContact CG1-CG 4.32Å; I280-E331 PolarHBondContact N-O 3.03Å; I280-E331 PolarHBondContact O-N 3.32Å; E331-R363 IonicContact OE1-CZ 3.86Å; E331-R363 IonicContact OE1-NH1 2.67Å; E331-R363 PolarHBondContact OE1-NH1 3.27Å; E331-R363 IonicContact OE1-NH2 2.87Å; E331-R363 PolarHBondContact OE1-NH2 2.94Å; E331-R363 IonicContact OE2-CZ 3.14Å; E331-R363 IonicContact OE2-NE 2.76Å; E331-R363 IonicContact OE2-NH1 2.67Å; E331-R363 PolarHBondContact OE2-NH1 3.31Å; E331-R363 IonicContact OE2-NH2 2.74Å; E331-R363 PolarHBondContact OE2-NH2 2.85Å; E331-L404 HydrophobicContact CB-CD2 4.36Å; E331-L404 HydrophobicContact CB-CG 3.99Å; E331-L404 HydrophobicContact CG-CB 4.26Å; E331-L404 HydrophobicContact CG-CD2 3.51Å; E331-L404 HydrophobicContact CG-CG 3.66Å; E331-L404 WeakPolarHBondContact OE2-CD2 3.33Å |
| 332 | S | 98.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 27% | 0.272 | C | S | . | . | P | Polyproline II helix | trans | -61.9 | 162.4 | 167.8 | 54.7 | 0 | 0 | 0 | 0 | 112.5 | R402 Y403 | S332-R402 WeakPolarHBondContact O-CD 3.33Å; S332-R402 WeakPolarHBondContact O-CG 3.22Å; S332-R402 PolarHBondContact O-NH1 2.91Å; S332-R402 WeakPolarHBondContact OG-CA 3.44Å; S332-Y403 VanDerWaalsContact CB-CE1 3.46Å; S332-Y403 PolarHBondContact N-O 2.8Å; S332-Y403 WeakPolarHBondContact OG-CD1 3.39Å; S332-Y403 PolarHBondContact OG-N 3.24Å; S332-Y403 PolarHBondContact OG-O 3.24Å |
| 333 | R | 96.9 | Very high | 96.4 | Very high | 92 Ų | 92 | 52.6 Ų | 52.6 | 35% | 0.347 | 25% | 0.252 | S | S | . | . | P | Polyproline II helix | trans | -61.4 | 173.3 | 163.5 | 69.3 | 174.7 | -179.4 | -74.5 | -11 | 110.8 | L266 D267 C277 L335 | L266-R333 PolarHBondContact O-NH2 2.9Å; D267-R333 VanDerWaalsContact CG-NH1 3.32Å; D267-R333 IonicContact OD1-CZ 2.7Å; D267-R333 IonicContact OD1-NH1 3.63Å; D267-R333 PolarHBondContact OD1-NH1 2.8Å; D267-R333 IonicContact OD1-NH2 3.13Å; D267-R333 PolarHBondContact OD1-NH2 3.26Å; D267-R333 IonicContact OD2-CZ 3.18Å; D267-R333 IonicContact OD2-NH1 3.49Å; D267-R333 PolarHBondContact OD2-NH1 2.83Å; D267-R333 IonicContact OD2-NH2 3.98Å; C277-R333 PolarHBondContact O-NH1 2.73Å; R333-L335 HydrophobicContact CG-CD2 4.15Å; R333-L335 PolarHBondContact O-N 3.27Å |
| 334 | I | 96.8 | Very high | 96.6 | Very high | 55 Ų | 55 | 49.2 Ų | 49.2 | 28% | 0.282 | 23% | 0.228 | S | C | . | . | P | Polyproline II helix | trans | -69.6 | 126.4 | 171.5 | -61.2 | 175.8 | 0 | 0 | 0 | 109.1 | Y336 V371 K400 R402 | I334-Y336 HydrophobicContact CB-CE2 4.48Å; I334-Y336 HydrophobicContact CG2-CE1 4.44Å; I334-Y336 HydrophobicContact CG2-CE2 3.9Å; I334-V371 HydrophobicContact CD1-CG2 4.46Å; I334-K400 HydrophobicContact CG2-CB 3.85Å; I334-K400 HydrophobicContact CG2-CD 4.19Å; I334-K400 HydrophobicContact CG2-CG 4.3Å; I334-R402 HydrophobicContact CG1-CG 4.34Å |
| 335 | L | 97 | Very high | 96.7 | Very high | 5 Ų | 5 | 47.3 Ų | 47.3 | 3% | 0.026 | 21% | 0.21 | C | C | . | . | B | Isolated β-bridge | trans | -110.8 | 151.9 | -179.5 | -62.2 | 163.2 | 0 | 0 | 0 | 109.9 | D267 R333 K400 F401 Y403 L426 | D267-L335 HydrophobicContact CB-CD1 4.42Å; D267-L335 HydrophobicContact CB-CD2 3.95Å; R333-L335 HydrophobicContact CG-CD2 4.15Å; R333-L335 PolarHBondContact O-N 3.27Å; L335-K400 CarbonylContact O-C 3.52Å; L335-K400 WeakPolarHBondContact O-CA 3.33Å; L335-K400 WeakPolarHBondContact O-CB 3.27Å; L335-F401 HydrophobicContact CB-CE1 4.3Å; L335-F401 HydrophobicContact CD1-CE2 4.49Å; L335-F401 HydrophobicContact CD1-CZ 4.5Å; L335-F401 PolarHBondContact N-O 2.81Å; L335-F401 PolarHBondContact O-N 3.2Å; L335-F401 VanDerWaalsContact O-N 3.08Å; L335-Y403 HydrophobicContact CD1-CD1 3.66Å; L335-Y403 HydrophobicContact CD1-CE1 3.63Å; L335-L426 HydrophobicContact CD1-CD2 3.55Å |
| 336 | Y | 95.5 | Very high | 96.8 | Very high | 150 Ų | 150 | 42.3 Ų | 42.3 | 59% | 0.588 | 19% | 0.186 | S | C | * | . | trans | -126.2 | 89.8 | -172.6 | -63 | -94.2 | 0 | 0 | 0 | 109.4 | L266 I334 K400 | L266-Y336 WeakPolarHBondContact CD2-O 3.34Å; I334-Y336 HydrophobicContact CB-CE2 4.48Å; I334-Y336 HydrophobicContact CG2-CE1 4.44Å; I334-Y336 HydrophobicContact CG2-CE2 3.9Å; Y336-K400 HydrophobicContact CD1-CB 3.85Å; Y336-K400 HydrophobicContact CE1-CB 3.9Å; Y336-K400 HydrophobicContact CE1-CD 4.05Å | ||
| 337 | P | 95.4 | Very high | 96.9 | Very high | 21 Ų | 21 | 40.6 Ų | 40.6 | 14% | 0.136 | 18% | 0.178 | C | C | . | . | trans | -67 | 144.5 | -179.1 | 28.4 | -33.4 | 0 | 0 | 0 | 111 | L266 E397 Q399 F401 E428 | L266-P337 HydrophobicContact CD1-CB 4.27Å; P337-E397 WeakPolarHBondContact CB-O 3.4Å; P337-E397 HydrophobicContact CG-CB 4.44Å; P337-E397 VanDerWaalsContact CG-O 3.32Å; P337-E397 WeakPolarHBondContact CG-O 3.37Å; P337-Q399 WeakPolarHBondContact CD-O 3.31Å; P337-Q399 VanDerWaalsContact CG-O 3.29Å; P337-Q399 WeakPolarHBondContact CG-O 3.31Å; P337-F401 HydrophobicContact CB-CE1 4.18Å; P337-F401 HydrophobicContact CG-CD1 3.99Å; P337-F401 HydrophobicContact CG-CE1 3.91Å; P337-E428 VanDerWaalsContact CA-OE1 3.22Å; P337-E428 WeakPolarHBondContact CA-OE1 3.34Å; P337-E428 VanDerWaalsContact CB-OE1 3.25Å; P337-E428 WeakPolarHBondContact CB-OE1 3.37Å | ||
| 338 | K | 93.4 | Very high | 96.9 | Very high | 140 Ų | 140 | 41 Ų | 41 | 61% | 0.609 | 18% | 0.178 | S | C | * | . | S | Bend | trans | -107.9 | -16.6 | 173 | -57.7 | 174.3 | -176.8 | 169.1 | 0 | 111.8 | E428 | K338-E428 WeakPolarHBondContact CB-OE2 3.5Å; K338-E428 VanDerWaalsContact N-CD 3.25Å; K338-E428 PolarHBondContact N-OE1 3.09Å; K338-E428 PolarHBondContact N-OE2 3.23Å |
| 339 | R | 94.6 | Very high | 96.7 | Very high | 93 Ų | 93 | 42.4 Ų | 42.4 | 35% | 0.351 | 18% | 0.184 | S | C | . | . | S | Bend | trans | -119 | 173.3 | 175.7 | -53.3 | 176.8 | 78.1 | 178.9 | 18.5 | 110 | E100 Q342 E428 | E100-R339 IonicContact OE1-CZ 2.73Å; E100-R339 IonicContact OE1-NH1 3.42Å; E100-R339 PolarHBondContact OE1-NH1 3.06Å; E100-R339 IonicContact OE1-NH2 3.53Å; E100-R339 PolarHBondContact OE1-NH2 2.84Å; E100-R339 IonicContact OE2-CZ 3.59Å; E100-R339 IonicContact OE2-NH1 3.99Å; E100-R339 PolarHBondContact OE2-NH1 2.85Å; E100-R339 IonicContact OE2-NH2 3.73Å; R339-Q342 PolarHBondContact O-NE2 2.91Å; R339-E428 HydrophobicContact CB-CB 4.07Å; R339-E428 WeakPolarHBondContact CD-O 3.43Å; R339-E428 HydrophobicContact CG-CB 4.15Å; R339-E428 PolarHBondContact N-OE1 3.24Å; R339-E428 PolarHBondContact NH1-O 2.82Å |
| 340 | K | 94.8 | Very high | 96.6 | Very high | 145 Ų | 145 | 41 Ų | 41 | 63% | 0.63 | 18% | 0.176 | S | C | * | . | S | Bend | trans | -91.1 | -7.5 | -171.3 | -58.8 | -175.2 | 174 | -174.4 | 0 | 114.4 | K396 E398 | K340-K396 VanDerWaalsContact O-CA 3.31Å; K340-K396 WeakPolarHBondContact O-CA 3.43Å; K340-E398 HydrophobicContact CB-CG 4.33Å; K340-E398 WeakPolarHBondContact CD-OE1 3.47Å; K340-E398 HydrophobicContact CG-CG 4.14Å |
| 341 | Q | 95.6 | Very high | 96.4 | Very high | 72 Ų | 72 | 42.2 Ų | 42.2 | 34% | 0.336 | 18% | 0.184 | S | C | . | . | trans | -141.8 | 139.9 | -174.9 | -178.3 | 172.3 | -4 | 0 | 0 | 109 | V394 L395 E428 | Q341-V394 HydrophobicContact CG-CG1 4.23Å; Q341-L395 WeakPolarHBondContact CA-O 3.29Å; Q341-E428 CarbonylContact O-C 3.56Å; Q341-E428 WeakPolarHBondContact O-CA 3.33Å | ||
| 342 | Q | 97.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 154 | 177 | -53.7 | 77.7 | 31.8 | 0 | 0 | 110.3 | L266 R339 L395 E397 L426 T427 E428 T429 | L266-Q342 HydrophobicContact CD1-CG 3.88Å; R339-Q342 PolarHBondContact O-NE2 2.91Å; Q342-L395 HydrophobicContact CB-CB 4.22Å; Q342-L395 PolarHBondContact N-O 3.37Å; Q342-L395 PolarHBondContact O-N 2.77Å; Q342-L395 PolarHBondContact OE1-O 2.88Å; Q342-E397 PolarHBondContact NE2-O 2.7Å; Q342-L426 HydrophobicContact CB-CD1 3.83Å; Q342-T427 CarbonylContact C-O 3.52Å; Q342-T427 WeakPolarHBondContact CA-O 3.15Å; Q342-T427 VanDerWaalsContact CB-O 3.29Å; Q342-T427 WeakPolarHBondContact CB-O 3.49Å; Q342-E428 HydrophobicContact CG-CG 4.12Å; Q342-E428 PolarHBondContact NE2-OE1 3.21Å; Q342-T429 CarbonylContact C-O 3.47Å |
| 343 | C | 98.2 | Very high | 96 | Very high | 4 Ų | 4 | 42.5 Ų | 42.5 | 3% | 0.027 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 113.9 | 168.9 | -169 | 0 | 0 | 0 | 0 | 109.5 | T427 T429 C431 | C343-T427 PolarHBondContact N-O 3.38Å; C343-T427 PolarHBondContact O-N 2.05Å; C343-T429 WeakPolarHBondContact CB-O 3.47Å; C343-T429 PolarHBondContact N-O 2.78Å; C343-C431 WeakPolarHBondContact CA-SG 3.46Å; C343-C431 HydrophobicContact CB-CB 4Å; C343-C431 WeakPolarHBondContact CB-SG 3.14Å; C343-C431 WeakPolarHBondContact SG-CA 3.46Å; C343-C431 WeakPolarHBondContact SG-CB 3.27Å; C343-C431 CovalentContact SG-SG 2.04Å; C343-C431 PolarHBondContact SG-SG 3.19Å |
| 344 | L | 98.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 108.9 | 169.3 | 177.4 | 64.9 | 0 | 0 | 0 | 108.2 | F346 V360 H392 V393 L395 Y403 F405 I424 L426 | L344-F346 HydrophobicContact CD2-CD1 4.36Å; L344-F346 HydrophobicContact CD2-CE1 4.28Å; L344-F346 HydrophobicContact CG-CD1 3.98Å; L344-F346 HydrophobicContact CG-CE1 4.27Å; L344-V360 HydrophobicContact CD2-CG1 3.88Å; L344-H392 CarbonylContact O-C 3.54Å; L344-H392 WeakPolarHBondContact O-CA 3.25Å; L344-V393 HydrophobicContact CB-CB 4.27Å; L344-V393 PolarHBondContact N-O 2.87Å; L344-V393 PolarHBondContact O-N 2.8Å; L344-L395 HydrophobicContact CB-CD1 4.15Å; L344-L395 HydrophobicContact CB-CG 4.36Å; L344-Y403 HydrophobicContact CD1-CD1 4.28Å; L344-Y403 HydrophobicContact CD1-CD2 4.23Å; L344-Y403 HydrophobicContact CD1-CE1 4.18Å; L344-Y403 HydrophobicContact CD1-CE2 4.16Å; L344-Y403 HydrophobicContact CD1-CG 4.29Å; L344-Y403 HydrophobicContact CD2-CD2 4.04Å; L344-Y403 HydrophobicContact CD2-CG 4.1Å; L344-F405 HydrophobicContact CD2-CE1 4.46Å; L344-F405 HydrophobicContact CD2-CZ 4.24Å; L344-I424 HydrophobicContact CD1-CG2 3.79Å; L344-L426 HydrophobicContact CB-CD1 3.85Å; L344-L426 HydrophobicContact CD1-CB 4.25Å; L344-L426 HydrophobicContact CD1-CD1 4.23Å |
| 345 | Q | 98.4 | Very high | 95.7 | Very high | 18 Ų | 18 | 41 Ų | 41 | 8% | 0.084 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 139.6 | 172.8 | -175.3 | -168.2 | -52.3 | 0 | 0 | 109.5 | I390 A391 H392 I424 T425 | Q345-I390 HydrophobicContact CG-CD1 3.89Å; Q345-I390 HydrophobicContact CG-CG1 3.94Å; Q345-A391 VanDerWaalsContact CA-O 3.27Å; Q345-A391 WeakPolarHBondContact CA-O 3.4Å; Q345-H392 PolarHBondContact OE1-NE2 2.8Å; Q345-I424 CarbonylContact O-C 3.56Å; Q345-I424 WeakPolarHBondContact O-CA 3.37Å; Q345-T425 PolarHBondContact N-O 3.15Å; Q345-T425 PolarHBondContact O-N 3.45Å |
| 346 | F | 98.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.2 | 157.9 | 170.9 | 55.3 | -83.7 | 0 | 0 | 0 | 110.4 | L344 Y348 L358 V360 F380 A391 V393 F405 L421 I424 | L344-F346 HydrophobicContact CD2-CD1 4.36Å; L344-F346 HydrophobicContact CD2-CE1 4.28Å; L344-F346 HydrophobicContact CG-CD1 3.98Å; L344-F346 HydrophobicContact CG-CE1 4.27Å; F346-Y348 HydrophobicContact CD2-CD1 4.39Å; F346-Y348 AromaticContact CE2-CD1 4Å; F346-Y348 HydrophobicContact CE2-CD1 4Å; F346-Y348 HydrophobicContact CE2-CG 4.26Å; F346-L358 HydrophobicContact CE2-CD2 3.8Å; F346-L358 HydrophobicContact CZ-CD2 4.42Å; F346-V360 HydrophobicContact CE1-CG2 4.09Å; F346-V360 HydrophobicContact CZ-CG2 3.92Å; F346-F380 HydrophobicContact CZ-CD2 4.45Å; F346-F380 AromaticContact CZ-CE2 3.79Å; F346-F380 HydrophobicContact CZ-CE2 3.79Å; F346-F380 HydrophobicContact CZ-CZ 4.14Å; F346-A391 HydrophobicContact CD1-CB 4.28Å; F346-A391 HydrophobicContact CD2-CB 4.15Å; F346-A391 HydrophobicContact CE1-CB 3.79Å; F346-A391 HydrophobicContact CE2-CB 3.63Å; F346-A391 HydrophobicContact CG-CB 4.45Å; F346-A391 HydrophobicContact CZ-CB 3.44Å; F346-A391 VanDerWaalsContact CZ-CB 3.44Å; F346-A391 PolarHBondContact N-O 2.93Å; F346-A391 VanDerWaalsContact N-O 3.16Å; F346-A391 PolarHBondContact O-N 3.42Å; F346-V393 HydrophobicContact CE1-CG2 3.88Å; F346-V393 HydrophobicContact CZ-CG2 4.38Å; F346-F405 HydrophobicContact CB-CZ 4.41Å; F346-F405 AromaticContact CD1-CE1 3.75Å; F346-F405 HydrophobicContact CD1-CE1 3.75Å; F346-F405 AromaticContact CD1-CZ 3.84Å; F346-F405 HydrophobicContact CD1-CZ 3.84Å; F346-F405 AromaticContact CD2-CE1 4Å; F346-F405 HydrophobicContact CD2-CE1 4Å; F346-F405 HydrophobicContact CD2-CZ 4.36Å; F346-F405 AromaticContact CE1-CE1 3.63Å; F346-F405 HydrophobicContact CE1-CE1 3.63Å; F346-F405 HydrophobicContact CE1-CZ 4.17Å; F346-F405 AromaticContact CE2-CE1 3.89Å; F346-F405 HydrophobicContact CE2-CE1 3.89Å; F346-F405 AromaticContact CG-CE1 3.94Å; F346-F405 HydrophobicContact CG-CE1 3.94Å; F346-F405 AromaticContact CG-CZ 3.94Å; F346-F405 HydrophobicContact CG-CZ 3.94Å; F346-F405 AromaticContact CZ-CE1 3.7Å; F346-F405 HydrophobicContact CZ-CE1 3.7Å; F346-L421 HydrophobicContact CD2-CD2 3.88Å; F346-L421 HydrophobicContact CE2-CD2 4.12Å; F346-I424 HydrophobicContact CB-CB 4.3Å; F346-I424 HydrophobicContact CB-CG1 3.81Å; F346-I424 HydrophobicContact CB-CG2 4.45Å |
| 347 | F | 97.8 | Very high | 95.8 | Very high | 4 Ų | 4 | 36.3 Ų | 36.3 | 2% | 0.018 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 137.5 | 168.6 | -75.2 | -96.6 | 0 | 0 | 0 | 109.7 | H302 W388 K389 I390 D422 D423 I588 | H302-F347 HydrophobicContact CB-CB 4.27Å; H302-F347 AromaticContact CD2-CD1 3.7Å; H302-F347 AromaticContact CE1-CD1 3.45Å; H302-F347 VanDerWaalsContact CE1-CD1 3.45Å; H302-F347 WeakPolarHBondContact CE1-CD1 3.49Å; H302-F347 AromaticContact CE1-CD2 3.7Å; H302-F347 AromaticContact CE1-CE1 3.3Å; H302-F347 WeakPolarHBondContact CE1-CE1 3.37Å; H302-F347 AromaticContact CE1-CE2 3.55Å; H302-F347 AromaticContact CE1-CG 3.63Å; H302-F347 AromaticContact CE1-CZ 3.34Å; H302-F347 WeakPolarHBondContact CE1-CZ 3.25Å; H302-F347 AromaticContact CG-CD1 3.96Å; H302-F347 AromaticContact CG-CG 3.86Å; H302-F347 AromaticContact ND1-CD1 3.82Å; H302-F347 AromaticContact ND1-CD2 3.66Å; H302-F347 AromaticContact ND1-CE2 3.94Å; H302-F347 AromaticContact ND1-CG 3.58Å; H302-F347 AromaticContact NE2-CD1 3.38Å; H302-F347 WeakPolarHBondContact NE2-CD1 3.33Å; H302-F347 AromaticContact NE2-CE1 3.29Å; H302-F347 VanDerWaalsContact NE2-CE1 3.29Å; H302-F347 WeakPolarHBondContact NE2-CE1 3.25Å; H302-F347 AromaticContact NE2-CG 3.97Å; H302-F347 AromaticContact NE2-CZ 3.82Å; F347-W388 HydrophobicContact CB-CE3 3.9Å; F347-W388 HydrophobicContact CB-CZ3 4.21Å; F347-K389 CarbonylContact C-O 3.57Å; F347-K389 VanDerWaalsContact CA-O 3.28Å; F347-K389 WeakPolarHBondContact CA-O 3.48Å; F347-I390 HydrophobicContact CD1-CB 4.16Å; F347-I390 HydrophobicContact CE1-CB 3.82Å; F347-I390 HydrophobicContact CE1-CD1 4.44Å; F347-I390 HydrophobicContact CE1-CG1 4.35Å; F347-I390 HydrophobicContact CE2-CD1 4.01Å; F347-I390 HydrophobicContact CE2-CG1 4.24Å; F347-I390 HydrophobicContact CZ-CB 4.05Å; F347-I390 HydrophobicContact CZ-CD1 3.8Å; F347-I390 HydrophobicContact CZ-CG1 4.11Å; F347-D422 PolarHBondContact N-O 2.92Å; F347-D422 PolarHBondContact O-N 3.47Å; F347-D423 HydrophobicContact CB-CB 4.48Å; F347-D423 HydrophobicContact CD2-CB 3.68Å; F347-D423 HydrophobicContact CE2-CB 4.41Å; F347-D423 HydrophobicContact CG-CB 4.47Å; F347-I588 HydrophobicContact CE1-CD1 3.86Å; F347-I588 HydrophobicContact CZ-CD1 4.02Å |
| 348 | Y | 96.8 | Very high | 96 | Very high | 22 Ų | 22 | 35.3 Ų | 35.3 | 9% | 0.086 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 152.7 | 176 | 77.3 | -78.2 | 0 | 0 | 0 | 111.2 | F346 M350 L358 F380 W388 K389 A391 Y420 | F346-Y348 HydrophobicContact CD2-CD1 4.39Å; F346-Y348 AromaticContact CE2-CD1 4Å; F346-Y348 HydrophobicContact CE2-CD1 4Å; F346-Y348 HydrophobicContact CE2-CG 4.26Å; Y348-M350 HydrophobicContact CD2-CE 4.12Å; Y348-M350 HydrophobicContact CD2-CG 4.35Å; Y348-M350 HydrophobicContact CE2-CE 4.21Å; Y348-M350 HydrophobicContact CE2-SD 4.46Å; Y348-L358 HydrophobicContact CD2-CD2 4.24Å; Y348-L358 HydrophobicContact CG-CD2 4.17Å; Y348-F380 HydrophobicContact CE1-CD1 4.19Å; Y348-F380 HydrophobicContact CE2-CB 4.27Å; Y348-F380 AromaticContact CZ-CD1 3.95Å; Y348-W388 VanDerWaalsContact C-CE3 3.43Å; Y348-K389 HydrophobicContact CD1-CB 4.1Å; Y348-K389 WeakPolarHBondContact CD1-O 3.45Å; Y348-K389 HydrophobicContact CE1-CB 3.61Å; Y348-K389 HydrophobicContact CE2-CB 4.49Å; Y348-K389 PolarHBondContact N-O 3.32Å; Y348-K389 PolarHBondContact O-N 3.41Å; Y348-A391 HydrophobicContact CD1-CB 3.91Å; Y348-A391 HydrophobicContact CE1-CB 3.85Å; Y348-Y420 WeakPolarHBondContact CA-O 3.31Å; Y348-Y420 WeakPolarHBondContact CB-O 3.43Å |
| 349 | K | 93.8 | Very high | 96.2 | Very high | 29 Ų | 29 | 29 Ų | 29 | 13% | 0.126 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 145.6 | 175.6 | -179.7 | -171.8 | -176 | -171.7 | 0 | 108.4 | G298 T351 H386 W388 Y420 | G298-K349 PolarHBondContact O-NZ 3.38Å; K349-T351 HydrophobicContact CD-CG2 4.15Å; K349-T351 HydrophobicContact CG-CG2 4.1Å; K349-H386 WeakPolarHBondContact CE-O 3.13Å; K349-H386 VanDerWaalsContact CG-O 3.25Å; K349-H386 WeakPolarHBondContact CG-O 3.19Å; K349-W388 HydrophobicContact CB-CD2 3.81Å; K349-W388 HydrophobicContact CB-CE3 3.76Å; K349-W388 HydrophobicContact CB-CG 4.32Å; K349-W388 HydrophobicContact CB-CH2 4.49Å; K349-W388 HydrophobicContact CB-CZ3 4.12Å; K349-W388 HydrophobicContact CD-CD2 4.37Å; K349-W388 HydrophobicContact CD-CG 4.48Å; K349-Y420 HydrophobicContact CB-CD2 4.22Å; K349-Y420 HydrophobicContact CB-CG 4.37Å; K349-Y420 HydrophobicContact CD-CD2 4.47Å; K349-Y420 HydrophobicContact CG-CD2 4.36Å; K349-Y420 PolarHBondContact N-O 2.85Å; K349-Y420 VanDerWaalsContact N-O 3.09Å; K349-Y420 WeakPolarHBondContact O-CD2 3.35Å; K349-Y420 PolarHBondContact O-N 3.14Å |
| 350 | M | 94.8 | Very high | 96.4 | Very high | 3 Ų | 3 | 24.6 Ų | 24.6 | 2% | 0.015 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 115.1 | 175.5 | -68.2 | 179.4 | 179.3 | 0 | 0 | 109.1 | Y348 L358 F380 G382 H386 G418 I419 | Y348-M350 HydrophobicContact CD2-CE 4.12Å; Y348-M350 HydrophobicContact CD2-CG 4.35Å; Y348-M350 HydrophobicContact CE2-CE 4.21Å; Y348-M350 HydrophobicContact CE2-SD 4.46Å; M350-L358 HydrophobicContact CE-CB 3.19Å; M350-L358 HydrophobicContact CE-CD2 4.37Å; M350-L358 HydrophobicContact CE-CG 4.41Å; M350-F380 HydrophobicContact CE-CB 4.27Å; M350-G382 WeakPolarHBondContact SD-CA 3.24Å; M350-H386 PolarHBondContact O-ND1 2.82Å; M350-G418 CarbonylContact C-O 3.59Å; M350-G418 WeakPolarHBondContact CA-O 3.48Å; M350-I419 HydrophobicContact CE-CD1 4.45Å; M350-I419 HydrophobicContact CE-CG2 4.03Å; M350-I419 HydrophobicContact CG-CG1 4.31Å; M350-I419 HydrophobicContact CG-CG2 4.15Å |
| 351 | T | 93.9 | Very high | 96.5 | Very high | 25 Ų | 25 | 19.9 Ų | 19.9 | 15% | 0.153 | 10% | 0.104 | C | C | . | . | trans | -112.2 | 2 | 178.1 | 63.5 | 0 | 0 | 0 | 0 | 112.9 | K349 H386 G417 G418 Y420 | K349-T351 HydrophobicContact CD-CG2 4.15Å; K349-T351 HydrophobicContact CG-CG2 4.1Å; T351-H386 HydrophobicContact CG2-CB 4.21Å; T351-G417 VanDerWaalsContact OG1-CA 3.31Å; T351-G417 WeakPolarHBondContact OG1-CA 3.36Å; T351-G418 PolarHBondContact N-O 3.38Å; T351-G418 PolarHBondContact OG1-N 2.93Å; T351-G418 VanDerWaalsContact OG1-N 3.12Å; T351-Y420 HydrophobicContact CG2-CE2 4.09Å; T351-Y420 VanDerWaalsContact OG1-CE2 3.28Å; T351-Y420 WeakPolarHBondContact OG1-CE2 3.48Å; T351-Y420 PolarHBondContact OG1-OH 3.04Å | ||
| 352 | G | 93 | Very high | 96.6 | Very high | 8 Ų | 8 | 16.5 Ų | 16.5 | 8% | 0.082 | 9% | 0.088 | C | C | . | . | S | Bend | trans | -84.9 | -145.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | D356 S415 | G352-D356 WeakPolarHBondContact CA-OD2 3.4Å; G352-S415 WeakPolarHBondContact CA-OG 3.22Å |
| 353 | S | 93.8 | Very high | 96.6 | Very high | 6 Ų | 6 | 19.3 Ų | 19.3 | 4% | 0.042 | 10% | 0.098 | C | C | . | . | trans | -75.7 | 146.2 | 179.6 | 173.4 | 0 | 0 | 0 | 0 | 111 | S355 D356 S415 | S353-S355 PolarHBondContact O-N 2.87Å; S353-S355 WeakPolarHBondContact OG-CB 3.41Å; S353-S355 PolarHBondContact OG-N 3.36Å; S353-S355 VanDerWaalsContact OG-N 3.08Å; S353-D356 PolarHBondContact N-OD2 3.39Å; S353-D356 WeakPolarHBondContact O-CB 3.2Å; S353-D356 VanDerWaalsContact O-CG 3.31Å; S353-D356 PolarHBondContact O-N 2.82Å; S353-S415 PolarHBondContact N-OG 2.83Å | ||
| 354 | P | 93.9 | Very high | 96.4 | Very high | 59 Ų | 59 | 22.7 Ų | 22.7 | 38% | 0.383 | 11% | 0.111 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -17.1 | 167.2 | -25.8 | 35.4 | 0 | 0 | 0 | 113.7 | D356 Q381 D384 | P354-D356 VanDerWaalsContact C-N 3.34Å; P354-Q381 WeakPolarHBondContact O-CG 3.37Å; P354-Q381 PolarHBondContact O-NE2 3.48Å; P354-D384 WeakPolarHBondContact CG-OD1 3.46Å |
| 355 | S | 95.1 | Very high | 96 | Very high | 57 Ų | 57 | 23.6 Ų | 23.6 | 40% | 0.399 | 12% | 0.115 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -12.3 | 174.2 | -60.3 | 0 | 0 | 0 | 0 | 113.7 | S353 Q381 G410 | S353-S355 PolarHBondContact O-N 2.87Å; S353-S355 WeakPolarHBondContact OG-CB 3.41Å; S353-S355 PolarHBondContact OG-N 3.36Å; S353-S355 VanDerWaalsContact OG-N 3.08Å; S355-Q381 VanDerWaalsContact C-NE2 3.25Å; S355-Q381 PolarHBondContact O-NE2 3.47Å; S355-G410 WeakPolarHBondContact O-CA 3.44Å |
| 356 | D | 96.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.123 | C | C | . | . | trans | -65.2 | 149.3 | 176.8 | -65.1 | -17.8 | 0 | 0 | 0 | 110.7 | T319 G352 S353 P354 Q381 G382 G410 I419 | T319-D356 VanDerWaalsContact CB-OD2 3.26Å; T319-D356 WeakPolarHBondContact CB-OD2 3.48Å; T319-D356 WeakPolarHBondContact CG2-OD2 3.36Å; T319-D356 PolarHBondContact OG1-OD2 3.34Å; G352-D356 WeakPolarHBondContact CA-OD2 3.4Å; S353-D356 PolarHBondContact N-OD2 3.39Å; S353-D356 WeakPolarHBondContact O-CB 3.2Å; S353-D356 VanDerWaalsContact O-CG 3.31Å; S353-D356 PolarHBondContact O-N 2.82Å; P354-D356 VanDerWaalsContact C-N 3.34Å; D356-Q381 PolarHBondContact O-NE2 2.96Å; D356-Q381 VanDerWaalsContact O-NE2 3.16Å; D356-G382 PolarHBondContact O-N 3.3Å; D356-G410 PolarHBondContact OD1-N 2.87Å; D356-I419 HydrophobicContact CB-CD1 4.29Å; D356-I419 HydrophobicContact CB-CG1 4.46Å | ||
| 357 | R | 97.6 | Very high | 94.9 | Very high | 57 Ų | 57 | 29.9 Ų | 29.9 | 22% | 0.215 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 136.4 | -174.5 | -57.4 | -178.5 | -57.4 | -104.5 | 4.2 | 111.4 | E325 I359 T379 F380 G407 T408 I419 | E325-R357 IonicContact OE1-CZ 2.68Å; E325-R357 IonicContact OE1-NH1 3.76Å; E325-R357 PolarHBondContact OE1-NH1 2.85Å; E325-R357 IonicContact OE1-NH2 3.95Å; E325-R357 PolarHBondContact OE1-NH2 3.26Å; E325-R357 IonicContact OE2-CZ 3.15Å; E325-R357 IonicContact OE2-NH1 3.27Å; E325-R357 IonicContact OE2-NH2 3.5Å; E325-R357 PolarHBondContact OE2-NH2 2.04Å; R357-I359 HydrophobicContact CB-CG1 4.5Å; R357-T379 HydrophobicContact CB-CG2 4.36Å; R357-F380 WeakPolarHBondContact CA-O 3.49Å; R357-G407 CarbonylContact O-C 3.55Å; R357-G407 WeakPolarHBondContact O-CA 3.13Å; R357-T408 PolarHBondContact N-O 3.09Å; R357-T408 VanDerWaalsContact NH2-CG2 3.35Å; R357-T408 PolarHBondContact O-N 3.04Å; R357-I419 WeakPolarHBondContact O-CD1 3.46Å |
| 358 | L | 98.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 122.4 | 165.7 | 173.9 | 67.5 | 0 | 0 | 0 | 108.6 | W289 F346 Y348 M350 T379 F380 F405 Q406 I419 L421 | W289-L358 HydrophobicContact CH2-CD1 4.14Å; W289-L358 HydrophobicContact CZ2-CD1 4.1Å; F346-L358 HydrophobicContact CE2-CD2 3.8Å; F346-L358 HydrophobicContact CZ-CD2 4.42Å; Y348-L358 HydrophobicContact CD2-CD2 4.24Å; Y348-L358 HydrophobicContact CG-CD2 4.17Å; M350-L358 HydrophobicContact CE-CB 3.19Å; M350-L358 HydrophobicContact CE-CD2 4.37Å; M350-L358 HydrophobicContact CE-CG 4.41Å; L358-T379 CarbonylContact O-C 3.42Å; L358-T379 WeakPolarHBondContact O-CA 3.47Å; L358-F380 HydrophobicContact CB-CB 4.3Å; L358-F380 HydrophobicContact CD2-CD2 4.39Å; L358-F380 HydrophobicContact CG-CD2 4.45Å; L358-F380 PolarHBondContact N-O 3.49Å; L358-F380 PolarHBondContact O-N 3.17Å; L358-F405 HydrophobicContact CD1-CB 4.06Å; L358-F405 HydrophobicContact CD1-CD1 4.09Å; L358-Q406 CarbonylContact C-O 3.59Å; L358-Q406 WeakPolarHBondContact CA-O 3.45Å; L358-I419 HydrophobicContact CB-CG2 4.28Å; L358-I419 HydrophobicContact CD1-CG2 4.43Å; L358-L421 HydrophobicContact CD1-CD1 4.42Å; L358-L421 HydrophobicContact CD1-CD2 4.26Å; L358-L421 HydrophobicContact CD2-CD2 3.7Å |
| 359 | I | 98.4 | Very high | 93.8 | Very high | 7 Ų | 7 | 34.6 Ų | 34.6 | 4% | 0.036 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 127.3 | -176.5 | -53.4 | 163 | 0 | 0 | 0 | 108.9 | R357 W361 K376 Q378 T379 Q406 | R357-I359 HydrophobicContact CB-CG1 4.5Å; I359-W361 HydrophobicContact CG2-CD2 4.31Å; I359-W361 HydrophobicContact CG2-CG 4.38Å; I359-W361 HydrophobicContact CG2-CZ2 4.02Å; I359-K376 HydrophobicContact CG2-CD 4.1Å; I359-K376 VanDerWaalsContact CG2-CE 3.5Å; I359-K376 HydrophobicContact CG2-CG 3.79Å; I359-Q378 CarbonylContact C-O 3.41Å; I359-Q378 WeakPolarHBondContact CA-O 3.41Å; I359-Q378 WeakPolarHBondContact CG2-O 3.35Å; I359-T379 HydrophobicContact CG1-CG2 3.89Å; I359-Q406 HydrophobicContact CB-CB 4.19Å; I359-Q406 PolarHBondContact N-O 3.27Å; I359-Q406 PolarHBondContact O-N 3.04Å |
| 360 | V | 98.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 127.5 | 172 | 179 | 0 | 0 | 0 | 0 | 109.2 | L344 F346 V377 Q378 F380 V393 L404 F405 | L344-V360 HydrophobicContact CD2-CG1 3.88Å; F346-V360 HydrophobicContact CE1-CG2 4.09Å; F346-V360 HydrophobicContact CZ-CG2 3.92Å; V360-V377 HydrophobicContact CG1-CB 4.49Å; V360-V377 WeakPolarHBondContact O-CB 3.26Å; V360-V377 PolarHBondContact O-N 2.85Å; V360-Q378 PolarHBondContact N-O 3.04Å; V360-Q378 PolarHBondContact O-N 2.91Å; V360-F380 HydrophobicContact CG2-CE2 4.03Å; V360-V393 HydrophobicContact CG1-CG1 4.2Å; V360-V393 HydrophobicContact CG2-CG2 4.27Å; V360-L404 WeakPolarHBondContact CA-O 3.12Å; V360-F405 HydrophobicContact CG2-CD1 3.97Å; V360-F405 HydrophobicContact CG2-CE1 3.92Å |
| 361 | W | 98.1 | Very high | 93.5 | Very high | 47 Ų | 47 | 37.5 Ų | 37.5 | 18% | 0.178 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 158.6 | 175 | -57.7 | 83.6 | 0 | 0 | 0 | 110.9 | I359 L374 V375 K376 Y403 L404 | I359-W361 HydrophobicContact CG2-CD2 4.31Å; I359-W361 HydrophobicContact CG2-CG 4.38Å; I359-W361 HydrophobicContact CG2-CZ2 4.02Å; W361-L374 HydrophobicContact CB-CD1 3.94Å; W361-L374 HydrophobicContact CB-CG 4.37Å; W361-L374 HydrophobicContact CD2-CD2 4.1Å; W361-L374 HydrophobicContact CD2-CG 4.23Å; W361-L374 HydrophobicContact CE3-CD1 4.45Å; W361-L374 HydrophobicContact CE3-CD2 3.7Å; W361-L374 HydrophobicContact CE3-CG 3.64Å; W361-L374 HydrophobicContact CG-CD1 4.49Å; W361-L374 HydrophobicContact CZ3-CD2 4.04Å; W361-L374 HydrophobicContact CZ3-CG 4.26Å; W361-V375 WeakPolarHBondContact CA-O 3.2Å; W361-V375 VanDerWaalsContact CE3-C 3.43Å; W361-K376 HydrophobicContact CD2-CB 4.18Å; W361-K376 HydrophobicContact CD2-CG 4.25Å; W361-K376 HydrophobicContact CE3-CB 3.6Å; W361-K376 HydrophobicContact CE3-CG 4.15Å; W361-K376 HydrophobicContact CH2-CB 3.72Å; W361-K376 HydrophobicContact CH2-CD 3.89Å; W361-K376 HydrophobicContact CH2-CG 3.91Å; W361-K376 HydrophobicContact CZ2-CB 4.28Å; W361-K376 HydrophobicContact CZ2-CD 3.99Å; W361-K376 HydrophobicContact CZ2-CG 4Å; W361-K376 HydrophobicContact CZ3-CB 3.37Å; W361-K376 HydrophobicContact CZ3-CD 4.44Å; W361-K376 HydrophobicContact CZ3-CG 4.01Å; W361-Y403 CarbonylContact O-C 3.6Å; W361-Y403 WeakPolarHBondContact O-CA 3.3Å; W361-L404 HydrophobicContact CB-CB 4.2Å; W361-L404 HydrophobicContact CB-CD1 4.19Å; W361-L404 PolarHBondContact N-O 3.09Å; W361-L404 PolarHBondContact O-N 3.28Å |
| 362 | V | 97.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 131.5 | 164.5 | 175.3 | 0 | 0 | 0 | 0 | 109.4 | R364 L374 V375 V377 L395 E397 F401 R402 | V362-R364 HydrophobicContact CG1-CG 3.61Å; V362-L374 CarbonylContact O-C 3.6Å; V362-L374 WeakPolarHBondContact O-CA 3.33Å; V362-V375 PolarHBondContact N-O 2.04Å; V362-V375 PolarHBondContact O-N 2.81Å; V362-V377 HydrophobicContact CB-CG2 4.26Å; V362-V377 HydrophobicContact CG2-CG2 3.75Å; V362-L395 HydrophobicContact CG2-CD1 4.17Å; V362-L395 HydrophobicContact CG2-CD2 3.8Å; V362-L395 HydrophobicContact CG2-CG 4.49Å; V362-E397 HydrophobicContact CG1-CG 3.98Å; V362-F401 HydrophobicContact CG1-CB 4.14Å; V362-F401 HydrophobicContact CG1-CD2 3.84Å; V362-F401 HydrophobicContact CG1-CG 4.34Å; V362-R402 CarbonylContact C-O 3.54Å; V362-R402 WeakPolarHBondContact CA-O 3.3Å |
| 363 | R | 96.4 | Very high | 93.4 | Very high | 59 Ų | 59 | 50.1 Ų | 50.1 | 22% | 0.223 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 115 | 166.9 | -167.7 | -179.8 | -67.6 | 156.6 | -1 | 108.6 | E331 V371 K373 L374 F401 R402 L404 | E331-R363 IonicContact OE1-CZ 3.86Å; E331-R363 IonicContact OE1-NH1 2.67Å; E331-R363 PolarHBondContact OE1-NH1 3.27Å; E331-R363 IonicContact OE1-NH2 2.87Å; E331-R363 PolarHBondContact OE1-NH2 2.94Å; E331-R363 IonicContact OE2-CZ 3.14Å; E331-R363 IonicContact OE2-NE 2.76Å; E331-R363 IonicContact OE2-NH1 2.67Å; E331-R363 PolarHBondContact OE2-NH1 3.31Å; E331-R363 IonicContact OE2-NH2 2.74Å; E331-R363 PolarHBondContact OE2-NH2 2.85Å; R363-V371 HydrophobicContact CB-CG1 4.17Å; R363-V371 VanDerWaalsContact CD-O 3.31Å; R363-V371 WeakPolarHBondContact CD-O 3.26Å; R363-V371 HydrophobicContact CG-CG1 3.9Å; R363-V371 WeakPolarHBondContact O-CG1 3.2Å; R363-K373 CarbonylContact C-O 3.59Å; R363-K373 WeakPolarHBondContact CA-O 3.36Å; R363-L374 HydrophobicContact CB-CD1 3.98Å; R363-L374 HydrophobicContact CG-CD1 4.45Å; R363-F401 CarbonylContact O-C 3.42Å; R363-F401 VanDerWaalsContact O-CA 3.31Å; R363-F401 WeakPolarHBondContact O-CA 3.4Å; R363-F401 WeakPolarHBondContact O-CB 3.29Å; R363-R402 HydrophobicContact CB-CB 4.41Å; R363-R402 PolarHBondContact N-O 2.85Å; R363-R402 PolarHBondContact O-N 2.88Å; R363-L404 HydrophobicContact CB-CD1 3.76Å |
| 364 | R | 94.6 | Very high | 93.4 | Very high | 76 Ų | 76 | 53.7 Ų | 53.7 | 29% | 0.287 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 160.5 | -172.9 | -54.9 | -177 | 175.1 | 161.1 | -0.1 | 112.1 | V362 D366 V371 R372 K373 E397 | V362-R364 HydrophobicContact CG1-CG 3.61Å; R364-D366 PolarHBondContact O-N 2.71Å; R364-V371 CarbonylContact O-C 3.39Å; R364-V371 WeakPolarHBondContact O-CA 3.26Å; R364-R372 PolarHBondContact O-N 3.45Å; R364-K373 HydrophobicContact CB-CB 4.49Å; R364-K373 PolarHBondContact N-O 2.9Å; R364-K373 PolarHBondContact O-N 3Å; R364-K373 VanDerWaalsContact O-N 3.07Å; R364-E397 WeakPolarHBondContact CD-OE2 3.31Å; R364-E397 VanDerWaalsContact CG-OE2 3.25Å; R364-E397 WeakPolarHBondContact CG-OE2 3.09Å; R364-E397 IonicContact CZ-OE1 3.92Å; R364-E397 IonicContact CZ-OE2 3.54Å; R364-E397 IonicContact NE-OE1 3.16Å; R364-E397 PolarHBondContact NE-OE1 2.7Å; R364-E397 IonicContact NE-OE2 2.91Å; R364-E397 PolarHBondContact NE-OE2 2.85Å; R364-E397 IonicContact NH2-OE1 3.8Å; R364-E397 PolarHBondContact NH2-OE1 3.46Å |
| 365 | D | 91 | Very high | 93.5 | Very high | 18 Ų | 18 | 52.7 Ų | 52.7 | 10% | 0.096 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.7 | 131.7 | 163.2 | -157.9 | -64.2 | 0 | 0 | 0 | 110.5 | S367 T368 G369 N370 Q399 K400 | D365-S367 PolarHBondContact O-N 2.87Å; D365-S367 WeakPolarHBondContact OD1-CA 3.41Å; D365-S367 PolarHBondContact OD1-N 3.46Å; D365-T368 PolarHBondContact OD1-N 2.62Å; D365-G369 WeakPolarHBondContact OD1-CA 3.23Å; D365-G369 PolarHBondContact OD1-N 3.43Å; D365-G369 WeakPolarHBondContact OD2-CA 3.27Å; D365-N370 CarbonylContact C-O 3.59Å; D365-N370 WeakPolarHBondContact CA-O 3.2Å; D365-N370 PolarHBondContact OD2-N 2.91Å; D365-Q399 HydrophobicContact CB-CB 4.07Å; D365-K400 PolarHBondContact N-O 3.23Å; D365-K400 WeakPolarHBondContact OD2-CE 3.42Å |
| 366 | D | 87.4 | Confident | 93.6 | Very high | 44 Ų | 44 | 55.1 Ų | 55.1 | 24% | 0.235 | 27% | 0.274 | C | S | . | . | trans | -87.2 | 18.6 | -180 | 67.1 | 1.1 | 0 | 0 | 0 | 113.3 | R364 T368 N370 | R364-D366 PolarHBondContact O-N 2.71Å; D366-T368 PolarHBondContact O-N 3.37Å; D366-T368 WeakPolarHBondContact OD1-CA 3.37Å; D366-T368 VanDerWaalsContact OD1-CB 3.29Å; D366-T368 WeakPolarHBondContact OD1-CB 3.32Å; D366-T368 PolarHBondContact OD1-N 3.05Å; D366-T368 PolarHBondContact OD1-OG1 3.39Å; D366-T368 PolarHBondContact OD2-OG1 2.84Å; D366-N370 PolarHBondContact N-O 3.17Å | ||
| 367 | S | 86.6 | Confident | 93.7 | Very high | 107 Ų | 107 | 57.7 Ų | 57.7 | 75% | 0.748 | 29% | 0.289 | S | S | * | . | S | Bend | trans | 70 | 1.7 | -172.6 | 71.7 | 0 | 0 | 0 | 0 | 115.1 | D365 | D365-S367 PolarHBondContact O-N 2.87Å; D365-S367 WeakPolarHBondContact OD1-CA 3.41Å; D365-S367 PolarHBondContact OD1-N 3.46Å |
| 368 | T | 86.6 | Confident | 93.7 | Very high | 93 Ų | 93 | 58.3 Ų | 58.3 | 57% | 0.571 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -100 | 2.9 | 172.9 | 77.2 | 0 | 0 | 0 | 0 | 112.7 | D365 D366 N370 | D365-T368 PolarHBondContact OD1-N 2.62Å; D366-T368 PolarHBondContact O-N 3.37Å; D366-T368 WeakPolarHBondContact OD1-CA 3.37Å; D366-T368 VanDerWaalsContact OD1-CB 3.29Å; D366-T368 WeakPolarHBondContact OD1-CB 3.32Å; D366-T368 PolarHBondContact OD1-N 3.05Å; D366-T368 PolarHBondContact OD1-OG1 3.39Å; D366-T368 PolarHBondContact OD2-OG1 2.84Å; T368-N370 PolarHBondContact OG1-ND2 2.83Å |
| 369 | G | 83.3 | Confident | 93.6 | Very high | 32 Ų | 32 | 60.9 Ų | 60.9 | 33% | 0.33 | 31% | 0.31 | S | S | . | . | S | Bend | trans | 86.5 | 8.6 | -171.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | D365 K400 | D365-G369 WeakPolarHBondContact OD1-CA 3.23Å; D365-G369 PolarHBondContact OD1-N 3.43Å; D365-G369 WeakPolarHBondContact OD2-CA 3.27Å; G369-K400 WeakPolarHBondContact O-CE 3.49Å; G369-K400 PolarHBondContact O-NZ 3.01Å |
| 370 | N | 90.3 | Very high | 93.6 | Very high | 69 Ų | 69 | 61.7 Ų | 61.7 | 37% | 0.369 | 31% | 0.314 | S | S | . | . | trans | -114 | 129.1 | -177 | -67.3 | -61.9 | 0 | 0 | 0 | 111.3 | D365 D366 T368 R372 | D365-N370 CarbonylContact C-O 3.59Å; D365-N370 WeakPolarHBondContact CA-O 3.2Å; D365-N370 PolarHBondContact OD2-N 2.91Å; D366-N370 PolarHBondContact N-O 3.17Å; T368-N370 PolarHBondContact OG1-ND2 2.83Å; N370-R372 HydrophobicContact CB-CG 4.15Å; N370-R372 PolarHBondContact O-N 2.71Å; N370-R372 VanDerWaalsContact O-N 3.1Å | ||
| 371 | V | 92.7 | Very high | 93.5 | Very high | 24 Ų | 24 | 66.1 Ų | 66.1 | 15% | 0.145 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 89.6 | -179.1 | -175.2 | 0 | 0 | 0 | 0 | 109.9 | I334 R363 R364 K400 R402 | I334-V371 HydrophobicContact CD1-CG2 4.46Å; R363-V371 HydrophobicContact CB-CG1 4.17Å; R363-V371 VanDerWaalsContact CD-O 3.31Å; R363-V371 WeakPolarHBondContact CD-O 3.26Å; R363-V371 HydrophobicContact CG-CG1 3.9Å; R363-V371 WeakPolarHBondContact O-CG1 3.2Å; R364-V371 CarbonylContact O-C 3.39Å; R364-V371 WeakPolarHBondContact O-CA 3.26Å; V371-K400 HydrophobicContact CG2-CD 4.16Å; V371-K400 HydrophobicContact CG2-CG 3.83Å; V371-R402 HydrophobicContact CG1-CG 4.31Å |
| 372 | R | 91.3 | Very high | 93.1 | Very high | 172 Ų | 172 | 64.4 Ų | 64.4 | 65% | 0.649 | 33% | 0.331 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.4 | -27.6 | -171.3 | -68.1 | -179.5 | 178.2 | 174.2 | 0.8 | 115.1 | R364 N370 L374 | R364-R372 PolarHBondContact O-N 3.45Å; N370-R372 HydrophobicContact CB-CG 4.15Å; N370-R372 PolarHBondContact O-N 2.71Å; N370-R372 VanDerWaalsContact O-N 3.1Å; R372-L374 PolarHBondContact O-N 2.89Å |
| 373 | K | 93 | Very high | 92.7 | Very high | 125 Ų | 125 | 66.7 Ų | 66.7 | 54% | 0.543 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 109.2 | -172.8 | -177.1 | -179.8 | 179.2 | 179.8 | 0 | 110.4 | R363 R364 | R363-K373 CarbonylContact C-O 3.59Å; R363-K373 WeakPolarHBondContact CA-O 3.36Å; R364-K373 HydrophobicContact CB-CB 4.49Å; R364-K373 PolarHBondContact N-O 2.9Å; R364-K373 PolarHBondContact O-N 3Å; R364-K373 VanDerWaalsContact O-N 3.07Å |
| 374 | L | 94.1 | Very high | 92.3 | Very high | 82 Ų | 82 | 69.1 Ų | 69.1 | 43% | 0.429 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 135.8 | 179.8 | -160.8 | 71 | 0 | 0 | 0 | 111.5 | W361 V362 R363 R372 L404 | W361-L374 HydrophobicContact CB-CD1 3.94Å; W361-L374 HydrophobicContact CB-CG 4.37Å; W361-L374 HydrophobicContact CD2-CD2 4.1Å; W361-L374 HydrophobicContact CD2-CG 4.23Å; W361-L374 HydrophobicContact CE3-CD1 4.45Å; W361-L374 HydrophobicContact CE3-CD2 3.7Å; W361-L374 HydrophobicContact CE3-CG 3.64Å; W361-L374 HydrophobicContact CG-CD1 4.49Å; W361-L374 HydrophobicContact CZ3-CD2 4.04Å; W361-L374 HydrophobicContact CZ3-CG 4.26Å; V362-L374 CarbonylContact O-C 3.6Å; V362-L374 WeakPolarHBondContact O-CA 3.33Å; R363-L374 HydrophobicContact CB-CD1 3.98Å; R363-L374 HydrophobicContact CG-CD1 4.45Å; R372-L374 PolarHBondContact O-N 2.89Å; L374-L404 HydrophobicContact CD1-CD1 3.97Å; L374-L404 HydrophobicContact CD1-CD2 3.97Å |
| 375 | V | 96 | Very high | 91.9 | Very high | 37 Ų | 37 | 67.6 Ų | 67.6 | 22% | 0.224 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 125.7 | 179.2 | -178.5 | 0 | 0 | 0 | 0 | 109 | W361 V362 | W361-V375 WeakPolarHBondContact CA-O 3.2Å; W361-V375 VanDerWaalsContact CE3-C 3.43Å; V362-V375 PolarHBondContact N-O 2.04Å; V362-V375 PolarHBondContact O-N 2.81Å |
| 376 | K | 97.2 | Very high | 91.8 | Very high | 109 Ų | 109 | 70.2 Ų | 70.2 | 47% | 0.474 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 130 | 175.2 | -164.6 | 172.1 | 171.4 | 175 | 0 | 108.8 | I359 W361 T379 | I359-K376 HydrophobicContact CG2-CD 4.1Å; I359-K376 VanDerWaalsContact CG2-CE 3.5Å; I359-K376 HydrophobicContact CG2-CG 3.79Å; W361-K376 HydrophobicContact CD2-CB 4.18Å; W361-K376 HydrophobicContact CD2-CG 4.25Å; W361-K376 HydrophobicContact CE3-CB 3.6Å; W361-K376 HydrophobicContact CE3-CG 4.15Å; W361-K376 HydrophobicContact CH2-CB 3.72Å; W361-K376 HydrophobicContact CH2-CD 3.89Å; W361-K376 HydrophobicContact CH2-CG 3.91Å; W361-K376 HydrophobicContact CZ2-CB 4.28Å; W361-K376 HydrophobicContact CZ2-CD 3.99Å; W361-K376 HydrophobicContact CZ2-CG 4Å; W361-K376 HydrophobicContact CZ3-CB 3.37Å; W361-K376 HydrophobicContact CZ3-CD 4.44Å; W361-K376 HydrophobicContact CZ3-CG 4.01Å; K376-T379 WeakPolarHBondContact CE-OG1 3.23Å; K376-T379 PolarHBondContact NZ-OG1 3.21Å; K376-T379 VanDerWaalsContact NZ-OG1 3.12Å |
| 377 | V | 97.6 | Very high | 91.9 | Very high | 53 Ų | 53 | 70.8 Ų | 70.8 | 32% | 0.321 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | -57.9 | -178.4 | -176 | 0 | 0 | 0 | 0 | 111.1 | V360 V362 V393 L395 | V360-V377 HydrophobicContact CG1-CB 4.49Å; V360-V377 WeakPolarHBondContact O-CB 3.26Å; V360-V377 PolarHBondContact O-N 2.85Å; V362-V377 HydrophobicContact CB-CG2 4.26Å; V362-V377 HydrophobicContact CG2-CG2 3.75Å; V377-V393 HydrophobicContact CB-CG1 4.35Å; V377-V393 HydrophobicContact CG1-CG1 3.45Å; V377-V393 VanDerWaalsContact CG1-CG1 3.45Å; V377-L395 HydrophobicContact CG1-CD2 4.04Å; V377-L395 HydrophobicContact CG2-CD2 4.3Å |
| 378 | Q | 97.7 | Very high | 92.3 | Very high | 71 Ų | 71 | 66.2 Ų | 66.2 | 33% | 0.332 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 153.6 | -174.1 | -168.5 | 157.7 | -6 | 0 | 0 | 111.5 | I359 V360 F380 V393 | I359-Q378 CarbonylContact C-O 3.41Å; I359-Q378 WeakPolarHBondContact CA-O 3.41Å; I359-Q378 WeakPolarHBondContact CG2-O 3.35Å; V360-Q378 PolarHBondContact N-O 3.04Å; V360-Q378 PolarHBondContact O-N 2.91Å; Q378-F380 HydrophobicContact CB-CE2 4.24Å; Q378-F380 HydrophobicContact CG-CE1 4.45Å; Q378-F380 HydrophobicContact CG-CE2 3.85Å; Q378-F380 HydrophobicContact CG-CZ 3.82Å; Q378-V393 HydrophobicContact CB-CG1 4.18Å; Q378-V393 HydrophobicContact CB-CG2 4.46Å |
| 379 | T | 98 | Very high | 92.7 | Very high | 53 Ų | 53 | 63.4 Ų | 63.4 | 33% | 0.325 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 128.8 | 174.9 | -60.3 | 0 | 0 | 0 | 0 | 109.1 | R357 L358 I359 K376 | R357-T379 HydrophobicContact CB-CG2 4.36Å; L358-T379 CarbonylContact O-C 3.42Å; L358-T379 WeakPolarHBondContact O-CA 3.47Å; I359-T379 HydrophobicContact CG1-CG2 3.89Å; K376-T379 WeakPolarHBondContact CE-OG1 3.23Å; K376-T379 PolarHBondContact NZ-OG1 3.21Å; K376-T379 VanDerWaalsContact NZ-OG1 3.12Å |
| 380 | F | 97.4 | Very high | 93.4 | Very high | 24 Ų | 24 | 62.9 Ų | 62.9 | 11% | 0.105 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 134 | 172.5 | -56.1 | -90.7 | 0 | 0 | 0 | 107.8 | F346 Y348 M350 R357 L358 V360 Q378 A391 V393 | F346-F380 HydrophobicContact CZ-CD2 4.45Å; F346-F380 AromaticContact CZ-CE2 3.79Å; F346-F380 HydrophobicContact CZ-CE2 3.79Å; F346-F380 HydrophobicContact CZ-CZ 4.14Å; Y348-F380 HydrophobicContact CE1-CD1 4.19Å; Y348-F380 HydrophobicContact CE2-CB 4.27Å; Y348-F380 AromaticContact CZ-CD1 3.95Å; M350-F380 HydrophobicContact CE-CB 4.27Å; R357-F380 WeakPolarHBondContact CA-O 3.49Å; L358-F380 HydrophobicContact CB-CB 4.3Å; L358-F380 HydrophobicContact CD2-CD2 4.39Å; L358-F380 HydrophobicContact CG-CD2 4.45Å; L358-F380 PolarHBondContact N-O 3.49Å; L358-F380 PolarHBondContact O-N 3.17Å; V360-F380 HydrophobicContact CG2-CE2 4.03Å; Q378-F380 HydrophobicContact CB-CE2 4.24Å; Q378-F380 HydrophobicContact CG-CE1 4.45Å; Q378-F380 HydrophobicContact CG-CE2 3.85Å; Q378-F380 HydrophobicContact CG-CZ 3.82Å; F380-A391 HydrophobicContact CE1-CB 3.79Å; F380-A391 HydrophobicContact CE2-CB 4.46Å; F380-A391 HydrophobicContact CZ-CB 3.67Å; F380-V393 HydrophobicContact CE2-CG2 4.1Å; F380-V393 HydrophobicContact CZ-CG2 3.85Å |
| 381 | Q | 95.6 | Very high | 93.7 | Very high | 94 Ų | 94 | 59.8 Ų | 59.8 | 44% | 0.439 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 146.3 | -178.6 | -166.6 | 67.4 | 49.6 | 0 | 0 | 109 | P354 S355 D356 | P354-Q381 WeakPolarHBondContact O-CG 3.37Å; P354-Q381 PolarHBondContact O-NE2 3.48Å; S355-Q381 VanDerWaalsContact C-NE2 3.25Å; S355-Q381 PolarHBondContact O-NE2 3.47Å; D356-Q381 PolarHBondContact O-NE2 2.96Å; D356-Q381 VanDerWaalsContact O-NE2 3.16Å |
| 382 | G | 91.2 | Very high | 93.9 | Very high | 10 Ų | 10 | 60.1 Ų | 60.1 | 10% | 0.103 | 29% | 0.292 | C | S | . | . | trans | -58.9 | 149.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | M350 D356 | M350-G382 WeakPolarHBondContact SD-CA 3.24Å; D356-G382 PolarHBondContact O-N 3.3Å | ||
| 383 | D | 89.1 | Confident | 94.3 | Very high | 48 Ų | 48 | 51.9 Ų | 51.9 | 26% | 0.257 | 26% | 0.261 | S | S | . | . | trans | -143.2 | 174.2 | 176.5 | 61.4 | 49.7 | 0 | 0 | 0 | 110.8 | D385 H386 K389 | D383-D385 WeakPolarHBondContact OD1-CB 3.17Å; D383-D385 PolarHBondContact OD1-N 3.43Å; D383-D385 VanDerWaalsContact OD1-N 3.08Å; D383-H386 PolarHBondContact O-ND1 2.99Å; D383-K389 IonicContact OD1-NZ 2.97Å; D383-K389 PolarHBondContact OD1-NZ 2.79Å; D383-K389 WeakPolarHBondContact OD2-CE 3.31Å; D383-K389 IonicContact OD2-NZ 3.38Å; D383-K389 PolarHBondContact OD2-NZ 3.13Å | ||
| 384 | D | 88.2 | Confident | 94.5 | Very high | 110 Ų | 110 | 49.1 Ų | 49.1 | 59% | 0.588 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -89.1 | -2.8 | -176.8 | -57.6 | -37 | 0 | 0 | 0 | 113.4 | P354 H386 | P354-D384 WeakPolarHBondContact CG-OD1 3.46Å; D384-H386 VanDerWaalsContact C-N 3.31Å; D384-H386 PolarHBondContact O-CD2 2.92Å |
| 385 | D | 84.8 | Confident | 94.7 | Very high | 44 Ų | 44 | 45.3 Ų | 45.3 | 24% | 0.235 | 24% | 0.235 | C | C | . | . | trans | -73 | -27.8 | -176.2 | -179.9 | 26.4 | 0 | 0 | 0 | 110.9 | D383 N387 K389 Q439 | D383-D385 WeakPolarHBondContact OD1-CB 3.17Å; D383-D385 PolarHBondContact OD1-N 3.43Å; D383-D385 VanDerWaalsContact OD1-N 3.08Å; D385-N387 PolarHBondContact O-N 2.98Å; D385-N387 PolarHBondContact O-ND2 3.27Å; D385-N387 PolarHBondContact OD1-ND2 2.95Å; D385-K389 WeakPolarHBondContact OD2-CE 3.31Å; D385-K389 IonicContact OD2-NZ 2.86Å; D385-Q439 PolarHBondContact OD1-NE2 3.05Å; D385-Q439 PolarHBondContact OD2-NE2 2.63Å | ||
| 386 | H | 89.1 | Confident | 94.7 | Very high | 74 Ų | 74 | 50.5 Ų | 50.5 | 34% | 0.343 | 25% | 0.254 | S | S | . | . | trans | 53 | 6.2 | 174.8 | -60 | -34.3 | 0 | 0 | 0 | 116 | K349 M350 T351 D383 D384 | K349-H386 WeakPolarHBondContact CE-O 3.13Å; K349-H386 VanDerWaalsContact CG-O 3.25Å; K349-H386 WeakPolarHBondContact CG-O 3.19Å; M350-H386 PolarHBondContact O-ND1 2.82Å; T351-H386 HydrophobicContact CG2-CB 4.21Å; D383-H386 PolarHBondContact O-ND1 2.99Å; D384-H386 VanDerWaalsContact C-N 3.31Å; D384-H386 PolarHBondContact O-CD2 2.92Å | ||
| 387 | N | 91.3 | Very high | 94.6 | Very high | 55 Ų | 55 | 45.8 Ų | 45.8 | 29% | 0.294 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -87.8 | 161.1 | 179.6 | -72.9 | -43.8 | 0 | 0 | 0 | 111.7 | D385 | D385-N387 PolarHBondContact O-N 2.98Å; D385-N387 PolarHBondContact O-ND2 3.27Å; D385-N387 PolarHBondContact OD1-ND2 2.95Å |
| 388 | W | 93.8 | Very high | 94.4 | Very high | 11 Ų | 11 | 49.6 Ų | 49.6 | 4% | 0.042 | 25% | 0.248 | C | C | . | . | trans | -63.5 | 134.5 | 168.8 | -78.7 | 111.6 | 0 | 0 | 0 | 109.7 | V300 H302 F347 Y348 K349 D422 | V300-W388 WeakPolarHBondContact O-CZ2 3.38Å; V300-W388 PolarHBondContact O-NE1 2.88Å; H302-W388 HydrophobicContact CB-CD2 3.94Å; H302-W388 HydrophobicContact CB-CE3 4.19Å; H302-W388 HydrophobicContact CB-CG 4.4Å; H302-W388 HydrophobicContact CB-CH2 4.38Å; H302-W388 HydrophobicContact CB-CZ2 4.15Å; H302-W388 HydrophobicContact CB-CZ3 4.39Å; H302-W388 AromaticContact CD2-CG 3.86Å; F347-W388 HydrophobicContact CB-CE3 3.9Å; F347-W388 HydrophobicContact CB-CZ3 4.21Å; Y348-W388 VanDerWaalsContact C-CE3 3.43Å; K349-W388 HydrophobicContact CB-CD2 3.81Å; K349-W388 HydrophobicContact CB-CE3 3.76Å; K349-W388 HydrophobicContact CB-CG 4.32Å; K349-W388 HydrophobicContact CB-CH2 4.49Å; K349-W388 HydrophobicContact CB-CZ3 4.12Å; K349-W388 HydrophobicContact CD-CD2 4.37Å; K349-W388 HydrophobicContact CD-CG 4.48Å; W388-D422 HydrophobicContact CH2-CB 3.72Å; W388-D422 HydrophobicContact CZ2-CB 4.49Å; W388-D422 HydrophobicContact CZ3-CB 4.01Å | ||
| 389 | K | 95 | Very high | 94.2 | Very high | 35 Ų | 35 | 51.4 Ų | 51.4 | 15% | 0.152 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 143.9 | 179.6 | -58.5 | -169.6 | -177.7 | 86.4 | 0 | 109.3 | F347 Y348 D383 D385 | F347-K389 CarbonylContact C-O 3.57Å; F347-K389 VanDerWaalsContact CA-O 3.28Å; F347-K389 WeakPolarHBondContact CA-O 3.48Å; Y348-K389 HydrophobicContact CD1-CB 4.1Å; Y348-K389 WeakPolarHBondContact CD1-O 3.45Å; Y348-K389 HydrophobicContact CE1-CB 3.61Å; Y348-K389 HydrophobicContact CE2-CB 4.49Å; Y348-K389 PolarHBondContact N-O 3.32Å; Y348-K389 PolarHBondContact O-N 3.41Å; D383-K389 IonicContact OD1-NZ 2.97Å; D383-K389 PolarHBondContact OD1-NZ 2.79Å; D383-K389 WeakPolarHBondContact OD2-CE 3.31Å; D383-K389 IonicContact OD2-NZ 3.38Å; D383-K389 PolarHBondContact OD2-NZ 3.13Å; D385-K389 WeakPolarHBondContact OD2-CE 3.31Å; D385-K389 IonicContact OD2-NZ 2.86Å |
| 390 | I | 97.2 | Very high | 94 | Very high | 21 Ų | 21 | 51.9 Ų | 51.9 | 11% | 0.108 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 130.9 | 172.4 | -170.2 | 169.2 | 0 | 0 | 0 | 109.8 | Q345 F347 V435 L511 I588 F590 | Q345-I390 HydrophobicContact CG-CD1 3.89Å; Q345-I390 HydrophobicContact CG-CG1 3.94Å; F347-I390 HydrophobicContact CD1-CB 4.16Å; F347-I390 HydrophobicContact CE1-CB 3.82Å; F347-I390 HydrophobicContact CE1-CD1 4.44Å; F347-I390 HydrophobicContact CE1-CG1 4.35Å; F347-I390 HydrophobicContact CE2-CD1 4.01Å; F347-I390 HydrophobicContact CE2-CG1 4.24Å; F347-I390 HydrophobicContact CZ-CB 4.05Å; F347-I390 HydrophobicContact CZ-CD1 3.8Å; F347-I390 HydrophobicContact CZ-CG1 4.11Å; I390-V435 HydrophobicContact CG2-CG1 3.91Å; I390-L511 HydrophobicContact CD1-CD2 3.9Å; I390-I588 HydrophobicContact CB-CD1 4.32Å; I390-I588 HydrophobicContact CG2-CD1 4.02Å; I390-I588 HydrophobicContact CG2-CG2 4.21Å; I390-F590 HydrophobicContact CD1-CE1 4.28Å; I390-F590 HydrophobicContact CD1-CZ 3.88Å |
| 391 | A | 97.5 | Very high | 94 | Very high | 4 Ų | 4 | 50.8 Ų | 50.8 | 3% | 0.033 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 146.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | Q345 F346 Y348 F380 | Q345-A391 VanDerWaalsContact CA-O 3.27Å; Q345-A391 WeakPolarHBondContact CA-O 3.4Å; F346-A391 HydrophobicContact CD1-CB 4.28Å; F346-A391 HydrophobicContact CD2-CB 4.15Å; F346-A391 HydrophobicContact CE1-CB 3.79Å; F346-A391 HydrophobicContact CE2-CB 3.63Å; F346-A391 HydrophobicContact CG-CB 4.45Å; F346-A391 HydrophobicContact CZ-CB 3.44Å; F346-A391 VanDerWaalsContact CZ-CB 3.44Å; F346-A391 PolarHBondContact N-O 2.93Å; F346-A391 VanDerWaalsContact N-O 3.16Å; F346-A391 PolarHBondContact O-N 3.42Å; Y348-A391 HydrophobicContact CD1-CB 3.91Å; Y348-A391 HydrophobicContact CE1-CB 3.85Å; F380-A391 HydrophobicContact CE1-CB 3.79Å; F380-A391 HydrophobicContact CE2-CB 4.46Å; F380-A391 HydrophobicContact CZ-CB 3.67Å |
| 392 | H | 98 | Very high | 94.1 | Very high | 30 Ų | 30 | 48.5 Ų | 48.5 | 14% | 0.139 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 125.2 | 170.5 | -63.7 | 86.1 | 0 | 0 | 0 | 108.8 | L344 Q345 C431 P432 F590 | L344-H392 CarbonylContact O-C 3.54Å; L344-H392 WeakPolarHBondContact O-CA 3.25Å; Q345-H392 PolarHBondContact OE1-NE2 2.8Å; H392-C431 HydrophobicContact CB-CB 4.09Å; H392-P432 VanDerWaalsContact CD2-CD 3.49Å; H392-P432 WeakPolarHBondContact CD2-CD 3.45Å; H392-F590 AromaticContact CE1-CE1 3.55Å; H392-F590 AromaticContact CE1-CZ 3.48Å; H392-F590 VanDerWaalsContact CE1-CZ 3.48Å; H392-F590 WeakPolarHBondContact CE1-CZ 3.47Å; H392-F590 AromaticContact NE2-CZ 3.5Å |
| 393 | V | 98.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 118.3 | -177.1 | -174.5 | 0 | 0 | 0 | 0 | 109.2 | L344 F346 V360 V377 Q378 F380 L395 | L344-V393 HydrophobicContact CB-CB 4.27Å; L344-V393 PolarHBondContact N-O 2.87Å; L344-V393 PolarHBondContact O-N 2.8Å; F346-V393 HydrophobicContact CE1-CG2 3.88Å; F346-V393 HydrophobicContact CZ-CG2 4.38Å; V360-V393 HydrophobicContact CG1-CG1 4.2Å; V360-V393 HydrophobicContact CG2-CG2 4.27Å; V377-V393 HydrophobicContact CB-CG1 4.35Å; V377-V393 HydrophobicContact CG1-CG1 3.45Å; V377-V393 VanDerWaalsContact CG1-CG1 3.45Å; Q378-V393 HydrophobicContact CB-CG1 4.18Å; Q378-V393 HydrophobicContact CB-CG2 4.46Å; F380-V393 HydrophobicContact CE2-CG2 4.1Å; F380-V393 HydrophobicContact CZ-CG2 3.85Å; V393-L395 HydrophobicContact CG1-CD2 3.91Å; V393-L395 PolarHBondContact O-N 3.18Å |
| 394 | V | 97.6 | Very high | 94.9 | Very high | 66 Ų | 66 | 45.8 Ų | 45.8 | 40% | 0.4 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 121.9 | 178.5 | 179.6 | 0 | 0 | 0 | 0 | 109.9 | Q341 K396 C431 | Q341-V394 HydrophobicContact CG-CG1 4.23Å; V394-K396 HydrophobicContact CG1-CG 4.43Å; V394-C431 HydrophobicContact CG2-CB 3.78Å |
| 395 | L | 97.6 | Very high | 95.4 | Very high | 3 Ų | 3 | 40.6 Ų | 40.6 | 2% | 0.016 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 150.4 | 171.5 | -43.2 | -178 | 0 | 0 | 0 | 109.6 | Q341 Q342 L344 V362 V377 V393 E397 F401 L426 | Q341-L395 WeakPolarHBondContact CA-O 3.29Å; Q342-L395 HydrophobicContact CB-CB 4.22Å; Q342-L395 PolarHBondContact N-O 3.37Å; Q342-L395 PolarHBondContact O-N 2.77Å; Q342-L395 PolarHBondContact OE1-O 2.88Å; L344-L395 HydrophobicContact CB-CD1 4.15Å; L344-L395 HydrophobicContact CB-CG 4.36Å; V362-L395 HydrophobicContact CG2-CD1 4.17Å; V362-L395 HydrophobicContact CG2-CD2 3.8Å; V362-L395 HydrophobicContact CG2-CG 4.49Å; V377-L395 HydrophobicContact CG1-CD2 4.04Å; V377-L395 HydrophobicContact CG2-CD2 4.3Å; V393-L395 HydrophobicContact CG1-CD2 3.91Å; V393-L395 PolarHBondContact O-N 3.18Å; L395-E397 HydrophobicContact CB-CG 4.36Å; L395-F401 HydrophobicContact CD1-CE2 3.88Å; L395-F401 HydrophobicContact CD1-CZ 4.32Å; L395-L426 HydrophobicContact CD1-CD1 3.92Å |
| 396 | K | 96.3 | Very high | 96 | Very high | 146 Ų | 146 | 40.2 Ų | 40.2 | 64% | 0.635 | 19% | 0.189 | S | C | * | . | trans | -133.1 | 61.7 | -178.9 | -65.9 | -174.4 | 179.7 | -177.7 | 0 | 110.1 | K340 V394 | K340-K396 VanDerWaalsContact O-CA 3.31Å; K340-K396 WeakPolarHBondContact O-CA 3.43Å; V394-K396 HydrophobicContact CG1-CG 4.43Å | ||
| 397 | E | 95 | Very high | 96.4 | Very high | 10 Ų | 10 | 36.7 Ų | 36.7 | 5% | 0.047 | 17% | 0.173 | C | C | . | . | trans | -102.8 | 126.3 | -174.9 | -53 | -52.1 | 146.5 | 0 | 0 | 110.6 | P337 Q342 V362 R364 L395 F401 | P337-E397 WeakPolarHBondContact CB-O 3.4Å; P337-E397 HydrophobicContact CG-CB 4.44Å; P337-E397 VanDerWaalsContact CG-O 3.32Å; P337-E397 WeakPolarHBondContact CG-O 3.37Å; Q342-E397 PolarHBondContact NE2-O 2.7Å; V362-E397 HydrophobicContact CG1-CG 3.98Å; R364-E397 WeakPolarHBondContact CD-OE2 3.31Å; R364-E397 VanDerWaalsContact CG-OE2 3.25Å; R364-E397 WeakPolarHBondContact CG-OE2 3.09Å; R364-E397 IonicContact CZ-OE1 3.92Å; R364-E397 IonicContact CZ-OE2 3.54Å; R364-E397 IonicContact NE-OE1 3.16Å; R364-E397 PolarHBondContact NE-OE1 2.7Å; R364-E397 IonicContact NE-OE2 2.91Å; R364-E397 PolarHBondContact NE-OE2 2.85Å; R364-E397 IonicContact NH2-OE1 3.8Å; R364-E397 PolarHBondContact NH2-OE1 3.46Å; L395-E397 HydrophobicContact CB-CG 4.36Å; E397-F401 HydrophobicContact CB-CB 4.48Å; E397-F401 HydrophobicContact CB-CD1 3.51Å; E397-F401 HydrophobicContact CB-CD2 4.43Å; E397-F401 HydrophobicContact CB-CE1 3.67Å; E397-F401 HydrophobicContact CB-CG 3.91Å; E397-F401 HydrophobicContact CB-CZ 4.18Å; E397-F401 HydrophobicContact CG-CB 4.38Å; E397-F401 HydrophobicContact CG-CD1 3.93Å; E397-F401 HydrophobicContact CG-CD2 3.91Å; E397-F401 HydrophobicContact CG-CE1 4.09Å; E397-F401 HydrophobicContact CG-CE2 4.07Å; E397-F401 HydrophobicContact CG-CG 3.82Å; E397-F401 HydrophobicContact CG-CZ 4.14Å | ||
| 398 | E | 93.6 | Very high | 96.7 | Very high | 132 Ų | 132 | 34.2 Ų | 34.2 | 62% | 0.617 | 16% | 0.159 | S | C | * | . | trans | -106.8 | -9.9 | 178.3 | -60.1 | -169.9 | 174.8 | 0 | 0 | 112.8 | K340 | K340-E398 HydrophobicContact CB-CG 4.33Å; K340-E398 WeakPolarHBondContact CD-OE1 3.47Å; K340-E398 HydrophobicContact CG-CG 4.14Å | ||
| 399 | Q | 93.2 | Very high | 96.9 | Very high | 110 Ų | 110 | 34 Ų | 34 | 51% | 0.514 | 16% | 0.159 | S | C | . | . | S | Bend | trans | -122.7 | 168.5 | 179.4 | -66 | -176.4 | 54.8 | 0 | 0 | 109.6 | P337 D365 F401 | P337-Q399 WeakPolarHBondContact CD-O 3.31Å; P337-Q399 VanDerWaalsContact CG-O 3.29Å; P337-Q399 WeakPolarHBondContact CG-O 3.31Å; D365-Q399 HydrophobicContact CB-CB 4.07Å; Q399-F401 WeakPolarHBondContact O-CD1 3.5Å; Q399-F401 PolarHBondContact O-N 2.82Å |
| 400 | K | 95.1 | Very high | 96.9 | Very high | 63 Ų | 63 | 32.9 Ų | 32.9 | 27% | 0.274 | 16% | 0.157 | S | C | . | . | trans | -56 | 137.3 | 177.7 | 67.8 | -178.5 | 180 | -177.2 | 0 | 111.6 | I334 L335 Y336 D365 G369 V371 | I334-K400 HydrophobicContact CG2-CB 3.85Å; I334-K400 HydrophobicContact CG2-CD 4.19Å; I334-K400 HydrophobicContact CG2-CG 4.3Å; L335-K400 CarbonylContact O-C 3.52Å; L335-K400 WeakPolarHBondContact O-CA 3.33Å; L335-K400 WeakPolarHBondContact O-CB 3.27Å; Y336-K400 HydrophobicContact CD1-CB 3.85Å; Y336-K400 HydrophobicContact CE1-CB 3.9Å; Y336-K400 HydrophobicContact CE1-CD 4.05Å; D365-K400 PolarHBondContact N-O 3.23Å; D365-K400 WeakPolarHBondContact OD2-CE 3.42Å; G369-K400 WeakPolarHBondContact O-CE 3.49Å; G369-K400 PolarHBondContact O-NZ 3.01Å; V371-K400 HydrophobicContact CG2-CD 4.16Å; V371-K400 HydrophobicContact CG2-CG 3.83Å | ||
| 401 | F | 97.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 174.1 | -173.6 | 73.6 | -81.1 | 0 | 0 | 0 | 111.9 | L266 L335 P337 V362 R363 L395 E397 Q399 L426 | L266-F401 HydrophobicContact CD1-CE1 4.48Å; L335-F401 HydrophobicContact CB-CE1 4.3Å; L335-F401 HydrophobicContact CD1-CE2 4.49Å; L335-F401 HydrophobicContact CD1-CZ 4.5Å; L335-F401 PolarHBondContact N-O 2.81Å; L335-F401 PolarHBondContact O-N 3.2Å; L335-F401 VanDerWaalsContact O-N 3.08Å; P337-F401 HydrophobicContact CB-CE1 4.18Å; P337-F401 HydrophobicContact CG-CD1 3.99Å; P337-F401 HydrophobicContact CG-CE1 3.91Å; V362-F401 HydrophobicContact CG1-CB 4.14Å; V362-F401 HydrophobicContact CG1-CD2 3.84Å; V362-F401 HydrophobicContact CG1-CG 4.34Å; R363-F401 CarbonylContact O-C 3.42Å; R363-F401 VanDerWaalsContact O-CA 3.31Å; R363-F401 WeakPolarHBondContact O-CA 3.4Å; R363-F401 WeakPolarHBondContact O-CB 3.29Å; L395-F401 HydrophobicContact CD1-CE2 3.88Å; L395-F401 HydrophobicContact CD1-CZ 4.32Å; E397-F401 HydrophobicContact CB-CB 4.48Å; E397-F401 HydrophobicContact CB-CD1 3.51Å; E397-F401 HydrophobicContact CB-CD2 4.43Å; E397-F401 HydrophobicContact CB-CE1 3.67Å; E397-F401 HydrophobicContact CB-CG 3.91Å; E397-F401 HydrophobicContact CB-CZ 4.18Å; E397-F401 HydrophobicContact CG-CB 4.38Å; E397-F401 HydrophobicContact CG-CD1 3.93Å; E397-F401 HydrophobicContact CG-CD2 3.91Å; E397-F401 HydrophobicContact CG-CE1 4.09Å; E397-F401 HydrophobicContact CG-CE2 4.07Å; E397-F401 HydrophobicContact CG-CG 3.82Å; E397-F401 HydrophobicContact CG-CZ 4.14Å; Q399-F401 WeakPolarHBondContact O-CD1 3.5Å; Q399-F401 PolarHBondContact O-N 2.82Å; F401-L426 HydrophobicContact CE2-CD2 4.4Å; F401-L426 HydrophobicContact CZ-CD2 3.9Å |
| 402 | R | 97.9 | Very high | 96.5 | Very high | 46 Ų | 46 | 34.7 Ų | 34.7 | 17% | 0.174 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 139 | 163.1 | -63.4 | -179.3 | 179.5 | -114.5 | 6.4 | 108.7 | S332 I334 V362 R363 V371 L404 | S332-R402 WeakPolarHBondContact O-CD 3.33Å; S332-R402 WeakPolarHBondContact O-CG 3.22Å; S332-R402 PolarHBondContact O-NH1 2.91Å; S332-R402 WeakPolarHBondContact OG-CA 3.44Å; I334-R402 HydrophobicContact CG1-CG 4.34Å; V362-R402 CarbonylContact C-O 3.54Å; V362-R402 WeakPolarHBondContact CA-O 3.3Å; R363-R402 HydrophobicContact CB-CB 4.41Å; R363-R402 PolarHBondContact N-O 2.85Å; R363-R402 PolarHBondContact O-N 2.88Å; V371-R402 HydrophobicContact CG1-CG 4.31Å; R402-L404 HydrophobicContact CB-CD1 4.33Å; R402-L404 WeakPolarHBondContact O-CD1 3.14Å |
| 403 | Y | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 151.3 | 156.8 | 68.4 | -98.1 | 0 | 0 | 0 | 109.9 | D267 M279 S332 L335 L344 W361 F405 I424 L426 | D267-Y403 HydrophobicContact CB-CE1 4.39Å; D267-Y403 PolarHBondContact OD2-OH 3.18Å; M279-Y403 HydrophobicContact CE-CE2 3.78Å; S332-Y403 VanDerWaalsContact CB-CE1 3.46Å; S332-Y403 PolarHBondContact N-O 2.8Å; S332-Y403 WeakPolarHBondContact OG-CD1 3.39Å; S332-Y403 PolarHBondContact OG-N 3.24Å; S332-Y403 PolarHBondContact OG-O 3.24Å; L335-Y403 HydrophobicContact CD1-CD1 3.66Å; L335-Y403 HydrophobicContact CD1-CE1 3.63Å; L344-Y403 HydrophobicContact CD1-CD1 4.28Å; L344-Y403 HydrophobicContact CD1-CD2 4.23Å; L344-Y403 HydrophobicContact CD1-CE1 4.18Å; L344-Y403 HydrophobicContact CD1-CE2 4.16Å; L344-Y403 HydrophobicContact CD1-CG 4.29Å; L344-Y403 HydrophobicContact CD2-CD2 4.04Å; L344-Y403 HydrophobicContact CD2-CG 4.1Å; W361-Y403 CarbonylContact O-C 3.6Å; W361-Y403 WeakPolarHBondContact O-CA 3.3Å; Y403-F405 HydrophobicContact CD2-CD2 4.44Å; Y403-F405 AromaticContact CD2-CE2 3.9Å; Y403-F405 HydrophobicContact CD2-CE2 3.9Å; Y403-F405 HydrophobicContact CD2-CZ 4.28Å; Y403-F405 HydrophobicContact CE2-CD2 4.32Å; Y403-F405 AromaticContact CE2-CE2 3.56Å; Y403-F405 HydrophobicContact CE2-CE2 3.56Å; Y403-F405 HydrophobicContact CE2-CZ 4.14Å; Y403-I424 HydrophobicContact CE2-CG2 4.17Å; Y403-I424 WeakPolarHBondContact OH-CG2 3.36Å; Y403-L426 HydrophobicContact CD1-CD2 4.03Å; Y403-L426 HydrophobicContact CE1-CB 4.4Å; Y403-L426 HydrophobicContact CE1-CD2 4.08Å |
| 404 | L | 97.6 | Very high | 95.8 | Very high | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.01 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 144.9 | -177.3 | -50.7 | 77.8 | 0 | 0 | 0 | 110.3 | L330 E331 V360 W361 R363 L374 R402 | L330-L404 CarbonylContact O-C 3.54Å; L330-L404 VanDerWaalsContact O-CA 3.31Å; L330-L404 WeakPolarHBondContact O-CA 3.32Å; E331-L404 HydrophobicContact CB-CD2 4.36Å; E331-L404 HydrophobicContact CB-CG 3.99Å; E331-L404 HydrophobicContact CG-CB 4.26Å; E331-L404 HydrophobicContact CG-CD2 3.51Å; E331-L404 HydrophobicContact CG-CG 3.66Å; E331-L404 WeakPolarHBondContact OE2-CD2 3.33Å; V360-L404 WeakPolarHBondContact CA-O 3.12Å; W361-L404 HydrophobicContact CB-CB 4.2Å; W361-L404 HydrophobicContact CB-CD1 4.19Å; W361-L404 PolarHBondContact N-O 3.09Å; W361-L404 PolarHBondContact O-N 3.28Å; R363-L404 HydrophobicContact CB-CD1 3.76Å; L374-L404 HydrophobicContact CD1-CD1 3.97Å; L374-L404 HydrophobicContact CD1-CD2 3.97Å; R402-L404 HydrophobicContact CB-CD1 4.33Å; R402-L404 WeakPolarHBondContact O-CD1 3.14Å |
| 405 | F | 98.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 120.4 | 167.1 | -61.7 | -74.4 | 0 | 0 | 0 | 109.3 | M279 W289 L329 L330 L344 F346 L358 V360 Y403 L421 I424 | M279-F405 HydrophobicContact CE-CD2 4.29Å; M279-F405 HydrophobicContact CE-CE2 4.32Å; W289-F405 HydrophobicContact CZ2-CB 4.38Å; L329-F405 WeakPolarHBondContact CA-O 3.49Å; L330-F405 PolarHBondContact N-O 3.37Å; L330-F405 PolarHBondContact O-N 2.84Å; L344-F405 HydrophobicContact CD2-CE1 4.46Å; L344-F405 HydrophobicContact CD2-CZ 4.24Å; F346-F405 HydrophobicContact CB-CZ 4.41Å; F346-F405 AromaticContact CD1-CE1 3.75Å; F346-F405 HydrophobicContact CD1-CE1 3.75Å; F346-F405 AromaticContact CD1-CZ 3.84Å; F346-F405 HydrophobicContact CD1-CZ 3.84Å; F346-F405 AromaticContact CD2-CE1 4Å; F346-F405 HydrophobicContact CD2-CE1 4Å; F346-F405 HydrophobicContact CD2-CZ 4.36Å; F346-F405 AromaticContact CE1-CE1 3.63Å; F346-F405 HydrophobicContact CE1-CE1 3.63Å; F346-F405 HydrophobicContact CE1-CZ 4.17Å; F346-F405 AromaticContact CE2-CE1 3.89Å; F346-F405 HydrophobicContact CE2-CE1 3.89Å; F346-F405 AromaticContact CG-CE1 3.94Å; F346-F405 HydrophobicContact CG-CE1 3.94Å; F346-F405 AromaticContact CG-CZ 3.94Å; F346-F405 HydrophobicContact CG-CZ 3.94Å; F346-F405 AromaticContact CZ-CE1 3.7Å; F346-F405 HydrophobicContact CZ-CE1 3.7Å; L358-F405 HydrophobicContact CD1-CB 4.06Å; L358-F405 HydrophobicContact CD1-CD1 4.09Å; V360-F405 HydrophobicContact CG2-CD1 3.97Å; V360-F405 HydrophobicContact CG2-CE1 3.92Å; Y403-F405 HydrophobicContact CD2-CD2 4.44Å; Y403-F405 AromaticContact CD2-CE2 3.9Å; Y403-F405 HydrophobicContact CD2-CE2 3.9Å; Y403-F405 HydrophobicContact CD2-CZ 4.28Å; Y403-F405 HydrophobicContact CE2-CD2 4.32Å; Y403-F405 AromaticContact CE2-CE2 3.56Å; Y403-F405 HydrophobicContact CE2-CE2 3.56Å; Y403-F405 HydrophobicContact CE2-CZ 4.14Å; F405-L421 HydrophobicContact CB-CD1 3.65Å; F405-L421 HydrophobicContact CD1-CD1 4.04Å; F405-L421 HydrophobicContact CD1-CD2 4.22Å; F405-L421 HydrophobicContact CD2-CD1 3.8Å; F405-L421 HydrophobicContact CE1-CD2 4.34Å; F405-L421 HydrophobicContact CE2-CD1 4.41Å; F405-L421 HydrophobicContact CG-CD1 3.56Å; F405-I424 HydrophobicContact CD2-CD1 4.49Å; F405-I424 HydrophobicContact CE2-CD1 3.62Å; F405-I424 HydrophobicContact CE2-CG1 4.16Å; F405-I424 HydrophobicContact CZ-CD1 4.22Å; F405-I424 HydrophobicContact CZ-CG1 4.26Å; F405-I424 HydrophobicContact CZ-CG2 4.49Å |
| 406 | Q | 98.1 | Very high | 95.1 | Very high | 37 Ų | 37 | 50.5 Ų | 50.5 | 17% | 0.173 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 113.1 | 168.1 | 175.6 | -175.6 | -15.7 | 0 | 0 | 108.5 | A327 A328 L329 L358 I359 T408 | A327-Q406 HydrophobicContact CB-CG 4.12Å; A328-Q406 CarbonylContact O-C 3.51Å; A328-Q406 VanDerWaalsContact O-CA 3.3Å; A328-Q406 WeakPolarHBondContact O-CA 3.41Å; L329-Q406 HydrophobicContact CD2-CB 3.52Å; L329-Q406 HydrophobicContact CD2-CG 3.73Å; L358-Q406 CarbonylContact C-O 3.59Å; L358-Q406 WeakPolarHBondContact CA-O 3.45Å; I359-Q406 HydrophobicContact CB-CB 4.19Å; I359-Q406 PolarHBondContact N-O 3.27Å; I359-Q406 PolarHBondContact O-N 3.04Å; Q406-T408 PolarHBondContact NE2-OG1 2.85Å; Q406-T408 VanDerWaalsContact NE2-OG1 3.08Å |
| 407 | G | 97.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 140.8 | 164.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | A327 A328 R357 | A327-G407 VanDerWaalsContact CA-O 3.22Å; A327-G407 WeakPolarHBondContact CA-O 3.45Å; A328-G407 PolarHBondContact N-O 2.93Å; A328-G407 PolarHBondContact O-N 3.22Å; R357-G407 CarbonylContact O-C 3.55Å; R357-G407 WeakPolarHBondContact O-CA 3.13Å |
| 408 | T | 97.4 | Very high | 94.8 | Very high | 2 Ų | 2 | 43.4 Ų | 43.4 | 1% | 0.012 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 129.6 | 177.8 | -57.9 | 0 | 0 | 0 | 0 | 110.4 | E326 R357 Q406 | E326-T408 WeakPolarHBondContact O-CA 3.47Å; R357-T408 PolarHBondContact N-O 3.09Å; R357-T408 VanDerWaalsContact NH2-CG2 3.35Å; R357-T408 PolarHBondContact O-N 3.04Å; Q406-T408 PolarHBondContact NE2-OG1 2.85Å; Q406-T408 VanDerWaalsContact NE2-OG1 3.08Å |
| 409 | K | 96.9 | Very high | 95 | Very high | 7 Ų | 7 | 37.1 Ų | 37.1 | 3% | 0.03 | 19% | 0.193 | C | C | . | . | trans | -73.3 | 128.3 | 179 | -54.6 | -175.4 | -170.9 | 170.4 | 0 | 110 | S318 T319 S321 E325 E326 P412 | S318-K409 VanDerWaalsContact O-CE 3.3Å; S318-K409 WeakPolarHBondContact O-CE 3.26Å; T319-K409 HydrophobicContact CG2-CG 4.08Å; S321-K409 WeakPolarHBondContact O-CD 3.13Å; S321-K409 WeakPolarHBondContact O-CE 3.46Å; S321-K409 PolarHBondContact O-NZ 3.28Å; E325-K409 WeakPolarHBondContact CA-O 3.22Å; E325-K409 PolarHBondContact N-O 3.43Å; E326-K409 HydrophobicContact CB-CD 4.07Å; E326-K409 HydrophobicContact CB-CG 4.42Å; E326-K409 PolarHBondContact O-N 2.81Å; E326-K409 IonicContact OE2-NZ 2.76Å; E326-K409 PolarHBondContact OE2-NZ 3.45Å; K409-P412 HydrophobicContact CB-CG 4.08Å; K409-P412 HydrophobicContact CD-CG 4.39Å | ||
| 410 | G | 95.4 | Very high | 95.1 | Very high | 12 Ų | 12 | 32.1 Ų | 32.1 | 12% | 0.124 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -92.7 | -66.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | A324 S355 D356 | A324-G410 WeakPolarHBondContact CB-O 3.39Å; S355-G410 WeakPolarHBondContact O-CA 3.44Å; D356-G410 PolarHBondContact OD1-N 2.87Å |
| 411 | D | 94.3 | Very high | 95.2 | Very high | 50 Ų | 50 | 29.1 Ų | 29.1 | 27% | 0.267 | 16% | 0.156 | S | C | . | . | trans | -133.5 | 84.4 | -180 | -177.7 | 8.2 | 0 | 0 | 0 | 111 | Q413 N414 S415 | D411-Q413 PolarHBondContact O-N 2.93Å; D411-Q413 PolarHBondContact OD1-N 3.17Å; D411-N414 PolarHBondContact O-N 2.9Å; D411-N414 PolarHBondContact OD2-ND2 2.89Å; D411-S415 WeakPolarHBondContact O-CB 3.01Å; D411-S415 PolarHBondContact O-N 2.96Å; D411-S415 VanDerWaalsContact O-N 3.1Å | ||
| 412 | P | 92 | Very high | 95.2 | Very high | 12 Ų | 12 | 29.1 Ų | 29.1 | 8% | 0.078 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -24.4 | -178.9 | -24.8 | 34.1 | 0 | 0 | 0 | 114.5 | T319 K409 N414 S415 | T319-P412 WeakPolarHBondContact O-CA 3.37Å; K409-P412 HydrophobicContact CB-CG 4.08Å; K409-P412 HydrophobicContact CD-CG 4.39Å; P412-N414 VanDerWaalsContact C-N 3.26Å; P412-N414 PolarHBondContact O-N 2.91Å; P412-S415 PolarHBondContact O-N 2.85Å |
| 413 | Q | 91.2 | Very high | 95.2 | Very high | 167 Ų | 167 | 27 Ų | 27 | 78% | 0.78 | 15% | 0.148 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -26.7 | -178.4 | -63.4 | -61.7 | -35.8 | 0 | 0 | 112.3 | D411 | D411-Q413 PolarHBondContact O-N 2.93Å; D411-Q413 PolarHBondContact OD1-N 3.17Å |
| 414 | N | 90.3 | Very high | 95.2 | Very high | 123 Ų | 123 | 27 Ų | 27 | 66% | 0.658 | 15% | 0.148 | S | C | * | . | S | Bend | trans | -113.9 | 8.3 | 178.5 | -64.1 | -47.6 | 0 | 0 | 0 | 112.7 | D411 P412 | D411-N414 PolarHBondContact O-N 2.9Å; D411-N414 PolarHBondContact OD2-ND2 2.89Å; P412-N414 VanDerWaalsContact C-N 3.26Å; P412-N414 PolarHBondContact O-N 2.91Å |
| 415 | S | 91.7 | Very high | 95.2 | Very high | 8 Ų | 8 | 27 Ų | 27 | 6% | 0.056 | 15% | 0.148 | C | C | . | . | trans | -91.7 | 135.7 | 175.4 | -178.9 | 0 | 0 | 0 | 0 | 110.7 | T319 S320 G352 S353 D411 P412 | T319-S415 WeakPolarHBondContact O-CB 3.09Å; T319-S415 PolarHBondContact OG1-OG 2.91Å; S320-S415 WeakPolarHBondContact CA-O 3.05Å; S320-S415 WeakPolarHBondContact CB-O 3.19Å; G352-S415 WeakPolarHBondContact CA-OG 3.22Å; S353-S415 PolarHBondContact N-OG 2.83Å; D411-S415 WeakPolarHBondContact O-CB 3.01Å; D411-S415 PolarHBondContact O-N 2.96Å; D411-S415 VanDerWaalsContact O-N 3.1Å; P412-S415 PolarHBondContact O-N 2.85Å | ||
| 416 | T | 88.9 | Confident | 95.2 | Very high | 134 Ų | 134 | 27 Ų | 27 | 82% | 0.822 | 15% | 0.148 | S | C | * | . | trans | -115.9 | -0.5 | 176.4 | 58.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 417 | G | 91.9 | Very high | 95.2 | Very high | 7 Ų | 7 | 25.8 Ų | 25.8 | 7% | 0.072 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -139.1 | -133.1 | -170.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | T319 S320 T351 | T319-G417 PolarHBondContact N-O 3.33Å; T319-G417 PolarHBondContact OG1-O 3.06Å; S320-G417 PolarHBondContact N-O 2.83Å; T351-G417 VanDerWaalsContact OG1-CA 3.31Å; T351-G417 WeakPolarHBondContact OG1-CA 3.36Å |
| 418 | G | 94.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -168.7 | -168.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | L317 M350 T351 Y420 | L317-G418 CarbonylContact O-C 3.46Å; L317-G418 WeakPolarHBondContact O-CA 3.3Å; M350-G418 CarbonylContact C-O 3.59Å; M350-G418 WeakPolarHBondContact CA-O 3.48Å; T351-G418 PolarHBondContact N-O 3.38Å; T351-G418 PolarHBondContact OG1-N 2.93Å; T351-G418 VanDerWaalsContact OG1-N 3.12Å; G418-Y420 VanDerWaalsContact C-CE2 3.48Å; G418-Y420 VanDerWaalsContact O-CE2 3.31Å; G418-Y420 WeakPolarHBondContact O-CE2 3.32Å |
| 419 | I | 96.3 | Very high | 95 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 134 | 173 | -49.9 | 178.8 | 0 | 0 | 0 | 108 | W289 Q316 L317 T319 M350 D356 R357 L358 | W289-I419 HydrophobicContact CH2-CB 4.11Å; W289-I419 HydrophobicContact CH2-CG2 3.75Å; W289-I419 HydrophobicContact CZ3-CB 4.45Å; W289-I419 HydrophobicContact CZ3-CG2 4.34Å; W289-I419 WeakPolarHBondContact CZ3-O 3.33Å; Q316-I419 CarbonylContact C-O 3.56Å; Q316-I419 WeakPolarHBondContact CA-O 2.97Å; L317-I419 HydrophobicContact CB-CB 4.39Å; L317-I419 HydrophobicContact CD2-CD1 4.33Å; L317-I419 PolarHBondContact N-O 3.13Å; L317-I419 PolarHBondContact O-N 2.95Å; T319-I419 HydrophobicContact CG2-CD1 4.41Å; T319-I419 HydrophobicContact CG2-CG1 4.04Å; M350-I419 HydrophobicContact CE-CD1 4.45Å; M350-I419 HydrophobicContact CE-CG2 4.03Å; M350-I419 HydrophobicContact CG-CG1 4.31Å; M350-I419 HydrophobicContact CG-CG2 4.15Å; D356-I419 HydrophobicContact CB-CD1 4.29Å; D356-I419 HydrophobicContact CB-CG1 4.46Å; R357-I419 WeakPolarHBondContact O-CD1 3.46Å; L358-I419 HydrophobicContact CB-CG2 4.28Å; L358-I419 HydrophobicContact CD1-CG2 4.43Å |
| 420 | Y | 96.1 | Very high | 94.9 | Very high | 4 Ų | 4 | 31 Ų | 31 | 2% | 0.016 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 142.8 | -174.6 | -52.9 | -111 | 0 | 0 | 0 | 109.3 | E299 F314 M315 Q316 Y348 K349 T351 G418 | E299-Y420 HydrophobicContact CG-CE1 4.4Å; F314-Y420 AromaticContact CD2-CD1 3.68Å; F314-Y420 HydrophobicContact CD2-CD1 3.68Å; F314-Y420 HydrophobicContact CD2-CE1 4.45Å; F314-Y420 AromaticContact CE2-CD1 3.34Å; F314-Y420 HydrophobicContact CE2-CD1 3.34Å; F314-Y420 AromaticContact CE2-CE1 3.67Å; F314-Y420 HydrophobicContact CE2-CE1 3.67Å; F314-Y420 HydrophobicContact CZ-CD1 4.2Å; F314-Y420 HydrophobicContact CZ-CE1 4.28Å; M315-Y420 CarbonylContact O-C 3.55Å; M315-Y420 WeakPolarHBondContact O-CA 3.31Å; Q316-Y420 HydrophobicContact CB-CD1 4.45Å; Q316-Y420 HydrophobicContact CG-CD1 3.95Å; Q316-Y420 HydrophobicContact CG-CE1 3.63Å; Q316-Y420 VanDerWaalsContact NE2-CE1 3.3Å; Q316-Y420 PolarHBondContact NE2-OH 2.81Å; Y348-Y420 WeakPolarHBondContact CA-O 3.31Å; Y348-Y420 WeakPolarHBondContact CB-O 3.43Å; K349-Y420 HydrophobicContact CB-CD2 4.22Å; K349-Y420 HydrophobicContact CB-CG 4.37Å; K349-Y420 HydrophobicContact CD-CD2 4.47Å; K349-Y420 HydrophobicContact CG-CD2 4.36Å; K349-Y420 PolarHBondContact N-O 2.85Å; K349-Y420 VanDerWaalsContact N-O 3.09Å; K349-Y420 WeakPolarHBondContact O-CD2 3.35Å; K349-Y420 PolarHBondContact O-N 3.14Å; T351-Y420 HydrophobicContact CG2-CE2 4.09Å; T351-Y420 VanDerWaalsContact OG1-CE2 3.28Å; T351-Y420 WeakPolarHBondContact OG1-CE2 3.48Å; T351-Y420 PolarHBondContact OG1-OH 3.04Å; G418-Y420 VanDerWaalsContact C-CE2 3.48Å; G418-Y420 VanDerWaalsContact O-CE2 3.31Å; G418-Y420 WeakPolarHBondContact O-CE2 3.32Å |
| 421 | L | 97.3 | Very high | 95 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 136.2 | 177.1 | -66.9 | 172.4 | 0 | 0 | 0 | 110.2 | W289 M315 L330 F346 L358 F405 | W289-L421 HydrophobicContact CE3-CD1 4.25Å; W289-L421 HydrophobicContact CH2-CD1 3.37Å; W289-L421 HydrophobicContact CH2-CG 3.67Å; W289-L421 HydrophobicContact CZ2-CD1 3.78Å; W289-L421 HydrophobicContact CZ3-CB 4.4Å; W289-L421 HydrophobicContact CZ3-CD1 3.64Å; W289-L421 HydrophobicContact CZ3-CG 3.74Å; M315-L421 HydrophobicContact CB-CB 4.36Å; M315-L421 PolarHBondContact N-O 2.74Å; M315-L421 PolarHBondContact O-N 3.3Å; L330-L421 HydrophobicContact CD2-CD1 4.48Å; F346-L421 HydrophobicContact CD2-CD2 3.88Å; F346-L421 HydrophobicContact CE2-CD2 4.12Å; L358-L421 HydrophobicContact CD1-CD1 4.42Å; L358-L421 HydrophobicContact CD1-CD2 4.26Å; L358-L421 HydrophobicContact CD2-CD2 3.7Å; F405-L421 HydrophobicContact CB-CD1 3.65Å; F405-L421 HydrophobicContact CD1-CD1 4.04Å; F405-L421 HydrophobicContact CD1-CD2 4.22Å; F405-L421 HydrophobicContact CD2-CD1 3.8Å; F405-L421 HydrophobicContact CE1-CD2 4.34Å; F405-L421 HydrophobicContact CE2-CD1 4.41Å; F405-L421 HydrophobicContact CG-CD1 3.56Å |
| 422 | D | 97.3 | Very high | 95 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 170 | 174.7 | -159.4 | 8.9 | 0 | 0 | 0 | 111.7 | H302 T303 F314 F347 W388 I424 | H302-D422 WeakPolarHBondContact CA-OD2 3.36Å; H302-D422 HydrophobicContact CB-CB 3.97Å; H302-D422 PolarHBondContact N-OD2 3.22Å; T303-D422 PolarHBondContact N-OD2 2.96Å; T303-D422 PolarHBondContact OG1-OD1 2.97Å; T303-D422 PolarHBondContact OG1-OD2 2.93Å; T303-D422 VanDerWaalsContact OG1-OD2 3.13Å; F314-D422 HydrophobicContact CB-CB 4.24Å; F347-D422 PolarHBondContact N-O 2.92Å; F347-D422 PolarHBondContact O-N 3.47Å; W388-D422 HydrophobicContact CH2-CB 3.72Å; W388-D422 HydrophobicContact CZ2-CB 4.49Å; W388-D422 HydrophobicContact CZ3-CB 4.01Å; D422-I424 VanDerWaalsContact C-N 3.34Å; D422-I424 PolarHBondContact O-N 2.68Å |
| 423 | D | 97.1 | Very high | 95.2 | Very high | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 49.9 | 48.1 | 172.7 | -77 | -19.6 | 0 | 0 | 0 | 114 | T270 H302 T303 F347 P515 K583 | T270-D423 WeakPolarHBondContact CG2-OD1 3.25Å; H302-D423 IonicContact CE1-OD2 2.83Å; H302-D423 IonicContact CG-OD2 3.75Å; H302-D423 IonicContact ND1-OD2 3.46Å; H302-D423 PolarHBondContact ND1-OD2 2.96Å; T303-D423 PolarHBondContact OG1-OD1 3.18Å; F347-D423 HydrophobicContact CB-CB 4.48Å; F347-D423 HydrophobicContact CD2-CB 3.68Å; F347-D423 HydrophobicContact CE2-CB 4.41Å; F347-D423 HydrophobicContact CG-CB 4.47Å; D423-P515 WeakPolarHBondContact OD1-CB 3.37Å; D423-K583 IonicContact OD2-NZ 3.97Å; D423-K583 PolarHBondContact OD2-NZ 3.17Å |
| 424 | I | 98.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 133.3 | 179.3 | -57.4 | 159 | 0 | 0 | 0 | 109.6 | H268 C269 F271 M279 L344 Q345 F346 Y403 F405 D422 | H268-I424 CarbonylContact C-O 3.54Å; H268-I424 WeakPolarHBondContact CA-O 3.49Å; H268-I424 PolarHBondContact ND1-O 2.9Å; C269-I424 HydrophobicContact CB-CB 4.4Å; C269-I424 PolarHBondContact N-O 3.08Å; C269-I424 PolarHBondContact O-N 2.94Å; F271-I424 HydrophobicContact CE1-CD1 4.4Å; F271-I424 HydrophobicContact CE2-CD1 3.73Å; F271-I424 HydrophobicContact CE2-CG1 4.36Å; F271-I424 HydrophobicContact CZ-CD1 3.35Å; F271-I424 HydrophobicContact CZ-CG1 4.42Å; M279-I424 HydrophobicContact CE-CD1 4.36Å; M279-I424 HydrophobicContact SD-CD1 4.08Å; L344-I424 HydrophobicContact CD1-CG2 3.79Å; Q345-I424 CarbonylContact O-C 3.56Å; Q345-I424 WeakPolarHBondContact O-CA 3.37Å; F346-I424 HydrophobicContact CB-CB 4.3Å; F346-I424 HydrophobicContact CB-CG1 3.81Å; F346-I424 HydrophobicContact CB-CG2 4.45Å; Y403-I424 HydrophobicContact CE2-CG2 4.17Å; Y403-I424 WeakPolarHBondContact OH-CG2 3.36Å; F405-I424 HydrophobicContact CD2-CD1 4.49Å; F405-I424 HydrophobicContact CE2-CD1 3.62Å; F405-I424 HydrophobicContact CE2-CG1 4.16Å; F405-I424 HydrophobicContact CZ-CD1 4.22Å; F405-I424 HydrophobicContact CZ-CG1 4.26Å; F405-I424 HydrophobicContact CZ-CG2 4.49Å; D422-I424 VanDerWaalsContact C-N 3.34Å; D422-I424 PolarHBondContact O-N 2.68Å |
| 425 | T | 98.2 | Very high | 95.9 | Very high | 2 Ų | 2 | 19.9 Ų | 19.9 | 1% | 0.012 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 131.8 | 175.1 | -58.9 | 0 | 0 | 0 | 0 | 109.3 | L265 Q345 T427 V517 | L265-T425 HydrophobicContact CD1-CG2 3.94Å; Q345-T425 PolarHBondContact N-O 3.15Å; Q345-T425 PolarHBondContact O-N 3.45Å; T425-T427 HydrophobicContact CG2-CG2 3.96Å; T425-V517 HydrophobicContact CG2-CB 3.89Å; T425-V517 HydrophobicContact CG2-CG1 3.65Å; T425-V517 HydrophobicContact CG2-CG2 4.24Å |
| 426 | L | 98.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 114.1 | 172.7 | 179.6 | 72.7 | 0 | 0 | 0 | 109.5 | L266 D267 L335 Q342 L344 L395 F401 Y403 | L266-L426 HydrophobicContact CB-CB 4.48Å; L266-L426 HydrophobicContact CB-CD2 3.79Å; L266-L426 HydrophobicContact CB-CG 4.07Å; L266-L426 HydrophobicContact CD1-CD2 3.87Å; L266-L426 HydrophobicContact CD1-CG 4.26Å; L266-L426 HydrophobicContact CG-CD2 4.5Å; L266-L426 PolarHBondContact N-O 2.72Å; D267-L426 HydrophobicContact CB-CB 4Å; D267-L426 PolarHBondContact N-O 3.47Å; D267-L426 PolarHBondContact O-N 3.24Å; L335-L426 HydrophobicContact CD1-CD2 3.55Å; Q342-L426 HydrophobicContact CB-CD1 3.83Å; L344-L426 HydrophobicContact CB-CD1 3.85Å; L344-L426 HydrophobicContact CD1-CB 4.25Å; L344-L426 HydrophobicContact CD1-CD1 4.23Å; L395-L426 HydrophobicContact CD1-CD1 3.92Å; F401-L426 HydrophobicContact CE2-CD2 4.4Å; F401-L426 HydrophobicContact CZ-CD2 3.9Å; Y403-L426 HydrophobicContact CD1-CD2 4.03Å; Y403-L426 HydrophobicContact CE1-CB 4.4Å; Y403-L426 HydrophobicContact CE1-CD2 4.08Å |
| 427 | T | 97.9 | Very high | 96.6 | Very high | 13 Ų | 13 | 16.5 Ų | 16.5 | 8% | 0.08 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 151.9 | 176.2 | 57.3 | 0 | 0 | 0 | 0 | 111.3 | L104 T264 L265 Q342 C343 T425 T429 | L104-T427 HydrophobicContact CD1-CG2 3.59Å; T264-T427 CarbonylContact O-C 3.58Å; T264-T427 VanDerWaalsContact O-CA 3.27Å; T264-T427 WeakPolarHBondContact O-CA 3.11Å; L265-T427 HydrophobicContact CD1-CG2 4.02Å; Q342-T427 CarbonylContact C-O 3.52Å; Q342-T427 WeakPolarHBondContact CA-O 3.15Å; Q342-T427 VanDerWaalsContact CB-O 3.29Å; Q342-T427 WeakPolarHBondContact CB-O 3.49Å; C343-T427 PolarHBondContact N-O 3.38Å; C343-T427 PolarHBondContact O-N 2.05Å; T425-T427 HydrophobicContact CG2-CG2 3.96Å; T427-T429 PolarHBondContact O-N 2.82Å; T427-T429 VanDerWaalsContact O-N 3.13Å; T427-T429 PolarHBondContact OG1-OG1 3.37Å |
| 428 | E | 97.3 | Very high | 96.8 | Very high | 1 Ų | 1 | 16.4 Ų | 16.4 | 1% | 0.005 | 10% | 0.1 | C | C | . | . | S | Bend | trans | -86.5 | 51.6 | 171.5 | -53.6 | -153.3 | 86.3 | 0 | 0 | 111 | T264 L266 P337 K338 R339 Q341 Q342 | T264-E428 HydrophobicContact CG2-CB 4.37Å; T264-E428 PolarHBondContact O-N 3.07Å; L266-E428 HydrophobicContact CD1-CG 3.54Å; L266-E428 HydrophobicContact CD2-CG 4.05Å; L266-E428 HydrophobicContact CG-CG 3.52Å; P337-E428 VanDerWaalsContact CA-OE1 3.22Å; P337-E428 WeakPolarHBondContact CA-OE1 3.34Å; P337-E428 VanDerWaalsContact CB-OE1 3.25Å; P337-E428 WeakPolarHBondContact CB-OE1 3.37Å; K338-E428 WeakPolarHBondContact CB-OE2 3.5Å; K338-E428 VanDerWaalsContact N-CD 3.25Å; K338-E428 PolarHBondContact N-OE1 3.09Å; K338-E428 PolarHBondContact N-OE2 3.23Å; R339-E428 HydrophobicContact CB-CB 4.07Å; R339-E428 WeakPolarHBondContact CD-O 3.43Å; R339-E428 HydrophobicContact CG-CB 4.15Å; R339-E428 PolarHBondContact N-OE1 3.24Å; R339-E428 PolarHBondContact NH1-O 2.82Å; Q341-E428 CarbonylContact O-C 3.56Å; Q341-E428 WeakPolarHBondContact O-CA 3.33Å; Q342-E428 HydrophobicContact CG-CG 4.12Å; Q342-E428 PolarHBondContact NE2-OE1 3.21Å |
| 429 | T | 94.5 | Very high | 96.8 | Very high | 30 Ų | 30 | 18.1 Ų | 18.1 | 18% | 0.184 | 11% | 0.108 | C | C | . | . | S | Bend | trans | -126.8 | 160.4 | 178.8 | 60.4 | 0 | 0 | 0 | 0 | 109.6 | T264 Q342 C343 T427 | T264-T429 HydrophobicContact CG2-CG2 4.48Å; Q342-T429 CarbonylContact C-O 3.47Å; C343-T429 WeakPolarHBondContact CB-O 3.47Å; C343-T429 PolarHBondContact N-O 2.78Å; T427-T429 PolarHBondContact O-N 2.82Å; T427-T429 VanDerWaalsContact O-N 3.13Å; T427-T429 PolarHBondContact OG1-OG1 3.37Å |
| 430 | P | 94.9 | Very high | 96.7 | Very high | 87 Ų | 87 | 22.1 Ų | 22.1 | 57% | 0.565 | 13% | 0.129 | S | C | * | . | P | Polyproline II helix | trans | -56.9 | 149.8 | 165.1 | -22.6 | 34.8 | 0 | 0 | 0 | 111.2 | ||
| 431 | C | 96.1 | Very high | 96.7 | Very high | 15 Ų | 15 | 21.9 Ų | 21.9 | 10% | 0.101 | 13% | 0.129 | C | C | . | . | P | Polyproline II helix | trans | -80.1 | 152.9 | 167.1 | -71.9 | 0 | 0 | 0 | 0 | 110.1 | C343 H392 V394 | C343-C431 WeakPolarHBondContact CA-SG 3.46Å; C343-C431 HydrophobicContact CB-CB 4Å; C343-C431 WeakPolarHBondContact CB-SG 3.14Å; C343-C431 WeakPolarHBondContact SG-CA 3.46Å; C343-C431 WeakPolarHBondContact SG-CB 3.27Å; C343-C431 CovalentContact SG-SG 2.04Å; C343-C431 PolarHBondContact SG-SG 3.19Å; H392-C431 HydrophobicContact CB-CB 4.09Å; V394-C431 HydrophobicContact CG2-CB 3.78Å |
| 432 | P | 96.1 | Very high | 96.5 | Very high | 26 Ų | 26 | 24.3 Ų | 24.3 | 17% | 0.169 | 15% | 0.145 | C | C | . | . | P | Polyproline II helix | trans | -60.5 | 138.5 | 175.6 | 25.5 | -34.5 | 0 | 0 | 0 | 111.5 | H392 V435 F590 D592 | H392-P432 VanDerWaalsContact CD2-CD 3.49Å; H392-P432 WeakPolarHBondContact CD2-CD 3.45Å; P432-V435 HydrophobicContact CB-CG2 4.25Å; P432-V435 HydrophobicContact CG-CG2 3.74Å; P432-F590 HydrophobicContact CB-CB 3.87Å; P432-F590 HydrophobicContact CB-CD1 4.4Å; P432-F590 HydrophobicContact CB-CD2 4.33Å; P432-F590 HydrophobicContact CB-CG 3.98Å; P432-F590 HydrophobicContact CG-CD1 4.24Å; P432-F590 HydrophobicContact CG-CD2 4.28Å; P432-F590 HydrophobicContact CG-CE1 4.5Å; P432-F590 HydrophobicContact CG-CG 4.13Å; P432-D592 VanDerWaalsContact CA-OD1 3.23Å; P432-D592 WeakPolarHBondContact CA-OD1 3.41Å |
| 433 | T | 95.8 | Very high | 96.4 | Very high | 44 Ų | 44 | 29.3 Ų | 29.3 | 27% | 0.27 | 17% | 0.169 | S | C | . | . | S | Bend | trans | -70.3 | -40.1 | -178.7 | -64.3 | 0 | 0 | 0 | 0 | 111.9 | Y460 N461 F467 D592 E594 | T433-Y460 WeakPolarHBondContact CG2-O 3.4Å; T433-N461 HydrophobicContact CG2-CB 4.37Å; T433-F467 HydrophobicContact CG2-CE1 4.05Å; T433-F467 HydrophobicContact CG2-CZ 3.72Å; T433-D592 PolarHBondContact N-OD1 2.75Å; T433-E594 PolarHBondContact OG1-OE1 2.82Å; T433-E594 VanDerWaalsContact OG1-OE1 3.08Å |
| 434 | G | 96.8 | Very high | 96.3 | Very high | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.01 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 139.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | F590 V591 | G434-F590 CarbonylContact O-C 3.57Å; G434-F590 WeakPolarHBondContact O-CA 3.29Å; G434-V591 PolarHBondContact N-O 3.45Å; G434-V591 PolarHBondContact O-N 3.01Å |
| 435 | V | 98 | Very high | 96 | Very high | 44 Ų | 44 | 31 Ų | 31 | 27% | 0.267 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 125.5 | 174.5 | -179.5 | 0 | 0 | 0 | 0 | 108.4 | I390 P432 F459 I588 M589 F590 | I390-V435 HydrophobicContact CG2-CG1 3.91Å; P432-V435 HydrophobicContact CB-CG2 4.25Å; P432-V435 HydrophobicContact CG-CG2 3.74Å; V435-F459 WeakPolarHBondContact O-CZ 3.3Å; V435-I588 HydrophobicContact CG1-CG2 4.25Å; V435-M589 WeakPolarHBondContact CA-O 3.42Å; V435-F590 HydrophobicContact CB-CD1 4.26Å; V435-F590 HydrophobicContact CB-CE1 4.47Å; V435-F590 HydrophobicContact CG1-CD1 3.94Å; V435-F590 HydrophobicContact CG1-CE1 3.79Å; V435-F590 HydrophobicContact CG2-CD1 3.81Å; V435-F590 HydrophobicContact CG2-CE1 4Å |
| 436 | W | 98.1 | Very high | 95.8 | Very high | 22 Ų | 22 | 38.6 Ų | 38.6 | 8% | 0.083 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 116.9 | 177.9 | -178.3 | 26.9 | 0 | 0 | 0 | 110.5 | V438 L454 S456 F459 L469 L471 M589 | W436-V438 HydrophobicContact CD2-CG2 4.09Å; W436-V438 VanDerWaalsContact CE2-CG2 3.49Å; W436-V438 HydrophobicContact CH2-CG2 4.24Å; W436-V438 HydrophobicContact CZ2-CG2 3.59Å; W436-L454 HydrophobicContact CH2-CB 3.79Å; W436-L454 HydrophobicContact CZ2-CB 3.91Å; W436-S456 VanDerWaalsContact CD2-CB 3.47Å; W436-F459 HydrophobicContact CB-CZ 4.2Å; W436-L469 HydrophobicContact CE3-CB 3.97Å; W436-L469 HydrophobicContact CE3-CD1 4.3Å; W436-L469 HydrophobicContact CZ3-CB 4.02Å; W436-L471 HydrophobicContact CH2-CB 3.61Å; W436-L471 HydrophobicContact CH2-CD2 4.44Å; W436-L471 HydrophobicContact CZ3-CB 3.68Å; W436-M589 HydrophobicContact CD2-CE 3.64Å; W436-M589 HydrophobicContact CE3-CE 3.22Å; W436-M589 HydrophobicContact CE3-SD 3.98Å; W436-M589 HydrophobicContact CG-CE 4.27Å; W436-M589 HydrophobicContact CH2-CE 4.27Å; W436-M589 HydrophobicContact CZ3-CE 3.6Å; W436-M589 HydrophobicContact CZ3-SD 4.19Å; W436-M589 PolarHBondContact N-O 2.85Å; W436-M589 PolarHBondContact O-N 3.23Å |
| 437 | T | 97.4 | Very high | 95.6 | Very high | 50 Ų | 50 | 43.6 Ų | 43.6 | 31% | 0.307 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 127.6 | 172.7 | -55.4 | 0 | 0 | 0 | 0 | 109.7 | Q439 D586 L587 I588 | T437-Q439 HydrophobicContact CG2-CG 4.21Å; T437-D586 HydrophobicContact CG2-CB 4.12Å; T437-L587 WeakPolarHBondContact CA-O 3.18Å; T437-I588 HydrophobicContact CG2-CG1 4.06Å |
| 438 | V | 96.9 | Very high | 95.4 | Very high | 5 Ų | 5 | 43.6 Ų | 43.6 | 3% | 0.03 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 107.7 | 169.5 | -174.1 | 0 | 0 | 0 | 0 | 107.9 | W436 F441 V444 L454 L471 L587 M589 | W436-V438 HydrophobicContact CD2-CG2 4.09Å; W436-V438 VanDerWaalsContact CE2-CG2 3.49Å; W436-V438 HydrophobicContact CH2-CG2 4.24Å; W436-V438 HydrophobicContact CZ2-CG2 3.59Å; V438-F441 HydrophobicContact CB-CD2 4.12Å; V438-F441 HydrophobicContact CG1-CD2 3.73Å; V438-F441 HydrophobicContact CG1-CE2 4.29Å; V438-V444 HydrophobicContact CG1-CG2 4.1Å; V438-L454 HydrophobicContact CG1-CD2 4.17Å; V438-L471 HydrophobicContact CG2-CD2 4.3Å; V438-L587 HydrophobicContact CB-CB 4.43Å; V438-L587 PolarHBondContact N-O 3.08Å; V438-L587 PolarHBondContact O-N 2.71Å; V438-M589 HydrophobicContact CG2-CE 3.65Å |
| 439 | Q | 94.4 | Very high | 95.1 | Very high | 35 Ų | 35 | 47.2 Ų | 47.2 | 16% | 0.164 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -80.4 | 157.5 | 179.7 | -63 | 171.3 | -33.4 | 0 | 0 | 111.7 | D385 T437 F441 D586 | D385-Q439 PolarHBondContact OD1-NE2 3.05Å; D385-Q439 PolarHBondContact OD2-NE2 2.63Å; T437-Q439 HydrophobicContact CG2-CG 4.21Å; Q439-F441 VanDerWaalsContact C-N 3.26Å; Q439-F441 PolarHBondContact O-N 3.08Å; Q439-D586 VanDerWaalsContact CA-OD1 3.27Å; Q439-D586 WeakPolarHBondContact CA-OD1 3.41Å; Q439-D586 WeakPolarHBondContact CB-OD1 3.38Å; Q439-D586 WeakPolarHBondContact CG-OD1 3.35Å |
| 440 | N | 94.1 | Very high | 94.9 | Very high | 84 Ų | 84 | 52.1 Ų | 52.1 | 45% | 0.449 | 28% | 0.284 | S | S | . | . | S | Bend | trans | 51.1 | 45.7 | 179.7 | -60.6 | -52.1 | 0 | 0 | 0 | 112.4 | S442 Q443 V444 D585 | N440-S442 PolarHBondContact O-N 2.81Å; N440-Q443 HydrophobicContact CB-CB 4.35Å; N440-Q443 WeakPolarHBondContact O-CB 3.48Å; N440-Q443 PolarHBondContact O-N 3.44Å; N440-V444 PolarHBondContact O-N 2.83Å; N440-V444 VanDerWaalsContact O-N 3.11Å; N440-D585 WeakPolarHBondContact CA-OD2 3.36Å; N440-D585 PolarHBondContact N-O 2.79Å; N440-D585 VanDerWaalsContact N-O 3.15Å |
| 441 | F | 95.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.6 | -29.8 | -170.3 | -165.8 | -103.9 | 0 | 0 | 0 | 113.1 | V438 Q439 Q443 V444 L445 L471 P473 L482 L576 L582 D585 L587 | V438-F441 HydrophobicContact CB-CD2 4.12Å; V438-F441 HydrophobicContact CG1-CD2 3.73Å; V438-F441 HydrophobicContact CG1-CE2 4.29Å; Q439-F441 VanDerWaalsContact C-N 3.26Å; Q439-F441 PolarHBondContact O-N 3.08Å; F441-Q443 VanDerWaalsContact C-N 3.3Å; F441-Q443 PolarHBondContact O-N 2.52Å; F441-V444 HydrophobicContact CD2-CB 4.14Å; F441-V444 HydrophobicContact CD2-CG1 4.34Å; F441-V444 HydrophobicContact CE2-CB 4.34Å; F441-V444 HydrophobicContact CE2-CG1 4.07Å; F441-V444 WeakPolarHBondContact O-CB 3.19Å; F441-V444 PolarHBondContact O-N 2.55Å; F441-V444 VanDerWaalsContact O-N 3.14Å; F441-L445 HydrophobicContact CD1-CD1 3.92Å; F441-L445 HydrophobicContact CD1-CG 4.07Å; F441-L445 HydrophobicContact CE1-CD1 3.74Å; F441-L445 HydrophobicContact CE1-CD2 3.94Å; F441-L445 HydrophobicContact CE1-CG 3.67Å; F441-L445 HydrophobicContact CZ-CD2 4.23Å; F441-L445 HydrophobicContact CZ-CG 4.23Å; F441-L445 PolarHBondContact O-N 3.2Å; F441-L471 HydrophobicContact CE2-CD2 3.63Å; F441-L471 HydrophobicContact CZ-CD2 4.15Å; F441-P473 HydrophobicContact CZ-CB 4.27Å; F441-L482 HydrophobicContact CE1-CD2 3.74Å; F441-L482 HydrophobicContact CZ-CD2 3.42Å; F441-L482 VanDerWaalsContact CZ-CD2 3.42Å; F441-L576 HydrophobicContact CD1-CD1 4.34Å; F441-L576 HydrophobicContact CE1-CD1 3.81Å; F441-L582 HydrophobicContact CB-CD2 3.9Å; F441-L582 HydrophobicContact CD1-CD1 4.09Å; F441-L582 HydrophobicContact CD1-CD2 3.62Å; F441-L582 HydrophobicContact CG-CD2 3.97Å; F441-D585 WeakPolarHBondContact CB-O 3.46Å; F441-D585 PolarHBondContact N-O 3.12Å; F441-D585 PolarHBondContact N-OD2 2.91Å; F441-L587 HydrophobicContact CB-CB 4.19Å; F441-L587 HydrophobicContact CD1-CB 4.45Å; F441-L587 HydrophobicContact CD1-CD2 4.36Å; F441-L587 HydrophobicContact CD2-CB 3.98Å; F441-L587 HydrophobicContact CD2-CD2 3.88Å; F441-L587 HydrophobicContact CE1-CD2 4.12Å; F441-L587 HydrophobicContact CE2-CD2 3.65Å; F441-L587 HydrophobicContact CG-CB 3.91Å; F441-L587 HydrophobicContact CG-CD2 4.25Å; F441-L587 HydrophobicContact CZ-CD2 3.78Å |
| 442 | S | 93.4 | Very high | 94.4 | Very high | 50 Ų | 50 | 48.9 Ų | 48.9 | 35% | 0.35 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -60.4 | -41.8 | 172.6 | -64.3 | 0 | 0 | 0 | 0 | 111.2 | N440 V444 L445 E446 D585 | N440-S442 PolarHBondContact O-N 2.81Å; S442-V444 VanDerWaalsContact C-N 3.34Å; S442-L445 WeakPolarHBondContact O-CB 3.5Å; S442-L445 PolarHBondContact O-N 3.04Å; S442-E446 WeakPolarHBondContact O-CG 3.49Å; S442-E446 PolarHBondContact O-N 3.37Å; S442-D585 VanDerWaalsContact CB-OD1 3.23Å; S442-D585 WeakPolarHBondContact CB-OD1 3.47Å; S442-D585 VanDerWaalsContact CB-OD2 3.32Å; S442-D585 WeakPolarHBondContact CB-OD2 2.95Å; S442-D585 PolarHBondContact N-OD1 3.01Å; S442-D585 PolarHBondContact N-OD2 3.09Å; S442-D585 VanDerWaalsContact N-OD2 3.08Å; S442-D585 PolarHBondContact OG-OD1 3.04Å |
| 443 | Q | 94.9 | Very high | 94.2 | Very high | 106 Ų | 106 | 48.3 Ų | 48.3 | 50% | 0.495 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -67.8 | -35.3 | 174.8 | -171 | 179.9 | 23.2 | 0 | 0 | 111.9 | N440 F441 L445 E446 N447 | N440-Q443 HydrophobicContact CB-CB 4.35Å; N440-Q443 WeakPolarHBondContact O-CB 3.48Å; N440-Q443 PolarHBondContact O-N 3.44Å; F441-Q443 VanDerWaalsContact C-N 3.3Å; F441-Q443 PolarHBondContact O-N 2.52Å; Q443-L445 VanDerWaalsContact C-N 3.32Å; Q443-L445 PolarHBondContact O-N 2.99Å; Q443-E446 PolarHBondContact O-N 3.21Å; Q443-N447 WeakPolarHBondContact CG-ND2 3.43Å; Q443-N447 WeakPolarHBondContact O-CB 3.4Å; Q443-N447 PolarHBondContact O-N 3.49Å |
| 444 | V | 95.1 | Very high | 94.2 | Very high | 11 Ų | 11 | 46.8 Ų | 46.8 | 7% | 0.067 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59.7 | -45 | 172.4 | 175.4 | 0 | 0 | 0 | 0 | 110.4 | I24 V438 N440 F441 S442 E446 N447 T448 L454 P473 | I24-V444 HydrophobicContact CD1-CG2 4.23Å; V438-V444 HydrophobicContact CG1-CG2 4.1Å; N440-V444 PolarHBondContact O-N 2.83Å; N440-V444 VanDerWaalsContact O-N 3.11Å; F441-V444 HydrophobicContact CD2-CB 4.14Å; F441-V444 HydrophobicContact CD2-CG1 4.34Å; F441-V444 HydrophobicContact CE2-CB 4.34Å; F441-V444 HydrophobicContact CE2-CG1 4.07Å; F441-V444 WeakPolarHBondContact O-CB 3.19Å; F441-V444 PolarHBondContact O-N 2.55Å; F441-V444 VanDerWaalsContact O-N 3.14Å; S442-V444 VanDerWaalsContact C-N 3.34Å; V444-E446 VanDerWaalsContact C-N 3.33Å; V444-E446 PolarHBondContact O-N 2.75Å; V444-N447 PolarHBondContact O-N 3.38Å; V444-T448 HydrophobicContact CG1-CG2 4.18Å; V444-T448 WeakPolarHBondContact O-CB 3.4Å; V444-T448 VanDerWaalsContact O-CG2 3.29Å; V444-T448 WeakPolarHBondContact O-CG2 3.45Å; V444-T448 PolarHBondContact O-N 3Å; V444-T448 PolarHBondContact O-OG1 3.06Å; V444-L454 HydrophobicContact CG1-CD1 3.65Å; V444-L454 HydrophobicContact CG1-CD2 4Å; V444-L454 HydrophobicContact CG1-CG 4.45Å; V444-L454 HydrophobicContact CG2-CD2 4.48Å; V444-P473 HydrophobicContact CG1-CB 4.44Å; V444-P473 HydrophobicContact CG1-CG 3.82Å |
| 445 | L | 93 | Very high | 94 | Very high | 25 Ų | 25 | 48.3 Ų | 48.3 | 13% | 0.131 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.2 | -36.9 | 176.1 | -72.3 | 170 | 0 | 0 | 0 | 112.5 | F441 S442 Q443 P473 H474 | F441-L445 HydrophobicContact CD1-CD1 3.92Å; F441-L445 HydrophobicContact CD1-CG 4.07Å; F441-L445 HydrophobicContact CE1-CD1 3.74Å; F441-L445 HydrophobicContact CE1-CD2 3.94Å; F441-L445 HydrophobicContact CE1-CG 3.67Å; F441-L445 HydrophobicContact CZ-CD2 4.23Å; F441-L445 HydrophobicContact CZ-CG 4.23Å; F441-L445 PolarHBondContact O-N 3.2Å; S442-L445 WeakPolarHBondContact O-CB 3.5Å; S442-L445 PolarHBondContact O-N 3.04Å; Q443-L445 VanDerWaalsContact C-N 3.32Å; Q443-L445 PolarHBondContact O-N 2.99Å; L445-P473 HydrophobicContact CD2-CB 3.8Å; L445-H474 PolarHBondContact O-CE1 2.67Å; L445-H474 PolarHBondContact O-NE2 3.17Å |
| 446 | E | 93.4 | Very high | 94 | Very high | 161 Ų | 161 | 46.5 Ų | 46.5 | 75% | 0.752 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -71.4 | -37.2 | 177.6 | -71.8 | 178.1 | 179.3 | 0 | 0 | 113.1 | S442 Q443 V444 | S442-E446 WeakPolarHBondContact O-CG 3.49Å; S442-E446 PolarHBondContact O-N 3.37Å; Q443-E446 PolarHBondContact O-N 3.21Å; V444-E446 VanDerWaalsContact C-N 3.33Å; V444-E446 PolarHBondContact O-N 2.75Å |
| 447 | N | 94 | Very high | 93.8 | Very high | 105 Ų | 105 | 49.2 Ų | 49.2 | 56% | 0.561 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -88.6 | -12.4 | -174.3 | -72.6 | -18.1 | 0 | 0 | 0 | 114.1 | Q443 V444 | Q443-N447 WeakPolarHBondContact CG-ND2 3.43Å; Q443-N447 WeakPolarHBondContact O-CB 3.4Å; Q443-N447 PolarHBondContact O-N 3.49Å; V444-N447 PolarHBondContact O-N 3.38Å |
| 448 | T | 92.9 | Very high | 93.7 | Very high | 14 Ų | 14 | 51.3 Ų | 51.3 | 9% | 0.086 | 27% | 0.27 | C | S | . | . | trans | -104.2 | 155 | 178.8 | 57.5 | 0 | 0 | 0 | 0 | 111.3 | V444 D452 P473 H474 | V444-T448 HydrophobicContact CG1-CG2 4.18Å; V444-T448 WeakPolarHBondContact O-CB 3.4Å; V444-T448 VanDerWaalsContact O-CG2 3.29Å; V444-T448 WeakPolarHBondContact O-CG2 3.45Å; V444-T448 PolarHBondContact O-N 3Å; V444-T448 PolarHBondContact O-OG1 3.06Å; T448-D452 HydrophobicContact CG2-CB 4.17Å; T448-P473 HydrophobicContact CG2-CG 4.31Å; T448-H474 PolarHBondContact O-CD2 3.22Å; T448-H474 PolarHBondContact O-NE2 2.96Å; T448-H474 VanDerWaalsContact O-NE2 3.1Å; T448-H474 PolarHBondContact OG1-CD2 3.26Å | ||
| 449 | S | 91.4 | Very high | 93.7 | Very high | 76 Ų | 76 | 52.5 Ų | 52.5 | 53% | 0.531 | 28% | 0.275 | S | S | . | . | trans | -121.9 | 174.3 | 174.2 | -69.7 | 0 | 0 | 0 | 0 | 109.9 | G451 D452 | S449-G451 PolarHBondContact O-N 2.79Å; S449-D452 PolarHBondContact N-OD2 2.99Å; S449-D452 WeakPolarHBondContact O-CB 3.44Å; S449-D452 PolarHBondContact O-N 2.96Å | ||
| 450 | K | 90 | Very high | 93.8 | Very high | 134 Ų | 134 | 54.7 Ų | 54.7 | 58% | 0.583 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51 | 131.6 | 175.3 | 67.4 | -175.2 | -177.7 | -179.3 | 0 | 112 | D452 | K450-D452 VanDerWaalsContact C-N 3.25Å; K450-D452 PolarHBondContact O-N 3.14Å |
| 451 | G | 87.6 | Confident | 93.8 | Very high | 21 Ų | 21 | 51.2 Ų | 51.2 | 22% | 0.216 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 81.1 | -9.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | S449 G475 | S449-G451 PolarHBondContact O-N 2.79Å; G451-G475 PolarHBondContact N-O 3.26Å |
| 452 | D | 92.6 | Very high | 93.8 | Very high | 12 Ų | 12 | 55.9 Ų | 55.9 | 6% | 0.064 | 30% | 0.296 | C | S | . | . | trans | -69.7 | 146.8 | 169.4 | -63.4 | -24.5 | 0 | 0 | 0 | 109.6 | Y26 T448 S449 K450 P473 | Y26-D452 HydrophobicContact CE2-CB 4.14Å; Y26-D452 PolarHBondContact OH-OD1 3.17Å; Y26-D452 PolarHBondContact OH-OD2 2.74Å; T448-D452 HydrophobicContact CG2-CB 4.17Å; S449-D452 PolarHBondContact N-OD2 2.99Å; S449-D452 WeakPolarHBondContact O-CB 3.44Å; S449-D452 PolarHBondContact O-N 2.96Å; K450-D452 VanDerWaalsContact C-N 3.25Å; K450-D452 PolarHBondContact O-N 3.14Å; D452-P473 WeakPolarHBondContact O-CD 3.43Å | ||
| 453 | K | 92.7 | Very high | 93.9 | Very high | 15 Ų | 15 | 56.8 Ų | 56.8 | 7% | 0.065 | 30% | 0.295 | C | S | . | . | B | Isolated β-bridge | trans | -137.5 | 150.8 | -173.1 | 65.7 | -173.8 | -178.9 | -179.9 | 0 | 113.3 | T470 L471 Y472 | K453-T470 HydrophobicContact CB-CG2 3.86Å; K453-T470 HydrophobicContact CD-CG2 3.86Å; K453-T470 HydrophobicContact CG-CG2 4.3Å; K453-L471 CarbonylContact C-O 3.25Å; K453-L471 VanDerWaalsContact CA-O 3.25Å; K453-L471 WeakPolarHBondContact CA-O 3.47Å; K453-Y472 HydrophobicContact CB-CD1 3.8Å; K453-Y472 HydrophobicContact CB-CE1 3.64Å; K453-Y472 HydrophobicContact CB-CG 4.29Å; K453-Y472 HydrophobicContact CD-CE1 3.88Å; K453-Y472 WeakPolarHBondContact CD-OH 3.37Å; K453-Y472 HydrophobicContact CG-CE1 4.33Å |
| 454 | L | 94.9 | Very high | 94 | Very high | 12 Ų | 12 | 52.2 Ų | 52.2 | 6% | 0.063 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 147.6 | 167.5 | -59.4 | 98.4 | 0 | 0 | 0 | 108.6 | I24 W436 V438 V444 T470 L471 P473 | I24-L454 HydrophobicContact CG2-CD2 3.57Å; W436-L454 HydrophobicContact CH2-CB 3.79Å; W436-L454 HydrophobicContact CZ2-CB 3.91Å; V438-L454 HydrophobicContact CG1-CD2 4.17Å; V444-L454 HydrophobicContact CG1-CD1 3.65Å; V444-L454 HydrophobicContact CG1-CD2 4Å; V444-L454 HydrophobicContact CG1-CG 4.45Å; V444-L454 HydrophobicContact CG2-CD2 4.48Å; L454-T470 CarbonylContact O-C 3.52Å; L454-T470 WeakPolarHBondContact O-CA 3.45Å; L454-L471 HydrophobicContact CB-CB 4.42Å; L454-L471 HydrophobicContact CD1-CD2 4.35Å; L454-L471 HydrophobicContact CD1-CG 4.49Å; L454-L471 PolarHBondContact N-O 3.16Å; L454-L471 PolarHBondContact O-N 3.27Å; L454-P473 HydrophobicContact CD1-CG 3.26Å |
| 455 | Q | 94.6 | Very high | 94.1 | Very high | 32 Ų | 32 | 51.8 Ų | 51.8 | 15% | 0.15 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 138.9 | 178.1 | -69.9 | 179.7 | -41.1 | 0 | 0 | 110 | L469 T470 R561 | Q455-L469 WeakPolarHBondContact CA-O 3.5Å; Q455-T470 HydrophobicContact CG-CG2 4.27Å; Q455-R561 VanDerWaalsContact OE1-CZ 3.29Å |
| 456 | S | 96.5 | Very high | 94.3 | Very high | 6 Ų | 6 | 50.6 Ų | 50.6 | 4% | 0.042 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -69.9 | 164.7 | 174.2 | 77.6 | 0 | 0 | 0 | 0 | 111.2 | W436 F459 G468 L469 | W436-S456 VanDerWaalsContact CD2-CB 3.47Å; S456-F459 WeakPolarHBondContact OG-CE2 3.34Å; S456-G468 WeakPolarHBondContact OG-CA 3.49Å; S456-L469 PolarHBondContact N-O 3.44Å; S456-L469 PolarHBondContact OG-N 3.44Å |
| 457 | P | 94.4 | Very high | 94.5 | Very high | 80 Ų | 80 | 43 Ų | 43 | 52% | 0.519 | 23% | 0.231 | S | C | . | . | P | Polyproline II helix | trans | -55.2 | 160.8 | 157.6 | -21.9 | 34.3 | 0 | 0 | 0 | 111.6 | F459 | P457-F459 HydrophobicContact CB-CZ 4.5Å; P457-F459 WeakPolarHBondContact O-CE2 3.34Å |
| 458 | R | 95.1 | Very high | 94.7 | Very high | 94 Ų | 94 | 38 Ų | 38 | 36% | 0.355 | 21% | 0.205 | S | C | . | . | P | Polyproline II helix | trans | -79 | 125.2 | 172.6 | -178.1 | 172.5 | 61.6 | -169.2 | -6.6 | 109.8 | Y460 F467 C489 S490 | R458-Y460 HydrophobicContact CG-CE2 4.4Å; R458-Y460 VanDerWaalsContact CZ-OH 3.32Å; R458-Y460 PolarHBondContact NE-OH 3.47Å; R458-F467 WeakPolarHBondContact CA-O 3.38Å; R458-C489 HydrophobicContact CG-CB 3.99Å; R458-S490 PolarHBondContact NH1-O 3.26Å |
| 459 | F | 96.4 | Very high | 94.9 | Very high | 30 Ų | 30 | 37.3 Ų | 37.3 | 13% | 0.132 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 167.5 | 173.2 | -53.1 | -69 | 0 | 0 | 0 | 110.7 | V435 W436 S456 P457 G466 F467 V591 | V435-F459 WeakPolarHBondContact O-CZ 3.3Å; W436-F459 HydrophobicContact CB-CZ 4.2Å; S456-F459 WeakPolarHBondContact OG-CE2 3.34Å; P457-F459 HydrophobicContact CB-CZ 4.5Å; P457-F459 WeakPolarHBondContact O-CE2 3.34Å; F459-G466 CarbonylContact O-C 3.58Å; F459-G466 VanDerWaalsContact O-CA 3.31Å; F459-G466 WeakPolarHBondContact O-CA 3.39Å; F459-F467 HydrophobicContact CB-CD1 4.42Å; F459-F467 HydrophobicContact CB-CD2 4.19Å; F459-F467 HydrophobicContact CB-CE1 3.99Å; F459-F467 HydrophobicContact CB-CE2 3.75Å; F459-F467 HydrophobicContact CB-CZ 3.65Å; F459-F467 HydrophobicContact CD2-CD2 4.42Å; F459-F467 HydrophobicContact CD2-CE2 4.12Å; F459-F467 HydrophobicContact CG-CE2 4.33Å; F459-F467 PolarHBondContact N-O 2.7Å; F459-F467 PolarHBondContact O-N 3.48Å; F459-V591 HydrophobicContact CD2-CG1 4.01Å; F459-V591 HydrophobicContact CE2-CG1 4.11Å |
| 460 | Y | 96.5 | Very high | 95.2 | Very high | 81 Ų | 81 | 33.7 Ų | 33.7 | 32% | 0.318 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 136.8 | 174.8 | -72.2 | -82.5 | 0 | 0 | 0 | 110.2 | T433 R458 G464 Y465 | T433-Y460 WeakPolarHBondContact CG2-O 3.4Å; R458-Y460 HydrophobicContact CG-CE2 4.4Å; R458-Y460 VanDerWaalsContact CZ-OH 3.32Å; R458-Y460 PolarHBondContact NE-OH 3.47Å; Y460-G464 WeakPolarHBondContact CD1-O 3.48Å; Y460-Y465 WeakPolarHBondContact CA-O 3.49Å |
| 461 | N | 95.8 | Very high | 95.5 | Very high | 10 Ų | 10 | 27.3 Ų | 27.3 | 5% | 0.053 | 15% | 0.148 | C | C | . | . | trans | -85.8 | 177.5 | 174.1 | 77.2 | -14.5 | 0 | 0 | 0 | 111.1 | T433 E463 G464 Y465 F467 F593 | T433-N461 HydrophobicContact CG2-CB 4.37Å; N461-E463 PolarHBondContact O-N 2.92Å; N461-E463 PolarHBondContact OD1-N 3.35Å; N461-G464 PolarHBondContact O-N 3.41Å; N461-G464 PolarHBondContact OD1-N 3.37Å; N461-Y465 PolarHBondContact N-O 3.07Å; N461-Y465 PolarHBondContact OD1-N 3.19Å; N461-F467 HydrophobicContact CB-CE1 3.91Å; N461-F593 HydrophobicContact CB-CB 4.38Å; N461-F593 HydrophobicContact CB-CD1 4.18Å; N461-F593 WeakPolarHBondContact CB-O 3.37Å; N461-F593 PolarHBondContact ND2-O 2.63Å | ||
| 462 | S | 94 | Very high | 95.8 | Very high | 98 Ų | 98 | 26.7 Ų | 26.7 | 69% | 0.685 | 14% | 0.139 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59 | -27.8 | -178.8 | 60.1 | 0 | 0 | 0 | 0 | 113.9 | E594 | S462-E594 PolarHBondContact OG-OE2 3.25Š|
| 463 | E | 96.2 | Very high | 95.9 | Very high | 69 Ų | 69 | 26.1 Ų | 26.1 | 32% | 0.322 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -21.3 | 177.6 | -55.3 | -177.4 | 93.4 | 0 | 0 | 113.1 | N461 Y465 L497 R504 | N461-E463 PolarHBondContact O-N 2.92Å; N461-E463 PolarHBondContact OD1-N 3.35Å; E463-Y465 HydrophobicContact CB-CD2 3.96Å; E463-Y465 HydrophobicContact CB-CE2 4.12Å; E463-L497 WeakPolarHBondContact O-CD2 3.33Å; E463-R504 IonicContact OE1-CZ 3.38Å; E463-R504 IonicContact OE1-NE 2.75Å; E463-R504 IonicContact OE1-NH2 3.45Å; E463-R504 PolarHBondContact OE1-NH2 2.91Å; E463-R504 IonicContact OE2-CZ 3.5Å; E463-R504 IonicContact OE2-NE 3.53Å; E463-R504 PolarHBondContact OE2-NE 2.97Å; E463-R504 IonicContact OE2-NH2 3.49Å |
| 464 | G | 96.7 | Very high | 95.9 | Very high | 10 Ų | 10 | 27.2 Ų | 27.2 | 10% | 0.103 | 14% | 0.141 | C | C | . | . | trans | 102.6 | 10.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y460 N461 N493 | Y460-G464 WeakPolarHBondContact CD1-O 3.48Å; N461-G464 PolarHBondContact O-N 3.41Å; N461-G464 PolarHBondContact OD1-N 3.37Å; G464-N493 PolarHBondContact O-ND2 3.24Å; G464-N493 VanDerWaalsContact O-ND2 3.11Å | ||
| 465 | Y | 97.9 | Very high | 95.6 | Very high | 3 Ų | 3 | 26.7 Ų | 26.7 | 1% | 0.012 | 14% | 0.139 | C | C | . | . | trans | -68.4 | 128.7 | 170.6 | -70.6 | -79.6 | 0 | 0 | 0 | 110.3 | Y460 N461 E463 L497 E498 W499 V501 F593 | Y460-Y465 WeakPolarHBondContact CA-O 3.49Å; N461-Y465 PolarHBondContact N-O 3.07Å; N461-Y465 PolarHBondContact OD1-N 3.19Å; E463-Y465 HydrophobicContact CB-CD2 3.96Å; E463-Y465 HydrophobicContact CB-CE2 4.12Å; Y465-L497 HydrophobicContact CD1-CB 4.41Å; Y465-L497 HydrophobicContact CD1-CD1 3.63Å; Y465-L497 HydrophobicContact CD1-CG 4.49Å; Y465-L497 HydrophobicContact CD2-CD1 4.43Å; Y465-L497 HydrophobicContact CD2-CD2 4.48Å; Y465-L497 HydrophobicContact CE1-CB 3.72Å; Y465-L497 HydrophobicContact CE1-CD1 3.82Å; Y465-L497 HydrophobicContact CE1-CD2 4.49Å; Y465-L497 HydrophobicContact CE1-CG 4.21Å; Y465-L497 HydrophobicContact CE2-CD2 4.17Å; Y465-L497 HydrophobicContact CG-CD1 3.95Å; Y465-E498 PolarHBondContact OH-N 3.26Å; Y465-E498 PolarHBondContact OH-O 3.43Å; Y465-W499 AromaticContact CD1-CH2 3.67Å; Y465-W499 HydrophobicContact CD1-CH2 3.67Å; Y465-W499 AromaticContact CD1-CZ2 3.85Å; Y465-W499 HydrophobicContact CD1-CZ2 3.85Å; Y465-W499 HydrophobicContact CD1-CZ3 4.25Å; Y465-W499 HydrophobicContact CE1-CD2 4.38Å; Y465-W499 HydrophobicContact CE1-CE3 4.4Å; Y465-W499 AromaticContact CE1-CH2 3.87Å; Y465-W499 HydrophobicContact CE1-CH2 3.87Å; Y465-W499 AromaticContact CE1-CZ2 3.81Å; Y465-W499 HydrophobicContact CE1-CZ2 3.81Å; Y465-W499 HydrophobicContact CE1-CZ3 4.18Å; Y465-V501 HydrophobicContact CD1-CG2 3.69Å; Y465-V501 HydrophobicContact CE1-CB 4.34Å; Y465-V501 HydrophobicContact CE1-CG1 4.21Å; Y465-V501 HydrophobicContact CE1-CG2 3.27Å; Y465-V501 HydrophobicContact CE2-CG1 4.17Å; Y465-F593 HydrophobicContact CD2-CE1 4.44Å; Y465-F593 HydrophobicContact CG-CE1 4.2Å | ||
| 466 | G | 97.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 136.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111 | F459 V488 C489 | F459-G466 CarbonylContact O-C 3.58Å; F459-G466 VanDerWaalsContact O-CA 3.31Å; F459-G466 WeakPolarHBondContact O-CA 3.39Å; G466-V488 VanDerWaalsContact O-CG1 3.25Å; G466-V488 WeakPolarHBondContact O-CG1 3.49Å; G466-C489 PolarHBondContact O-N 2.76Å |
| 467 | F | 97.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 172.7 | 179 | 66.7 | -89.7 | 0 | 0 | 0 | 112.6 | T433 R458 F459 N461 F486 H487 V591 F593 | T433-F467 HydrophobicContact CG2-CE1 4.05Å; T433-F467 HydrophobicContact CG2-CZ 3.72Å; R458-F467 WeakPolarHBondContact CA-O 3.38Å; F459-F467 HydrophobicContact CB-CD1 4.42Å; F459-F467 HydrophobicContact CB-CD2 4.19Å; F459-F467 HydrophobicContact CB-CE1 3.99Å; F459-F467 HydrophobicContact CB-CE2 3.75Å; F459-F467 HydrophobicContact CB-CZ 3.65Å; F459-F467 HydrophobicContact CD2-CD2 4.42Å; F459-F467 HydrophobicContact CD2-CE2 4.12Å; F459-F467 HydrophobicContact CG-CE2 4.33Å; F459-F467 PolarHBondContact N-O 2.7Å; F459-F467 PolarHBondContact O-N 3.48Å; N461-F467 HydrophobicContact CB-CE1 3.91Å; F467-F486 HydrophobicContact CB-CE1 4.47Å; F467-F486 HydrophobicContact CB-CE2 3.75Å; F467-F486 HydrophobicContact CB-CZ 3.57Å; F467-F486 HydrophobicContact CD2-CD2 4.29Å; F467-F486 AromaticContact CD2-CE2 3.42Å; F467-F486 HydrophobicContact CD2-CE2 3.42Å; F467-F486 VanDerWaalsContact CD2-CE2 3.42Å; F467-F486 HydrophobicContact CD2-CZ 4.09Å; F467-F486 HydrophobicContact CE2-CE2 4.2Å; F467-F486 AromaticContact CG-CE2 3.78Å; F467-F486 HydrophobicContact CG-CE2 3.78Å; F467-F486 AromaticContact CG-CZ 3.95Å; F467-F486 HydrophobicContact CG-CZ 3.95Å; F467-H487 CarbonylContact C-O 3.6Å; F467-H487 VanDerWaalsContact CA-O 3.3Å; F467-H487 WeakPolarHBondContact CA-O 3.35Å; F467-H487 WeakPolarHBondContact CB-O 3.42Å; F467-V591 HydrophobicContact CD2-CG1 4.49Å; F467-V591 HydrophobicContact CD2-CG2 4.18Å; F467-V591 HydrophobicContact CE2-CB 4.29Å; F467-V591 HydrophobicContact CE2-CG1 3.71Å; F467-V591 HydrophobicContact CE2-CG2 3.69Å; F467-F593 HydrophobicContact CD1-CB 4.27Å; F467-F593 AromaticContact CD1-CD1 3.85Å; F467-F593 HydrophobicContact CD1-CD1 3.85Å; F467-F593 HydrophobicContact CD1-CG 4.47Å; F467-F593 HydrophobicContact CE1-CB 3.98Å; F467-F593 HydrophobicContact CE1-CD1 4.25Å; F467-F593 HydrophobicContact CE2-CB 4.39Å; F467-F593 HydrophobicContact CG-CD1 4.32Å; F467-F593 HydrophobicContact CZ-CB 4.04Å |
| 468 | G | 97.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.5 | 176.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113 | S456 H487 | S456-G468 WeakPolarHBondContact OG-CA 3.49Å; G468-H487 PolarHBondContact N-O 3.05Å; G468-H487 PolarHBondContact O-N 3.31Å |
| 469 | L | 97.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 147 | 175.9 | -60.9 | -177.4 | 0 | 0 | 0 | 110.9 | W436 Q455 S456 L484 A485 F486 I508 M589 V591 | W436-L469 HydrophobicContact CE3-CB 3.97Å; W436-L469 HydrophobicContact CE3-CD1 4.3Å; W436-L469 HydrophobicContact CZ3-CB 4.02Å; Q455-L469 WeakPolarHBondContact CA-O 3.5Å; S456-L469 PolarHBondContact N-O 3.44Å; S456-L469 PolarHBondContact OG-N 3.44Å; L469-L484 HydrophobicContact CB-CD1 4.4Å; L469-A485 CarbonylContact C-O 3.57Å; L469-A485 VanDerWaalsContact CA-O 3.27Å; L469-A485 WeakPolarHBondContact CA-O 3.29Å; L469-F486 HydrophobicContact CD2-CD2 4.32Å; L469-I508 HydrophobicContact CD1-CG2 3.96Å; L469-I508 HydrophobicContact CD2-CD1 3.82Å; L469-I508 HydrophobicContact CD2-CG1 4.14Å; L469-I508 HydrophobicContact CD2-CG2 4.04Å; L469-M589 HydrophobicContact CD1-CB 4.21Å; L469-V591 HydrophobicContact CD1-CB 4.04Å; L469-V591 HydrophobicContact CD1-CG1 4.05Å; L469-V591 HydrophobicContact CD2-CB 4.03Å; L469-V591 HydrophobicContact CD2-CG1 4.4Å; L469-V591 HydrophobicContact CD2-CG2 3.92Å; L469-V591 HydrophobicContact CG-CB 4.16Å; L469-V591 HydrophobicContact CG-CG1 4.05Å; L469-V591 HydrophobicContact CG-CG2 4.49Å |
| 470 | T | 96.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 119.9 | 167.9 | -56.3 | 0 | 0 | 0 | 0 | 109.5 | K453 L454 Q455 Y472 A485 H487 D564 | K453-T470 HydrophobicContact CB-CG2 3.86Å; K453-T470 HydrophobicContact CD-CG2 3.86Å; K453-T470 HydrophobicContact CG-CG2 4.3Å; L454-T470 CarbonylContact O-C 3.52Å; L454-T470 WeakPolarHBondContact O-CA 3.45Å; Q455-T470 HydrophobicContact CG-CG2 4.27Å; T470-Y472 HydrophobicContact CG2-CD2 4.04Å; T470-Y472 HydrophobicContact CG2-CE2 3.38Å; T470-A485 PolarHBondContact N-O 3.37Å; T470-A485 PolarHBondContact O-N 2.94Å; T470-H487 PolarHBondContact OG1-CE1 3.15Å; T470-H487 PolarHBondContact OG1-ND1 3.32Å; T470-H487 VanDerWaalsContact OG1-ND1 3.14Å; T470-D564 WeakPolarHBondContact CB-OD1 3.34Å; T470-D564 VanDerWaalsContact CB-OD2 3.3Å; T470-D564 WeakPolarHBondContact CB-OD2 3.48Å; T470-D564 VanDerWaalsContact CG2-OD2 3.3Å; T470-D564 WeakPolarHBondContact CG2-OD2 3.22Å; T470-D564 VanDerWaalsContact OG1-CG 3.28Å; T470-D564 PolarHBondContact OG1-OD1 3.39Å; T470-D564 PolarHBondContact OG1-OD2 3.26Å |
| 471 | L | 96.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 128.9 | 177.6 | 176 | 65.7 | 0 | 0 | 0 | 110.1 | W436 V438 F441 K453 L454 L482 L484 L587 M589 | W436-L471 HydrophobicContact CH2-CB 3.61Å; W436-L471 HydrophobicContact CH2-CD2 4.44Å; W436-L471 HydrophobicContact CZ3-CB 3.68Å; V438-L471 HydrophobicContact CG2-CD2 4.3Å; F441-L471 HydrophobicContact CE2-CD2 3.63Å; F441-L471 HydrophobicContact CZ-CD2 4.15Å; K453-L471 CarbonylContact C-O 3.25Å; K453-L471 VanDerWaalsContact CA-O 3.25Å; K453-L471 WeakPolarHBondContact CA-O 3.47Å; L454-L471 HydrophobicContact CB-CB 4.42Å; L454-L471 HydrophobicContact CD1-CD2 4.35Å; L454-L471 HydrophobicContact CD1-CG 4.49Å; L454-L471 PolarHBondContact N-O 3.16Å; L454-L471 PolarHBondContact O-N 3.27Å; L471-L482 HydrophobicContact CD1-CB 4.4Å; L471-L482 HydrophobicContact CD1-CD2 3.91Å; L471-L484 HydrophobicContact CB-CD1 3.96Å; L471-L484 HydrophobicContact CD1-CD1 3.94Å; L471-L587 HydrophobicContact CD2-CD2 3.96Å; L471-M589 HydrophobicContact CD1-SD 4.43Å; L471-M589 HydrophobicContact CD2-CE 4.01Å; L471-M589 HydrophobicContact CD2-SD 4.42Å |
| 472 | Y | 95.2 | Very high | 91 | Very high | 8 Ų | 8 | 37.8 Ų | 37.8 | 3% | 0.031 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 100.2 | 172.4 | -64.8 | -98.3 | 0 | 0 | 0 | 108.2 | D34 K453 T470 H474 G475 R483 D564 | D34-Y472 PolarHBondContact OD2-OH 2.75Å; K453-Y472 HydrophobicContact CB-CD1 3.8Å; K453-Y472 HydrophobicContact CB-CE1 3.64Å; K453-Y472 HydrophobicContact CB-CG 4.29Å; K453-Y472 HydrophobicContact CD-CE1 3.88Å; K453-Y472 WeakPolarHBondContact CD-OH 3.37Å; K453-Y472 HydrophobicContact CG-CE1 4.33Å; T470-Y472 HydrophobicContact CG2-CD2 4.04Å; T470-Y472 HydrophobicContact CG2-CE2 3.38Å; Y472-H474 VanDerWaalsContact C-N 3.28Å; Y472-H474 PolarHBondContact O-N 2.75Å; Y472-G475 PolarHBondContact O-N 3.38Å; Y472-R483 HydrophobicContact CD2-CB 4.31Å; Y472-R483 HydrophobicContact CD2-CG 3.76Å; Y472-R483 HydrophobicContact CG-CB 4.45Å; Y472-R483 HydrophobicContact CG-CG 4.32Å; Y472-R483 PolarHBondContact N-O 2.96Å; Y472-R483 PolarHBondContact O-N 3.2Å; Y472-R483 VanDerWaalsContact O-N 3.09Å; Y472-D564 PolarHBondContact OH-OD2 3.2Å |
| 473 | P | 94.8 | Very high | 91 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -35.2 | -171 | -26.1 | 35.3 | 0 | 0 | 0 | 114 | F441 V444 L445 T448 D452 L454 H573 | F441-P473 HydrophobicContact CZ-CB 4.27Å; V444-P473 HydrophobicContact CG1-CB 4.44Å; V444-P473 HydrophobicContact CG1-CG 3.82Å; L445-P473 HydrophobicContact CD2-CB 3.8Å; T448-P473 HydrophobicContact CG2-CG 4.31Å; D452-P473 WeakPolarHBondContact O-CD 3.43Å; L454-P473 HydrophobicContact CD1-CG 3.26Å; P473-H573 PolarHBondContact O-NE2 3.48Å |
| 474 | H | 92.3 | Very high | 91 | Very high | 39 Ų | 39 | 29.9 Ų | 29.9 | 18% | 0.181 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.3 | 16.2 | 177.3 | -68.1 | -76.3 | 0 | 0 | 0 | 113.3 | L445 T448 Y472 E477 Y481 H573 | L445-H474 PolarHBondContact O-CE1 2.67Å; L445-H474 PolarHBondContact O-NE2 3.17Å; T448-H474 PolarHBondContact O-CD2 3.22Å; T448-H474 PolarHBondContact O-NE2 2.96Å; T448-H474 VanDerWaalsContact O-NE2 3.1Å; T448-H474 PolarHBondContact OG1-CD2 3.26Å; Y472-H474 VanDerWaalsContact C-N 3.28Å; Y472-H474 PolarHBondContact O-N 2.75Å; H474-E477 VanDerWaalsContact O-O 3.08Å; H474-Y481 CarbonylContact C-O 3.58Å; H474-H573 AromaticContact ND1-CE1 3.44Å; H474-H573 PolarHBondContact ND1-CE1 2.74Å |
| 475 | G | 89.3 | Confident | 90.9 | Very high | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.01 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.9 | -166.1 | -170.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | G451 Y472 Y481 | G451-G475 PolarHBondContact N-O 3.26Å; Y472-G475 PolarHBondContact O-N 3.38Å; G475-Y481 PolarHBondContact N-O 3.45Å |
| 476 | R | 82.8 | Confident | 90.9 | Very high | 74 Ų | 74 | 29.2 Ų | 29.2 | 28% | 0.279 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -29.9 | 173 | -66.1 | -160 | -169.2 | 110.3 | 25.7 | 113.2 | D34 D36 R483 | D34-R476 IonicContact OD2-CZ 3.87Å; D34-R476 VanDerWaalsContact OD2-CZ 3.23Å; D34-R476 IonicContact OD2-NE 3.69Å; D34-R476 PolarHBondContact OD2-NE 3.49Å; D34-R476 IonicContact OD2-NH2 2.62Å; D34-R476 PolarHBondContact OD2-NH2 3.27Å; D36-R476 VanDerWaalsContact CG-NH1 3.34Å; D36-R476 IonicContact OD1-CZ 2.93Å; D36-R476 IonicContact OD1-NH1 3.66Å; D36-R476 PolarHBondContact OD1-NH1 3.45Å; D36-R476 IonicContact OD1-NH2 3.97Å; D36-R476 PolarHBondContact OD1-NH2 2.9Å; D36-R476 IonicContact OD2-NH1 3.49Å; D36-R476 PolarHBondContact OD2-NH1 2.95Å; D36-R476 VanDerWaalsContact OD2-NH1 3.09Å; R476-R483 VanDerWaalsContact NH2-NH2 3.13Å |
| 477 | E | 76.7 | Confident | 90.9 | Very high | 157 Ų | 157 | 29.3 Ų | 29.3 | 73% | 0.734 | 15% | 0.149 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -116.3 | 157.7 | 177.4 | -59.4 | -169.7 | 170.9 | 0 | 0 | 108.4 | H474 S479 | H474-E477 VanDerWaalsContact O-O 3.08Å; E477-S479 PolarHBondContact O-N 3.37Å |
| 478 | N | 67.9 | Low | 90.9 | Very high | 144 Ų | 144 | 29.3 Ų | 29.3 | 77% | 0.77 | 15% | 0.149 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | 78.1 | -178.6 | -165.3 | 31.9 | 0 | 0 | 0 | 110 | ||
| 479 | S | 74.1 | Confident | 90.9 | Very high | 59 Ų | 59 | 29.4 Ų | 29.4 | 41% | 0.413 | 15% | 0.149 | S | C | . | . | S | Bend | trans | -100.8 | -19.3 | -174.2 | 61.4 | 0 | 0 | 0 | 0 | 112.9 | E477 Y481 | E477-S479 PolarHBondContact O-N 3.37Å; S479-Y481 WeakPolarHBondContact O-CD2 3.33Å; S479-Y481 PolarHBondContact OG-N 3.01Å |
| 480 | G | 87.3 | Confident | 90.8 | Very high | 29 Ų | 29 | 30.2 Ų | 30.2 | 30% | 0.299 | 16% | 0.155 | S | C | . | . | S | Bend | trans | 74.4 | 17.6 | -168.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | H573 | G480-H573 PolarHBondContact O-N 3.15Š|
| 481 | Y | 91.1 | Very high | 90.7 | Very high | 103 Ų | 103 | 31 Ų | 31 | 40% | 0.404 | 16% | 0.164 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 153.5 | 176.7 | -68.7 | -102 | 0 | 0 | 0 | 111.2 | H474 G475 S479 I571 S572 | H474-Y481 CarbonylContact C-O 3.58Å; G475-Y481 PolarHBondContact N-O 3.45Å; S479-Y481 WeakPolarHBondContact O-CD2 3.33Å; S479-Y481 PolarHBondContact OG-N 3.01Å; Y481-I571 WeakPolarHBondContact CA-O 3.21Å; Y481-S572 VanDerWaalsContact CE1-CB 3.46Å |
| 482 | L | 93 | Very high | 90.6 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 142.7 | 163.2 | -61.1 | 94.8 | 0 | 0 | 0 | 109.3 | F441 L471 F570 I571 L576 L587 | F441-L482 HydrophobicContact CE1-CD2 3.74Å; F441-L482 HydrophobicContact CZ-CD2 3.42Å; F441-L482 VanDerWaalsContact CZ-CD2 3.42Å; L471-L482 HydrophobicContact CD1-CB 4.4Å; L471-L482 HydrophobicContact CD1-CD2 3.91Å; L482-F570 WeakPolarHBondContact O-CB 3.18Å; L482-F570 PolarHBondContact O-N 2.84Å; L482-I571 HydrophobicContact CB-CG2 4.32Å; L482-I571 HydrophobicContact CD1-CG2 3.62Å; L482-I571 WeakPolarHBondContact CD1-O 3.31Å; L482-I571 HydrophobicContact CG-CG2 4.49Å; L482-I571 PolarHBondContact N-O 3.29Å; L482-L576 HydrophobicContact CD1-CD1 3.24Å; L482-L576 HydrophobicContact CD1-CD2 4.37Å; L482-L576 HydrophobicContact CD1-CG 3.69Å; L482-L576 HydrophobicContact CD2-CD1 3.93Å; L482-L576 HydrophobicContact CG-CD1 4.22Å; L482-L587 HydrophobicContact CD2-CD2 4.45Å |
| 483 | R | 93.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 138.2 | 165.1 | 161.2 | 176.4 | -176.9 | 84.5 | 1.9 | 109.6 | A35 D36 Y472 R476 G566 W567 S568 | A35-R483 PolarHBondContact O-NH2 3.21Å; A35-R483 VanDerWaalsContact O-NH2 3.16Å; D36-R483 IonicContact OD1-CZ 3.11Å; D36-R483 IonicContact OD1-NE 3.46Å; D36-R483 IonicContact OD1-NH1 2.99Å; D36-R483 PolarHBondContact OD1-NH1 2.89Å; D36-R483 IonicContact OD1-NH2 2.8Å; D36-R483 PolarHBondContact OD1-NH2 3.38Å; D36-R483 IonicContact OD2-CZ 2.83Å; D36-R483 IonicContact OD2-NH1 2.7Å; D36-R483 PolarHBondContact OD2-NH1 3.44Å; Y472-R483 HydrophobicContact CD2-CB 4.31Å; Y472-R483 HydrophobicContact CD2-CG 3.76Å; Y472-R483 HydrophobicContact CG-CB 4.45Å; Y472-R483 HydrophobicContact CG-CG 4.32Å; Y472-R483 PolarHBondContact N-O 2.96Å; Y472-R483 PolarHBondContact O-N 3.2Å; Y472-R483 VanDerWaalsContact O-N 3.09Å; R476-R483 VanDerWaalsContact NH2-NH2 3.13Å; R483-G566 PolarHBondContact NH1-O 3.31Å; R483-G566 VanDerWaalsContact NH1-O 3.08Å; R483-W567 WeakPolarHBondContact CA-O 3.42Å; R483-W567 WeakPolarHBondContact CB-O 3.28Å; R483-W567 VanDerWaalsContact CG-O 3.31Å; R483-W567 WeakPolarHBondContact CG-O 3.18Å; R483-S568 PolarHBondContact NH1-OG 3.25Å |
| 484 | L | 95.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 134.9 | 174.4 | -164 | 59.7 | 0 | 0 | 0 | 109.3 | L469 L471 I508 I510 W567 F570 M589 | L469-L484 HydrophobicContact CB-CD1 4.4Å; L471-L484 HydrophobicContact CB-CD1 3.96Å; L471-L484 HydrophobicContact CD1-CD1 3.94Å; L484-I508 HydrophobicContact CD2-CB 4.47Å; L484-I508 HydrophobicContact CD2-CG2 3.27Å; L484-I508 HydrophobicContact CG-CG2 3.98Å; L484-I510 HydrophobicContact CD2-CD1 4.5Å; L484-I510 HydrophobicContact CD2-CG1 4.23Å; L484-W567 PolarHBondContact N-O 2.96Å; L484-W567 PolarHBondContact O-N 3.19Å; L484-F570 HydrophobicContact CB-CB 4.29Å; L484-F570 HydrophobicContact CB-CD2 3.67Å; L484-F570 HydrophobicContact CB-CE2 4.13Å; L484-F570 HydrophobicContact CB-CG 3.99Å; L484-F570 HydrophobicContact CD2-CD2 4.29Å; L484-F570 HydrophobicContact CD2-CE1 4.39Å; L484-F570 HydrophobicContact CD2-CE2 3.99Å; L484-F570 HydrophobicContact CD2-CZ 4.06Å; L484-M589 HydrophobicContact CD1-SD 3.62Å; L484-M589 HydrophobicContact CD2-CG 4.29Å; L484-M589 HydrophobicContact CD2-SD 3.84Å; L484-M589 HydrophobicContact CG-SD 4.43Å |
| 485 | A | 95.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 154.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L469 T470 D564 F565 | L469-A485 CarbonylContact C-O 3.57Å; L469-A485 VanDerWaalsContact CA-O 3.27Å; L469-A485 WeakPolarHBondContact CA-O 3.29Å; T470-A485 PolarHBondContact N-O 3.37Å; T470-A485 PolarHBondContact O-N 2.94Å; A485-D564 HydrophobicContact CB-CB 3.75Å; A485-F565 WeakPolarHBondContact CA-O 3.38Å |
| 486 | F | 97.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 144.7 | 177.3 | 177.6 | -89.6 | 0 | 0 | 0 | 110.3 | F467 L469 V488 V506 I508 F527 W544 F565 V591 F593 | F467-F486 HydrophobicContact CB-CE1 4.47Å; F467-F486 HydrophobicContact CB-CE2 3.75Å; F467-F486 HydrophobicContact CB-CZ 3.57Å; F467-F486 HydrophobicContact CD2-CD2 4.29Å; F467-F486 AromaticContact CD2-CE2 3.42Å; F467-F486 HydrophobicContact CD2-CE2 3.42Å; F467-F486 VanDerWaalsContact CD2-CE2 3.42Å; F467-F486 HydrophobicContact CD2-CZ 4.09Å; F467-F486 HydrophobicContact CE2-CE2 4.2Å; F467-F486 AromaticContact CG-CE2 3.78Å; F467-F486 HydrophobicContact CG-CE2 3.78Å; F467-F486 AromaticContact CG-CZ 3.95Å; F467-F486 HydrophobicContact CG-CZ 3.95Å; L469-F486 HydrophobicContact CD2-CD2 4.32Å; F486-V488 HydrophobicContact CE1-CG2 3.76Å; F486-V488 HydrophobicContact CZ-CG2 4.39Å; F486-V506 HydrophobicContact CB-CG1 4.17Å; F486-V506 HydrophobicContact CD1-CG2 4.05Å; F486-V506 HydrophobicContact CD2-CG1 3.55Å; F486-V506 HydrophobicContact CD2-CG2 4.12Å; F486-V506 HydrophobicContact CE1-CG2 3.89Å; F486-V506 HydrophobicContact CE2-CG1 3.99Å; F486-V506 HydrophobicContact CE2-CG2 3.94Å; F486-V506 HydrophobicContact CG-CG1 3.87Å; F486-V506 HydrophobicContact CG-CG2 4.16Å; F486-V506 HydrophobicContact CZ-CG2 3.83Å; F486-I508 HydrophobicContact CB-CD1 4.06Å; F486-F527 HydrophobicContact CB-CE1 4.08Å; F486-F527 HydrophobicContact CB-CZ 4.03Å; F486-F527 AromaticContact CD1-CZ 3.96Å; F486-F527 HydrophobicContact CD1-CZ 3.96Å; F486-F527 HydrophobicContact CG-CZ 4.17Å; F486-W544 AromaticContact CD1-CH2 3.94Å; F486-W544 HydrophobicContact CD1-CH2 3.94Å; F486-W544 AromaticContact CD1-CZ3 3.77Å; F486-W544 HydrophobicContact CD1-CZ3 3.77Å; F486-W544 HydrophobicContact CE1-CH2 4.46Å; F486-W544 AromaticContact CE1-CZ3 3.97Å; F486-W544 HydrophobicContact CE1-CZ3 3.97Å; F486-F565 PolarHBondContact N-O 3.29Å; F486-F565 PolarHBondContact O-N 3.04Å; F486-V591 HydrophobicContact CD2-CG2 4.01Å; F486-V591 HydrophobicContact CE2-CG2 4.11Å; F486-F593 HydrophobicContact CE1-CE2 4.34Å; F486-F593 HydrophobicContact CE1-CZ 4.49Å; F486-F593 HydrophobicContact CE2-CB 4.38Å; F486-F593 HydrophobicContact CE2-CD2 4.47Å; F486-F593 HydrophobicContact CE2-CG 4.32Å; F486-F593 HydrophobicContact CZ-CB 4.42Å; F486-F593 HydrophobicContact CZ-CD1 4.06Å; F486-F593 AromaticContact CZ-CD2 3.88Å; F486-F593 HydrophobicContact CZ-CD2 3.88Å; F486-F593 HydrophobicContact CZ-CE1 4.23Å; F486-F593 HydrophobicContact CZ-CE2 4.02Å; F486-F593 AromaticContact CZ-CG 3.87Å; F486-F593 HydrophobicContact CZ-CG 3.87Å; F486-F593 HydrophobicContact CZ-CZ 4.2Å |
| 487 | H | 96.9 | Very high | 91.8 | Very high | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 152.2 | 170.6 | 58.2 | -100.2 | 0 | 0 | 0 | 111.3 | F467 G468 T470 C489 R561 S562 D564 | F467-H487 CarbonylContact C-O 3.6Å; F467-H487 VanDerWaalsContact CA-O 3.3Å; F467-H487 WeakPolarHBondContact CA-O 3.35Å; F467-H487 WeakPolarHBondContact CB-O 3.42Å; G468-H487 PolarHBondContact N-O 3.05Å; G468-H487 PolarHBondContact O-N 3.31Å; T470-H487 PolarHBondContact OG1-CE1 3.15Å; T470-H487 PolarHBondContact OG1-ND1 3.32Å; T470-H487 VanDerWaalsContact OG1-ND1 3.14Å; H487-C489 PolarHBondContact CD2-SG 3.04Å; H487-R561 PolarHBondContact NE2-NE 2.74Å; H487-S562 WeakPolarHBondContact CA-OG 3.35Å; H487-D564 IonicContact CG-OD1 3.34Å; H487-D564 IonicContact ND1-OD1 3.3Å; H487-D564 PolarHBondContact ND1-OD1 3.21Å; H487-D564 VanDerWaalsContact ND1-OD1 3.13Å |
| 488 | V | 97.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 138.3 | 171.5 | -174.6 | 0 | 0 | 0 | 0 | 108.7 | G466 F486 W499 W544 P547 R561 S562 | G466-V488 VanDerWaalsContact O-CG1 3.25Å; G466-V488 WeakPolarHBondContact O-CG1 3.49Å; F486-V488 HydrophobicContact CE1-CG2 3.76Å; F486-V488 HydrophobicContact CZ-CG2 4.39Å; V488-W499 HydrophobicContact CG1-CH2 3.66Å; V488-W499 HydrophobicContact CG1-CZ3 3.9Å; V488-W544 HydrophobicContact CG2-CE3 3.88Å; V488-W544 HydrophobicContact CG2-CZ3 4.12Å; V488-P547 HydrophobicContact CB-CG 4.15Å; V488-P547 HydrophobicContact CG1-CG 3.86Å; V488-R561 WeakPolarHBondContact O-CA 3.23Å; V488-S562 PolarHBondContact N-OG 3.27Å; V488-S562 PolarHBondContact O-N 3.34Å |
| 489 | C | 96.5 | Very high | 94.1 | Very high | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.014 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 143.4 | -179.3 | -65.2 | 0 | 0 | 0 | 0 | 110.3 | R458 G466 H487 G491 F560 | R458-C489 HydrophobicContact CG-CB 3.99Å; G466-C489 PolarHBondContact O-N 2.76Å; H487-C489 PolarHBondContact CD2-SG 3.04Å; C489-G491 PolarHBondContact O-N 3.08Å; C489-F560 CarbonylContact C-O 3.31Å; C489-F560 VanDerWaalsContact CA-O 3.32Å; C489-F560 WeakPolarHBondContact CA-O 3.19Å |
| 490 | S | 97.4 | Very high | 95.2 | Very high | 18 Ų | 18 | 40.3 Ų | 40.3 | 13% | 0.126 | 22% | 0.219 | C | C | . | . | trans | -64.8 | 134.3 | 169.5 | 65.4 | 0 | 0 | 0 | 0 | 110.3 | R458 D494 F560 | R458-S490 PolarHBondContact NH1-O 3.26Å; S490-D494 WeakPolarHBondContact CA-OD2 3.32Å; S490-D494 WeakPolarHBondContact CB-OD2 3.4Å; S490-F560 PolarHBondContact N-O 3.03Å; S490-F560 PolarHBondContact OG-N 3.23Å | ||
| 491 | G | 94.1 | Very high | 95.7 | Very high | 17 Ų | 17 | 39 Ų | 39 | 18% | 0.175 | 21% | 0.205 | C | C | . | . | trans | -133.1 | 178.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113 | C489 N493 D494 | C489-G491 PolarHBondContact O-N 3.08Å; G491-N493 PolarHBondContact O-N 3.49Å; G491-D494 VanDerWaalsContact N-CG 3.25Å; G491-D494 PolarHBondContact N-OD1 2.7Å; G491-D494 PolarHBondContact N-OD2 3.13Å; G491-D494 VanDerWaalsContact O-CG 3.26Å; G491-D494 PolarHBondContact O-N 3.21Å | ||
| 492 | E | 93.4 | Very high | 95.9 | Very high | 168 Ų | 168 | 36.1 Ų | 36.1 | 79% | 0.785 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -24.7 | 178.7 | 62.4 | -172.1 | 167 | 0 | 0 | 113.2 | ||
| 493 | N | 95.9 | Very high | 96.1 | Very high | 50 Ų | 50 | 38.6 Ų | 38.6 | 27% | 0.267 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -12.4 | -177.1 | -56.7 | -43.6 | 0 | 0 | 0 | 113.4 | G464 G491 A495 I496 L497 | G464-N493 PolarHBondContact O-ND2 3.24Å; G464-N493 VanDerWaalsContact O-ND2 3.11Å; G491-N493 PolarHBondContact O-N 3.49Å; N493-A495 PolarHBondContact O-N 2.8Å; N493-I496 WeakPolarHBondContact O-CG1 3.34Å; N493-I496 PolarHBondContact O-N 2.89Å; N493-L497 HydrophobicContact CB-CD1 3.85Å; N493-L497 HydrophobicContact CB-CG 4.19Å; N493-L497 WeakPolarHBondContact O-CG 3.42Å; N493-L497 PolarHBondContact O-N 2.66Å |
| 494 | D | 96.3 | Very high | 96.3 | Very high | 3 Ų | 3 | 39.6 Ų | 39.6 | 2% | 0.016 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55 | -25.2 | -170.1 | -71.8 | 12.5 | 0 | 0 | 0 | 114.8 | S490 G491 I496 W499 R546 | S490-D494 WeakPolarHBondContact CA-OD2 3.32Å; S490-D494 WeakPolarHBondContact CB-OD2 3.4Å; G491-D494 VanDerWaalsContact N-CG 3.25Å; G491-D494 PolarHBondContact N-OD1 2.7Å; G491-D494 PolarHBondContact N-OD2 3.13Å; G491-D494 VanDerWaalsContact O-CG 3.26Å; G491-D494 PolarHBondContact O-N 3.21Å; D494-I496 VanDerWaalsContact C-N 3.32Å; D494-W499 HydrophobicContact CB-CZ2 4.34Å; D494-W499 PolarHBondContact O-NE1 3.19Å; D494-W499 VanDerWaalsContact O-NE1 3.09Å; D494-R546 IonicContact OD2-NE 2.67Å |
| 495 | A | 95 | Very high | 96.4 | Very high | 80 Ų | 80 | 40.3 Ų | 40.3 | 66% | 0.661 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -24 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | N493 | N493-A495 PolarHBondContact O-N 2.8Š|
| 496 | I | 96.1 | Very high | 96.5 | Very high | 148 Ų | 148 | 40.3 Ų | 40.3 | 76% | 0.759 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -106.9 | -16.2 | -179.5 | 61.9 | 162.8 | 0 | 0 | 0 | 113.2 | N493 D494 | N493-I496 WeakPolarHBondContact O-CG1 3.34Å; N493-I496 PolarHBondContact O-N 2.89Å; D494-I496 VanDerWaalsContact C-N 3.32Å |
| 497 | L | 97.3 | Very high | 96.5 | Very high | 28 Ų | 28 | 41.2 Ų | 41.2 | 15% | 0.147 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -74.7 | 153.4 | -179.5 | -65.3 | 173.8 | 0 | 0 | 0 | 112 | E463 Y465 N493 | E463-L497 WeakPolarHBondContact O-CD2 3.33Å; Y465-L497 HydrophobicContact CD1-CB 4.41Å; Y465-L497 HydrophobicContact CD1-CD1 3.63Å; Y465-L497 HydrophobicContact CD1-CG 4.49Å; Y465-L497 HydrophobicContact CD2-CD1 4.43Å; Y465-L497 HydrophobicContact CD2-CD2 4.48Å; Y465-L497 HydrophobicContact CE1-CB 3.72Å; Y465-L497 HydrophobicContact CE1-CD1 3.82Å; Y465-L497 HydrophobicContact CE1-CD2 4.49Å; Y465-L497 HydrophobicContact CE1-CG 4.21Å; Y465-L497 HydrophobicContact CE2-CD2 4.17Å; Y465-L497 HydrophobicContact CG-CD1 3.95Å; N493-L497 HydrophobicContact CB-CD1 3.85Å; N493-L497 HydrophobicContact CB-CG 4.19Å; N493-L497 WeakPolarHBondContact O-CG 3.42Å; N493-L497 PolarHBondContact O-N 2.66Å |
| 498 | E | 96.8 | Very high | 96.6 | Very high | 130 Ų | 130 | 41.1 Ų | 41.1 | 61% | 0.607 | 22% | 0.22 | S | C | * | . | trans | -79 | 138.5 | 176 | -172.3 | 173.4 | -174.9 | 0 | 0 | 110.8 | Y465 | Y465-E498 PolarHBondContact OH-N 3.26Å; Y465-E498 PolarHBondContact OH-O 3.43Å | ||
| 499 | W | 96.7 | Very high | 96.6 | Very high | 46 Ų | 46 | 41.6 Ų | 41.6 | 17% | 0.174 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -138.7 | 141.7 | 177.9 | -60.6 | 96 | 0 | 0 | 0 | 110.3 | Y465 V488 D494 V501 D545 R546 P547 | Y465-W499 AromaticContact CD1-CH2 3.67Å; Y465-W499 HydrophobicContact CD1-CH2 3.67Å; Y465-W499 AromaticContact CD1-CZ2 3.85Å; Y465-W499 HydrophobicContact CD1-CZ2 3.85Å; Y465-W499 HydrophobicContact CD1-CZ3 4.25Å; Y465-W499 HydrophobicContact CE1-CD2 4.38Å; Y465-W499 HydrophobicContact CE1-CE3 4.4Å; Y465-W499 AromaticContact CE1-CH2 3.87Å; Y465-W499 HydrophobicContact CE1-CH2 3.87Å; Y465-W499 AromaticContact CE1-CZ2 3.81Å; Y465-W499 HydrophobicContact CE1-CZ2 3.81Å; Y465-W499 HydrophobicContact CE1-CZ3 4.18Å; V488-W499 HydrophobicContact CG1-CH2 3.66Å; V488-W499 HydrophobicContact CG1-CZ3 3.9Å; D494-W499 HydrophobicContact CB-CZ2 4.34Å; D494-W499 PolarHBondContact O-NE1 3.19Å; D494-W499 VanDerWaalsContact O-NE1 3.09Å; W499-V501 HydrophobicContact CD2-CG2 4.32Å; W499-V501 HydrophobicContact CE3-CG2 3.44Å; W499-V501 VanDerWaalsContact CE3-CG2 3.44Å; W499-V501 HydrophobicContact CH2-CG2 4.07Å; W499-V501 HydrophobicContact CZ3-CG2 3.29Å; W499-D545 VanDerWaalsContact CE3-C 3.47Å; W499-R546 HydrophobicContact CB-CB 4.43Å; W499-R546 HydrophobicContact CD2-CB 3.79Å; W499-R546 HydrophobicContact CD2-CG 4.25Å; W499-R546 VanDerWaalsContact CE3-CA 3.49Å; W499-R546 HydrophobicContact CE3-CB 4.22Å; W499-R546 HydrophobicContact CG-CB 3.86Å; W499-R546 HydrophobicContact CG-CG 4.47Å; W499-R546 HydrophobicContact CZ2-CG 4.34Å; W499-P547 VanDerWaalsContact CH2-CD 3.41Å; W499-P547 HydrophobicContact CH2-CG 4.22Å; W499-P547 HydrophobicContact CZ3-CG 4.46Å |
| 500 | P | 96.6 | Very high | 96.7 | Very high | 24 Ų | 24 | 41.5 Ų | 41.5 | 16% | 0.156 | 22% | 0.222 | C | C | . | . | S | Bend | cis | -69.2 | 154.1 | -3.6 | 30.9 | -35.9 | 0 | 0 | 0 | 112.5 | E502 K531 V542 W544 D545 | P500-E502 PolarHBondContact O-N 3.34Å; P500-K531 HydrophobicContact CG-CD 4.32Å; P500-K531 HydrophobicContact CG-CG 3.79Å; P500-V542 HydrophobicContact CB-CB 4.37Å; P500-V542 HydrophobicContact CB-CG1 3.78Å; P500-V542 HydrophobicContact CG-CG1 4.3Å; P500-W544 CarbonylContact C-O 3.53Å; P500-W544 WeakPolarHBondContact CA-O 3.48Å; P500-W544 HydrophobicContact CB-CB 4.5Å; P500-W544 WeakPolarHBondContact CB-O 3.4Å; P500-D545 HydrophobicContact CB-CB 4.39Å |
| 501 | V | 96.7 | Very high | 96.8 | Very high | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.006 | 22% | 0.216 | C | C | . | . | trans | -72.7 | 115.5 | 178.3 | -164.7 | 0 | 0 | 0 | 0 | 109.2 | Y465 W499 R504 T529 W544 F593 | Y465-V501 HydrophobicContact CD1-CG2 3.69Å; Y465-V501 HydrophobicContact CE1-CB 4.34Å; Y465-V501 HydrophobicContact CE1-CG1 4.21Å; Y465-V501 HydrophobicContact CE1-CG2 3.27Å; Y465-V501 HydrophobicContact CE2-CG1 4.17Å; W499-V501 HydrophobicContact CD2-CG2 4.32Å; W499-V501 HydrophobicContact CE3-CG2 3.44Å; W499-V501 VanDerWaalsContact CE3-CG2 3.44Å; W499-V501 HydrophobicContact CH2-CG2 4.07Å; W499-V501 HydrophobicContact CZ3-CG2 3.29Å; V501-R504 HydrophobicContact CG1-CB 4.31Å; V501-R504 HydrophobicContact CG1-CG 4.06Å; V501-T529 WeakPolarHBondContact O-CB 3.01Å; V501-T529 PolarHBondContact O-OG1 3.15Å; V501-W544 HydrophobicContact CB-CB 4.32Å; V501-W544 PolarHBondContact N-O 3.32Å; V501-W544 WeakPolarHBondContact O-CB 3.48Å; V501-F593 HydrophobicContact CG1-CZ 3.8Å | ||
| 502 | E | 96.1 | Very high | 96.9 | Very high | 43 Ų | 43 | 40 Ų | 40 | 20% | 0.201 | 21% | 0.208 | C | C | . | . | trans | -117.9 | 155.6 | 179.7 | -68.2 | -175.7 | -91.2 | 0 | 0 | 111.1 | P500 R504 T529 K531 | P500-E502 PolarHBondContact O-N 3.34Å; E502-R504 WeakPolarHBondContact O-CD 2.97Å; E502-R504 PolarHBondContact O-N 3.03Å; E502-R504 VanDerWaalsContact O-N 3.08Å; E502-R504 PolarHBondContact O-NH1 2.8Å; E502-T529 VanDerWaalsContact C-OG1 3.32Å; E502-T529 WeakPolarHBondContact CA-OG1 3.24Å; E502-K531 HydrophobicContact CG-CD 4.5Å; E502-K531 HydrophobicContact CG-CG 4.04Å; E502-K531 WeakPolarHBondContact OE1-CE 3.35Å; E502-K531 IonicContact OE1-NZ 2.6Å; E502-K531 PolarHBondContact OE1-NZ 2.95Å; E502-K531 WeakPolarHBondContact OE2-CD 3.32Å; E502-K531 VanDerWaalsContact OE2-CG 3.28Å; E502-K531 WeakPolarHBondContact OE2-CG 3.49Å; E502-K531 IonicContact OE2-NZ 3.62Å | ||
| 503 | N | 96.9 | Very high | 97.1 | Very high | 51 Ų | 51 | 32 Ų | 32 | 27% | 0.273 | 17% | 0.171 | S | C | . | . | S | Bend | trans | 61.8 | 17.6 | 169.8 | -54.2 | -26.7 | 0 | 0 | 0 | 115.1 | L89 T529 I596 T597 | L89-N503 HydrophobicContact CD2-CB 3.58Å; L89-N503 WeakPolarHBondContact CD2-OD1 3.25Å; N503-T529 PolarHBondContact N-O 3.03Å; N503-T529 PolarHBondContact N-OG1 3.08Å; N503-I596 WeakPolarHBondContact O-CG1 3.35Å; N503-I596 PolarHBondContact O-N 2.87Å; N503-T597 WeakPolarHBondContact CB-OG1 3.3Å; N503-T597 PolarHBondContact ND2-OG1 2.91Å |
| 504 | R | 97.8 | Very high | 97 | Very high | 22 Ų | 22 | 32.3 Ų | 32.3 | 8% | 0.083 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 125 | 170.4 | -80.5 | 59.7 | 175.8 | -174.5 | 4.2 | 108.3 | E463 V501 E502 T528 T529 F593 E594 D595 | E463-R504 IonicContact OE1-CZ 3.38Å; E463-R504 IonicContact OE1-NE 2.75Å; E463-R504 IonicContact OE1-NH2 3.45Å; E463-R504 PolarHBondContact OE1-NH2 2.91Å; E463-R504 IonicContact OE2-CZ 3.5Å; E463-R504 IonicContact OE2-NE 3.53Å; E463-R504 PolarHBondContact OE2-NE 2.97Å; E463-R504 IonicContact OE2-NH2 3.49Å; V501-R504 HydrophobicContact CG1-CB 4.31Å; V501-R504 HydrophobicContact CG1-CG 4.06Å; E502-R504 WeakPolarHBondContact O-CD 2.97Å; E502-R504 PolarHBondContact O-N 3.03Å; E502-R504 VanDerWaalsContact O-N 3.08Å; E502-R504 PolarHBondContact O-NH1 2.8Å; R504-T528 WeakPolarHBondContact O-CA 3.48Å; R504-T529 PolarHBondContact N-OG1 3.19Å; R504-T529 PolarHBondContact O-N 3.24Å; R504-F593 HydrophobicContact CB-CD2 3.7Å; R504-F593 HydrophobicContact CB-CE2 3.2Å; R504-F593 HydrophobicContact CB-CZ 3.73Å; R504-F593 HydrophobicContact CG-CE2 4.06Å; R504-F593 HydrophobicContact CG-CZ 4.15Å; R504-E594 CarbonylContact C-O 3.54Å; R504-E594 VanDerWaalsContact CA-O 3.23Å; R504-E594 WeakPolarHBondContact CA-O 3.34Å; R504-D595 HydrophobicContact CG-CB 4.39Å |
| 505 | Q | 97.9 | Very high | 96.9 | Very high | 14 Ų | 14 | 32.8 Ų | 32.8 | 7% | 0.065 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 128.1 | 177.5 | -173.7 | 164 | 66.6 | 0 | 0 | 109.5 | N90 I507 V526 F527 F593 E594 I596 | N90-Q505 PolarHBondContact O-NE2 3.09Å; N90-Q505 VanDerWaalsContact O-NE2 3.13Å; N90-Q505 PolarHBondContact OD1-NE2 2.72Å; Q505-I507 HydrophobicContact CG-CG1 4.24Å; Q505-V526 VanDerWaalsContact CD-CG1 3.41Å; Q505-V526 HydrophobicContact CG-CG1 3.5Å; Q505-F527 CarbonylContact C-O 3.59Å; Q505-F527 WeakPolarHBondContact CA-O 3.32Å; Q505-F593 WeakPolarHBondContact O-CA 3.02Å; Q505-E594 PolarHBondContact N-O 3.43Å; Q505-E594 PolarHBondContact O-N 3.11Å; Q505-E594 VanDerWaalsContact O-N 3.08Å; Q505-I596 HydrophobicContact CB-CD1 3.76Å; Q505-I596 HydrophobicContact CB-CG1 4.01Å; Q505-I596 HydrophobicContact CB-CG2 4.04Å; Q505-I596 HydrophobicContact CG-CD1 4.42Å |
| 506 | V | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 123.9 | 172.1 | 179.1 | 0 | 0 | 0 | 0 | 107.9 | F486 I508 V526 F527 V591 D592 F593 | F486-V506 HydrophobicContact CB-CG1 4.17Å; F486-V506 HydrophobicContact CD1-CG2 4.05Å; F486-V506 HydrophobicContact CD2-CG1 3.55Å; F486-V506 HydrophobicContact CD2-CG2 4.12Å; F486-V506 HydrophobicContact CE1-CG2 3.89Å; F486-V506 HydrophobicContact CE2-CG1 3.99Å; F486-V506 HydrophobicContact CE2-CG2 3.94Å; F486-V506 HydrophobicContact CG-CG1 3.87Å; F486-V506 HydrophobicContact CG-CG2 4.16Å; F486-V506 HydrophobicContact CZ-CG2 3.83Å; V506-I508 HydrophobicContact CG1-CD1 4.28Å; V506-I508 HydrophobicContact CG1-CG1 3.77Å; V506-V526 WeakPolarHBondContact O-CA 3.28Å; V506-F527 HydrophobicContact CB-CD1 4Å; V506-F527 HydrophobicContact CB-CE1 3.61Å; V506-F527 HydrophobicContact CB-CE2 4.13Å; V506-F527 HydrophobicContact CB-CG 4.44Å; V506-F527 HydrophobicContact CB-CZ 3.67Å; V506-F527 HydrophobicContact CG1-CD1 4.33Å; V506-F527 HydrophobicContact CG1-CE1 3.67Å; V506-F527 HydrophobicContact CG1-CZ 3.99Å; V506-F527 HydrophobicContact CG2-CE1 4.04Å; V506-F527 HydrophobicContact CG2-CE2 3.84Å; V506-F527 HydrophobicContact CG2-CZ 3.54Å; V506-F527 PolarHBondContact N-O 3.01Å; V506-F527 PolarHBondContact O-N 2.9Å; V506-V591 HydrophobicContact CG1-CG2 4.44Å; V506-D592 VanDerWaalsContact CA-O 3.29Å; V506-D592 WeakPolarHBondContact CA-O 3.05Å; V506-F593 HydrophobicContact CG2-CD2 3.44Å; V506-F593 VanDerWaalsContact CG2-CD2 3.44Å; V506-F593 HydrophobicContact CG2-CE2 3.78Å; V506-F593 HydrophobicContact CG2-CG 4.44Å |
| 507 | I | 97.9 | Very high | 96.7 | Very high | 19 Ų | 19 | 23.6 Ų | 23.6 | 10% | 0.097 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 118.3 | 170.8 | -55.3 | 175.7 | 0 | 0 | 0 | 106.7 | Y97 Q505 V526 V591 D592 | Y97-I507 HydrophobicContact CD1-CD1 4.43Å; Y97-I507 HydrophobicContact CD2-CD1 4.27Å; Y97-I507 HydrophobicContact CE1-CG2 3.99Å; Y97-I507 HydrophobicContact CG-CD1 4.2Å; Q505-I507 HydrophobicContact CG-CG1 4.24Å; I507-V526 HydrophobicContact CB-CG2 4.44Å; I507-V526 HydrophobicContact CG1-CG1 4.03Å; I507-V526 HydrophobicContact CG1-CG2 4.02Å; I507-V526 HydrophobicContact CG2-CG2 4.13Å; I507-V591 CarbonylContact O-C 3.57Å; I507-V591 VanDerWaalsContact O-CA 3.29Å; I507-V591 WeakPolarHBondContact O-CA 2.97Å; I507-D592 HydrophobicContact CB-CB 4.25Å; I507-D592 PolarHBondContact N-O 2.54Å; I507-D592 VanDerWaalsContact N-O 3.08Å; I507-D592 PolarHBondContact O-N 3.44Å |
| 508 | I | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 129.2 | 174.2 | -43.8 | 178.4 | 0 | 0 | 0 | 107.8 | L469 L484 F486 V506 S524 M525 W567 F570 F590 | L469-I508 HydrophobicContact CD1-CG2 3.96Å; L469-I508 HydrophobicContact CD2-CD1 3.82Å; L469-I508 HydrophobicContact CD2-CG1 4.14Å; L469-I508 HydrophobicContact CD2-CG2 4.04Å; L484-I508 HydrophobicContact CD2-CB 4.47Å; L484-I508 HydrophobicContact CD2-CG2 3.27Å; L484-I508 HydrophobicContact CG-CG2 3.98Å; F486-I508 HydrophobicContact CB-CD1 4.06Å; V506-I508 HydrophobicContact CG1-CD1 4.28Å; V506-I508 HydrophobicContact CG1-CG1 3.77Å; I508-S524 CarbonylContact O-C 3.49Å; I508-S524 VanDerWaalsContact O-CA 3.31Å; I508-S524 WeakPolarHBondContact O-CA 3.43Å; I508-M525 PolarHBondContact N-O 2.87Å; I508-M525 PolarHBondContact O-N 3.08Å; I508-W567 HydrophobicContact CD1-CZ3 3.86Å; I508-W567 HydrophobicContact CG1-CZ3 4.36Å; I508-F570 HydrophobicContact CB-CE2 4.13Å; I508-F570 HydrophobicContact CB-CZ 4.27Å; I508-F570 HydrophobicContact CG2-CE2 4.3Å; I508-F570 HydrophobicContact CG2-CZ 4.29Å; I508-F570 WeakPolarHBondContact O-CZ 3.05Å; I508-F590 WeakPolarHBondContact CA-O 3.45Å |
| 509 | T | 98 | Very high | 96.5 | Very high | 9 Ų | 9 | 23.6 Ų | 23.6 | 6% | 0.055 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 126.8 | -177.4 | -57.7 | 0 | 0 | 0 | 0 | 110.6 | S523 S524 M589 F590 | T509-S523 CarbonylContact C-O 3.6Å; T509-S523 VanDerWaalsContact CA-O 3.31Å; T509-S523 WeakPolarHBondContact CA-O 3.26Å; T509-S524 WeakPolarHBondContact CG2-OG 3.45Å; T509-S524 PolarHBondContact OG1-OG 2.85Å; T509-S524 VanDerWaalsContact OG1-OG 3.04Å; T509-M589 CarbonylContact O-C 3.54Å; T509-M589 VanDerWaalsContact O-CA 3.25Å; T509-M589 WeakPolarHBondContact O-CA 3.48Å; T509-F590 PolarHBondContact N-O 2.97Å; T509-F590 PolarHBondContact O-N 2.83Å |
| 510 | I | 98.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 118.1 | 161.5 | -62.6 | 174.5 | 0 | 0 | 0 | 107.2 | L484 D512 S522 S523 F570 I571 F581 L587 M589 | L484-I510 HydrophobicContact CD2-CD1 4.5Å; L484-I510 HydrophobicContact CD2-CG1 4.23Å; I510-D512 PolarHBondContact O-N 3.27Å; I510-S522 WeakPolarHBondContact O-CA 3.46Å; I510-S522 WeakPolarHBondContact O-CB 3.34Å; I510-S523 PolarHBondContact N-O 3.46Å; I510-S523 PolarHBondContact O-N 2.85Å; I510-F570 HydrophobicContact CB-CE1 4.25Å; I510-F570 HydrophobicContact CD1-CD1 3.44Å; I510-F570 VanDerWaalsContact CD1-CD1 3.44Å; I510-F570 HydrophobicContact CD1-CE1 3.58Å; I510-F570 HydrophobicContact CD1-CG 4.45Å; I510-F570 HydrophobicContact CG1-CD1 4.02Å; I510-F570 HydrophobicContact CG1-CE1 3.59Å; I510-F570 HydrophobicContact CG1-CZ 4.42Å; I510-I571 HydrophobicContact CD1-CB 4.4Å; I510-I571 HydrophobicContact CD1-CG2 3.57Å; I510-F581 HydrophobicContact CG2-CD1 3.8Å; I510-F581 HydrophobicContact CG2-CE1 4.39Å; I510-L587 HydrophobicContact CG2-CD1 3.61Å; I510-M589 HydrophobicContact CG1-CG 3.94Å |
| 511 | L | 97.9 | Very high | 96.6 | Very high | 3 Ų | 3 | 21 Ų | 21 | 2% | 0.016 | 10% | 0.1 | C | C | . | . | trans | -73 | 124.7 | -174.1 | 178.6 | 66.1 | 0 | 0 | 0 | 111.1 | I390 Q513 I588 F590 | I390-L511 HydrophobicContact CD1-CD2 3.9Å; L511-Q513 HydrophobicContact CD2-CG 3.93Å; L511-Q513 HydrophobicContact CG-CG 4.01Å; L511-Q513 PolarHBondContact O-N 3.49Å; L511-I588 HydrophobicContact CB-CB 4.22Å; L511-I588 HydrophobicContact CB-CG2 4.34Å; L511-I588 HydrophobicContact CD2-CB 4.24Å; L511-I588 HydrophobicContact CD2-CD1 4.4Å; L511-I588 HydrophobicContact CD2-CG2 4.06Å; L511-I588 PolarHBondContact N-O 3.37Å; L511-F590 HydrophobicContact CB-CE2 4.44Å; L511-F590 HydrophobicContact CB-CZ 4.42Å; L511-F590 HydrophobicContact CD1-CE2 3.98Å; L511-F590 HydrophobicContact CD1-CZ 4.3Å; L511-F590 HydrophobicContact CD2-CE1 4.42Å; L511-F590 HydrophobicContact CD2-CE2 4.24Å; L511-F590 HydrophobicContact CD2-CZ 3.71Å; L511-F590 HydrophobicContact CG-CE2 4.45Å; L511-F590 HydrophobicContact CG-CZ 4.37Å | ||
| 512 | D | 97.6 | Very high | 96.6 | Very high | 1 Ų | 1 | 21.7 Ų | 21.7 | 1% | 0.005 | 10% | 0.104 | C | C | . | . | trans | -75.9 | 112.4 | 156.7 | -177.9 | 11.4 | 0 | 0 | 0 | 107.9 | I510 E514 R520 M521 S522 R579 S580 F581 | I510-D512 PolarHBondContact O-N 3.27Å; D512-E514 PolarHBondContact O-N 3.44Å; D512-R520 HydrophobicContact CB-CB 4.41Å; D512-R520 VanDerWaalsContact O-CD 3.26Å; D512-R520 WeakPolarHBondContact O-CD 3.35Å; D512-R520 VanDerWaalsContact O-CG 3.23Å; D512-R520 WeakPolarHBondContact O-CG 3.3Å; D512-M521 PolarHBondContact OD2-N 2.85Å; D512-S522 PolarHBondContact N-OG 2.85Å; D512-S522 VanDerWaalsContact N-OG 3.1Å; D512-R579 IonicContact OD2-CZ 2.89Å; D512-R579 IonicContact OD2-NE 3.21Å; D512-R579 PolarHBondContact OD2-NE 3.02Å; D512-R579 IonicContact OD2-NH2 3.95Å; D512-S580 WeakPolarHBondContact OD1-CA 3.26Å; D512-S580 WeakPolarHBondContact OD1-CB 3Å; D512-S580 PolarHBondContact OD1-N 3.22Å; D512-F581 HydrophobicContact CB-CD1 4.23Å; D512-F581 HydrophobicContact CB-CE1 3.92Å; D512-F581 HydrophobicContact CB-CZ 4.31Å | ||
| 513 | Q | 96.6 | Very high | 96.6 | Very high | 1 Ų | 1 | 19.9 Ų | 19.9 | 1% | 0.005 | 10% | 0.097 | C | C | . | . | trans | -83.5 | 29.7 | -172.8 | -53.1 | 173.7 | 67.9 | 0 | 0 | 112.6 | L511 P515 S580 F581 K583 D586 I588 | L511-Q513 HydrophobicContact CD2-CG 3.93Å; L511-Q513 HydrophobicContact CG-CG 4.01Å; L511-Q513 PolarHBondContact O-N 3.49Å; Q513-P515 WeakPolarHBondContact O-CD 3.16Å; Q513-S580 VanDerWaalsContact C-CB 3.5Å; Q513-S580 WeakPolarHBondContact CB-O 3.4Å; Q513-S580 VanDerWaalsContact CG-O 3.29Å; Q513-S580 WeakPolarHBondContact CG-O 3.42Å; Q513-S580 PolarHBondContact N-O 3.43Å; Q513-F581 PolarHBondContact NE2-O 2.96Å; Q513-K583 HydrophobicContact CB-CB 3.89Å; Q513-K583 HydrophobicContact CB-CD 3.7Å; Q513-K583 HydrophobicContact CB-CG 4.42Å; Q513-K583 HydrophobicContact CG-CB 4.3Å; Q513-K583 WeakPolarHBondContact O-CD 3.4Å; Q513-K583 PolarHBondContact O-NZ 2.9Å; Q513-D586 PolarHBondContact NE2-O 3.49Å; Q513-I588 HydrophobicContact CG-CD1 4.34Å; Q513-I588 VanDerWaalsContact OE1-CD1 3.23Å | ||
| 514 | E | 95.1 | Very high | 96.5 | Very high | 56 Ų | 56 | 18.1 Ų | 18.1 | 26% | 0.262 | 9% | 0.088 | S | C | . | . | trans | -56.9 | 124.5 | 169.3 | 172.4 | 53.9 | -134.8 | 0 | 0 | 109.2 | D512 D516 N519 R520 | D512-E514 PolarHBondContact O-N 3.44Å; E514-D516 PolarHBondContact O-N 2.78Å; E514-N519 HydrophobicContact CG-CB 3.81Å; E514-R520 HydrophobicContact CB-CG 3.89Å; E514-R520 WeakPolarHBondContact O-CG 3.33Å; E514-R520 PolarHBondContact O-NE 3.02Å | ||
| 515 | P | 93.4 | Very high | 96.4 | Very high | 13 Ų | 13 | 17.6 Ų | 17.6 | 8% | 0.084 | 9% | 0.087 | C | C | . | . | S | Bend | trans | -50.3 | -51.1 | -178.4 | -34.1 | 38.3 | 0 | 0 | 0 | 113.2 | H268 T270 T303 D423 Q513 V517 | H268-P515 PolarHBondContact CE1-O 3.39Å; T270-P515 HydrophobicContact CG2-CB 3.76Å; T303-P515 HydrophobicContact CG2-CB 4.02Å; T303-P515 HydrophobicContact CG2-CG 3.62Å; D423-P515 WeakPolarHBondContact OD1-CB 3.37Å; Q513-P515 WeakPolarHBondContact O-CD 3.16Å; P515-V517 PolarHBondContact O-N 3.21Å |
| 516 | D | 93.5 | Very high | 96.3 | Very high | 22 Ų | 22 | 17.4 Ų | 17.4 | 12% | 0.118 | 9% | 0.087 | C | C | . | . | S | Bend | trans | -77.6 | 107.8 | 177.4 | -168.2 | -21.8 | 0 | 0 | 0 | 110.4 | E514 R518 N519 R520 | E514-D516 PolarHBondContact O-N 2.78Å; D516-R518 PolarHBondContact O-N 2.92Å; D516-R518 WeakPolarHBondContact OD1-CB 3.43Å; D516-R518 WeakPolarHBondContact OD1-CG 3.31Å; D516-R518 IonicContact OD1-CZ 3.69Å; D516-R518 PolarHBondContact OD1-N 2.89Å; D516-R518 IonicContact OD1-NE 3.86Å; D516-R518 PolarHBondContact OD1-NE 3.09Å; D516-R518 IonicContact OD1-NH2 2.6Å; D516-R518 IonicContact OD2-CZ 2.7Å; D516-R518 IonicContact OD2-NE 3.42Å; D516-R518 PolarHBondContact OD2-NE 2.74Å; D516-R518 IonicContact OD2-NH2 3.24Å; D516-R518 PolarHBondContact OD2-NH2 3.16Å; D516-N519 PolarHBondContact O-N 3.41Å; D516-R520 PolarHBondContact O-N 3.43Å |
| 517 | V | 94.5 | Very high | 96.2 | Very high | 12 Ų | 12 | 17.6 Ų | 17.6 | 7% | 0.073 | 9% | 0.087 | C | C | . | . | G | 310 helix | trans | -54.7 | -23.8 | -179.2 | 69.6 | 0 | 0 | 0 | 0 | 113.8 | L104 L265 T425 P515 N519 | L104-V517 HydrophobicContact CD1-CG1 4.31Å; L104-V517 HydrophobicContact CD1-CG2 4.48Å; L104-V517 HydrophobicContact CD2-CG2 4.13Å; L265-V517 HydrophobicContact CD1-CG1 3.67Å; L265-V517 HydrophobicContact CD2-CG1 4.25Å; T425-V517 HydrophobicContact CG2-CB 3.89Å; T425-V517 HydrophobicContact CG2-CG1 3.65Å; T425-V517 HydrophobicContact CG2-CG2 4.24Å; P515-V517 PolarHBondContact O-N 3.21Å; V517-N519 VanDerWaalsContact C-N 3.28Å; V517-N519 PolarHBondContact O-N 2.61Å |
| 518 | R | 94.2 | Very high | 96.2 | Very high | 103 Ų | 103 | 17.4 Ų | 17.4 | 39% | 0.389 | 9% | 0.087 | S | C | . | . | G | 310 helix | trans | -70.3 | -27.6 | 177.8 | -60.9 | 172.7 | -68 | 173.6 | 2.4 | 112.4 | K105 L250 L265 D516 | K105-R518 WeakPolarHBondContact CE-O 3.23Å; L250-R518 VanDerWaalsContact CD1-O 3.24Å; L250-R518 WeakPolarHBondContact CD1-O 3.13Å; L265-R518 HydrophobicContact CD2-CG 3.94Å; D516-R518 PolarHBondContact O-N 2.92Å; D516-R518 WeakPolarHBondContact OD1-CB 3.43Å; D516-R518 WeakPolarHBondContact OD1-CG 3.31Å; D516-R518 IonicContact OD1-CZ 3.69Å; D516-R518 PolarHBondContact OD1-N 2.89Å; D516-R518 IonicContact OD1-NE 3.86Å; D516-R518 PolarHBondContact OD1-NE 3.09Å; D516-R518 IonicContact OD1-NH2 2.6Å; D516-R518 IonicContact OD2-CZ 2.7Å; D516-R518 IonicContact OD2-NE 3.42Å; D516-R518 PolarHBondContact OD2-NE 2.74Å; D516-R518 IonicContact OD2-NH2 3.24Å; D516-R518 PolarHBondContact OD2-NH2 3.16Å |
| 519 | N | 95.4 | Very high | 96.1 | Very high | 56 Ų | 56 | 17.4 Ų | 17.4 | 30% | 0.299 | 9% | 0.087 | S | C | . | . | G | 310 helix | trans | -99.7 | -1.3 | -177 | -61.5 | -30.2 | 0 | 0 | 0 | 113.3 | E514 D516 V517 M521 R579 | E514-N519 HydrophobicContact CG-CB 3.81Å; D516-N519 PolarHBondContact O-N 3.41Å; V517-N519 VanDerWaalsContact C-N 3.28Å; V517-N519 PolarHBondContact O-N 2.61Å; N519-M521 PolarHBondContact O-N 2.84Å; N519-R579 PolarHBondContact O-NH2 2.93Å |
| 520 | R | 96.4 | Very high | 96 | Very high | 14 Ų | 14 | 18.6 Ų | 18.6 | 5% | 0.053 | 10% | 0.096 | C | C | . | . | trans | -65 | 127.1 | 175.8 | -68.7 | -177.6 | -172.5 | 166.1 | 4.3 | 110.5 | K105 D512 E514 D516 | K105-R520 PolarHBondContact NZ-O 3.38Å; D512-R520 HydrophobicContact CB-CB 4.41Å; D512-R520 VanDerWaalsContact O-CD 3.26Å; D512-R520 WeakPolarHBondContact O-CD 3.35Å; D512-R520 VanDerWaalsContact O-CG 3.23Å; D512-R520 WeakPolarHBondContact O-CG 3.3Å; E514-R520 HydrophobicContact CB-CG 3.89Å; E514-R520 WeakPolarHBondContact O-CG 3.33Å; E514-R520 PolarHBondContact O-NE 3.02Å; D516-R520 PolarHBondContact O-N 3.43Å | ||
| 521 | M | 97.3 | Very high | 95.8 | Very high | 2 Ų | 2 | 23.5 Ų | 23.5 | 1% | 0.01 | 12% | 0.117 | C | C | . | . | trans | -112 | 58.6 | 173.3 | -60.8 | 178.3 | 73.8 | 0 | 0 | 110.1 | Q241 L243 D244 F245 D512 N519 R579 F581 | Q241-M521 VanDerWaalsContact CD-CE 3.49Å; Q241-M521 HydrophobicContact CG-CE 4.3Å; Q241-M521 VanDerWaalsContact NE2-CE 3.32Å; L243-M521 HydrophobicContact CB-CB 4.31Å; D244-M521 HydrophobicContact CB-CB 4.1Å; D244-M521 HydrophobicContact CB-CG 4.22Å; D244-M521 WeakPolarHBondContact O-CE 3.09Å; F245-M521 WeakPolarHBondContact O-CG 3.38Å; D512-M521 PolarHBondContact OD2-N 2.85Å; N519-M521 PolarHBondContact O-N 2.84Å; M521-R579 PolarHBondContact SD-NH1 3.28Å; M521-R579 VanDerWaalsContact SD-NH1 3.42Å; M521-F581 VanDerWaalsContact O-CZ 3.31Å; M521-F581 WeakPolarHBondContact O-CZ 3.27Å | ||
| 522 | S | 97.3 | Very high | 95.4 | Very high | 15 Ų | 15 | 30.5 Ų | 30.5 | 11% | 0.105 | 15% | 0.154 | C | C | . | . | trans | -61.9 | 145.4 | -178.6 | -60.7 | 0 | 0 | 0 | 0 | 111.9 | I510 D512 | I510-S522 WeakPolarHBondContact O-CA 3.46Å; I510-S522 WeakPolarHBondContact O-CB 3.34Å; D512-S522 PolarHBondContact N-OG 2.85Å; D512-S522 VanDerWaalsContact N-OG 3.1Å | ||
| 523 | S | 96.3 | Very high | 95.2 | Very high | 5 Ų | 5 | 32.2 Ų | 32.2 | 4% | 0.035 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 113.3 | 177 | -173.1 | 0 | 0 | 0 | 0 | 109.7 | T509 I510 F570 | T509-S523 CarbonylContact C-O 3.6Å; T509-S523 VanDerWaalsContact CA-O 3.31Å; T509-S523 WeakPolarHBondContact CA-O 3.26Å; I510-S523 PolarHBondContact N-O 3.46Å; I510-S523 PolarHBondContact O-N 2.85Å; S523-F570 WeakPolarHBondContact O-CE1 3.41Å; S523-F570 PolarHBondContact OG-O 2.85Å |
| 524 | S | 95.8 | Very high | 95 | Very high | 14 Ų | 14 | 35.2 Ų | 35.2 | 10% | 0.098 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 131.8 | -176.6 | -54.9 | 0 | 0 | 0 | 0 | 112.1 | Y97 I508 T509 | Y97-S524 PolarHBondContact OH-OG 2.77Å; Y97-S524 VanDerWaalsContact OH-OG 3.09Å; I508-S524 CarbonylContact O-C 3.49Å; I508-S524 VanDerWaalsContact O-CA 3.31Å; I508-S524 WeakPolarHBondContact O-CA 3.43Å; T509-S524 WeakPolarHBondContact CG2-OG 3.45Å; T509-S524 PolarHBondContact OG1-OG 2.85Å; T509-S524 VanDerWaalsContact OG1-OG 3.04Å |
| 525 | M | 94.9 | Very high | 94.6 | Very high | 10 Ų | 10 | 32.8 Ų | 32.8 | 5% | 0.049 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 142 | 175 | -60.8 | -67 | -177.1 | 0 | 0 | 110.4 | Y149 I508 W567 F570 | Y149-M525 HydrophobicContact CD1-SD 3.87Å; Y149-M525 HydrophobicContact CE1-SD 3.87Å; I508-M525 PolarHBondContact N-O 2.87Å; I508-M525 PolarHBondContact O-N 3.08Å; M525-W567 HydrophobicContact CB-CD2 3.71Å; M525-W567 HydrophobicContact CB-CE3 3.61Å; M525-W567 HydrophobicContact CB-CH2 3.31Å; M525-W567 HydrophobicContact CB-CZ2 3.52Å; M525-W567 HydrophobicContact CB-CZ3 3.41Å; M525-W567 VanDerWaalsContact CB-CZ3 3.41Å; M525-W567 HydrophobicContact CG-CD2 3.95Å; M525-W567 HydrophobicContact CG-CE3 4.12Å; M525-W567 HydrophobicContact CG-CG 4.3Å; M525-W567 HydrophobicContact CG-CZ2 4.47Å; M525-W567 HydrophobicContact CG-CZ3 4.39Å; M525-F570 HydrophobicContact CB-CD2 4.29Å; M525-F570 HydrophobicContact CB-CE2 3.61Å; M525-F570 HydrophobicContact CB-CZ 4.1Å; M525-F570 HydrophobicContact CG-CD2 3.69Å; M525-F570 HydrophobicContact CG-CE1 4.39Å; M525-F570 HydrophobicContact CG-CE2 3.36Å; M525-F570 HydrophobicContact CG-CG 4.36Å; M525-F570 HydrophobicContact CG-CZ 3.76Å |
| 526 | V | 95.8 | Very high | 94.3 | Very high | 11 Ų | 11 | 36.8 Ų | 36.8 | 7% | 0.067 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 132.8 | -170.1 | -172.8 | 0 | 0 | 0 | 0 | 110.9 | N90 Y97 Q505 V506 I507 | N90-V526 PolarHBondContact ND2-O 2.91Å; Y97-V526 HydrophobicContact CD1-CG2 4.09Å; Y97-V526 HydrophobicContact CE1-CG2 4.3Å; Q505-V526 VanDerWaalsContact CD-CG1 3.41Å; Q505-V526 HydrophobicContact CG-CG1 3.5Å; V506-V526 WeakPolarHBondContact O-CA 3.28Å; I507-V526 HydrophobicContact CB-CG2 4.44Å; I507-V526 HydrophobicContact CG1-CG1 4.03Å; I507-V526 HydrophobicContact CG1-CG2 4.02Å; I507-V526 HydrophobicContact CG2-CG2 4.13Å |
| 527 | F | 96.4 | Very high | 93.8 | Very high | 4 Ų | 4 | 39 Ų | 39 | 2% | 0.018 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 165.6 | 166.6 | 74.7 | -91.7 | 0 | 0 | 0 | 111.7 | F37 N90 F486 Q505 V506 T529 W544 F565 W567 | F37-F527 HydrophobicContact CE1-CB 4.41Å; F37-F527 HydrophobicContact CE2-CB 3.86Å; F37-F527 AromaticContact CE2-CD1 3.84Å; F37-F527 HydrophobicContact CE2-CD1 3.84Å; F37-F527 AromaticContact CE2-CG 3.9Å; F37-F527 HydrophobicContact CE2-CG 3.9Å; F37-F527 HydrophobicContact CZ-CB 3.39Å; F37-F527 HydrophobicContact CZ-CD1 4.21Å; F37-F527 HydrophobicContact CZ-CD2 4.4Å; F37-F527 AromaticContact CZ-CG 3.78Å; F37-F527 HydrophobicContact CZ-CG 3.78Å; N90-F527 WeakPolarHBondContact OD1-CA 3.27Å; F486-F527 HydrophobicContact CB-CE1 4.08Å; F486-F527 HydrophobicContact CB-CZ 4.03Å; F486-F527 AromaticContact CD1-CZ 3.96Å; F486-F527 HydrophobicContact CD1-CZ 3.96Å; F486-F527 HydrophobicContact CG-CZ 4.17Å; Q505-F527 CarbonylContact C-O 3.59Å; Q505-F527 WeakPolarHBondContact CA-O 3.32Å; V506-F527 HydrophobicContact CB-CD1 4Å; V506-F527 HydrophobicContact CB-CE1 3.61Å; V506-F527 HydrophobicContact CB-CE2 4.13Å; V506-F527 HydrophobicContact CB-CG 4.44Å; V506-F527 HydrophobicContact CB-CZ 3.67Å; V506-F527 HydrophobicContact CG1-CD1 4.33Å; V506-F527 HydrophobicContact CG1-CE1 3.67Å; V506-F527 HydrophobicContact CG1-CZ 3.99Å; V506-F527 HydrophobicContact CG2-CE1 4.04Å; V506-F527 HydrophobicContact CG2-CE2 3.84Å; V506-F527 HydrophobicContact CG2-CZ 3.54Å; V506-F527 PolarHBondContact N-O 3.01Å; V506-F527 PolarHBondContact O-N 2.9Å; F527-T529 HydrophobicContact CE2-CG2 4.21Å; F527-W544 HydrophobicContact CD2-CZ2 4.42Å; F527-W544 AromaticContact CE2-CH2 3.72Å; F527-W544 HydrophobicContact CE2-CH2 3.72Å; F527-W544 AromaticContact CE2-CZ2 3.46Å; F527-W544 HydrophobicContact CE2-CZ2 3.46Å; F527-W544 VanDerWaalsContact CE2-CZ2 3.46Å; F527-W544 AromaticContact CZ-CH2 3.75Å; F527-W544 HydrophobicContact CZ-CH2 3.75Å; F527-W544 AromaticContact CZ-CZ2 3.97Å; F527-W544 HydrophobicContact CZ-CZ2 3.97Å; F527-F565 HydrophobicContact CD1-CD1 4.42Å; F527-F565 HydrophobicContact CD2-CD1 4.1Å; F527-F565 AromaticContact CD2-CE1 3.93Å; F527-F565 HydrophobicContact CD2-CE1 3.93Å; F527-F565 HydrophobicContact CE1-CD1 4.14Å; F527-F565 AromaticContact CE2-CD1 3.81Å; F527-F565 HydrophobicContact CE2-CD1 3.81Å; F527-F565 HydrophobicContact CE2-CE1 4.09Å; F527-F565 HydrophobicContact CG-CD1 4.42Å; F527-F565 HydrophobicContact CG-CE1 4.2Å; F527-F565 AromaticContact CZ-CD1 3.83Å; F527-F565 HydrophobicContact CZ-CD1 3.83Å; F527-F565 HydrophobicContact CZ-CE1 4.47Å; F527-W567 HydrophobicContact CB-CH2 4.39Å; F527-W567 HydrophobicContact CB-CZ2 4.33Å; F527-W567 AromaticContact CD1-CH2 3.47Å; F527-W567 HydrophobicContact CD1-CH2 3.47Å; F527-W567 VanDerWaalsContact CD1-CH2 3.47Å; F527-W567 HydrophobicContact CD1-CZ2 4.11Å; F527-W567 HydrophobicContact CD1-CZ3 4.04Å; F527-W567 HydrophobicContact CE1-CH2 4.25Å; F527-W567 HydrophobicContact CE1-CZ3 4.39Å; F527-W567 HydrophobicContact CG-CH2 4.41Å |
| 528 | T | 97.2 | Very high | 93.5 | Very high | 14 Ų | 14 | 39.7 Ų | 39.7 | 9% | 0.086 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 135 | 175.5 | -57.7 | 0 | 0 | 0 | 0 | 110.3 | L89 N90 R504 H533 I596 | L89-T528 HydrophobicContact CD2-CG2 4.17Å; L89-T528 HydrophobicContact CG-CG2 4.43Å; N90-T528 VanDerWaalsContact CA-OG1 3.26Å; N90-T528 WeakPolarHBondContact CA-OG1 3.46Å; N90-T528 WeakPolarHBondContact CB-OG1 3.15Å; N90-T528 PolarHBondContact OD1-N 3.16Å; N90-T528 VanDerWaalsContact OD1-N 3.14Å; N90-T528 PolarHBondContact OD1-OG1 2.73Å; R504-T528 WeakPolarHBondContact O-CA 3.48Å; T528-H533 PolarHBondContact O-CE1 2.86Å; T528-I596 HydrophobicContact CG2-CD1 4.22Å; T528-I596 HydrophobicContact CG2-CG1 4.4Å |
| 529 | T | 97.3 | Very high | 93.2 | Very high | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.006 | 23% | 0.231 | C | C | . | . | trans | -64.3 | 138.4 | 178.5 | 63 | 0 | 0 | 0 | 0 | 111.1 | V501 E502 N503 R504 F527 W544 F593 | V501-T529 WeakPolarHBondContact O-CB 3.01Å; V501-T529 PolarHBondContact O-OG1 3.15Å; E502-T529 VanDerWaalsContact C-OG1 3.32Å; E502-T529 WeakPolarHBondContact CA-OG1 3.24Å; N503-T529 PolarHBondContact N-O 3.03Å; N503-T529 PolarHBondContact N-OG1 3.08Å; R504-T529 PolarHBondContact N-OG1 3.19Å; R504-T529 PolarHBondContact O-N 3.24Å; F527-T529 HydrophobicContact CE2-CG2 4.21Å; T529-W544 HydrophobicContact CG2-CD2 3.85Å; T529-W544 HydrophobicContact CG2-CE3 4.28Å; T529-W544 HydrophobicContact CG2-CG 4.12Å; T529-W544 HydrophobicContact CG2-CZ2 4.32Å; T529-F593 HydrophobicContact CG2-CE2 3.79Å; T529-F593 HydrophobicContact CG2-CZ 4.29Å | ||
| 530 | S | 94.7 | Very high | 92.7 | Very high | 34 Ų | 34 | 43.8 Ų | 43.8 | 24% | 0.238 | 24% | 0.242 | C | C | . | . | trans | -150.8 | 146.8 | -173.9 | 178.1 | 0 | 0 | 0 | 0 | 111.5 | L532 H533 W544 | S530-L532 PolarHBondContact O-N 3.23Å; S530-L532 VanDerWaalsContact O-N 3.12Å; S530-L532 PolarHBondContact OG-N 2.82Å; S530-H533 WeakPolarHBondContact O-CB 3.47Å; S530-H533 PolarHBondContact O-N 3.07Å; S530-W544 VanDerWaalsContact O-CD1 3.27Å | ||
| 531 | K | 94.3 | Very high | 92.5 | Very high | 103 Ų | 103 | 45.9 Ų | 45.9 | 45% | 0.448 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -18.2 | 169.6 | -80.1 | 173.2 | 177.4 | 145.3 | 0 | 114.1 | P500 E502 H533 V542 | P500-K531 HydrophobicContact CG-CD 4.32Å; P500-K531 HydrophobicContact CG-CG 3.79Å; E502-K531 HydrophobicContact CG-CD 4.5Å; E502-K531 HydrophobicContact CG-CG 4.04Å; E502-K531 WeakPolarHBondContact OE1-CE 3.35Å; E502-K531 IonicContact OE1-NZ 2.6Å; E502-K531 PolarHBondContact OE1-NZ 2.95Å; E502-K531 WeakPolarHBondContact OE2-CD 3.32Å; E502-K531 VanDerWaalsContact OE2-CG 3.28Å; E502-K531 WeakPolarHBondContact OE2-CG 3.49Å; E502-K531 IonicContact OE2-NZ 3.62Å; K531-H533 PolarHBondContact O-N 2.78Å; K531-V542 HydrophobicContact CB-CG2 4.43Å; K531-V542 HydrophobicContact CG-CG2 4.41Å |
| 532 | L | 90.6 | Very high | 92.3 | Very high | 149 Ų | 149 | 47.1 Ų | 47.1 | 78% | 0.78 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | -16.4 | 175.9 | -60.7 | 178.9 | 0 | 0 | 0 | 112.8 | S530 T534 | S530-L532 PolarHBondContact O-N 3.23Å; S530-L532 VanDerWaalsContact O-N 3.12Å; S530-L532 PolarHBondContact OG-N 2.82Å; L532-T534 PolarHBondContact O-N 3.35Å |
| 533 | H | 92.5 | Very high | 92.2 | Very high | 38 Ų | 38 | 46.5 Ų | 46.5 | 18% | 0.176 | 26% | 0.26 | C | S | . | . | trans | -80.9 | 87.8 | 176 | -59 | 174.2 | 0 | 0 | 0 | 108.6 | T528 S530 K531 I543 W544 F565 | T528-H533 PolarHBondContact O-CE1 2.86Å; S530-H533 WeakPolarHBondContact O-CB 3.47Å; S530-H533 PolarHBondContact O-N 3.07Å; K531-H533 PolarHBondContact O-N 2.78Å; H533-I543 HydrophobicContact CB-CD1 4.31Å; H533-I543 WeakPolarHBondContact O-CG1 3.2Å; H533-I543 PolarHBondContact O-N 2.8Å; H533-W544 AromaticContact CG-NE1 3.55Å; H533-W544 AromaticContact ND1-CE2 3.75Å; H533-W544 AromaticContact ND1-CZ2 3.84Å; H533-W544 AromaticContact ND1-NE1 3.06Å; H533-W544 PolarHBondContact ND1-NE1 3.08Å; H533-F565 AromaticContact CE1-CE1 3.71Å; H533-F565 AromaticContact CE1-CZ 3.84Å; H533-F565 AromaticContact CG-CZ 3.94Å; H533-F565 AromaticContact ND1-CE1 3.57Å; H533-F565 AromaticContact ND1-CZ 3.68Å | ||
| 534 | T | 91.6 | Very high | 92.2 | Very high | 63 Ų | 63 | 46.2 Ų | 46.2 | 39% | 0.387 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 161.6 | 175.3 | 62.4 | 0 | 0 | 0 | 0 | 110.9 | L532 D540 T541 V542 | L532-T534 PolarHBondContact O-N 3.35Å; T534-D540 WeakPolarHBondContact CB-O 3.48Å; T534-D540 WeakPolarHBondContact CG2-O 3.39Å; T534-T541 VanDerWaalsContact CA-O 3.25Å; T534-T541 WeakPolarHBondContact CA-O 3.23Å; T534-T541 WeakPolarHBondContact CB-O 3.38Å; T534-V542 HydrophobicContact CG2-CG2 4.4Å |
| 535 | S | 87.9 | Confident | 92.2 | Very high | 5 Ų | 5 | 47.4 Ų | 47.4 | 4% | 0.035 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 132.1 | 175.9 | 174.5 | 0 | 0 | 0 | 0 | 111.9 | V537 I538 D540 T541 I563 | S535-V537 PolarHBondContact O-N 3.31Å; S535-V537 VanDerWaalsContact O-N 3.08Å; S535-V537 WeakPolarHBondContact OG-CB 3.45Å; S535-V537 VanDerWaalsContact OG-CG2 3.22Å; S535-V537 WeakPolarHBondContact OG-CG2 3.36Å; S535-V537 PolarHBondContact OG-N 3.08Å; S535-I538 VanDerWaalsContact O-CG1 3.27Å; S535-I538 WeakPolarHBondContact O-CG1 3.4Å; S535-I538 PolarHBondContact O-N 3.14Å; S535-I538 VanDerWaalsContact O-N 3.11Å; S535-D540 VanDerWaalsContact O-CA 3.31Å; S535-D540 WeakPolarHBondContact O-CA 3.47Å; S535-D540 PolarHBondContact O-N 2.78Å; S535-T541 PolarHBondContact N-O 3.26Å; S535-I563 WeakPolarHBondContact OG-CD1 3.29Å |
| 536 | P | 85.9 | Confident | 92.3 | Very high | 97 Ų | 97 | 50.2 Ų | 50.2 | 63% | 0.63 | 27% | 0.273 | S | S | * | . | G | 310 helix | trans | -57.3 | -25.5 | 175.9 | -25.4 | 33.8 | 0 | 0 | 0 | 113.5 | I538 N539 D540 | P536-I538 PolarHBondContact O-N 3.13Å; P536-N539 PolarHBondContact O-N 3.15Å; P536-D540 VanDerWaalsContact CA-OD1 3.31Å; P536-D540 WeakPolarHBondContact CA-OD1 3.12Å |
| 537 | V | 83.5 | Confident | 92.3 | Very high | 70 Ų | 70 | 49.7 Ų | 49.7 | 42% | 0.424 | 27% | 0.27 | S | S | . | . | G | 310 helix | trans | -62.4 | -32.6 | -179.3 | -176.6 | 0 | 0 | 0 | 0 | 111.8 | H33 S535 I563 | H33-V537 HydrophobicContact CB-CB 4.03Å; H33-V537 HydrophobicContact CB-CG1 3.72Å; H33-V537 HydrophobicContact CB-CG2 3.1Å; S535-V537 PolarHBondContact O-N 3.31Å; S535-V537 VanDerWaalsContact O-N 3.08Å; S535-V537 WeakPolarHBondContact OG-CB 3.45Å; S535-V537 VanDerWaalsContact OG-CG2 3.22Å; S535-V537 WeakPolarHBondContact OG-CG2 3.36Å; S535-V537 PolarHBondContact OG-N 3.08Å; V537-I563 HydrophobicContact CB-CD1 4.02Å; V537-I563 HydrophobicContact CG1-CD1 4.3Å |
| 538 | I | 87.3 | Confident | 92.3 | Very high | 26 Ų | 26 | 51.8 Ų | 51.8 | 13% | 0.133 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -109 | 33.5 | 177.3 | 52.9 | 173.3 | 0 | 0 | 0 | 110.1 | S535 P536 D540 T541 I543 V550 I563 | S535-I538 VanDerWaalsContact O-CG1 3.27Å; S535-I538 WeakPolarHBondContact O-CG1 3.4Å; S535-I538 PolarHBondContact O-N 3.14Å; S535-I538 VanDerWaalsContact O-N 3.11Å; P536-I538 PolarHBondContact O-N 3.13Å; I538-D540 PolarHBondContact O-N 2.83Å; I538-T541 WeakPolarHBondContact CB-OG1 3.35Å; I538-T541 WeakPolarHBondContact CD1-O 3.09Å; I538-T541 WeakPolarHBondContact CD1-OG1 3.41Å; I538-T541 VanDerWaalsContact CG1-OG1 3.3Å; I538-T541 WeakPolarHBondContact CG1-OG1 3.41Å; I538-T541 WeakPolarHBondContact O-CB 3.31Å; I538-T541 WeakPolarHBondContact O-CG2 3.36Å; I538-T541 PolarHBondContact O-N 3.16Å; I538-T541 PolarHBondContact O-OG1 3.05Å; I538-I543 HydrophobicContact CD1-CG1 4.31Å; I538-V550 HydrophobicContact CD1-CB 4.26Å; I538-V550 WeakPolarHBondContact CG2-O 3.42Å; I538-I563 HydrophobicContact CB-CD1 4.37Å; I538-I563 HydrophobicContact CD1-CD1 3.83Å; I538-I563 HydrophobicContact CG1-CD1 3.82Å; I538-I563 HydrophobicContact CG2-CD1 3.76Å; I538-I563 HydrophobicContact CG2-CG1 4.4Å |
| 539 | N | 87.9 | Confident | 92.1 | Very high | 143 Ų | 143 | 60 Ų | 60 | 77% | 0.765 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.2 | 44.8 | -179.9 | -54.7 | -42.3 | 0 | 0 | 0 | 113.3 | P536 T541 | P536-N539 PolarHBondContact O-N 3.15Å; N539-T541 PolarHBondContact O-N 3.4Å; N539-T541 VanDerWaalsContact O-N 3.13Å |
| 540 | D | 86.6 | Confident | 91.9 | Very high | 102 Ų | 102 | 60.9 Ų | 60.9 | 55% | 0.545 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.8 | 25 | -179.2 | -60 | -51.9 | 0 | 0 | 0 | 113.8 | T534 S535 P536 I538 | T534-D540 WeakPolarHBondContact CB-O 3.48Å; T534-D540 WeakPolarHBondContact CG2-O 3.39Å; S535-D540 VanDerWaalsContact O-CA 3.31Å; S535-D540 WeakPolarHBondContact O-CA 3.47Å; S535-D540 PolarHBondContact O-N 2.78Å; P536-D540 VanDerWaalsContact CA-OD1 3.31Å; P536-D540 WeakPolarHBondContact CA-OD1 3.12Å; I538-D540 PolarHBondContact O-N 2.83Å |
| 541 | T | 90.6 | Very high | 91.9 | Very high | 58 Ų | 58 | 60.2 Ų | 60.2 | 36% | 0.356 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 163.3 | 170.6 | 59.7 | 0 | 0 | 0 | 0 | 111.6 | T534 S535 I538 N539 I543 | T534-T541 VanDerWaalsContact CA-O 3.25Å; T534-T541 WeakPolarHBondContact CA-O 3.23Å; T534-T541 WeakPolarHBondContact CB-O 3.38Å; S535-T541 PolarHBondContact N-O 3.26Å; I538-T541 WeakPolarHBondContact CB-OG1 3.35Å; I538-T541 WeakPolarHBondContact CD1-O 3.09Å; I538-T541 WeakPolarHBondContact CD1-OG1 3.41Å; I538-T541 VanDerWaalsContact CG1-OG1 3.3Å; I538-T541 WeakPolarHBondContact CG1-OG1 3.41Å; I538-T541 WeakPolarHBondContact O-CB 3.31Å; I538-T541 WeakPolarHBondContact O-CG2 3.36Å; I538-T541 PolarHBondContact O-N 3.16Å; I538-T541 PolarHBondContact O-OG1 3.05Å; N539-T541 PolarHBondContact O-N 3.4Å; N539-T541 VanDerWaalsContact O-N 3.13Å; T541-I543 PolarHBondContact O-N 3.05Å |
| 542 | V | 94.1 | Very high | 91.9 | Very high | 28 Ų | 28 | 58.6 Ų | 58.6 | 17% | 0.17 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 126.6 | -176.6 | -177.7 | 0 | 0 | 0 | 0 | 110 | P500 K531 T534 W544 D545 | P500-V542 HydrophobicContact CB-CB 4.37Å; P500-V542 HydrophobicContact CB-CG1 3.78Å; P500-V542 HydrophobicContact CG-CG1 4.3Å; K531-V542 HydrophobicContact CB-CG2 4.43Å; K531-V542 HydrophobicContact CG-CG2 4.41Å; T534-V542 HydrophobicContact CG2-CG2 4.4Å; V542-W544 HydrophobicContact CG1-CB 4.29Å; V542-W544 PolarHBondContact O-N 2.95Å; V542-D545 PolarHBondContact O-N 3.49Å |
| 543 | I | 94.4 | Very high | 92.1 | Very high | 1 Ų | 1 | 57.1 Ų | 57.1 | 1% | 0.005 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -33.9 | -179.1 | -65.6 | 170.8 | 0 | 0 | 0 | 111.5 | A35 H533 I538 T541 D545 I563 F565 | A35-I543 HydrophobicContact CB-CD1 3.81Å; H533-I543 HydrophobicContact CB-CD1 4.31Å; H533-I543 WeakPolarHBondContact O-CG1 3.2Å; H533-I543 PolarHBondContact O-N 2.8Å; I538-I543 HydrophobicContact CD1-CG1 4.31Å; T541-I543 PolarHBondContact O-N 3.05Å; I543-D545 VanDerWaalsContact C-N 3.35Å; I543-D545 PolarHBondContact O-N 3.48Å; I543-I563 HydrophobicContact CG2-CB 4.23Å; I543-F565 HydrophobicContact CD1-CD2 4.1Å |
| 544 | W | 96.6 | Very high | 92 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | 13.6 | -177 | -43.7 | 118.9 | 0 | 0 | 0 | 114.6 | F486 V488 P500 V501 F527 T529 S530 H533 V542 F565 | F486-W544 AromaticContact CD1-CH2 3.94Å; F486-W544 HydrophobicContact CD1-CH2 3.94Å; F486-W544 AromaticContact CD1-CZ3 3.77Å; F486-W544 HydrophobicContact CD1-CZ3 3.77Å; F486-W544 HydrophobicContact CE1-CH2 4.46Å; F486-W544 AromaticContact CE1-CZ3 3.97Å; F486-W544 HydrophobicContact CE1-CZ3 3.97Å; V488-W544 HydrophobicContact CG2-CE3 3.88Å; V488-W544 HydrophobicContact CG2-CZ3 4.12Å; P500-W544 CarbonylContact C-O 3.53Å; P500-W544 WeakPolarHBondContact CA-O 3.48Å; P500-W544 HydrophobicContact CB-CB 4.5Å; P500-W544 WeakPolarHBondContact CB-O 3.4Å; V501-W544 HydrophobicContact CB-CB 4.32Å; V501-W544 PolarHBondContact N-O 3.32Å; V501-W544 WeakPolarHBondContact O-CB 3.48Å; F527-W544 HydrophobicContact CD2-CZ2 4.42Å; F527-W544 AromaticContact CE2-CH2 3.72Å; F527-W544 HydrophobicContact CE2-CH2 3.72Å; F527-W544 AromaticContact CE2-CZ2 3.46Å; F527-W544 HydrophobicContact CE2-CZ2 3.46Å; F527-W544 VanDerWaalsContact CE2-CZ2 3.46Å; F527-W544 AromaticContact CZ-CH2 3.75Å; F527-W544 HydrophobicContact CZ-CH2 3.75Å; F527-W544 AromaticContact CZ-CZ2 3.97Å; F527-W544 HydrophobicContact CZ-CZ2 3.97Å; T529-W544 HydrophobicContact CG2-CD2 3.85Å; T529-W544 HydrophobicContact CG2-CE3 4.28Å; T529-W544 HydrophobicContact CG2-CG 4.12Å; T529-W544 HydrophobicContact CG2-CZ2 4.32Å; S530-W544 VanDerWaalsContact O-CD1 3.27Å; H533-W544 AromaticContact CG-NE1 3.55Å; H533-W544 AromaticContact ND1-CE2 3.75Å; H533-W544 AromaticContact ND1-CZ2 3.84Å; H533-W544 AromaticContact ND1-NE1 3.06Å; H533-W544 PolarHBondContact ND1-NE1 3.08Å; V542-W544 HydrophobicContact CG1-CB 4.29Å; V542-W544 PolarHBondContact O-N 2.95Å; W544-F565 HydrophobicContact CH2-CB 3.64Å; W544-F565 AromaticContact CH2-CD1 3.93Å; W544-F565 HydrophobicContact CH2-CD1 3.93Å; W544-F565 HydrophobicContact CH2-CG 4.06Å; W544-F565 HydrophobicContact CZ2-CB 3.98Å; W544-F565 AromaticContact CZ2-CD1 3.57Å; W544-F565 HydrophobicContact CZ2-CD1 3.57Å; W544-F565 HydrophobicContact CZ2-CE1 4.16Å; W544-F565 AromaticContact CZ2-CG 3.88Å; W544-F565 HydrophobicContact CZ2-CG 3.88Å |
| 545 | D | 96.4 | Very high | 91.9 | Very high | 38 Ų | 38 | 58.7 Ų | 58.7 | 20% | 0.203 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -71.8 | 171.6 | 167.4 | -158.6 | -7.7 | 0 | 0 | 0 | 110.2 | W499 P500 V542 I543 P547 V550 | W499-D545 VanDerWaalsContact CE3-C 3.47Å; P500-D545 HydrophobicContact CB-CB 4.39Å; V542-D545 PolarHBondContact O-N 3.49Å; I543-D545 VanDerWaalsContact C-N 3.35Å; I543-D545 PolarHBondContact O-N 3.48Å; D545-P547 WeakPolarHBondContact O-CD 2.89Å; D545-V550 HydrophobicContact CB-CG1 3.85Å; D545-V550 HydrophobicContact CB-CG2 3.99Å; D545-V550 WeakPolarHBondContact O-CG2 3.41Å |
| 546 | R | 96.6 | Very high | 91.8 | Very high | 69 Ų | 69 | 60.8 Ų | 60.8 | 26% | 0.26 | 32% | 0.324 | S | S | . | . | trans | -54.7 | 124 | -174.4 | -170.9 | 175.4 | 175.6 | 169.8 | 1.6 | 110.9 | D494 W499 S548 R549 V550 | D494-R546 IonicContact OD2-NE 2.67Å; W499-R546 HydrophobicContact CB-CB 4.43Å; W499-R546 HydrophobicContact CD2-CB 3.79Å; W499-R546 HydrophobicContact CD2-CG 4.25Å; W499-R546 VanDerWaalsContact CE3-CA 3.49Å; W499-R546 HydrophobicContact CE3-CB 4.22Å; W499-R546 HydrophobicContact CG-CB 3.86Å; W499-R546 HydrophobicContact CG-CG 4.47Å; W499-R546 HydrophobicContact CZ2-CG 4.34Å; R546-S548 WeakPolarHBondContact CD-OG 3.37Å; R546-S548 PolarHBondContact NE-OG 3.11Å; R546-S548 PolarHBondContact O-N 2.98Å; R546-R549 HydrophobicContact CB-CG 4.42Å; R546-R549 WeakPolarHBondContact O-CA 3.47Å; R546-R549 WeakPolarHBondContact O-CB 3.49Å; R546-R549 PolarHBondContact O-N 3.01Å; R546-V550 PolarHBondContact O-N 3.23Å | ||
| 547 | P | 96.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -57.7 | -29.9 | -176.1 | -29.4 | 35.4 | 0 | 0 | 0 | 113.9 | V488 W499 D545 R549 G551 F560 | V488-P547 HydrophobicContact CB-CG 4.15Å; V488-P547 HydrophobicContact CG1-CG 3.86Å; W499-P547 VanDerWaalsContact CH2-CD 3.41Å; W499-P547 HydrophobicContact CH2-CG 4.22Å; W499-P547 HydrophobicContact CZ3-CG 4.46Å; D545-P547 WeakPolarHBondContact O-CD 2.89Å; P547-R549 PolarHBondContact O-N 3.31Å; P547-R549 VanDerWaalsContact O-N 3.12Å; P547-G551 WeakPolarHBondContact O-CA 3.5Å; P547-G551 PolarHBondContact O-N 3.19Å; P547-F560 HydrophobicContact CB-CB 3.97Å; P547-F560 WeakPolarHBondContact CB-O 3.4Å; P547-F560 VanDerWaalsContact O-CB 3.31Å; P547-F560 WeakPolarHBondContact O-CB 3.09Å |
| 548 | S | 95.1 | Very high | 92.2 | Very high | 49 Ų | 49 | 59.8 Ų | 59.8 | 34% | 0.343 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -65.8 | -11.5 | 174.3 | 72.5 | 0 | 0 | 0 | 0 | 114.6 | R546 | R546-S548 WeakPolarHBondContact CD-OG 3.37Å; R546-S548 PolarHBondContact NE-OG 3.11Å; R546-S548 PolarHBondContact O-N 2.98Å |
| 549 | R | 93.8 | Very high | 92.5 | Very high | 186 Ų | 186 | 58.6 Ų | 58.6 | 70% | 0.702 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -107.5 | -44.9 | 178.8 | -66.3 | -177.2 | 174.7 | 174.8 | -0.7 | 112.4 | R546 P547 | R546-R549 HydrophobicContact CB-CG 4.42Å; R546-R549 WeakPolarHBondContact O-CA 3.47Å; R546-R549 WeakPolarHBondContact O-CB 3.49Å; R546-R549 PolarHBondContact O-N 3.01Å; P547-R549 PolarHBondContact O-N 3.31Å; P547-R549 VanDerWaalsContact O-N 3.12Å |
| 550 | V | 93.6 | Very high | 93 | Very high | 20 Ų | 20 | 55.2 Ų | 55.2 | 12% | 0.121 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -108.7 | -11.3 | -173.5 | -62 | 0 | 0 | 0 | 0 | 113.8 | I538 D545 R546 | I538-V550 HydrophobicContact CD1-CB 4.26Å; I538-V550 WeakPolarHBondContact CG2-O 3.42Å; D545-V550 HydrophobicContact CB-CG1 3.85Å; D545-V550 HydrophobicContact CB-CG2 3.99Å; D545-V550 WeakPolarHBondContact O-CG2 3.41Å; R546-V550 PolarHBondContact O-N 3.23Å |
| 551 | G | 93.4 | Very high | 93.4 | Very high | 19 Ų | 19 | 50.9 Ų | 50.9 | 20% | 0.196 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -93.1 | 178 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | P547 R561 | P547-G551 WeakPolarHBondContact O-CA 3.5Å; P547-G551 PolarHBondContact O-N 3.19Å; G551-R561 CarbonylContact C-O 3.57Å; G551-R561 WeakPolarHBondContact CA-O 3.38Å |
| 552 | T | 94.1 | Very high | 93.6 | Very high | 69 Ų | 69 | 48.4 Ų | 48.4 | 42% | 0.423 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 140.1 | 177.5 | 53.4 | 0 | 0 | 0 | 0 | 110.2 | H554 F560 R561 | T552-H554 PolarHBondContact O-CD2 2.95Å; T552-H554 PolarHBondContact OG1-NE2 3.28Å; T552-F560 CarbonylContact O-C 3.6Å; T552-F560 VanDerWaalsContact O-CA 3.23Å; T552-F560 WeakPolarHBondContact O-CA 3.14Å; T552-R561 PolarHBondContact N-O 2.87Å; T552-R561 PolarHBondContact O-N 3.38Å |
| 553 | Y | 94.8 | Very high | 93.5 | Very high | 119 Ų | 119 | 47.6 Ų | 47.6 | 47% | 0.467 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 131.3 | -179.1 | 178.3 | -101.7 | 0 | 0 | 0 | 111.1 | T555 D558 F560 | Y553-T555 HydrophobicContact CD1-CG2 4.46Å; Y553-T555 HydrophobicContact CE1-CG2 3.86Å; Y553-D558 WeakPolarHBondContact CE2-OD1 3.36Å; Y553-D558 PolarHBondContact OH-OD1 2.54Å; Y553-F560 HydrophobicContact CD2-CD2 4.11Å; Y553-F560 AromaticContact CD2-CE2 3.87Å; Y553-F560 HydrophobicContact CD2-CE2 3.87Å; Y553-F560 HydrophobicContact CD2-CZ 4.1Å; Y553-F560 HydrophobicContact CG-CZ 4.44Å |
| 554 | H | 91.5 | Very high | 93.4 | Very high | 12 Ų | 12 | 47.9 Ų | 47.9 | 6% | 0.056 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 119.5 | -176.6 | -80.4 | -79.1 | 0 | 0 | 0 | 110.5 | T552 D556 D558 C559 R561 | T552-H554 PolarHBondContact O-CD2 2.95Å; T552-H554 PolarHBondContact OG1-NE2 3.28Å; H554-D556 VanDerWaalsContact C-N 3.29Å; H554-D556 WeakPolarHBondContact CB-OD1 3.38Å; H554-D556 IonicContact CG-OD1 4Å; H554-D556 IonicContact ND1-OD1 3.02Å; H554-D556 PolarHBondContact O-N 3.11Å; H554-D558 WeakPolarHBondContact O-CA 3.3Å; H554-D558 PolarHBondContact O-N 3.38Å; H554-D558 VanDerWaalsContact O-N 3.08Å; H554-C559 WeakPolarHBondContact CB-O 3.48Å; H554-C559 PolarHBondContact N-O 3.09Å; H554-C559 PolarHBondContact O-N 3.38Å; H554-R561 VanDerWaalsContact CB-NH1 3.32Å; H554-R561 VanDerWaalsContact CG-NH1 3.26Å; H554-R561 PolarHBondContact ND1-NH1 3.44Å |
| 555 | T | 89.8 | Confident | 93.2 | Very high | 121 Ų | 121 | 48.5 Ų | 48.5 | 74% | 0.742 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -22.8 | -176.2 | 55.1 | 0 | 0 | 0 | 0 | 113.4 | Y553 | Y553-T555 HydrophobicContact CD1-CG2 4.46Å; Y553-T555 HydrophobicContact CE1-CG2 3.86Å |
| 556 | D | 85.1 | Confident | 93 | Very high | 49 Ų | 49 | 46.7 Ų | 46.7 | 26% | 0.262 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -33 | -178.1 | 58.3 | -63.8 | 0 | 0 | 0 | 113.2 | K25 H554 R561 | K25-D556 HydrophobicContact CD-CB 4.17Å; H554-D556 VanDerWaalsContact C-N 3.29Å; H554-D556 WeakPolarHBondContact CB-OD1 3.38Å; H554-D556 IonicContact CG-OD1 4Å; H554-D556 IonicContact ND1-OD1 3.02Å; H554-D556 PolarHBondContact O-N 3.11Å; D556-R561 IonicContact OD1-NH1 3.32Å; D556-R561 PolarHBondContact OD1-NH1 3.44Å; D556-R561 VanDerWaalsContact OD1-NH1 3.15Å; D556-R561 IonicContact OD2-CZ 3.4Å; D556-R561 IonicContact OD2-NH1 3.78Å; D556-R561 PolarHBondContact OD2-NH1 3.22Å; D556-R561 IonicContact OD2-NH2 3.8Å; D556-R561 PolarHBondContact OD2-NH2 2.93Å |
| 557 | C | 86.8 | Confident | 92.8 | Very high | 30 Ų | 30 | 43.8 Ų | 43.8 | 20% | 0.203 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.9 | -4.4 | 175.7 | 63.4 | 0 | 0 | 0 | 0 | 113.4 | C559 | C557-C559 HydrophobicContact CB-CB 4Å; C557-C559 WeakPolarHBondContact CB-SG 3.41Å; C557-C559 PolarHBondContact O-N 3.02Å; C557-C559 WeakPolarHBondContact SG-CB 3.29Å; C557-C559 PolarHBondContact SG-N 3.49Å; C557-C559 VanDerWaalsContact SG-N 3.38Å; C557-C559 CovalentContact SG-SG 2.05Å; C557-C559 PolarHBondContact SG-SG 2.99Å |
| 558 | D | 91.3 | Very high | 92.4 | Very high | 117 Ų | 117 | 45.7 Ų | 45.7 | 63% | 0.626 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 46.5 | 50.8 | -166.7 | -169.3 | 24 | 0 | 0 | 0 | 111.4 | Y553 H554 | Y553-D558 WeakPolarHBondContact CE2-OD1 3.36Å; Y553-D558 PolarHBondContact OH-OD1 2.54Å; H554-D558 WeakPolarHBondContact O-CA 3.3Å; H554-D558 PolarHBondContact O-N 3.38Å; H554-D558 VanDerWaalsContact O-N 3.08Å |
| 559 | C | 94.6 | Very high | 92 | Very high | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.007 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 154.6 | -171.1 | 81.7 | 0 | 0 | 0 | 0 | 111.8 | H554 C557 | H554-C559 WeakPolarHBondContact CB-O 3.48Å; H554-C559 PolarHBondContact N-O 3.09Å; H554-C559 PolarHBondContact O-N 3.38Å; C557-C559 HydrophobicContact CB-CB 4Å; C557-C559 WeakPolarHBondContact CB-SG 3.41Å; C557-C559 PolarHBondContact O-N 3.02Å; C557-C559 WeakPolarHBondContact SG-CB 3.29Å; C557-C559 PolarHBondContact SG-N 3.49Å; C557-C559 VanDerWaalsContact SG-N 3.38Å; C557-C559 CovalentContact SG-SG 2.05Å; C557-C559 PolarHBondContact SG-SG 2.99Å |
| 560 | F | 96.7 | Very high | 91.9 | Very high | 72 Ų | 72 | 36.8 Ų | 36.8 | 32% | 0.316 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 136.2 | 166.8 | -67.8 | -100.6 | 0 | 0 | 0 | 109.7 | C489 S490 P547 T552 Y553 | C489-F560 CarbonylContact C-O 3.31Å; C489-F560 VanDerWaalsContact CA-O 3.32Å; C489-F560 WeakPolarHBondContact CA-O 3.19Å; S490-F560 PolarHBondContact N-O 3.03Å; S490-F560 PolarHBondContact OG-N 3.23Å; P547-F560 HydrophobicContact CB-CB 3.97Å; P547-F560 WeakPolarHBondContact CB-O 3.4Å; P547-F560 VanDerWaalsContact O-CB 3.31Å; P547-F560 WeakPolarHBondContact O-CB 3.09Å; T552-F560 CarbonylContact O-C 3.6Å; T552-F560 VanDerWaalsContact O-CA 3.23Å; T552-F560 WeakPolarHBondContact O-CA 3.14Å; Y553-F560 HydrophobicContact CD2-CD2 4.11Å; Y553-F560 AromaticContact CD2-CE2 3.87Å; Y553-F560 HydrophobicContact CD2-CE2 3.87Å; Y553-F560 HydrophobicContact CD2-CZ 4.1Å; Y553-F560 HydrophobicContact CG-CZ 4.44Å |
| 561 | R | 95.6 | Very high | 91.8 | Very high | 10 Ų | 10 | 36.2 Ų | 36.2 | 4% | 0.038 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 138.4 | 173.3 | -63.6 | -177 | 171.6 | 119.8 | -9.1 | 110.5 | Q455 H487 V488 G551 T552 H554 D556 | Q455-R561 VanDerWaalsContact OE1-CZ 3.29Å; H487-R561 PolarHBondContact NE2-NE 2.74Å; V488-R561 WeakPolarHBondContact O-CA 3.23Å; G551-R561 CarbonylContact C-O 3.57Å; G551-R561 WeakPolarHBondContact CA-O 3.38Å; T552-R561 PolarHBondContact N-O 2.87Å; T552-R561 PolarHBondContact O-N 3.38Å; H554-R561 VanDerWaalsContact CB-NH1 3.32Å; H554-R561 VanDerWaalsContact CG-NH1 3.26Å; H554-R561 PolarHBondContact ND1-NH1 3.44Å; D556-R561 IonicContact OD1-NH1 3.32Å; D556-R561 PolarHBondContact OD1-NH1 3.44Å; D556-R561 VanDerWaalsContact OD1-NH1 3.15Å; D556-R561 IonicContact OD2-CZ 3.4Å; D556-R561 IonicContact OD2-NH1 3.78Å; D556-R561 PolarHBondContact OD2-NH1 3.22Å; D556-R561 IonicContact OD2-NH2 3.8Å; D556-R561 PolarHBondContact OD2-NH2 2.93Å |
| 562 | S | 94.6 | Very high | 91.7 | Very high | 6 Ų | 6 | 36.4 Ų | 36.4 | 4% | 0.042 | 21% | 0.205 | C | C | . | . | P | Polyproline II helix | trans | -63.9 | 171.1 | 169.1 | 72 | 0 | 0 | 0 | 0 | 110.8 | H487 V488 | H487-S562 WeakPolarHBondContact CA-OG 3.35Å; V488-S562 PolarHBondContact N-OG 3.27Å; V488-S562 PolarHBondContact O-N 3.34Å |
| 563 | I | 91.8 | Very high | 91.5 | Very high | 11 Ų | 11 | 35 Ų | 35 | 6% | 0.056 | 19% | 0.193 | C | C | . | . | P | Polyproline II helix | trans | -58.7 | 140.1 | 169 | -63.7 | 177.7 | 0 | 0 | 0 | 109.5 | H33 D34 S535 V537 I538 I543 F565 | H33-I563 VanDerWaalsContact O-CG2 3.29Å; H33-I563 WeakPolarHBondContact O-CG2 3.41Å; D34-I563 HydrophobicContact CB-CG2 4.46Å; S535-I563 WeakPolarHBondContact OG-CD1 3.29Å; V537-I563 HydrophobicContact CB-CD1 4.02Å; V537-I563 HydrophobicContact CG1-CD1 4.3Å; I538-I563 HydrophobicContact CB-CD1 4.37Å; I538-I563 HydrophobicContact CD1-CD1 3.83Å; I538-I563 HydrophobicContact CG1-CD1 3.82Å; I538-I563 HydrophobicContact CG2-CD1 3.76Å; I538-I563 HydrophobicContact CG2-CG1 4.4Å; I543-I563 HydrophobicContact CG2-CB 4.23Å; I563-F565 PolarHBondContact O-N 3.24Å |
| 564 | D | 92.3 | Very high | 91.2 | Very high | 7 Ų | 7 | 34.2 Ų | 34.2 | 4% | 0.037 | 19% | 0.194 | C | C | . | . | P | Polyproline II helix | trans | -67.6 | 129.3 | 173.2 | -77.8 | -32 | 0 | 0 | 0 | 109.9 | D34 A35 T470 Y472 A485 H487 | D34-D564 HydrophobicContact CB-CB 4.19Å; D34-D564 WeakPolarHBondContact CB-O 3.45Å; A35-D564 PolarHBondContact N-O 2.9Å; T470-D564 WeakPolarHBondContact CB-OD1 3.34Å; T470-D564 VanDerWaalsContact CB-OD2 3.3Å; T470-D564 WeakPolarHBondContact CB-OD2 3.48Å; T470-D564 VanDerWaalsContact CG2-OD2 3.3Å; T470-D564 WeakPolarHBondContact CG2-OD2 3.22Å; T470-D564 VanDerWaalsContact OG1-CG 3.28Å; T470-D564 PolarHBondContact OG1-OD1 3.39Å; T470-D564 PolarHBondContact OG1-OD2 3.26Å; Y472-D564 PolarHBondContact OH-OD2 3.2Å; A485-D564 HydrophobicContact CB-CB 3.75Å; H487-D564 IonicContact CG-OD1 3.34Å; H487-D564 IonicContact ND1-OD1 3.3Å; H487-D564 PolarHBondContact ND1-OD1 3.21Å; H487-D564 VanDerWaalsContact ND1-OD1 3.13Å |
| 565 | F | 93.4 | Very high | 91 | Very high | 14 Ų | 14 | 35.1 Ų | 35.1 | 6% | 0.061 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 123.4 | 176.7 | -171.2 | -106.7 | 0 | 0 | 0 | 110.6 | A35 F37 A485 F486 F527 H533 I543 W544 I563 | A35-F565 HydrophobicContact CB-CD2 3.54Å; A35-F565 HydrophobicContact CB-CE2 4Å; A35-F565 WeakPolarHBondContact O-CA 3.39Å; F37-F565 HydrophobicContact CD1-CZ 4.48Å; F37-F565 HydrophobicContact CD2-CE1 4.18Å; F37-F565 HydrophobicContact CD2-CZ 4.39Å; F37-F565 AromaticContact CE1-CE1 3.96Å; F37-F565 HydrophobicContact CE1-CE1 3.96Å; F37-F565 AromaticContact CE1-CZ 3.85Å; F37-F565 HydrophobicContact CE1-CZ 3.85Å; F37-F565 AromaticContact CE2-CD1 3.75Å; F37-F565 HydrophobicContact CE2-CD1 3.75Å; F37-F565 AromaticContact CE2-CE1 3.21Å; F37-F565 HydrophobicContact CE2-CE1 3.21Å; F37-F565 AromaticContact CE2-CZ 3.75Å; F37-F565 HydrophobicContact CE2-CZ 3.75Å; F37-F565 HydrophobicContact CZ-CD1 4.07Å; F37-F565 AromaticContact CZ-CE1 3.09Å; F37-F565 HydrophobicContact CZ-CE1 3.09Å; F37-F565 AromaticContact CZ-CZ 3.46Å; F37-F565 HydrophobicContact CZ-CZ 3.46Å; F37-F565 VanDerWaalsContact CZ-CZ 3.46Å; A485-F565 WeakPolarHBondContact CA-O 3.38Å; F486-F565 PolarHBondContact N-O 3.29Å; F486-F565 PolarHBondContact O-N 3.04Å; F527-F565 HydrophobicContact CD1-CD1 4.42Å; F527-F565 HydrophobicContact CD2-CD1 4.1Å; F527-F565 AromaticContact CD2-CE1 3.93Å; F527-F565 HydrophobicContact CD2-CE1 3.93Å; F527-F565 HydrophobicContact CE1-CD1 4.14Å; F527-F565 AromaticContact CE2-CD1 3.81Å; F527-F565 HydrophobicContact CE2-CD1 3.81Å; F527-F565 HydrophobicContact CE2-CE1 4.09Å; F527-F565 HydrophobicContact CG-CD1 4.42Å; F527-F565 HydrophobicContact CG-CE1 4.2Å; F527-F565 AromaticContact CZ-CD1 3.83Å; F527-F565 HydrophobicContact CZ-CD1 3.83Å; F527-F565 HydrophobicContact CZ-CE1 4.47Å; H533-F565 AromaticContact CE1-CE1 3.71Å; H533-F565 AromaticContact CE1-CZ 3.84Å; H533-F565 AromaticContact CG-CZ 3.94Å; H533-F565 AromaticContact ND1-CE1 3.57Å; H533-F565 AromaticContact ND1-CZ 3.68Å; I543-F565 HydrophobicContact CD1-CD2 4.1Å; W544-F565 HydrophobicContact CH2-CB 3.64Å; W544-F565 AromaticContact CH2-CD1 3.93Å; W544-F565 HydrophobicContact CH2-CD1 3.93Å; W544-F565 HydrophobicContact CH2-CG 4.06Å; W544-F565 HydrophobicContact CZ2-CB 3.98Å; W544-F565 AromaticContact CZ2-CD1 3.57Å; W544-F565 HydrophobicContact CZ2-CD1 3.57Å; W544-F565 HydrophobicContact CZ2-CE1 4.16Å; W544-F565 AromaticContact CZ2-CG 3.88Å; W544-F565 HydrophobicContact CZ2-CG 3.88Å; I563-F565 PolarHBondContact O-N 3.24Å |
| 566 | G | 92.4 | Very high | 91 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 176 | -159.5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | A35 D36 F37 R483 | A35-G566 PolarHBondContact O-N 2.92Å; D36-G566 WeakPolarHBondContact CA-O 3.11Å; F37-G566 PolarHBondContact N-O 3.18Å; R483-G566 PolarHBondContact NH1-O 3.31Å; R483-G566 VanDerWaalsContact NH1-O 3.08Å |
| 567 | W | 91.8 | Very high | 91.1 | Very high | 8 Ų | 8 | 34.6 Ų | 34.6 | 3% | 0.03 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 129.4 | -168.4 | -62.1 | -96.3 | 0 | 0 | 0 | 112.4 | F37 R483 L484 I508 M525 F527 F570 | F37-W567 HydrophobicContact CB-CG 4.26Å; F37-W567 AromaticContact CD2-CD1 3.96Å; F37-W567 AromaticContact CD2-CD2 3.83Å; F37-W567 HydrophobicContact CD2-CD2 3.83Å; F37-W567 AromaticContact CD2-CE2 3.4Å; F37-W567 HydrophobicContact CD2-CG 4.16Å; F37-W567 AromaticContact CD2-CZ2 3.8Å; F37-W567 HydrophobicContact CD2-CZ2 3.8Å; F37-W567 AromaticContact CD2-NE1 3.47Å; F37-W567 HydrophobicContact CE2-CD2 4.42Å; F37-W567 AromaticContact CE2-CE2 3.81Å; F37-W567 HydrophobicContact CE2-CH2 4.23Å; F37-W567 AromaticContact CE2-CZ2 3.69Å; F37-W567 HydrophobicContact CE2-CZ2 3.69Å; F37-W567 AromaticContact CG-NE1 3.6Å; F37-W567 HydrophobicContact CZ-CZ2 4.4Å; R483-W567 WeakPolarHBondContact CA-O 3.42Å; R483-W567 WeakPolarHBondContact CB-O 3.28Å; R483-W567 VanDerWaalsContact CG-O 3.31Å; R483-W567 WeakPolarHBondContact CG-O 3.18Å; L484-W567 PolarHBondContact N-O 2.96Å; L484-W567 PolarHBondContact O-N 3.19Å; I508-W567 HydrophobicContact CD1-CZ3 3.86Å; I508-W567 HydrophobicContact CG1-CZ3 4.36Å; M525-W567 HydrophobicContact CB-CD2 3.71Å; M525-W567 HydrophobicContact CB-CE3 3.61Å; M525-W567 HydrophobicContact CB-CH2 3.31Å; M525-W567 HydrophobicContact CB-CZ2 3.52Å; M525-W567 HydrophobicContact CB-CZ3 3.41Å; M525-W567 VanDerWaalsContact CB-CZ3 3.41Å; M525-W567 HydrophobicContact CG-CD2 3.95Å; M525-W567 HydrophobicContact CG-CE3 4.12Å; M525-W567 HydrophobicContact CG-CG 4.3Å; M525-W567 HydrophobicContact CG-CZ2 4.47Å; M525-W567 HydrophobicContact CG-CZ3 4.39Å; F527-W567 HydrophobicContact CB-CH2 4.39Å; F527-W567 HydrophobicContact CB-CZ2 4.33Å; F527-W567 AromaticContact CD1-CH2 3.47Å; F527-W567 HydrophobicContact CD1-CH2 3.47Å; F527-W567 VanDerWaalsContact CD1-CH2 3.47Å; F527-W567 HydrophobicContact CD1-CZ2 4.11Å; F527-W567 HydrophobicContact CD1-CZ3 4.04Å; F527-W567 HydrophobicContact CE1-CH2 4.25Å; F527-W567 HydrophobicContact CE1-CZ3 4.39Å; F527-W567 HydrophobicContact CG-CH2 4.41Å; W567-F570 HydrophobicContact CB-CD2 4.29Å; W567-F570 HydrophobicContact CE3-CD2 4.07Å; W567-F570 HydrophobicContact CE3-CE2 4.09Å; W567-F570 HydrophobicContact CZ3-CE2 4.41Å |
| 568 | S | 88.4 | Confident | 91 | Very high | 39 Ų | 39 | 37.1 Ų | 37.1 | 27% | 0.273 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79 | -23.6 | -177.9 | -70.2 | 0 | 0 | 0 | 0 | 114.1 | D36 R483 | D36-S568 PolarHBondContact OD2-OG 3.13Å; R483-S568 PolarHBondContact NH1-OG 3.25Å |
| 569 | G | 86.3 | Confident | 90.9 | Very high | 42 Ų | 42 | 34.1 Ų | 34.1 | 43% | 0.433 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 69.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 570 | F | 91.6 | Very high | 90.9 | Very high | 6 Ų | 6 | 35.6 Ų | 35.6 | 3% | 0.026 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | -49.6 | -177.5 | -164.4 | -74.8 | 0 | 0 | 0 | 111.4 | L482 L484 I508 I510 S523 M525 W567 | L482-F570 WeakPolarHBondContact O-CB 3.18Å; L482-F570 PolarHBondContact O-N 2.84Å; L484-F570 HydrophobicContact CB-CB 4.29Å; L484-F570 HydrophobicContact CB-CD2 3.67Å; L484-F570 HydrophobicContact CB-CE2 4.13Å; L484-F570 HydrophobicContact CB-CG 3.99Å; L484-F570 HydrophobicContact CD2-CD2 4.29Å; L484-F570 HydrophobicContact CD2-CE1 4.39Å; L484-F570 HydrophobicContact CD2-CE2 3.99Å; L484-F570 HydrophobicContact CD2-CZ 4.06Å; I508-F570 HydrophobicContact CB-CE2 4.13Å; I508-F570 HydrophobicContact CB-CZ 4.27Å; I508-F570 HydrophobicContact CG2-CE2 4.3Å; I508-F570 HydrophobicContact CG2-CZ 4.29Å; I508-F570 WeakPolarHBondContact O-CZ 3.05Å; I510-F570 HydrophobicContact CB-CE1 4.25Å; I510-F570 HydrophobicContact CD1-CD1 3.44Å; I510-F570 VanDerWaalsContact CD1-CD1 3.44Å; I510-F570 HydrophobicContact CD1-CE1 3.58Å; I510-F570 HydrophobicContact CD1-CG 4.45Å; I510-F570 HydrophobicContact CG1-CD1 4.02Å; I510-F570 HydrophobicContact CG1-CE1 3.59Å; I510-F570 HydrophobicContact CG1-CZ 4.42Å; S523-F570 WeakPolarHBondContact O-CE1 3.41Å; S523-F570 PolarHBondContact OG-O 2.85Å; M525-F570 HydrophobicContact CB-CD2 4.29Å; M525-F570 HydrophobicContact CB-CE2 3.61Å; M525-F570 HydrophobicContact CB-CZ 4.1Å; M525-F570 HydrophobicContact CG-CD2 3.69Å; M525-F570 HydrophobicContact CG-CE1 4.39Å; M525-F570 HydrophobicContact CG-CE2 3.36Å; M525-F570 HydrophobicContact CG-CG 4.36Å; M525-F570 HydrophobicContact CG-CZ 3.76Å; W567-F570 HydrophobicContact CB-CD2 4.29Å; W567-F570 HydrophobicContact CE3-CD2 4.07Å; W567-F570 HydrophobicContact CE3-CE2 4.09Å; W567-F570 HydrophobicContact CZ3-CE2 4.41Å |
| 571 | I | 91.3 | Very high | 90.9 | Very high | 8 Ų | 8 | 32.2 Ų | 32.2 | 4% | 0.041 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 145.5 | 173.1 | -167.8 | 166.2 | 0 | 0 | 0 | 109.2 | Y481 L482 I510 M575 L576 F581 | Y481-I571 WeakPolarHBondContact CA-O 3.21Å; L482-I571 HydrophobicContact CB-CG2 4.32Å; L482-I571 HydrophobicContact CD1-CG2 3.62Å; L482-I571 WeakPolarHBondContact CD1-O 3.31Å; L482-I571 HydrophobicContact CG-CG2 4.49Å; L482-I571 PolarHBondContact N-O 3.29Å; I510-I571 HydrophobicContact CD1-CB 4.4Å; I510-I571 HydrophobicContact CD1-CG2 3.57Å; I571-M575 HydrophobicContact CD1-CB 4.25Å; I571-M575 HydrophobicContact CD1-CG 3.94Å; I571-M575 HydrophobicContact CG1-CB 3.85Å; I571-M575 HydrophobicContact CG1-CG 3.97Å; I571-L576 HydrophobicContact CD1-CD2 4.13Å; I571-L576 HydrophobicContact CG2-CD2 3.84Å; I571-L576 HydrophobicContact CG2-CG 4.11Å; I571-F581 HydrophobicContact CD1-CD1 4.18Å; I571-F581 HydrophobicContact CD1-CD2 3.89Å; I571-F581 HydrophobicContact CD1-CE1 3.95Å; I571-F581 HydrophobicContact CD1-CE2 3.67Å; I571-F581 HydrophobicContact CD1-CG 4.14Å; I571-F581 HydrophobicContact CD1-CZ 3.69Å |
| 572 | S | 90.8 | Very high | 90.8 | Very high | 23 Ų | 23 | 33.4 Ų | 33.4 | 16% | 0.161 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 151.6 | 178.7 | 73.8 | 0 | 0 | 0 | 0 | 111.7 | Y481 Q574 M575 L576 | Y481-S572 VanDerWaalsContact CE1-CB 3.46Å; S572-Q574 PolarHBondContact O-N 2.86Å; S572-M575 PolarHBondContact O-N 3.06Å; S572-M575 VanDerWaalsContact O-N 3.09Å; S572-M575 WeakPolarHBondContact OG-CB 3.28Å; S572-M575 PolarHBondContact OG-N 3.32Å; S572-L576 PolarHBondContact O-N 2.77Å |
| 573 | H | 90.8 | Very high | 90.7 | Very high | 39 Ų | 39 | 33.7 Ų | 33.7 | 18% | 0.181 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -59 | -31.2 | 172.7 | -66.7 | 173.1 | 0 | 0 | 0 | 112.3 | P473 H474 G480 | P473-H573 PolarHBondContact O-NE2 3.48Å; H474-H573 AromaticContact ND1-CE1 3.44Å; H474-H573 PolarHBondContact ND1-CE1 2.74Å; G480-H573 PolarHBondContact O-N 3.15Å |
| 574 | Q | 88.4 | Confident | 90.5 | Very high | 104 Ų | 104 | 36.2 Ų | 36.2 | 49% | 0.486 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -67.9 | -44.2 | 175.2 | -177.8 | 173.6 | 9.7 | 0 | 0 | 111.1 | S237 S572 K577 | S237-Q574 PolarHBondContact OG-NE2 3.02Å; S572-Q574 PolarHBondContact O-N 2.86Å; Q574-K577 PolarHBondContact O-N 3.07Å |
| 575 | M | 87.5 | Confident | 90.6 | Very high | 31 Ų | 31 | 37.9 Ų | 37.9 | 15% | 0.153 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -67.6 | -37.2 | -179.5 | -170.6 | 62 | 77.1 | 0 | 0 | 111.9 | L243 I571 S572 K577 R578 F581 | L243-M575 HydrophobicContact CD1-CE 4.35Å; L243-M575 HydrophobicContact CD1-CG 4.2Å; L243-M575 HydrophobicContact CD1-SD 4.07Å; I571-M575 HydrophobicContact CD1-CB 4.25Å; I571-M575 HydrophobicContact CD1-CG 3.94Å; I571-M575 HydrophobicContact CG1-CB 3.85Å; I571-M575 HydrophobicContact CG1-CG 3.97Å; S572-M575 PolarHBondContact O-N 3.06Å; S572-M575 VanDerWaalsContact O-N 3.09Å; S572-M575 WeakPolarHBondContact OG-CB 3.28Å; S572-M575 PolarHBondContact OG-N 3.32Å; M575-K577 PolarHBondContact O-N 3.14Å; M575-K577 VanDerWaalsContact O-N 3.11Å; M575-R578 PolarHBondContact O-N 2.77Å; M575-R578 VanDerWaalsContact O-N 3.08Å; M575-R578 HydrophobicContact SD-CB 4.46Å; M575-F581 HydrophobicContact CG-CE2 3.96Å; M575-F581 WeakPolarHBondContact O-CD2 3.34Å |
| 576 | L | 89.9 | Confident | 90.6 | Very high | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -53 | -33.2 | 174.1 | -81.6 | -168.2 | 0 | 0 | 0 | 113.8 | F441 L482 I571 S572 F581 L582 L587 | F441-L576 HydrophobicContact CD1-CD1 4.34Å; F441-L576 HydrophobicContact CE1-CD1 3.81Å; L482-L576 HydrophobicContact CD1-CD1 3.24Å; L482-L576 HydrophobicContact CD1-CD2 4.37Å; L482-L576 HydrophobicContact CD1-CG 3.69Å; L482-L576 HydrophobicContact CD2-CD1 3.93Å; L482-L576 HydrophobicContact CG-CD1 4.22Å; I571-L576 HydrophobicContact CD1-CD2 4.13Å; I571-L576 HydrophobicContact CG2-CD2 3.84Å; I571-L576 HydrophobicContact CG2-CG 4.11Å; S572-L576 PolarHBondContact O-N 2.77Å; L576-F581 HydrophobicContact CD2-CB 3.82Å; L576-F581 HydrophobicContact CD2-CG 4.34Å; L576-L582 HydrophobicContact CB-CD1 4.24Å; L576-L582 HydrophobicContact CB-CG 4.35Å; L576-L582 HydrophobicContact CD1-CD1 4.31Å; L576-L587 HydrophobicContact CD2-CD1 3.94Å |
| 577 | K | 87.5 | Confident | 90.9 | Very high | 158 Ų | 158 | 37.5 Ų | 37.5 | 69% | 0.687 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | -4.5 | -175.9 | -65 | -179.6 | -179.4 | -176.2 | 0 | 113.9 | Q574 M575 | Q574-K577 PolarHBondContact O-N 3.07Å; M575-K577 PolarHBondContact O-N 3.14Å; M575-K577 VanDerWaalsContact O-N 3.11Å |
| 578 | R | 84.4 | Confident | 91.2 | Very high | 82 Ų | 82 | 37.3 Ų | 37.3 | 31% | 0.309 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | -42.4 | -172.3 | -83.4 | -176.3 | 160.6 | 170.6 | -6.1 | 114 | E234 S237 M575 | E234-R578 PolarHBondContact O-NH2 2.82Å; S237-R578 PolarHBondContact O-NH1 2.96Å; S237-R578 PolarHBondContact OG-NH1 3.08Å; S237-R578 PolarHBondContact OG-NH2 2.9Å; M575-R578 PolarHBondContact O-N 2.77Å; M575-R578 VanDerWaalsContact O-N 3.08Å; M575-R578 HydrophobicContact SD-CB 4.46Å |
| 579 | R | 89.5 | Confident | 91.7 | Very high | 54 Ų | 54 | 35.4 Ų | 35.4 | 20% | 0.204 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -107.9 | -169.4 | 177.9 | -54 | -167.1 | 71.8 | 88.1 | -5.9 | 109.9 | E209 D512 N519 M521 F581 | E209-R579 IonicContact OE1-NH1 3.89Å; E209-R579 PolarHBondContact OE1-NH1 2.85Å; E209-R579 IonicContact OE2-NH1 2.74Å; E209-R579 PolarHBondContact OE2-NH1 3.13Å; D512-R579 IonicContact OD2-CZ 2.89Å; D512-R579 IonicContact OD2-NE 3.21Å; D512-R579 PolarHBondContact OD2-NE 3.02Å; D512-R579 IonicContact OD2-NH2 3.95Å; N519-R579 PolarHBondContact O-NH2 2.93Å; M521-R579 PolarHBondContact SD-NH1 3.28Å; M521-R579 VanDerWaalsContact SD-NH1 3.42Å; R579-F581 HydrophobicContact CB-CD2 3.93Å; R579-F581 HydrophobicContact CB-CE2 3.98Å; R579-F581 HydrophobicContact CG-CE2 4.26Å; R579-F581 PolarHBondContact O-N 2.92Å |
| 580 | S | 93.9 | Very high | 92.2 | Very high | 33 Ų | 33 | 34.4 Ų | 34.4 | 23% | 0.231 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | 31.8 | 179.8 | -61.4 | 0 | 0 | 0 | 0 | 112.4 | D512 Q513 L582 | D512-S580 WeakPolarHBondContact OD1-CA 3.26Å; D512-S580 WeakPolarHBondContact OD1-CB 3Å; D512-S580 PolarHBondContact OD1-N 3.22Å; Q513-S580 VanDerWaalsContact C-CB 3.5Å; Q513-S580 WeakPolarHBondContact CB-O 3.4Å; Q513-S580 VanDerWaalsContact CG-O 3.29Å; Q513-S580 WeakPolarHBondContact CG-O 3.42Å; Q513-S580 PolarHBondContact N-O 3.43Å; S580-L582 VanDerWaalsContact C-N 3.33Å |
| 581 | F | 95.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -40.5 | 174.1 | -70 | -64.9 | 0 | 0 | 0 | 111.5 | L243 I510 D512 Q513 M521 I571 M575 L576 R579 | L243-F581 HydrophobicContact CD1-CE2 4.32Å; L243-F581 HydrophobicContact CD1-CZ 4.08Å; L243-F581 HydrophobicContact CD2-CZ 4.48Å; I510-F581 HydrophobicContact CG2-CD1 3.8Å; I510-F581 HydrophobicContact CG2-CE1 4.39Å; D512-F581 HydrophobicContact CB-CD1 4.23Å; D512-F581 HydrophobicContact CB-CE1 3.92Å; D512-F581 HydrophobicContact CB-CZ 4.31Å; Q513-F581 PolarHBondContact NE2-O 2.96Å; M521-F581 VanDerWaalsContact O-CZ 3.31Å; M521-F581 WeakPolarHBondContact O-CZ 3.27Å; I571-F581 HydrophobicContact CD1-CD1 4.18Å; I571-F581 HydrophobicContact CD1-CD2 3.89Å; I571-F581 HydrophobicContact CD1-CE1 3.95Å; I571-F581 HydrophobicContact CD1-CE2 3.67Å; I571-F581 HydrophobicContact CD1-CG 4.14Å; I571-F581 HydrophobicContact CD1-CZ 3.69Å; M575-F581 HydrophobicContact CG-CE2 3.96Å; M575-F581 WeakPolarHBondContact O-CD2 3.34Å; L576-F581 HydrophobicContact CD2-CB 3.82Å; L576-F581 HydrophobicContact CD2-CG 4.34Å; R579-F581 HydrophobicContact CB-CD2 3.93Å; R579-F581 HydrophobicContact CB-CE2 3.98Å; R579-F581 HydrophobicContact CG-CE2 4.26Å; R579-F581 PolarHBondContact O-N 2.92Å |
| 582 | L | 94.1 | Very high | 92.9 | Very high | 35 Ų | 35 | 35.5 Ų | 35.5 | 18% | 0.183 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 94.3 | 170.4 | -59.6 | -177 | 0 | 0 | 0 | 109 | F441 L576 S580 L587 | F441-L582 HydrophobicContact CB-CD2 3.9Å; F441-L582 HydrophobicContact CD1-CD1 4.09Å; F441-L582 HydrophobicContact CD1-CD2 3.62Å; F441-L582 HydrophobicContact CG-CD2 3.97Å; L576-L582 HydrophobicContact CB-CD1 4.24Å; L576-L582 HydrophobicContact CB-CG 4.35Å; L576-L582 HydrophobicContact CD1-CD1 4.31Å; S580-L582 VanDerWaalsContact C-N 3.33Å; L582-L587 HydrophobicContact CD2-CB 3.77Å; L582-L587 HydrophobicContact CD2-CD1 3.79Å; L582-L587 HydrophobicContact CD2-CG 4.35Å |
| 583 | K | 91.9 | Very high | 93.2 | Very high | 12 Ų | 12 | 34.4 Ų | 34.4 | 5% | 0.052 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 128.7 | 176.8 | -168.2 | 170.3 | -170.5 | -166.5 | 0 | 107.8 | H302 T303 L305 D423 Q513 D585 D586 | H302-K583 WeakPolarHBondContact O-CE 3.48Å; H302-K583 PolarHBondContact O-NZ 3.13Å; T303-K583 VanDerWaalsContact O-CE 3.32Å; T303-K583 WeakPolarHBondContact O-CE 3.33Å; T303-K583 PolarHBondContact O-NZ 3.09Å; L305-K583 HydrophobicContact CD1-CG 3.5Å; L305-K583 VanDerWaalsContact CD1-CG 3.5Å; L305-K583 HydrophobicContact CG-CG 4.25Å; D423-K583 IonicContact OD2-NZ 3.97Å; D423-K583 PolarHBondContact OD2-NZ 3.17Å; Q513-K583 HydrophobicContact CB-CB 3.89Å; Q513-K583 HydrophobicContact CB-CD 3.7Å; Q513-K583 HydrophobicContact CB-CG 4.42Å; Q513-K583 HydrophobicContact CG-CB 4.3Å; Q513-K583 WeakPolarHBondContact O-CD 3.4Å; Q513-K583 PolarHBondContact O-NZ 2.9Å; K583-D585 PolarHBondContact O-N 3.07Å; K583-D586 PolarHBondContact N-O 3.37Å; K583-D586 WeakPolarHBondContact O-CB 3.13Å; K583-D586 PolarHBondContact O-N 3Å |
| 584 | N | 89.3 | Confident | 93.5 | Very high | 64 Ų | 64 | 35.7 Ų | 35.7 | 34% | 0.342 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58 | 27.2 | -169.1 | -170.2 | 55 | 0 | 0 | 0 | 113.1 | L305 D586 | L305-N584 HydrophobicContact CD1-CB 3.9Å; L305-N584 HydrophobicContact CD2-CB 4.02Å; N584-D586 PolarHBondContact ND2-OD2 3.49Å; N584-D586 PolarHBondContact O-N 3.35Å |
| 585 | D | 92.8 | Very high | 93.9 | Very high | 42 Ų | 42 | 33.6 Ų | 33.6 | 23% | 0.225 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.5 | 19.8 | -169.3 | -155.9 | 32.2 | 0 | 0 | 0 | 114.3 | N440 F441 S442 K583 | N440-D585 WeakPolarHBondContact CA-OD2 3.36Å; N440-D585 PolarHBondContact N-O 2.79Å; N440-D585 VanDerWaalsContact N-O 3.15Å; F441-D585 WeakPolarHBondContact CB-O 3.46Å; F441-D585 PolarHBondContact N-O 3.12Å; F441-D585 PolarHBondContact N-OD2 2.91Å; S442-D585 VanDerWaalsContact CB-OD1 3.23Å; S442-D585 WeakPolarHBondContact CB-OD1 3.47Å; S442-D585 VanDerWaalsContact CB-OD2 3.32Å; S442-D585 WeakPolarHBondContact CB-OD2 2.95Å; S442-D585 PolarHBondContact N-OD1 3.01Å; S442-D585 PolarHBondContact N-OD2 3.09Å; S442-D585 VanDerWaalsContact N-OD2 3.08Å; S442-D585 PolarHBondContact OG-OD1 3.04Å; K583-D585 PolarHBondContact O-N 3.07Å |
| 586 | D | 95 | Very high | 94.3 | Very high | 6 Ų | 6 | 32.8 Ų | 32.8 | 3% | 0.032 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 130.7 | 176.9 | -59.6 | -38.4 | 0 | 0 | 0 | 109.9 | T437 Q439 Q513 K583 N584 | T437-D586 HydrophobicContact CG2-CB 4.12Å; Q439-D586 VanDerWaalsContact CA-OD1 3.27Å; Q439-D586 WeakPolarHBondContact CA-OD1 3.41Å; Q439-D586 WeakPolarHBondContact CB-OD1 3.38Å; Q439-D586 WeakPolarHBondContact CG-OD1 3.35Å; Q513-D586 PolarHBondContact NE2-O 3.49Å; K583-D586 PolarHBondContact N-O 3.37Å; K583-D586 WeakPolarHBondContact O-CB 3.13Å; K583-D586 PolarHBondContact O-N 3Å; N584-D586 PolarHBondContact ND2-OD2 3.49Å; N584-D586 PolarHBondContact O-N 3.35Å |
| 587 | L | 97.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 117.8 | 170.1 | -178.1 | 71.9 | 0 | 0 | 0 | 109 | T437 V438 F441 L471 L482 I510 L576 L582 M589 | T437-L587 WeakPolarHBondContact CA-O 3.18Å; V438-L587 HydrophobicContact CB-CB 4.43Å; V438-L587 PolarHBondContact N-O 3.08Å; V438-L587 PolarHBondContact O-N 2.71Å; F441-L587 HydrophobicContact CB-CB 4.19Å; F441-L587 HydrophobicContact CD1-CB 4.45Å; F441-L587 HydrophobicContact CD1-CD2 4.36Å; F441-L587 HydrophobicContact CD2-CB 3.98Å; F441-L587 HydrophobicContact CD2-CD2 3.88Å; F441-L587 HydrophobicContact CE1-CD2 4.12Å; F441-L587 HydrophobicContact CE2-CD2 3.65Å; F441-L587 HydrophobicContact CG-CB 3.91Å; F441-L587 HydrophobicContact CG-CD2 4.25Å; F441-L587 HydrophobicContact CZ-CD2 3.78Å; L471-L587 HydrophobicContact CD2-CD2 3.96Å; L482-L587 HydrophobicContact CD2-CD2 4.45Å; I510-L587 HydrophobicContact CG2-CD1 3.61Å; L576-L587 HydrophobicContact CD2-CD1 3.94Å; L582-L587 HydrophobicContact CD2-CB 3.77Å; L582-L587 HydrophobicContact CD2-CD1 3.79Å; L582-L587 HydrophobicContact CD2-CG 4.35Å; L587-M589 HydrophobicContact CD2-CE 4.17Å; L587-M589 HydrophobicContact CD2-SD 4.4Å |
| 588 | I | 98.3 | Very high | 94.8 | Very high | 4 Ų | 4 | 33.5 Ų | 33.5 | 2% | 0.021 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 126.3 | -178.8 | -57.2 | 179 | 0 | 0 | 0 | 110.1 | F347 I390 V435 T437 L511 Q513 F590 | F347-I588 HydrophobicContact CE1-CD1 3.86Å; F347-I588 HydrophobicContact CZ-CD1 4.02Å; I390-I588 HydrophobicContact CB-CD1 4.32Å; I390-I588 HydrophobicContact CG2-CD1 4.02Å; I390-I588 HydrophobicContact CG2-CG2 4.21Å; V435-I588 HydrophobicContact CG1-CG2 4.25Å; T437-I588 HydrophobicContact CG2-CG1 4.06Å; L511-I588 HydrophobicContact CB-CB 4.22Å; L511-I588 HydrophobicContact CB-CG2 4.34Å; L511-I588 HydrophobicContact CD2-CB 4.24Å; L511-I588 HydrophobicContact CD2-CD1 4.4Å; L511-I588 HydrophobicContact CD2-CG2 4.06Å; L511-I588 PolarHBondContact N-O 3.37Å; Q513-I588 HydrophobicContact CG-CD1 4.34Å; Q513-I588 VanDerWaalsContact OE1-CD1 3.23Å; I588-F590 HydrophobicContact CG2-CD1 4.12Å; I588-F590 HydrophobicContact CG2-CE1 3.5Å; I588-F590 VanDerWaalsContact CG2-CE1 3.5Å; I588-F590 HydrophobicContact CG2-CZ 4.23Å |
| 589 | M | 98.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 136.4 | 177.9 | -70 | 165.8 | -74.4 | 0 | 0 | 111.1 | V435 W436 V438 L469 L471 L484 T509 I510 L587 | V435-M589 WeakPolarHBondContact CA-O 3.42Å; W436-M589 HydrophobicContact CD2-CE 3.64Å; W436-M589 HydrophobicContact CE3-CE 3.22Å; W436-M589 HydrophobicContact CE3-SD 3.98Å; W436-M589 HydrophobicContact CG-CE 4.27Å; W436-M589 HydrophobicContact CH2-CE 4.27Å; W436-M589 HydrophobicContact CZ3-CE 3.6Å; W436-M589 HydrophobicContact CZ3-SD 4.19Å; W436-M589 PolarHBondContact N-O 2.85Å; W436-M589 PolarHBondContact O-N 3.23Å; V438-M589 HydrophobicContact CG2-CE 3.65Å; L469-M589 HydrophobicContact CD1-CB 4.21Å; L471-M589 HydrophobicContact CD1-SD 4.43Å; L471-M589 HydrophobicContact CD2-CE 4.01Å; L471-M589 HydrophobicContact CD2-SD 4.42Å; L484-M589 HydrophobicContact CD1-SD 3.62Å; L484-M589 HydrophobicContact CD2-CG 4.29Å; L484-M589 HydrophobicContact CD2-SD 3.84Å; L484-M589 HydrophobicContact CG-SD 4.43Å; T509-M589 CarbonylContact O-C 3.54Å; T509-M589 VanDerWaalsContact O-CA 3.25Å; T509-M589 WeakPolarHBondContact O-CA 3.48Å; I510-M589 HydrophobicContact CG1-CG 3.94Å; L587-M589 HydrophobicContact CD2-CE 4.17Å; L587-M589 HydrophobicContact CD2-SD 4.4Å |
| 590 | F | 98.3 | Very high | 95.1 | Very high | 21 Ų | 21 | 31.1 Ų | 31.1 | 9% | 0.092 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 149.8 | 170.7 | -54.5 | -26.2 | 0 | 0 | 0 | 110.6 | I390 H392 P432 G434 V435 I508 T509 L511 I588 | I390-F590 HydrophobicContact CD1-CE1 4.28Å; I390-F590 HydrophobicContact CD1-CZ 3.88Å; H392-F590 AromaticContact CE1-CE1 3.55Å; H392-F590 AromaticContact CE1-CZ 3.48Å; H392-F590 VanDerWaalsContact CE1-CZ 3.48Å; H392-F590 WeakPolarHBondContact CE1-CZ 3.47Å; H392-F590 AromaticContact NE2-CZ 3.5Å; P432-F590 HydrophobicContact CB-CB 3.87Å; P432-F590 HydrophobicContact CB-CD1 4.4Å; P432-F590 HydrophobicContact CB-CD2 4.33Å; P432-F590 HydrophobicContact CB-CG 3.98Å; P432-F590 HydrophobicContact CG-CD1 4.24Å; P432-F590 HydrophobicContact CG-CD2 4.28Å; P432-F590 HydrophobicContact CG-CE1 4.5Å; P432-F590 HydrophobicContact CG-CG 4.13Å; G434-F590 CarbonylContact O-C 3.57Å; G434-F590 WeakPolarHBondContact O-CA 3.29Å; V435-F590 HydrophobicContact CB-CD1 4.26Å; V435-F590 HydrophobicContact CB-CE1 4.47Å; V435-F590 HydrophobicContact CG1-CD1 3.94Å; V435-F590 HydrophobicContact CG1-CE1 3.79Å; V435-F590 HydrophobicContact CG2-CD1 3.81Å; V435-F590 HydrophobicContact CG2-CE1 4Å; I508-F590 WeakPolarHBondContact CA-O 3.45Å; T509-F590 PolarHBondContact N-O 2.97Å; T509-F590 PolarHBondContact O-N 2.83Å; L511-F590 HydrophobicContact CB-CE2 4.44Å; L511-F590 HydrophobicContact CB-CZ 4.42Å; L511-F590 HydrophobicContact CD1-CE2 3.98Å; L511-F590 HydrophobicContact CD1-CZ 4.3Å; L511-F590 HydrophobicContact CD2-CE1 4.42Å; L511-F590 HydrophobicContact CD2-CE2 4.24Å; L511-F590 HydrophobicContact CD2-CZ 3.71Å; L511-F590 HydrophobicContact CG-CE2 4.45Å; L511-F590 HydrophobicContact CG-CZ 4.37Å; I588-F590 HydrophobicContact CG2-CD1 4.12Å; I588-F590 HydrophobicContact CG2-CE1 3.5Å; I588-F590 VanDerWaalsContact CG2-CE1 3.5Å; I588-F590 HydrophobicContact CG2-CZ 4.23Å |
| 591 | V | 98.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 128.4 | 172.8 | 51.8 | 0 | 0 | 0 | 0 | 111 | G434 F459 F467 L469 F486 V506 I507 | G434-V591 PolarHBondContact N-O 3.45Å; G434-V591 PolarHBondContact O-N 3.01Å; F459-V591 HydrophobicContact CD2-CG1 4.01Å; F459-V591 HydrophobicContact CE2-CG1 4.11Å; F467-V591 HydrophobicContact CD2-CG1 4.49Å; F467-V591 HydrophobicContact CD2-CG2 4.18Å; F467-V591 HydrophobicContact CE2-CB 4.29Å; F467-V591 HydrophobicContact CE2-CG1 3.71Å; F467-V591 HydrophobicContact CE2-CG2 3.69Å; L469-V591 HydrophobicContact CD1-CB 4.04Å; L469-V591 HydrophobicContact CD1-CG1 4.05Å; L469-V591 HydrophobicContact CD2-CB 4.03Å; L469-V591 HydrophobicContact CD2-CG1 4.4Å; L469-V591 HydrophobicContact CD2-CG2 3.92Å; L469-V591 HydrophobicContact CG-CB 4.16Å; L469-V591 HydrophobicContact CG-CG1 4.05Å; L469-V591 HydrophobicContact CG-CG2 4.49Å; F486-V591 HydrophobicContact CD2-CG2 4.01Å; F486-V591 HydrophobicContact CE2-CG2 4.11Å; V506-V591 HydrophobicContact CG1-CG2 4.44Å; I507-V591 CarbonylContact O-C 3.57Å; I507-V591 VanDerWaalsContact O-CA 3.29Å; I507-V591 WeakPolarHBondContact O-CA 2.97Å |
| 592 | D | 97.8 | Very high | 93 | Very high | 36 Ų | 36 | 38.4 Ų | 38.4 | 19% | 0.193 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 147.5 | 172.1 | -62.5 | -54.9 | 0 | 0 | 0 | 110.1 | P432 T433 V506 I507 | P432-D592 VanDerWaalsContact CA-OD1 3.23Å; P432-D592 WeakPolarHBondContact CA-OD1 3.41Å; T433-D592 PolarHBondContact N-OD1 2.75Å; V506-D592 VanDerWaalsContact CA-O 3.29Å; V506-D592 WeakPolarHBondContact CA-O 3.05Å; I507-D592 HydrophobicContact CB-CB 4.25Å; I507-D592 PolarHBondContact N-O 2.54Å; I507-D592 VanDerWaalsContact N-O 3.08Å; I507-D592 PolarHBondContact O-N 3.44Å |
| 593 | F | 97.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 85.5 | -179.3 | -175.6 | -135.4 | 0 | 0 | 0 | 111 | N461 Y465 F467 F486 V501 R504 Q505 V506 T529 | N461-F593 HydrophobicContact CB-CB 4.38Å; N461-F593 HydrophobicContact CB-CD1 4.18Å; N461-F593 WeakPolarHBondContact CB-O 3.37Å; N461-F593 PolarHBondContact ND2-O 2.63Å; Y465-F593 HydrophobicContact CD2-CE1 4.44Å; Y465-F593 HydrophobicContact CG-CE1 4.2Å; F467-F593 HydrophobicContact CD1-CB 4.27Å; F467-F593 AromaticContact CD1-CD1 3.85Å; F467-F593 HydrophobicContact CD1-CD1 3.85Å; F467-F593 HydrophobicContact CD1-CG 4.47Å; F467-F593 HydrophobicContact CE1-CB 3.98Å; F467-F593 HydrophobicContact CE1-CD1 4.25Å; F467-F593 HydrophobicContact CE2-CB 4.39Å; F467-F593 HydrophobicContact CG-CD1 4.32Å; F467-F593 HydrophobicContact CZ-CB 4.04Å; F486-F593 HydrophobicContact CE1-CE2 4.34Å; F486-F593 HydrophobicContact CE1-CZ 4.49Å; F486-F593 HydrophobicContact CE2-CB 4.38Å; F486-F593 HydrophobicContact CE2-CD2 4.47Å; F486-F593 HydrophobicContact CE2-CG 4.32Å; F486-F593 HydrophobicContact CZ-CB 4.42Å; F486-F593 HydrophobicContact CZ-CD1 4.06Å; F486-F593 AromaticContact CZ-CD2 3.88Å; F486-F593 HydrophobicContact CZ-CD2 3.88Å; F486-F593 HydrophobicContact CZ-CE1 4.23Å; F486-F593 HydrophobicContact CZ-CE2 4.02Å; F486-F593 AromaticContact CZ-CG 3.87Å; F486-F593 HydrophobicContact CZ-CG 3.87Å; F486-F593 HydrophobicContact CZ-CZ 4.2Å; V501-F593 HydrophobicContact CG1-CZ 3.8Å; R504-F593 HydrophobicContact CB-CD2 3.7Å; R504-F593 HydrophobicContact CB-CE2 3.2Å; R504-F593 HydrophobicContact CB-CZ 3.73Å; R504-F593 HydrophobicContact CG-CE2 4.06Å; R504-F593 HydrophobicContact CG-CZ 4.15Å; Q505-F593 WeakPolarHBondContact O-CA 3.02Å; V506-F593 HydrophobicContact CG2-CD2 3.44Å; V506-F593 VanDerWaalsContact CG2-CD2 3.44Å; V506-F593 HydrophobicContact CG2-CE2 3.78Å; V506-F593 HydrophobicContact CG2-CG 4.44Å; T529-F593 HydrophobicContact CG2-CE2 3.79Å; T529-F593 HydrophobicContact CG2-CZ 4.29Å |
| 594 | E | 96.8 | Very high | 90 | Very high | 67 Ų | 67 | 44.8 Ų | 44.8 | 31% | 0.313 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 148 | -167 | -61.2 | -58.6 | 145.6 | 0 | 0 | 112.9 | T433 S462 R504 Q505 I596 | T433-E594 PolarHBondContact OG1-OE1 2.82Å; T433-E594 VanDerWaalsContact OG1-OE1 3.08Å; S462-E594 PolarHBondContact OG-OE2 3.25Å; R504-E594 CarbonylContact C-O 3.54Å; R504-E594 VanDerWaalsContact CA-O 3.23Å; R504-E594 WeakPolarHBondContact CA-O 3.34Å; Q505-E594 PolarHBondContact N-O 3.43Å; Q505-E594 PolarHBondContact O-N 3.11Å; Q505-E594 VanDerWaalsContact O-N 3.08Å; E594-I596 PolarHBondContact O-N 2.95Å |
| 595 | D | 96.9 | Very high | 88.4 | Confident | 59 Ų | 59 | 47.1 Ų | 47.1 | 32% | 0.316 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 123.1 | 177.7 | 178.6 | 29.5 | 0 | 0 | 0 | 111.9 | R504 T597 | R504-D595 HydrophobicContact CG-CB 4.39Å; D595-T597 WeakPolarHBondContact OD1-CB 3.47Å; D595-T597 PolarHBondContact OD1-N 2.91Å; D595-T597 PolarHBondContact OD1-OG1 2.99Å |
| 596 | I | 96.3 | Very high | 86.4 | Confident | 14 Ų | 14 | 47.3 Ų | 47.3 | 7% | 0.072 | 25% | 0.253 | C | S | . | . | trans | -117.2 | 17.2 | 175.8 | 62.4 | 160.8 | 0 | 0 | 0 | 112.7 | L89 N503 Q505 T528 E594 H598 L599 | L89-I596 HydrophobicContact CD1-CD1 4.19Å; L89-I596 HydrophobicContact CD1-CG1 4.39Å; L89-I596 HydrophobicContact CD2-CD1 4.35Å; L89-I596 HydrophobicContact CD2-CG1 4.18Å; L89-I596 HydrophobicContact CG-CD1 3.69Å; L89-I596 HydrophobicContact CG-CG1 4.01Å; L89-I596 WeakPolarHBondContact O-CD1 3.37Å; N503-I596 WeakPolarHBondContact O-CG1 3.35Å; N503-I596 PolarHBondContact O-N 2.87Å; Q505-I596 HydrophobicContact CB-CD1 3.76Å; Q505-I596 HydrophobicContact CB-CG1 4.01Å; Q505-I596 HydrophobicContact CB-CG2 4.04Å; Q505-I596 HydrophobicContact CG-CD1 4.42Å; T528-I596 HydrophobicContact CG2-CD1 4.22Å; T528-I596 HydrophobicContact CG2-CG1 4.4Å; E594-I596 PolarHBondContact O-N 2.95Å; I596-H598 PolarHBondContact O-N 2.92Å; I596-L599 HydrophobicContact CB-CD1 4.03Å; I596-L599 HydrophobicContact CB-CG 4.41Å; I596-L599 HydrophobicContact CG2-CD1 4.42Å; I596-L599 WeakPolarHBondContact O-CB 3.45Å; I596-L599 PolarHBondContact O-N 3.07Å | ||
| 597 | T | 95.3 | Very high | 84 | Confident | 46 Ų | 46 | 56.9 Ų | 56.9 | 28% | 0.282 | 29% | 0.294 | S | S | . | . | G | 310 helix | trans | -52.6 | -33.1 | -180 | -61.3 | 0 | 0 | 0 | 0 | 112.7 | N503 D595 L599 S600 | N503-T597 WeakPolarHBondContact CB-OG1 3.3Å; N503-T597 PolarHBondContact ND2-OG1 2.91Å; D595-T597 WeakPolarHBondContact OD1-CB 3.47Å; D595-T597 PolarHBondContact OD1-N 2.91Å; D595-T597 PolarHBondContact OD1-OG1 2.99Å; T597-L599 PolarHBondContact O-N 3.49Å; T597-S600 VanDerWaalsContact O-CB 3.23Å; T597-S600 WeakPolarHBondContact O-CB 3.21Å; T597-S600 PolarHBondContact O-N 2.85Å; T597-S600 PolarHBondContact O-OG 3.07Å |
| 598 | H | 92.9 | Very high | 81.3 | Confident | 128 Ų | 128 | 60.6 Ų | 60.6 | 59% | 0.593 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | -59.3 | -26.9 | 177.6 | 66.3 | -84.1 | 0 | 0 | 0 | 113.7 | I596 S600 | I596-H598 PolarHBondContact O-N 2.92Å; H598-S600 PolarHBondContact O-N 3.11Å |
| 599 | L | 92.9 | Very high | 78.3 | Confident | 21 Ų | 21 | 69.2 Ų | 69.2 | 11% | 0.11 | 37% | 0.369 | C | S | . | . | G | 310 helix | trans | -76.1 | -9.5 | 177.2 | -57.8 | -179.5 | 0 | 0 | 0 | 113.4 | L89 K92 L96 I596 T597 Q601 | L89-L599 HydrophobicContact CD1-CB 3.74Å; K92-L599 HydrophobicContact CB-CB 4.33Å; K92-L599 HydrophobicContact CB-CD1 4.18Å; K92-L599 HydrophobicContact CD-CB 4.23Å; K92-L599 WeakPolarHBondContact CD-O 3.44Å; K92-L599 PolarHBondContact NZ-O 2.98Å; L96-L599 HydrophobicContact CD1-CD1 3.77Å; L96-L599 HydrophobicContact CD1-CD2 3.77Å; L96-L599 HydrophobicContact CD1-CG 4.44Å; I596-L599 HydrophobicContact CB-CD1 4.03Å; I596-L599 HydrophobicContact CB-CG 4.41Å; I596-L599 HydrophobicContact CG2-CD1 4.42Å; I596-L599 WeakPolarHBondContact O-CB 3.45Å; I596-L599 PolarHBondContact O-N 3.07Å; T597-L599 PolarHBondContact O-N 3.49Å; L599-Q601 PolarHBondContact O-N 3.27Å |
| 600 | S | 87.5 | Confident | 75.2 | Confident | 66 Ų | 66 | 81.1 Ų | 81.1 | 46% | 0.462 | 42% | 0.415 | S | S | . | . | G | 310 helix | trans | -62.2 | -31.2 | 175.5 | 64.5 | 0 | 0 | 0 | 0 | 112.1 | T597 H598 | T597-S600 VanDerWaalsContact O-CB 3.23Å; T597-S600 WeakPolarHBondContact O-CB 3.21Å; T597-S600 PolarHBondContact O-N 2.85Å; T597-S600 PolarHBondContact O-OG 3.07Å; H598-S600 PolarHBondContact O-N 3.11Å |
| 601 | Q | 78.9 | Confident | 72.3 | Confident | 160 Ų | 160 | 85.8 Ų | 85.8 | 75% | 0.748 | 44% | 0.44 | S | S | * | . | S | Bend | trans | -93.6 | 124.8 | 175.2 | -61.7 | 179.1 | 4.8 | 0 | 0 | 108.7 | L599 | L599-Q601 PolarHBondContact O-N 3.27Š|
| 602 | T | 67 | Low | 69.1 | Low | 26 Ų | 26 | 89 Ų | 89 | 16% | 0.16 | 46% | 0.462 | C | S | . | . | trans | -76.5 | 141 | 175 | 54.9 | 0 | 0 | 0 | 0 | 110.8 | L83 D85 V604 | L83-T602 WeakPolarHBondContact O-CG2 3.15Å; D85-T602 HydrophobicContact CB-CG2 4.24Å; D85-T602 VanDerWaalsContact CG-OG1 3.28Å; D85-T602 VanDerWaalsContact OD1-CB 3.29Å; D85-T602 WeakPolarHBondContact OD1-CB 3.23Å; D85-T602 WeakPolarHBondContact OD1-CG2 3.39Å; D85-T602 PolarHBondContact OD1-OG1 3.29Å; D85-T602 PolarHBondContact OD2-OG1 2.71Å; T602-V604 PolarHBondContact O-N 2.78Å; T602-V604 PolarHBondContact OG1-O 3.29Å | ||
| 603 | E | 61.8 | Low | 66.2 | Low | 138 Ų | 138 | 92.2 Ų | 92.2 | 65% | 0.645 | 49% | 0.485 | S | S | * | . | S | Bend | trans | -67.1 | -25 | 178.7 | -63 | 179.9 | 163.3 | 0 | 0 | 111.6 | P112 | P112-E603 VanDerWaalsContact CB-OE2 3.25Å; P112-E603 WeakPolarHBondContact CB-OE2 3.47Å; P112-E603 WeakPolarHBondContact CG-OE2 3.4Å |
| 604 | V | 60.5 | Low | 63 | Low | 43 Ų | 43 | 100.1 Ų | 100.1 | 26% | 0.261 | 52% | 0.522 | S | S | . | . | S | Bend | trans | -128.3 | 112.9 | 179.5 | -174.3 | 0 | 0 | 0 | 0 | 109.9 | I82 Y113 T602 T606 | I82-V604 HydrophobicContact CD1-CB 4.46Å; I82-V604 HydrophobicContact CD1-CG1 4.32Å; Y113-V604 HydrophobicContact CD1-CG2 4.3Å; T602-V604 PolarHBondContact O-N 2.78Å; T602-V604 PolarHBondContact OG1-O 3.29Å; V604-T606 PolarHBondContact O-N 2.86Å; V604-T606 VanDerWaalsContact O-N 3.1Å |
| 605 | P | 55.9 | Low | 59.8 | Low | 113 Ų | 113 | 100.2 Ų | 100.2 | 73% | 0.734 | 53% | 0.53 | S | S | * | . | trans | -61.6 | 114.3 | 177.1 | -22.8 | 32.7 | 0 | 0 | 0 | 111.3 | ||||
| 606 | T | 50.7 | Low | 57 | Low | 46 Ų | 46 | 103.2 Ų | 103.2 | 28% | 0.282 | 55% | 0.545 | S | S | . | . | trans | -82.6 | 131.2 | 175.8 | 62.4 | 0 | 0 | 0 | 0 | 109.9 | I82 A84 D85 V604 G608 | I82-T606 HydrophobicContact CG2-CG2 4.23Å; A84-T606 HydrophobicContact CB-CG2 4.36Å; D85-T606 PolarHBondContact OD2-OG1 3Å; V604-T606 PolarHBondContact O-N 2.86Å; V604-T606 VanDerWaalsContact O-N 3.1Å; T606-G608 PolarHBondContact O-N 2.89Å | ||
| 607 | K | 45.9 | Very low | 54 | Low | 207 Ų | 207 | 108.7 Ų | 108.7 | 90% | 0.9 | 57% | 0.573 | S | S | * | * | trans | -70.7 | 98.4 | 171 | -76.7 | -177.4 | -178.4 | 174.1 | 0 | 107.8 | K609 | K607-K609 VanDerWaalsContact C-N 3.32Å; K607-K609 PolarHBondContact O-N 3.17Å | ||
| 608 | G | 39.8 | Very low | 50.9 | Low | 77 Ų | 77 | 113.7 Ų | 113.7 | 79% | 0.794 | 60% | 0.598 | S | S | * | * | trans | -58 | 87.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | T606 | T606-G608 PolarHBondContact O-N 2.89Š| ||
| 609 | K | 34.7 | Very low | 47.9 | Very low | 185 Ų | 185 | 117.6 Ų | 117.6 | 80% | 0.804 | 62% | 0.616 | S | S | * | * | trans | -88.6 | 101.5 | 154.5 | -84.7 | -173.5 | 176.1 | -178.9 | 0 | 106.5 | K607 L611 | K607-K609 VanDerWaalsContact C-N 3.32Å; K607-K609 PolarHBondContact O-N 3.17Å; K609-L611 VanDerWaalsContact C-N 3.29Å; K609-L611 PolarHBondContact O-N 3.18Å | ||
| 610 | R | 33.3 | Very low | 45.2 | Very low | 251 Ų | 251 | 119.6 Ų | 119.6 | 95% | 0.947 | 64% | 0.642 | S | S | * | * | trans | -58.4 | 96 | 162.5 | -130.2 | -177.5 | -173.1 | -165.9 | 1.6 | 106.8 | S612 | R610-S612 PolarHBondContact O-N 2.78Š| ||
| 611 | L | 37.8 | Very low | 42.3 | Very low | 119 Ų | 119 | 125.3 Ų | 125.3 | 62% | 0.623 | 66% | 0.662 | S | S | * | * | trans | -72 | 122.4 | 168.5 | -74.4 | 166.7 | 0 | 0 | 0 | 106.8 | K609 | K609-L611 VanDerWaalsContact C-N 3.29Å; K609-L611 PolarHBondContact O-N 3.18Å | ||
| 612 | S | 30.4 | Very low | 39.9 | Very low | 66 Ų | 66 | 126.7 Ų | 126.7 | 46% | 0.462 | 67% | 0.668 | S | S | . | * | trans | -73.4 | 153.2 | 174.1 | 67.1 | 0 | 0 | 0 | 0 | 109.5 | R610 Q614 S615 | R610-S612 PolarHBondContact O-N 2.78Å; S612-Q614 PolarHBondContact O-N 2.03Å; S612-S615 PolarHBondContact O-N 3.33Å; S612-S615 VanDerWaalsContact O-N 3.13Å; S612-S615 PolarHBondContact O-OG 3.11Å | ||
| 613 | P | 37.1 | Very low | 37.9 | Very low | 105 Ų | 105 | 133.7 Ų | 133.7 | 68% | 0.682 | 70% | 0.703 | S | S | * | * | G | 310 helix | trans | -57.6 | -14.8 | -177.2 | -24.8 | 33.5 | 0 | 0 | 0 | 115.1 | S615 | P613-S615 VanDerWaalsContact C-N 3.31Å; P613-S615 PolarHBondContact O-N 3.41Å |
| 614 | Q | 31.6 | Very low | 36.2 | Very low | 165 Ų | 165 | 135.6 Ų | 135.6 | 77% | 0.771 | 71% | 0.713 | S | S | * | * | G | 310 helix | trans | -80.8 | -6.4 | -178.9 | -73.4 | 172.2 | -22.6 | 0 | 0 | 114.1 | S612 | S612-Q614 PolarHBondContact O-N 2.03Š|
| 615 | S | 29.4 | Very low | 34.4 | Very low | 69 Ų | 69 | 140.2 Ų | 140.2 | 48% | 0.483 | 74% | 0.741 | S | S | . | * | G | 310 helix | trans | -91.1 | -3.6 | -177.4 | 48.4 | 0 | 0 | 0 | 0 | 115 | S612 P613 | S612-S615 PolarHBondContact O-N 3.33Å; S612-S615 VanDerWaalsContact O-N 3.13Å; S612-S615 PolarHBondContact O-OG 3.11Å; P613-S615 VanDerWaalsContact C-N 3.31Å; P613-S615 PolarHBondContact O-N 3.41Å |
| 616 | L | 37 | Very low | 32.9 | Very low | 122 Ų | 122 | 140.3 Ų | 140.3 | 64% | 0.639 | 74% | 0.744 | S | S | * | * | G | 310 helix | trans | -89 | -1.1 | 170.5 | -84 | 156.9 | 0 | 0 | 0 | 113.3 | L60 | L60-L616 HydrophobicContact CD1-CD2 4.39Š|
| 617 | I | 34.2 | Very low | 31.7 | Very low | 129 Ų | 129 | 146.8 Ų | 146.8 | 66% | 0.662 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -129.3 | 99.3 | 179.7 | -53.7 | 175.5 | 0 | 0 | 0 | 107.7 | ||
| 618 | L | 30.4 | Very low | 30.8 | Very low | 151 Ų | 151 | 146.5 Ų | 146.5 | 79% | 0.791 | 77% | 0.772 | S | S | * | * | trans | 134.5 | 74.7 | 162.8 | -75.1 | 156.6 | 0 | 0 | 0 | 112.7 | ||||
| 619 | Q | 29.4 | Very low | 30.1 | Very low | 210 Ų | 210 | 146.3 Ų | 146.3 | 98% | 0.981 | 77% | 0.771 | S | S | * | * | trans | -135.3 | 75.2 | 141.8 | -81.6 | -167.9 | -7.9 | 0 | 0 | 108.6 | ||||
| 620 | G | 36.1 | Very low | 29.8 | Very low | 64 Ų | 64 | 144 Ų | 144 | 66% | 0.66 | 78% | 0.777 | S | S | * | * | trans | -158.8 | 64.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 621 | Q | 26.1 | Very low | 29.4 | Very low | 186 Ų | 186 | 135.7 Ų | 135.7 | 87% | 0.869 | 77% | 0.77 | S | S | * | * | trans | -163.5 | 122.7 | 154.4 | -116.7 | 168 | -7 | 0 | 0 | 111.5 | ||||
| 622 | E | 29 | Very low | 29 | Very low | 189 Ų | 189 | 140.1 Ų | 140.1 | 88% | 0.883 | 78% | 0.784 | S | S | * | * | trans | -48.9 | 143.6 | 168.8 | -68.5 | 168.9 | 126.8 | 0 | 0 | 112.1 | ||||
| 623 | L | 24.9 | Very low | 28.7 | Very low | 172 Ų | 172 | 142 Ų | 142 | 90% | 0.901 | 80% | 0.804 | S | S | * | * | trans | -120 | 106.8 | 158.4 | -96.9 | 158.9 | 0 | 0 | 0 | 109.4 | ||||
| 624 | Q | 26.1 | Very low | 28.1 | Very low | 179 Ų | 179 | 144.6 Ų | 144.6 | 84% | 0.836 | 81% | 0.809 | S | S | * | * | trans | -54.7 | 141.5 | 162.2 | -71.3 | -170.8 | -30.2 | 0 | 0 | 110.8 | ||||
| 625 | V | 23.6 | Very low | 27.7 | Very low | 140 Ų | 140 | 144 Ų | 144 | 85% | 0.848 | 81% | 0.811 | S | S | * | * | trans | -73.7 | 128.6 | 171.6 | 175.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 626 | S | 23.4 | Very low | 27.6 | Very low | 114 Ų | 114 | 147.7 Ų | 147.7 | 80% | 0.797 | 82% | 0.82 | S | S | * | * | trans | -136.3 | 132.7 | 154.4 | 68 | 0 | 0 | 0 | 0 | 110 | ||||
| 627 | E | 26.2 | Very low | 27.1 | Very low | 182 Ų | 182 | 150 Ų | 150 | 85% | 0.85 | 83% | 0.828 | S | S | * | * | trans | -66.8 | 172.9 | -177.9 | -69.5 | 177.2 | 127.1 | 0 | 0 | 115.3 | ||||
| 628 | E | 25.7 | Very low | 26.6 | Very low | 201 Ų | 201 | 149.7 Ų | 149.7 | 94% | 0.939 | 83% | 0.832 | S | S | * | * | trans | 98.4 | 125.5 | 169.4 | -63.3 | -172.8 | 160 | 0 | 0 | 115.3 | ||||
| 629 | G | 26.7 | Very low | 26.4 | Very low | 73 Ų | 73 | 149.9 Ų | 149.9 | 75% | 0.753 | 83% | 0.833 | S | S | * | * | cis | 170.8 | 150.3 | -3 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 630 | S | 27 | Very low | 26.6 | Very low | 136 Ų | 136 | 146 Ų | 146 | 95% | 0.951 | 83% | 0.825 | S | S | * | * | trans | 72.6 | 121 | 154.3 | -172.4 | 0 | 0 | 0 | 0 | 122 | ||||
| 631 | G | 26.3 | Very low | 26 | Very low | 77 Ų | 77 | 148.9 Ų | 148.9 | 79% | 0.794 | 83% | 0.83 | S | S | * | * | trans | 170.1 | 85.3 | 155.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 632 | K | 28 | Very low | 25.9 | Very low | 212 Ų | 212 | 145.9 Ų | 145.9 | 92% | 0.922 | 83% | 0.83 | S | S | * | * | trans | -54.4 | 148.7 | 179 | -72 | 169.5 | 168.3 | 175.6 | 0 | 116.3 | ||||
| 633 | A | 24.6 | Very low | 25.7 | Very low | 106 Ų | 106 | 144.3 Ų | 144.3 | 88% | 0.876 | 83% | 0.827 | S | S | * | * | -171.1 | 136.1 | 119.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 634 | M | 24.4 | Very low | 25.7 | Very low | 160 Ų | 160 | 141.6 Ų | 141.6 | 79% | 0.788 | 82% | 0.822 | S | S | * | * | trans | -88.7 | 157.3 | 177 | -82 | -178.6 | 66.9 | 0 | 0 | 113.2 | ||||
| 635 | L | 23.9 | Very low | 25.6 | Very low | 153 Ų | 153 | 142.7 Ų | 142.7 | 80% | 0.801 | 83% | 0.827 | S | S | * | * | 168.9 | 104.3 | 129.9 | -94.5 | 144.1 | 0 | 0 | 0 | 109.2 | |||||
| 636 | E | 26.5 | Very low | 25.6 | Very low | 146 Ų | 146 | 140 Ų | 140 | 68% | 0.682 | 83% | 0.828 | S | S | * | * | 61.8 | 107.2 | 101.9 | -103.6 | 175.3 | 173.8 | 0 | 0 | 115.9 | |||||
| 637 | E | 26.3 | Very low | 25.6 | Very low | 170 Ų | 170 | 143.5 Ų | 143.5 | 79% | 0.794 | 83% | 0.832 | S | S | * | * | 83.5 | 128.7 | 107.1 | -110.2 | -167.4 | -169.2 | 0 | 0 | 113.2 | |||||
| 638 | V | 24.3 | Very low | 26 | Very low | 123 Ų | 123 | 140 Ų | 140 | 75% | 0.745 | 83% | 0.825 | S | S | * | * | 178.8 | 144 | 76.8 | 165.2 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 639 | L | 26.3 | Very low | 25.9 | Very low | 155 Ų | 155 | 135.3 Ų | 135.3 | 81% | 0.812 | 81% | 0.814 | S | S | * | * | trans | -90.2 | 161.6 | 162.2 | -79.2 | 164.7 | 0 | 0 | 0 | 111.5 | ||||
| 640 | P | 32.3 | Very low | 25.8 | Very low | 128 Ų | 128 | 142.2 Ų | 142.2 | 83% | 0.831 | 82% | 0.817 | S | S | * | * | -143.1 | 158.6 | 124.7 | 29.5 | -10.9 | 0 | 0 | 0 | 116.7 | |||||
| 641 | V | 25.1 | Very low | 25.8 | Very low | 124 Ų | 124 | 142.9 Ų | 142.9 | 75% | 0.752 | 81% | 0.805 | S | S | * | * | trans | -99.7 | 148.3 | 175.5 | 169.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 642 | S | 24.3 | Very low | 25.7 | Very low | 124 Ų | 124 | 146.6 Ų | 146.6 | 87% | 0.867 | 80% | 0.8 | S | S | * | * | trans | -161.2 | 140.6 | 145.7 | 62.6 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 643 | L | 24.3 | Very low | 25.5 | Very low | 156 Ų | 156 | 147.4 Ų | 147.4 | 82% | 0.817 | 80% | 0.797 | S | S | * | * | trans | -95.9 | 155.9 | -177.3 | -88.2 | 119.5 | 0 | 0 | 0 | 114.5 | ||||
| 644 | S | 24 | Very low | 25.5 | Very low | 115 Ų | 115 | 146.7 Ų | 146.7 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | trans | 172.5 | 110.4 | 134.9 | 43.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 645 | Q | 25.2 | Very low | 25.7 | Very low | 202 Ų | 202 | 145 Ų | 145 | 94% | 0.944 | 78% | 0.784 | S | S | * | * | 72.7 | 119.9 | 85 | -89.8 | -167.4 | -8.1 | 0 | 0 | 118.2 | |||||
| 646 | G | 23.3 | Very low | 25.9 | Very low | 84 Ų | 84 | 146 Ų | 146 | 87% | 0.866 | 79% | 0.785 | S | S | * | * | trans | 162.3 | 97.9 | 161.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 647 | Q | 23.6 | Very low | 26.1 | Very low | 187 Ų | 187 | 145.8 Ų | 145.8 | 87% | 0.874 | 79% | 0.788 | S | S | * | * | trans | -94.8 | 173.6 | 177.2 | -120.7 | 178.6 | -17.4 | 0 | 0 | 111.3 | ||||
| 648 | P | 34.2 | Very low | 26.1 | Very low | 109 Ų | 109 | 143.5 Ų | 143.5 | 71% | 0.708 | 79% | 0.786 | S | S | * | * | -154.6 | 155.7 | 52.6 | 39.2 | -15.9 | 0 | 0 | 0 | 121.2 | |||||
| 649 | S | 24.2 | Very low | 26.2 | Very low | 102 Ų | 102 | 140.9 Ų | 140.9 | 71% | 0.713 | 78% | 0.784 | S | S | * | * | trans | 65.3 | 136.6 | 144.8 | 73.5 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 650 | R | 24.1 | Very low | 27 | Very low | 218 Ų | 218 | 139.5 Ų | 139.5 | 82% | 0.823 | 78% | 0.784 | S | S | * | * | -169.8 | 125.3 | 56.3 | -152.5 | 176.9 | -172.7 | 176.3 | 2.4 | 112.4 | |||||
| 651 | Q | 25.5 | Very low | 26.7 | Very low | 149 Ų | 149 | 140.7 Ų | 140.7 | 70% | 0.696 | 78% | 0.783 | S | S | * | * | trans | 44.7 | 140.2 | 143.5 | -71.2 | -175.7 | -22.8 | 0 | 0 | 121.3 | ||||
| 652 | K | 26.2 | Very low | 26.9 | Very low | 156 Ų | 156 | 143 Ų | 143 | 68% | 0.678 | 79% | 0.785 | S | S | * | * | cis | -172.4 | 141.8 | 21.6 | -124.6 | 166.2 | -175.8 | 175.5 | 0 | 110.7 | ||||
| 653 | R | 23.1 | Very low | 27.3 | Very low | 228 Ų | 228 | 144.3 Ų | 144.3 | 86% | 0.86 | 78% | 0.783 | S | S | * | * | trans | 45.4 | 141.9 | 138.1 | -85.3 | -171.7 | 173.7 | 172 | -3.8 | 119.7 | ||||
| 654 | S | 25.1 | Very low | 28.2 | Very low | 92 Ų | 92 | 145.7 Ų | 145.7 | 64% | 0.643 | 78% | 0.784 | S | S | * | * | cis | 164.2 | 146.8 | 6 | 51.7 | 0 | 0 | 0 | 0 | 103.9 | ||||
| 655 | V | 27.7 | Very low | 28.6 | Very low | 125 Ų | 125 | 147.5 Ų | 147.5 | 76% | 0.758 | 79% | 0.785 | S | S | * | * | 177.9 | 133.1 | 63.5 | 158.7 | 0 | 0 | 0 | 0 | 105.2 | |||||
| 656 | E | 28.8 | Very low | 28.9 | Very low | 173 Ų | 173 | 148.1 Ų | 148.1 | 81% | 0.808 | 78% | 0.779 | S | S | * | * | trans | -68.4 | 143.2 | 157.4 | -73 | 166.8 | 130.1 | 0 | 0 | 110.1 | ||||
| 657 | N | 29.6 | Very low | 29.4 | Very low | 142 Ų | 142 | 148.6 Ų | 148.6 | 76% | 0.759 | 77% | 0.767 | S | S | * | * | -174 | 139.3 | 129 | -102.3 | -17.4 | 0 | 0 | 0 | 115.6 | |||||
| 658 | T | 27.5 | Very low | 30.3 | Very low | 121 Ų | 121 | 148.6 Ų | 148.6 | 74% | 0.742 | 77% | 0.767 | S | S | * | * | trans | 68.5 | 111.6 | 137.2 | 57.7 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 659 | G | 26.5 | Very low | 30.8 | Very low | 68 Ų | 68 | 154 Ų | 154 | 70% | 0.701 | 77% | 0.774 | S | S | * | * | trans | -77.4 | -167.2 | 141.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 660 | P | 41.6 | Very low | 31.9 | Very low | 127 Ų | 127 | 157.9 Ų | 157.9 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | -115.4 | 147.1 | -85.8 | 35.3 | -28 | 0 | 0 | 0 | 111.8 | |||||
| 661 | L | 25.6 | Very low | 33.7 | Very low | 152 Ų | 152 | 158 Ų | 158 | 80% | 0.796 | 78% | 0.78 | S | S | * | * | trans | -149.5 | 119.5 | 165.9 | -113.9 | 113.9 | 0 | 0 | 0 | 111.5 | ||||
| 662 | E | 31.1 | Very low | 36.2 | Very low | 172 Ų | 172 | 155.1 Ų | 155.1 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | trans | 51 | 106.3 | 140.3 | -62.9 | -177.5 | 162 | 0 | 0 | 119.4 | H664 | E662-H664 PolarHBondContact O-N 3.12Š| ||
| 663 | D | 32.9 | Very low | 38.8 | Very low | 153 Ų | 153 | 149.9 Ų | 149.9 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | trans | -92.9 | 86.9 | 173.3 | -141.4 | 1 | 0 | 0 | 0 | 110.5 | ||||
| 664 | H | 41.4 | Very low | 41.8 | Very low | 184 Ų | 184 | 140.1 Ų | 140.1 | 85% | 0.852 | 72% | 0.717 | S | S | * | * | trans | -128.2 | 113.6 | 158.2 | -83.2 | -26.5 | 0 | 0 | 0 | 109 | E662 | E662-H664 PolarHBondContact O-N 3.12Š| ||
| 665 | N | 33.5 | Very low | 44.6 | Very low | 153 Ų | 153 | 141.8 Ų | 141.8 | 82% | 0.818 | 72% | 0.719 | S | S | * | * | 147.9 | 78.6 | 120.8 | -152.8 | 17.4 | 0 | 0 | 0 | 111.1 | |||||
| 666 | W | 30.6 | Very low | 47.1 | Very low | 216 Ų | 216 | 141 Ų | 141 | 82% | 0.818 | 72% | 0.717 | S | S | * | * | trans | -87 | 135.2 | 165.7 | -137.4 | -100.4 | 0 | 0 | 0 | 109.8 | Q668 | W666-Q668 PolarHBondContact O-N 3.27Š| ||
| 667 | P | 34.1 | Very low | 50 | Low | 94 Ų | 94 | 136.9 Ų | 136.9 | 61% | 0.61 | 70% | 0.7 | S | S | * | * | trans | -58.5 | 135.5 | -177.5 | -22.7 | 31.7 | 0 | 0 | 0 | 113.1 | Y669 | P667-Y669 PolarHBondContact O-N 3.47Š| ||
| 668 | Q | 42.6 | Very low | 52.8 | Low | 186 Ų | 186 | 131.9 Ų | 131.9 | 87% | 0.869 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.5 | 8 | -175.7 | -114.8 | 171.8 | -5 | 0 | 0 | 116.9 | W666 | W666-Q668 PolarHBondContact O-N 3.27Š|
| 669 | Y | 44.4 | Very low | 55.8 | Low | 222 Ų | 222 | 127 Ų | 127 | 87% | 0.871 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99 | 5.9 | -174.5 | -94.7 | -90.4 | 0 | 0 | 0 | 114.9 | P667 | P667-Y669 PolarHBondContact O-N 3.47Š|
| 670 | F | 47.3 | Very low | 58.8 | Low | 185 Ų | 185 | 128.2 Ų | 128.2 | 81% | 0.811 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -125.3 | 15.7 | -178.6 | -90.1 | -77.7 | 0 | 0 | 0 | 115.4 | ||
| 671 | R | 62.3 | Low | 61 | Low | 221 Ų | 221 | 125.4 Ų | 125.4 | 83% | 0.834 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -85.8 | 130.8 | 167.9 | -74.6 | -170.9 | -177.9 | -173.8 | -0.5 | 109.6 | P673 | R671-P673 WeakPolarHBondContact O-CD 3.02Š|
| 672 | D | 78.2 | Confident | 63.8 | Low | 87 Ų | 87 | 124.7 Ų | 124.7 | 47% | 0.465 | 61% | 0.608 | S | S | . | * | trans | -63.2 | 120.6 | 171.9 | -171.9 | -12.9 | 0 | 0 | 0 | 108.3 | C674 D675 | D672-C674 PolarHBondContact O-N 3.12Å; D672-C674 WeakPolarHBondContact OD1-CB 3.42Å; D672-C674 PolarHBondContact OD1-N 3.22Å; D672-D675 HydrophobicContact CB-CB 4.41Å; D672-D675 PolarHBondContact O-N 3.19Å | ||
| 673 | P | 80.5 | Confident | 66.5 | Low | 47 Ų | 47 | 116.6 Ų | 116.6 | 31% | 0.305 | 57% | 0.57 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -61 | -12.7 | 176.8 | 26.8 | -37.2 | 0 | 0 | 0 | 113.5 | R671 N687 A692 | R671-P673 WeakPolarHBondContact O-CD 3.02Å; P673-N687 VanDerWaalsContact CD-ND2 3.33Å; P673-N687 WeakPolarHBondContact CD-ND2 3.41Å; P673-N687 HydrophobicContact CG-CB 4.25Å; P673-N687 WeakPolarHBondContact CG-ND2 3.26Å; P673-A692 HydrophobicContact CB-CB 4.07Å; P673-A692 WeakPolarHBondContact O-CB 3.48Å |
| 674 | C | 87 | Confident | 69.3 | Low | 22 Ų | 22 | 113.4 Ų | 113.4 | 15% | 0.149 | 56% | 0.557 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -88.9 | 3.7 | 172.6 | -69.2 | 0 | 0 | 0 | 0 | 114.7 | D672 P676 N677 C685 | D672-C674 PolarHBondContact O-N 3.12Å; D672-C674 WeakPolarHBondContact OD1-CB 3.42Å; D672-C674 PolarHBondContact OD1-N 3.22Å; C674-P676 CarbonylContact O-C 3.41Å; C674-P676 VanDerWaalsContact O-C 3.25Å; C674-N677 WeakPolarHBondContact O-CA 3.41Å; C674-N677 PolarHBondContact O-N 3.39Å; C674-C685 WeakPolarHBondContact CA-SG 3.36Å; C674-C685 HydrophobicContact CB-CB 3.65Å; C674-C685 WeakPolarHBondContact CB-SG 3.45Å; C674-C685 WeakPolarHBondContact SG-CB 3.19Å; C674-C685 CovalentContact SG-SG 2.04Å; C674-C685 PolarHBondContact SG-SG 2.94Å |
| 675 | D | 82.8 | Confident | 71.7 | Confident | 128 Ų | 128 | 105.7 Ų | 105.7 | 68% | 0.684 | 52% | 0.523 | S | S | * | . | S | Bend | trans | -124.1 | 109.7 | 177.2 | -171.5 | 14.4 | 0 | 0 | 0 | 112.2 | D672 | D672-D675 HydrophobicContact CB-CB 4.41Å; D672-D675 PolarHBondContact O-N 3.19Å |
| 676 | P | 80.3 | Confident | 74.4 | Confident | 109 Ų | 109 | 100.6 Ų | 100.6 | 71% | 0.708 | 50% | 0.497 | S | S | * | . | S | Bend | cis | -73.9 | 153.4 | -0.7 | 30.3 | -34.8 | 0 | 0 | 0 | 112.8 | C674 P678 | C674-P676 CarbonylContact O-C 3.41Å; C674-P676 VanDerWaalsContact O-C 3.25Å; P676-P678 VanDerWaalsContact O-CD 3.24Å; P676-P678 WeakPolarHBondContact O-CD 3.44Å; P676-P678 VanDerWaalsContact O-N 3.14Å |
| 677 | N | 89.4 | Confident | 77.1 | Confident | 86 Ų | 86 | 94 Ų | 94 | 46% | 0.46 | 48% | 0.478 | S | S | . | . | trans | -58.3 | 115.1 | -177 | -179.1 | -0.7 | 0 | 0 | 0 | 111.1 | C674 C679 G683 C685 | C674-N677 WeakPolarHBondContact O-CA 3.41Å; C674-N677 PolarHBondContact O-N 3.39Å; N677-C679 VanDerWaalsContact C-N 3.3Å; N677-C679 PolarHBondContact O-N 3.36Å; N677-C679 VanDerWaalsContact OD1-CB 3.24Å; N677-C679 WeakPolarHBondContact OD1-CB 3.45Å; N677-C679 PolarHBondContact OD1-N 3.15Å; N677-C679 PolarHBondContact OD1-SG 2.92Å; N677-C679 VanDerWaalsContact OD1-SG 3.32Å; N677-G683 PolarHBondContact ND2-O 3.4Å; N677-G683 VanDerWaalsContact ND2-O 3.15Å; N677-C685 VanDerWaalsContact OD1-CB 3.27Å; N677-C685 WeakPolarHBondContact OD1-CB 3.17Å | ||
| 678 | P | 88.9 | Confident | 79.5 | Confident | 37 Ų | 37 | 92.9 Ų | 92.9 | 24% | 0.24 | 47% | 0.469 | C | S | . | . | trans | -82.8 | -2.4 | -177 | 33.4 | -35.2 | 0 | 0 | 0 | 114.3 | P676 A692 | P676-P678 VanDerWaalsContact O-CD 3.24Å; P676-P678 WeakPolarHBondContact O-CD 3.44Å; P676-P678 VanDerWaalsContact O-N 3.14Å; P678-A692 HydrophobicContact CG-CB 3.63Å | ||
| 679 | C | 91.7 | Very high | 81.2 | Confident | 17 Ų | 17 | 94 Ų | 94 | 12% | 0.115 | 47% | 0.471 | C | S | . | . | trans | -82.3 | 143.8 | -177.7 | -54.2 | 0 | 0 | 0 | 0 | 112.2 | N677 G683 C685 C694 | N677-C679 VanDerWaalsContact C-N 3.3Å; N677-C679 PolarHBondContact O-N 3.36Å; N677-C679 VanDerWaalsContact OD1-CB 3.24Å; N677-C679 WeakPolarHBondContact OD1-CB 3.45Å; N677-C679 PolarHBondContact OD1-N 3.15Å; N677-C679 PolarHBondContact OD1-SG 2.92Å; N677-C679 VanDerWaalsContact OD1-SG 3.32Å; C679-G683 WeakPolarHBondContact CB-O 3.46Å; C679-C685 VanDerWaalsContact SG-CA 3.57Å; C679-C694 WeakPolarHBondContact CA-SG 3.31Å; C679-C694 HydrophobicContact CB-CB 3.78Å; C679-C694 WeakPolarHBondContact CB-SG 3.31Å; C679-C694 WeakPolarHBondContact SG-CA 3.22Å; C679-C694 WeakPolarHBondContact SG-CB 3.44Å; C679-C694 CovalentContact SG-SG 2.02Å; C679-C694 PolarHBondContact SG-SG 2.74Å | ||
| 680 | Q | 87.9 | Confident | 82.9 | Confident | 95 Ų | 95 | 86 Ų | 86 | 44% | 0.444 | 46% | 0.456 | S | S | . | . | S | Bend | trans | -100.5 | 165.5 | 177.9 | -59 | -178 | -0.3 | 0 | 0 | 110.7 | D682 G683 R708 C709 Q710 | Q680-D682 VanDerWaalsContact C-N 3.29Å; Q680-D682 PolarHBondContact O-N 2.87Å; Q680-G683 PolarHBondContact O-N 3.05Å; Q680-R708 WeakPolarHBondContact CB-O 3.37Å; Q680-R708 PolarHBondContact N-O 3.12Å; Q680-C709 WeakPolarHBondContact O-CB 3.37Å; Q680-Q710 VanDerWaalsContact OE1-CB 3.32Å |
| 681 | N | 88.5 | Confident | 84.3 | Confident | 67 Ų | 67 | 84.1 Ų | 84.1 | 36% | 0.358 | 45% | 0.452 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.2 | 47.5 | 175.6 | -54.9 | -44.2 | 0 | 0 | 0 | 112.8 | G683 Y704 C709 | N681-G683 PolarHBondContact O-N 3Å; N681-G683 VanDerWaalsContact O-N 3.11Å; N681-Y704 HydrophobicContact CB-CD1 3.89Å; N681-Y704 HydrophobicContact CB-CD2 4.19Å; N681-Y704 HydrophobicContact CB-CE1 3.79Å; N681-Y704 HydrophobicContact CB-CE2 4.08Å; N681-Y704 HydrophobicContact CB-CG 4.09Å; N681-C709 PolarHBondContact ND2-O 3.09Å |
| 682 | D | 85.1 | Confident | 85.6 | Confident | 138 Ų | 138 | 75.5 Ų | 75.5 | 74% | 0.738 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.9 | 23.5 | -179 | -52.7 | -46.8 | 0 | 0 | 0 | 114.6 | Q680 V684 I697 | Q680-D682 VanDerWaalsContact C-N 3.29Å; Q680-D682 PolarHBondContact O-N 2.87Å; D682-V684 PolarHBondContact O-N 3.46Å; D682-I697 HydrophobicContact CB-CD1 3.57Å; D682-I697 WeakPolarHBondContact O-CD1 3.25Å |
| 683 | G | 87.4 | Confident | 86.3 | Confident | 1 Ų | 1 | 73.6 Ų | 73.6 | 1% | 0.01 | 42% | 0.421 | C | S | . | . | P | Polyproline II helix | trans | -59.2 | 136.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | N677 C679 Q680 N681 R695 | N677-G683 PolarHBondContact ND2-O 3.4Å; N677-G683 VanDerWaalsContact ND2-O 3.15Å; C679-G683 WeakPolarHBondContact CB-O 3.46Å; Q680-G683 PolarHBondContact O-N 3.05Å; N681-G683 PolarHBondContact O-N 3Å; N681-G683 VanDerWaalsContact O-N 3.11Å; G683-R695 WeakPolarHBondContact CA-O 3.27Å |
| 684 | V | 90.8 | Very high | 86.9 | Confident | 87 Ų | 87 | 72.2 Ų | 72.2 | 53% | 0.527 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 119.3 | 178.3 | -179.7 | 0 | 0 | 0 | 0 | 109 | D682 R695 | D682-V684 PolarHBondContact O-N 3.46Å; V684-R695 HydrophobicContact CB-CB 4.34Å; V684-R695 PolarHBondContact N-O 3.22Å; V684-R695 PolarHBondContact O-N 2.67Å |
| 685 | C | 91.8 | Very high | 87.1 | Confident | 21 Ų | 21 | 78.7 Ų | 78.7 | 14% | 0.142 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 131.2 | 172.9 | -173 | 0 | 0 | 0 | 0 | 110.8 | C674 N677 C679 A692 | C674-C685 WeakPolarHBondContact CA-SG 3.36Å; C674-C685 HydrophobicContact CB-CB 3.65Å; C674-C685 WeakPolarHBondContact CB-SG 3.45Å; C674-C685 WeakPolarHBondContact SG-CB 3.19Å; C674-C685 CovalentContact SG-SG 2.04Å; C674-C685 PolarHBondContact SG-SG 2.94Å; N677-C685 VanDerWaalsContact OD1-CB 3.27Å; N677-C685 WeakPolarHBondContact OD1-CB 3.17Å; C679-C685 VanDerWaalsContact SG-CA 3.57Å; C685-A692 VanDerWaalsContact SG-CB 3.52Å |
| 686 | V | 91.3 | Very high | 87.5 | Confident | 47 Ų | 47 | 74.6 Ų | 74.6 | 29% | 0.285 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 129.9 | 170.2 | -67 | 0 | 0 | 0 | 0 | 109.3 | V688 S693 R695 | V686-V688 HydrophobicContact CG2-CG2 4Å; V686-V688 PolarHBondContact O-N 2.98Å; V686-S693 VanDerWaalsContact CG2-O 3.26Å; V686-S693 WeakPolarHBondContact CG2-O 3.42Å; V686-S693 PolarHBondContact N-O 2.61Å; V686-S693 PolarHBondContact O-N 2.92Å; V686-R695 HydrophobicContact CG1-CG 4.29Å; V686-R695 HydrophobicContact CG2-CG 3.93Å |
| 687 | N | 87.5 | Confident | 87.6 | Confident | 78 Ų | 78 | 73.1 Ų | 73.1 | 42% | 0.417 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 110 | 175.2 | -176.7 | -14.9 | 0 | 0 | 0 | 109.6 | P673 G690 | P673-N687 VanDerWaalsContact CD-ND2 3.33Å; P673-N687 WeakPolarHBondContact CD-ND2 3.41Å; P673-N687 HydrophobicContact CG-CB 4.25Å; P673-N687 WeakPolarHBondContact CG-ND2 3.26Å; N687-G690 WeakPolarHBondContact OD1-CA 3.41Å; N687-G690 PolarHBondContact OD1-N 2.98Å |
| 688 | V | 83.7 | Confident | 87.3 | Confident | 69 Ų | 69 | 73 Ų | 73 | 42% | 0.418 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 106 | 178.4 | -176.7 | 0 | 0 | 0 | 0 | 108.1 | V686 G690 M691 | V686-V688 HydrophobicContact CG2-CG2 4Å; V686-V688 PolarHBondContact O-N 2.98Å; V688-G690 VanDerWaalsContact C-N 3.3Å; V688-G690 PolarHBondContact O-N 3.35Å; V688-M691 PolarHBondContact N-O 3.08Å; V688-M691 PolarHBondContact O-N 3.24Å |
| 689 | K | 78.7 | Confident | 86.8 | Confident | 210 Ų | 210 | 72.1 Ų | 72.1 | 91% | 0.913 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | 38.6 | 178.6 | -58.5 | 178.5 | 176.8 | 178.1 | 0 | 113.8 | ||
| 690 | G | 79.4 | Confident | 85.6 | Confident | 54 Ų | 54 | 77.6 Ų | 77.6 | 56% | 0.557 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.1 | 9.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | N687 V688 | N687-G690 WeakPolarHBondContact OD1-CA 3.41Å; N687-G690 PolarHBondContact OD1-N 2.98Å; V688-G690 VanDerWaalsContact C-N 3.3Å; V688-G690 PolarHBondContact O-N 3.35Å |
| 691 | M | 77.7 | Confident | 84.8 | Confident | 145 Ų | 145 | 75 Ų | 75 | 71% | 0.714 | 44% | 0.435 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 140.7 | 175.3 | -59.7 | -177.8 | 81.3 | 0 | 0 | 110.1 | V688 S693 | V688-M691 PolarHBondContact N-O 3.08Å; V688-M691 PolarHBondContact O-N 3.24Å; M691-S693 PolarHBondContact O-N 3.4Å |
| 692 | A | 88.7 | Confident | 84.5 | Confident | 41 Ų | 41 | 75.4 Ų | 75.4 | 34% | 0.339 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 127.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | P673 P678 C685 | P673-A692 HydrophobicContact CB-CB 4.07Å; P673-A692 WeakPolarHBondContact O-CB 3.48Å; P678-A692 HydrophobicContact CG-CB 3.63Å; C685-A692 VanDerWaalsContact SG-CB 3.52Å |
| 693 | S | 92.9 | Very high | 84.6 | Confident | 46 Ų | 46 | 71.8 Ų | 71.8 | 32% | 0.322 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 131.8 | 172.7 | 179.6 | 0 | 0 | 0 | 0 | 109.1 | V686 M691 | V686-S693 VanDerWaalsContact CG2-O 3.26Å; V686-S693 WeakPolarHBondContact CG2-O 3.42Å; V686-S693 PolarHBondContact N-O 2.61Å; V686-S693 PolarHBondContact O-N 2.92Å; M691-S693 PolarHBondContact O-N 3.4Å |
| 694 | C | 93.6 | Very high | 84.7 | Confident | 18 Ų | 18 | 74.3 Ų | 74.3 | 12% | 0.122 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 135.6 | -178.5 | -63.1 | 0 | 0 | 0 | 0 | 112.5 | C679 E707 | C679-C694 WeakPolarHBondContact CA-SG 3.31Å; C679-C694 HydrophobicContact CB-CB 3.78Å; C679-C694 WeakPolarHBondContact CB-SG 3.31Å; C679-C694 WeakPolarHBondContact SG-CA 3.22Å; C679-C694 WeakPolarHBondContact SG-CB 3.44Å; C679-C694 CovalentContact SG-SG 2.02Å; C679-C694 PolarHBondContact SG-SG 2.74Å; C694-E707 WeakPolarHBondContact CB-O 3.33Å |
| 695 | R | 91.6 | Very high | 84.5 | Confident | 159 Ų | 159 | 72.3 Ų | 72.3 | 60% | 0.6 | 41% | 0.408 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 113.1 | 169.5 | -61.9 | -62.5 | -175.8 | 174.4 | -0.6 | 108.5 | G683 V684 V686 | G683-R695 WeakPolarHBondContact CA-O 3.27Å; V684-R695 HydrophobicContact CB-CB 4.34Å; V684-R695 PolarHBondContact N-O 3.22Å; V684-R695 PolarHBondContact O-N 2.67Å; V686-R695 HydrophobicContact CG1-CG 4.29Å; V686-R695 HydrophobicContact CG2-CG 3.93Å |
| 696 | C | 90.8 | Very high | 84.2 | Confident | 42 Ų | 42 | 73.2 Ų | 73.2 | 28% | 0.284 | 42% | 0.421 | S | S | . | . | trans | -85.1 | 140.4 | -173.7 | -50.7 | 0 | 0 | 0 | 0 | 111.7 | Y704 C709 | C696-Y704 WeakPolarHBondContact CB-O 3.36Å; C696-C709 WeakPolarHBondContact CA-SG 3.43Å; C696-C709 HydrophobicContact CB-CB 3.69Å; C696-C709 WeakPolarHBondContact CB-SG 3.29Å; C696-C709 PolarHBondContact N-SG 3.26Å; C696-C709 VanDerWaalsContact N-SG 3.39Å; C696-C709 WeakPolarHBondContact SG-CA 2.99Å; C696-C709 WeakPolarHBondContact SG-CB 3.32Å; C696-C709 CovalentContact SG-SG 2.03Å; C696-C709 PolarHBondContact SG-SG 3.49Å | ||
| 697 | I | 83 | Confident | 84 | Confident | 77 Ų | 77 | 79.5 Ų | 79.5 | 40% | 0.395 | 45% | 0.448 | S | S | . | . | trans | -69.8 | 138.5 | 176.6 | -61.3 | 175.1 | 0 | 0 | 0 | 109.4 | D682 Y704 | D682-I697 HydrophobicContact CB-CD1 3.57Å; D682-I697 WeakPolarHBondContact O-CD1 3.25Å; I697-Y704 PolarHBondContact O-N 3.28Å; I697-Y704 VanDerWaalsContact O-N 3.09Å | ||
| 698 | S | 83 | Confident | 84.1 | Confident | 83 Ų | 83 | 82.4 Ų | 82.4 | 58% | 0.58 | 45% | 0.453 | S | S | * | . | B | Isolated β-bridge | trans | -123.9 | 119.3 | 173.7 | -173.1 | 0 | 0 | 0 | 0 | 108.8 | F703 | S698-F703 WeakPolarHBondContact OG-CB 3.3Å |
| 699 | G | 77.8 | Confident | 84.4 | Confident | 20 Ų | 20 | 79.1 Ų | 79.1 | 21% | 0.206 | 43% | 0.433 | C | S | . | . | trans | -102.2 | 178.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | A701 F702 | G699-A701 VanDerWaalsContact C-N 3.27Å; G699-A701 PolarHBondContact O-N 2.91Å; G699-F702 CarbonylContact C-O 3.55Å; G699-F702 WeakPolarHBondContact CA-O 3.38Å; G699-F702 PolarHBondContact N-O 3.27Å | ||
| 700 | P | 67.3 | Low | 85 | Confident | 131 Ų | 131 | 73.9 Ų | 73.9 | 85% | 0.851 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -65.9 | -27.3 | -177.2 | -19.9 | 31.4 | 0 | 0 | 0 | 114 | ||
| 701 | A | 70.4 | Confident | 85.3 | Confident | 42 Ų | 42 | 73 Ų | 73 | 35% | 0.347 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -108.9 | -28 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | G699 V714 H715 V718 | G699-A701 VanDerWaalsContact C-N 3.27Å; G699-A701 PolarHBondContact O-N 2.91Å; A701-V714 WeakPolarHBondContact O-CA 3.37Å; A701-V714 WeakPolarHBondContact O-CG1 3.44Å; A701-H715 PolarHBondContact O-N 3.11Å; A701-V718 HydrophobicContact CB-CG2 4.45Å |
| 702 | F | 82.6 | Confident | 85.7 | Confident | 74 Ų | 74 | 70.9 Ų | 70.9 | 33% | 0.325 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 157.2 | -176.7 | 63.6 | -92.4 | 0 | 0 | 0 | 111.5 | G699 Y704 M712 Q713 | G699-F702 CarbonylContact C-O 3.55Å; G699-F702 WeakPolarHBondContact CA-O 3.38Å; G699-F702 PolarHBondContact N-O 3.27Å; F702-Y704 HydrophobicContact CD2-CE2 4.07Å; F702-Y704 AromaticContact CE2-CE2 3.7Å; F702-Y704 HydrophobicContact CE2-CE2 3.7Å; F702-M712 HydrophobicContact CB-CE 3.51Å; F702-M712 HydrophobicContact CB-CG 4.31Å; F702-M712 HydrophobicContact CD1-CE 3.78Å; F702-M712 HydrophobicContact CD2-CE 3.67Å; F702-M712 HydrophobicContact CD2-CG 4.35Å; F702-M712 HydrophobicContact CE1-CE 4.41Å; F702-M712 HydrophobicContact CE2-CE 4.33Å; F702-M712 HydrophobicContact CG-CE 3.36Å; F702-Q713 CarbonylContact C-O 3.43Å; F702-Q713 WeakPolarHBondContact CA-O 3.25Å; F702-Q713 WeakPolarHBondContact CB-O 3.36Å |
| 703 | F | 86.8 | Confident | 85.4 | Confident | 62 Ų | 62 | 73.4 Ų | 73.4 | 27% | 0.272 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 146.9 | 176.5 | 60 | -83.5 | 0 | 0 | 0 | 110 | S698 T705 Q713 | S698-F703 WeakPolarHBondContact OG-CB 3.3Å; F703-T705 HydrophobicContact CD2-CG2 3.47Å; F703-T705 VanDerWaalsContact CD2-CG2 3.47Å; F703-T705 HydrophobicContact CE2-CG2 3.41Å; F703-T705 VanDerWaalsContact CE2-CG2 3.41Å; F703-Q713 HydrophobicContact CD1-CB 4.11Å; F703-Q713 HydrophobicContact CD2-CB 3.95Å; F703-Q713 HydrophobicContact CE1-CB 3.69Å; F703-Q713 HydrophobicContact CE2-CB 3.53Å; F703-Q713 HydrophobicContact CE2-CG 3.93Å; F703-Q713 HydrophobicContact CG-CB 4.22Å; F703-Q713 HydrophobicContact CZ-CB 3.38Å; F703-Q713 HydrophobicContact CZ-CG 4.1Å; F703-Q713 PolarHBondContact N-O 3.23Å; F703-Q713 PolarHBondContact O-N 2.81Å |
| 704 | Y | 90.1 | Very high | 84.8 | Confident | 54 Ų | 54 | 75 Ų | 75 | 21% | 0.212 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 146.1 | 175.7 | -65 | -78.8 | 0 | 0 | 0 | 111.1 | N681 C696 I697 F702 A711 M712 | N681-Y704 HydrophobicContact CB-CD1 3.89Å; N681-Y704 HydrophobicContact CB-CD2 4.19Å; N681-Y704 HydrophobicContact CB-CE1 3.79Å; N681-Y704 HydrophobicContact CB-CE2 4.08Å; N681-Y704 HydrophobicContact CB-CG 4.09Å; C696-Y704 WeakPolarHBondContact CB-O 3.36Å; I697-Y704 PolarHBondContact O-N 3.28Å; I697-Y704 VanDerWaalsContact O-N 3.09Å; F702-Y704 HydrophobicContact CD2-CE2 4.07Å; F702-Y704 AromaticContact CE2-CE2 3.7Å; F702-Y704 HydrophobicContact CE2-CE2 3.7Å; Y704-A711 CarbonylContact C-O 3.49Å; Y704-A711 WeakPolarHBondContact CA-O 3.39Å; Y704-M712 HydrophobicContact CD1-CB 3.86Å; Y704-M712 HydrophobicContact CD1-CG 4.25Å; Y704-M712 HydrophobicContact CE1-CB 3.66Å; Y704-M712 HydrophobicContact CE1-CG 3.83Å; Y704-M712 HydrophobicContact CE1-SD 4.47Å |
| 705 | T | 85.9 | Confident | 83.9 | Confident | 45 Ų | 45 | 77.6 Ų | 77.6 | 28% | 0.276 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 164.3 | -176.6 | 60.3 | 0 | 0 | 0 | 0 | 111 | F703 C709 Q710 A711 Q713 | F703-T705 HydrophobicContact CD2-CG2 3.47Å; F703-T705 VanDerWaalsContact CD2-CG2 3.47Å; F703-T705 HydrophobicContact CE2-CG2 3.41Å; F703-T705 VanDerWaalsContact CE2-CG2 3.41Å; T705-C709 CarbonylContact O-C 3.44Å; T705-Q710 PolarHBondContact O-N 3.06Å; T705-A711 PolarHBondContact N-O 2.63Å; T705-A711 WeakPolarHBondContact O-CB 3.47Å; T705-A711 PolarHBondContact O-N 2.9Å; T705-A711 PolarHBondContact OG1-O 3.23Å; T705-Q713 HydrophobicContact CG2-CG 3.96Å |
| 706 | G | 85.3 | Confident | 82.6 | Confident | 40 Ų | 40 | 72.8 Ų | 72.8 | 41% | 0.412 | 41% | 0.411 | S | S | . | . | S | Bend | trans | 102.1 | 161.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | R708 C709 | G706-R708 PolarHBondContact O-N 3.03Å; G706-R708 VanDerWaalsContact O-N 3.09Å; G706-C709 PolarHBondContact O-N 2.85Å |
| 707 | E | 86.9 | Confident | 81.4 | Confident | 180 Ų | 180 | 74.5 Ų | 74.5 | 84% | 0.841 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -23.8 | -173.9 | -64.7 | -172.3 | 161.6 | 0 | 0 | 114.2 | C694 | C694-E707 WeakPolarHBondContact CB-O 3.33Š|
| 708 | R | 89.8 | Confident | 80.4 | Confident | 139 Ų | 139 | 72.9 Ų | 72.9 | 53% | 0.525 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.6 | 17.1 | 175.7 | -62.7 | -174.1 | 178.8 | -171.2 | -1.3 | 113 | Q680 G706 Q710 | Q680-R708 WeakPolarHBondContact CB-O 3.37Å; Q680-R708 PolarHBondContact N-O 3.12Å; G706-R708 PolarHBondContact O-N 3.03Å; G706-R708 VanDerWaalsContact O-N 3.09Å; R708-Q710 VanDerWaalsContact C-N 3.25Å; R708-Q710 PolarHBondContact O-N 3.19Å |
| 709 | C | 91.1 | Very high | 79.1 | Confident | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 42% | 0.417 | C | S | . | . | S | Bend | trans | 62.4 | 28.1 | -176.6 | -49.9 | 0 | 0 | 0 | 0 | 114.8 | Q680 N681 C696 T705 G706 A711 | Q680-C709 WeakPolarHBondContact O-CB 3.37Å; N681-C709 PolarHBondContact ND2-O 3.09Å; C696-C709 WeakPolarHBondContact CA-SG 3.43Å; C696-C709 HydrophobicContact CB-CB 3.69Å; C696-C709 WeakPolarHBondContact CB-SG 3.29Å; C696-C709 PolarHBondContact N-SG 3.26Å; C696-C709 VanDerWaalsContact N-SG 3.39Å; C696-C709 WeakPolarHBondContact SG-CA 2.99Å; C696-C709 WeakPolarHBondContact SG-CB 3.32Å; C696-C709 CovalentContact SG-SG 2.03Å; C696-C709 PolarHBondContact SG-SG 3.49Å; T705-C709 CarbonylContact O-C 3.44Å; G706-C709 PolarHBondContact O-N 2.85Å; C709-A711 VanDerWaalsContact C-N 3.35Å; C709-A711 PolarHBondContact O-N 3.19Å |
| 710 | Q | 90 | Very high | 78.2 | Confident | 100 Ų | 100 | 75.1 Ų | 75.1 | 47% | 0.467 | 43% | 0.428 | S | S | . | . | trans | -74.3 | -18.1 | -173.3 | 67.9 | -86.9 | 21 | 0 | 0 | 114.9 | Q680 T705 R708 | Q680-Q710 VanDerWaalsContact OE1-CB 3.32Å; T705-Q710 PolarHBondContact O-N 3.06Å; R708-Q710 VanDerWaalsContact C-N 3.25Å; R708-Q710 PolarHBondContact O-N 3.19Å | ||
| 711 | A | 86.9 | Confident | 77.9 | Confident | 36 Ų | 36 | 75.3 Ų | 75.3 | 30% | 0.298 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 114.1 | -170.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y704 T705 C709 | Y704-A711 CarbonylContact C-O 3.49Å; Y704-A711 WeakPolarHBondContact CA-O 3.39Å; T705-A711 PolarHBondContact N-O 2.63Å; T705-A711 WeakPolarHBondContact O-CB 3.47Å; T705-A711 PolarHBondContact O-N 2.9Å; T705-A711 PolarHBondContact OG1-O 3.23Å; C709-A711 VanDerWaalsContact C-N 3.35Å; C709-A711 PolarHBondContact O-N 3.19Å |
| 712 | M | 85.5 | Confident | 77.6 | Confident | 100 Ų | 100 | 77.6 Ų | 77.6 | 49% | 0.493 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 137.5 | 173.3 | -168.6 | -175 | 178.8 | 0 | 0 | 111.2 | F702 Y704 | F702-M712 HydrophobicContact CB-CE 3.51Å; F702-M712 HydrophobicContact CB-CG 4.31Å; F702-M712 HydrophobicContact CD1-CE 3.78Å; F702-M712 HydrophobicContact CD2-CE 3.67Å; F702-M712 HydrophobicContact CD2-CG 4.35Å; F702-M712 HydrophobicContact CE1-CE 4.41Å; F702-M712 HydrophobicContact CE2-CE 4.33Å; F702-M712 HydrophobicContact CG-CE 3.36Å; Y704-M712 HydrophobicContact CD1-CB 3.86Å; Y704-M712 HydrophobicContact CD1-CG 4.25Å; Y704-M712 HydrophobicContact CE1-CB 3.66Å; Y704-M712 HydrophobicContact CE1-CG 3.83Å; Y704-M712 HydrophobicContact CE1-SD 4.47Å |
| 713 | Q | 82.6 | Confident | 76.7 | Confident | 93 Ų | 93 | 79.1 Ų | 79.1 | 44% | 0.435 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 148 | 175.4 | -64.7 | -63.9 | -38.2 | 0 | 0 | 109.4 | F702 F703 T705 | F702-Q713 CarbonylContact C-O 3.43Å; F702-Q713 WeakPolarHBondContact CA-O 3.25Å; F702-Q713 WeakPolarHBondContact CB-O 3.36Å; F703-Q713 HydrophobicContact CD1-CB 4.11Å; F703-Q713 HydrophobicContact CD2-CB 3.95Å; F703-Q713 HydrophobicContact CE1-CB 3.69Å; F703-Q713 HydrophobicContact CE2-CB 3.53Å; F703-Q713 HydrophobicContact CE2-CG 3.93Å; F703-Q713 HydrophobicContact CG-CB 4.22Å; F703-Q713 HydrophobicContact CZ-CB 3.38Å; F703-Q713 HydrophobicContact CZ-CG 4.1Å; F703-Q713 PolarHBondContact N-O 3.23Å; F703-Q713 PolarHBondContact O-N 2.81Å; T705-Q713 HydrophobicContact CG2-CG 3.96Å |
| 714 | V | 79.4 | Confident | 75.5 | Confident | 80 Ų | 80 | 78.2 Ų | 78.2 | 49% | 0.485 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 138.9 | 179.6 | 178.4 | 0 | 0 | 0 | 0 | 109.1 | A701 G716 V718 | A701-V714 WeakPolarHBondContact O-CA 3.37Å; A701-V714 WeakPolarHBondContact O-CG1 3.44Å; V714-G716 PolarHBondContact O-N 3.08Å; V714-V718 HydrophobicContact CG1-CB 4.22Å; V714-V718 HydrophobicContact CG1-CG1 4.43Å |
| 715 | H | 74.9 | Confident | 74.4 | Confident | 72 Ų | 72 | 77.6 Ų | 77.6 | 33% | 0.333 | 46% | 0.457 | S | S | . | . | trans | -60.5 | 130.1 | 177 | -92.2 | -73.7 | 0 | 0 | 0 | 111.1 | A701 S717 V718 L719 | A701-H715 PolarHBondContact O-N 3.11Å; H715-S717 PolarHBondContact O-N 3.24Å; H715-S717 VanDerWaalsContact O-N 3.09Å; H715-V718 HydrophobicContact CB-CG2 4.29Å; H715-V718 WeakPolarHBondContact O-CB 3.18Å; H715-V718 PolarHBondContact O-N 3.32Å; H715-L719 PolarHBondContact O-N 3.39Å | ||
| 716 | G | 64.9 | Low | 73.4 | Confident | 58 Ų | 58 | 79.2 Ų | 79.2 | 60% | 0.598 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -59 | -24 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | V714 L719 G720 | V714-G716 PolarHBondContact O-N 3.08Å; G716-L719 PolarHBondContact O-N 2.93Å; G716-G720 PolarHBondContact O-N 2.61Å |
| 717 | S | 64.8 | Low | 72.6 | Confident | 79 Ų | 79 | 80 Ų | 80 | 55% | 0.552 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -66.4 | -34.7 | 173.5 | 50.9 | 0 | 0 | 0 | 0 | 112.9 | H715 G720 M721 | H715-S717 PolarHBondContact O-N 3.24Å; H715-S717 VanDerWaalsContact O-N 3.09Å; S717-G720 PolarHBondContact O-N 3.06Å; S717-M721 PolarHBondContact O-N 3.3Å; S717-M721 VanDerWaalsContact O-N 3.12Å |
| 718 | V | 61.8 | Low | 71.8 | Confident | 42 Ų | 42 | 73 Ų | 73 | 26% | 0.255 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -73.5 | -40.7 | 177.5 | -178 | 0 | 0 | 0 | 0 | 110.3 | A701 V714 H715 G720 M721 V722 | A701-V718 HydrophobicContact CB-CG2 4.45Å; V714-V718 HydrophobicContact CG1-CB 4.22Å; V714-V718 HydrophobicContact CG1-CG1 4.43Å; H715-V718 HydrophobicContact CB-CG2 4.29Å; H715-V718 WeakPolarHBondContact O-CB 3.18Å; H715-V718 PolarHBondContact O-N 3.32Å; V718-G720 VanDerWaalsContact C-N 3.28Å; V718-G720 PolarHBondContact O-N 3.2Å; V718-M721 HydrophobicContact CG2-CE 4.42Å; V718-M721 PolarHBondContact O-N 3.16Å; V718-V722 WeakPolarHBondContact O-CG2 3.45Å; V718-V722 PolarHBondContact O-N 2.81Å; V718-V722 VanDerWaalsContact O-N 3.11Å |
| 719 | L | 56.8 | Low | 71.1 | Confident | 108 Ų | 108 | 70.9 Ų | 70.9 | 57% | 0.565 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -61.5 | -39 | 173.4 | -165.9 | 69.8 | 0 | 0 | 0 | 111.5 | H715 G716 V722 I723 | H715-L719 PolarHBondContact O-N 3.39Å; G716-L719 PolarHBondContact O-N 2.93Å; L719-V722 PolarHBondContact O-N 3.46Å; L719-I723 HydrophobicContact CG-CD1 4.16Å; L719-I723 WeakPolarHBondContact O-CG1 3.15Å; L719-I723 PolarHBondContact O-N 2.83Å; L719-I723 VanDerWaalsContact O-N 3.12Å |
| 720 | G | 57.4 | Low | 70.4 | Confident | 43 Ų | 43 | 75.5 Ų | 75.5 | 44% | 0.443 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -62.5 | -39.2 | 174 | 0 | 0 | 0 | 0 | 0 | 113.7 | G716 S717 V718 G724 | G716-G720 PolarHBondContact O-N 2.61Å; S717-G720 PolarHBondContact O-N 3.06Å; V718-G720 VanDerWaalsContact C-N 3.28Å; V718-G720 PolarHBondContact O-N 3.2Å; G720-G724 PolarHBondContact O-N 2.88Å |
| 721 | M | 61.5 | Low | 69.7 | Low | 134 Ų | 134 | 78.2 Ų | 78.2 | 66% | 0.66 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -68.7 | -37 | 176.5 | -77.4 | -170.9 | -73.2 | 0 | 0 | 112.9 | S717 V718 G725 | S717-M721 PolarHBondContact O-N 3.3Å; S717-M721 VanDerWaalsContact O-N 3.12Å; V718-M721 HydrophobicContact CG2-CE 4.42Å; V718-M721 PolarHBondContact O-N 3.16Å; M721-G725 PolarHBondContact O-N 2.89Å |
| 722 | V | 63.7 | Low | 69.2 | Low | 91 Ų | 91 | 81.7 Ų | 81.7 | 55% | 0.552 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -68.9 | -41.2 | 177.8 | 176.3 | 0 | 0 | 0 | 0 | 111.3 | V718 L719 T726 | V718-V722 WeakPolarHBondContact O-CG2 3.45Å; V718-V722 PolarHBondContact O-N 2.81Å; V718-V722 VanDerWaalsContact O-N 3.11Å; L719-V722 PolarHBondContact O-N 3.46Å; V722-T726 WeakPolarHBondContact O-CG2 3.34Å; V722-T726 PolarHBondContact O-N 2.67Å; V722-T726 VanDerWaalsContact O-N 3.11Å; V722-T726 PolarHBondContact O-OG1 2.99Å |
| 723 | I | 64 | Low | 68.9 | Low | 105 Ų | 105 | 80.2 Ų | 80.2 | 54% | 0.538 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -70.2 | -40.2 | 176.7 | -63.2 | 170 | 0 | 0 | 0 | 110.9 | L719 T726 A727 | L719-I723 HydrophobicContact CG-CD1 4.16Å; L719-I723 WeakPolarHBondContact O-CG1 3.15Å; L719-I723 PolarHBondContact O-N 2.83Å; L719-I723 VanDerWaalsContact O-N 3.12Å; I723-T726 WeakPolarHBondContact CA-OG1 3.4Å; I723-T726 PolarHBondContact O-OG1 3Å; I723-A727 WeakPolarHBondContact O-CB 3.32Å; I723-A727 PolarHBondContact O-N 2.98Å; I723-A727 VanDerWaalsContact O-N 3.14Å |
| 724 | G | 62.9 | Low | 68.8 | Low | 44 Ų | 44 | 82.4 Ų | 82.4 | 45% | 0.454 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.9 | -41.7 | 176 | 0 | 0 | 0 | 0 | 0 | 113.1 | G720 A727 G728 | G720-G724 PolarHBondContact O-N 2.88Å; G724-A727 PolarHBondContact O-N 2.96Å; G724-G728 PolarHBondContact O-N 2.97Å |
| 725 | G | 66.5 | Low | 68.6 | Low | 40 Ų | 40 | 81 Ų | 81 | 41% | 0.412 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.4 | -42.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | M721 G728 V729 | M721-G725 PolarHBondContact O-N 2.89Å; G725-G728 PolarHBondContact O-N 3.27Å; G725-V729 WeakPolarHBondContact O-CG2 3.03Å; G725-V729 PolarHBondContact O-N 2.84Å |
| 726 | T | 65.4 | Low | 68.8 | Low | 79 Ų | 79 | 81.7 Ų | 81.7 | 49% | 0.485 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.2 | -41.4 | 176.9 | 43.3 | 0 | 0 | 0 | 0 | 112.3 | V722 I723 G728 V729 I730 | V722-T726 WeakPolarHBondContact O-CG2 3.34Å; V722-T726 PolarHBondContact O-N 2.67Å; V722-T726 VanDerWaalsContact O-N 3.11Å; V722-T726 PolarHBondContact O-OG1 2.99Å; I723-T726 WeakPolarHBondContact CA-OG1 3.4Å; I723-T726 PolarHBondContact O-OG1 3Å; T726-G728 VanDerWaalsContact C-N 3.35Å; T726-G728 PolarHBondContact O-N 3.15Å; T726-V729 PolarHBondContact O-N 2.7Å; T726-I730 VanDerWaalsContact O-CG1 3.31Å; T726-I730 WeakPolarHBondContact O-CG1 3.16Å; T726-I730 PolarHBondContact O-N 3.41Å; T726-I730 VanDerWaalsContact O-N 3.17Å |
| 727 | A | 68.1 | Low | 69.4 | Low | 57 Ų | 57 | 83.9 Ų | 83.9 | 47% | 0.471 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63 | -40.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | I723 G724 I730 F731 | I723-A727 WeakPolarHBondContact O-CB 3.32Å; I723-A727 PolarHBondContact O-N 2.98Å; I723-A727 VanDerWaalsContact O-N 3.14Å; G724-A727 PolarHBondContact O-N 2.96Å; A727-I730 PolarHBondContact O-N 3.31Å; A727-F731 PolarHBondContact O-N 3.31Å |
| 728 | G | 70.2 | Confident | 69.9 | Low | 34 Ų | 34 | 82.3 Ų | 82.3 | 35% | 0.351 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.6 | -43.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | G724 G725 T726 F731 L732 | G724-G728 PolarHBondContact O-N 2.97Å; G725-G728 PolarHBondContact O-N 3.27Å; T726-G728 VanDerWaalsContact C-N 3.35Å; T726-G728 PolarHBondContact O-N 3.15Å; G728-F731 PolarHBondContact O-N 2.81Å; G728-L732 WeakPolarHBondContact O-CB 3.34Å; G728-L732 PolarHBondContact O-N 3.04Å |
| 729 | V | 75.6 | Confident | 70.5 | Confident | 94 Ų | 94 | 85.7 Ų | 85.7 | 57% | 0.57 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -66 | -39 | 178 | 172.9 | 0 | 0 | 0 | 0 | 111.6 | G725 T726 L732 T733 | G725-V729 WeakPolarHBondContact O-CG2 3.03Å; G725-V729 PolarHBondContact O-N 2.84Å; T726-V729 PolarHBondContact O-N 2.7Å; V729-L732 PolarHBondContact O-N 3.27Å; V729-T733 WeakPolarHBondContact O-CB 3.23Å; V729-T733 PolarHBondContact O-N 3.02Å; V729-T733 PolarHBondContact O-OG1 2.65Å |
| 730 | I | 75.3 | Confident | 71.2 | Confident | 96 Ų | 96 | 85.6 Ų | 85.6 | 49% | 0.492 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.9 | -44.6 | 174.6 | -67.4 | 167.8 | 0 | 0 | 0 | 110.1 | T726 A727 L732 T733 F734 | T726-I730 VanDerWaalsContact O-CG1 3.31Å; T726-I730 WeakPolarHBondContact O-CG1 3.16Å; T726-I730 PolarHBondContact O-N 3.41Å; T726-I730 VanDerWaalsContact O-N 3.17Å; A727-I730 PolarHBondContact O-N 3.31Å; I730-L732 PolarHBondContact O-N 3.46Å; I730-T733 WeakPolarHBondContact CA-OG1 3.18Å; I730-T733 PolarHBondContact O-N 3.19Å; I730-T733 PolarHBondContact O-OG1 3.47Å; I730-F734 HydrophobicContact CG2-CD2 3.79Å; I730-F734 HydrophobicContact CG2-CE2 3.82Å; I730-F734 VanDerWaalsContact O-CD2 3.3Å; I730-F734 WeakPolarHBondContact O-CD2 3.34Å; I730-F734 PolarHBondContact O-N 3.43Å |
| 731 | F | 75.9 | Confident | 71.6 | Confident | 158 Ų | 158 | 88 Ų | 88 | 69% | 0.693 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.3 | -39.8 | 179.7 | -145.6 | -86.3 | 0 | 0 | 0 | 112.6 | A727 G728 S735 | A727-F731 PolarHBondContact O-N 3.31Å; G728-F731 PolarHBondContact O-N 2.81Å; F731-S735 WeakPolarHBondContact O-CB 3.17Å; F731-S735 PolarHBondContact O-N 3.35Å; F731-S735 PolarHBondContact O-OG 3.37Å |
| 732 | L | 75.5 | Confident | 71.9 | Confident | 109 Ų | 109 | 89.1 Ų | 89.1 | 57% | 0.571 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -66.3 | -41.9 | 177.1 | -116.6 | 143.7 | 0 | 0 | 0 | 112 | G728 V729 I730 S735 I736 | G728-L732 WeakPolarHBondContact O-CB 3.34Å; G728-L732 PolarHBondContact O-N 3.04Å; V729-L732 PolarHBondContact O-N 3.27Å; I730-L732 PolarHBondContact O-N 3.46Å; L732-S735 PolarHBondContact O-N 3.19Å; L732-I736 HydrophobicContact CD2-CD1 3.99Å; L732-I736 WeakPolarHBondContact O-CB 3.28Å; L732-I736 VanDerWaalsContact O-CG1 3.24Å; L732-I736 WeakPolarHBondContact O-CG1 2.93Å; L732-I736 PolarHBondContact O-N 3.05Å |
| 733 | T | 79.6 | Confident | 71.5 | Confident | 69 Ų | 69 | 94 Ų | 94 | 42% | 0.423 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.4 | -43 | 176.7 | 40.8 | 0 | 0 | 0 | 0 | 112 | V729 I730 S735 I736 I737 | V729-T733 WeakPolarHBondContact O-CB 3.23Å; V729-T733 PolarHBondContact O-N 3.02Å; V729-T733 PolarHBondContact O-OG1 2.65Å; I730-T733 WeakPolarHBondContact CA-OG1 3.18Å; I730-T733 PolarHBondContact O-N 3.19Å; I730-T733 PolarHBondContact O-OG1 3.47Å; T733-S735 VanDerWaalsContact C-N 3.33Å; T733-S735 PolarHBondContact O-N 2.6Å; T733-I736 PolarHBondContact O-N 3.13Å; T733-I737 WeakPolarHBondContact O-CB 3.45Å; T733-I737 VanDerWaalsContact O-CG1 3.23Å; T733-I737 WeakPolarHBondContact O-CG1 3.48Å; T733-I737 PolarHBondContact O-N 3.31Å |
| 734 | F | 80.1 | Confident | 71.1 | Confident | 138 Ų | 138 | 94.3 Ų | 94.3 | 61% | 0.605 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -62.1 | -39.6 | 173 | -87.5 | -72.3 | 0 | 0 | 0 | 112.7 | I730 I737 A738 | I730-F734 HydrophobicContact CG2-CD2 3.79Å; I730-F734 HydrophobicContact CG2-CE2 3.82Å; I730-F734 VanDerWaalsContact O-CD2 3.3Å; I730-F734 WeakPolarHBondContact O-CD2 3.34Å; I730-F734 PolarHBondContact O-N 3.43Å; F734-I737 PolarHBondContact O-N 3.06Å; F734-A738 WeakPolarHBondContact O-CB 3.17Å; F734-A738 PolarHBondContact O-N 3.35Å |
| 735 | S | 76.7 | Confident | 70.8 | Confident | 51 Ų | 51 | 104.2 Ų | 104.2 | 36% | 0.357 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -65.8 | -41.9 | 177.9 | -59.7 | 0 | 0 | 0 | 0 | 111.9 | F731 L732 T733 A738 I739 | F731-S735 WeakPolarHBondContact O-CB 3.17Å; F731-S735 PolarHBondContact O-N 3.35Å; F731-S735 PolarHBondContact O-OG 3.37Å; L732-S735 PolarHBondContact O-N 3.19Å; T733-S735 VanDerWaalsContact C-N 3.33Å; T733-S735 PolarHBondContact O-N 2.6Å; S735-A738 PolarHBondContact O-N 2.58Å; S735-I739 WeakPolarHBondContact O-CD1 3.17Å; S735-I739 VanDerWaalsContact O-CG1 3.24Å; S735-I739 WeakPolarHBondContact O-CG1 3.17Å; S735-I739 PolarHBondContact O-N 3.49Å |
| 736 | I | 78.9 | Confident | 69.9 | Low | 86 Ų | 86 | 115.3 Ų | 115.3 | 44% | 0.441 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -65.1 | -43.3 | 176.2 | -69.8 | 166.2 | 0 | 0 | 0 | 110.8 | L732 T733 A738 I739 L740 | L732-I736 HydrophobicContact CD2-CD1 3.99Å; L732-I736 WeakPolarHBondContact O-CB 3.28Å; L732-I736 VanDerWaalsContact O-CG1 3.24Å; L732-I736 WeakPolarHBondContact O-CG1 2.93Å; L732-I736 PolarHBondContact O-N 3.05Å; T733-I736 PolarHBondContact O-N 3.13Å; I736-A738 VanDerWaalsContact C-N 3.34Å; I736-A738 PolarHBondContact O-N 3.43Å; I736-I739 PolarHBondContact O-N 2.75Å; I736-L740 HydrophobicContact CG2-CD1 3.84Å; I736-L740 HydrophobicContact CG2-CG 4.38Å; I736-L740 WeakPolarHBondContact O-CB 3.47Å; I736-L740 VanDerWaalsContact O-CG 3.29Å; I736-L740 WeakPolarHBondContact O-CG 3.21Å; I736-L740 PolarHBondContact O-N 2.82Å |
| 737 | I | 77.4 | Confident | 70.1 | Confident | 104 Ų | 104 | 117.1 Ų | 117.1 | 53% | 0.533 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -62.8 | -41.8 | 177 | -68.9 | 166.6 | 0 | 0 | 0 | 110.9 | T733 F734 L740 S741 | T733-I737 WeakPolarHBondContact O-CB 3.45Å; T733-I737 VanDerWaalsContact O-CG1 3.23Å; T733-I737 WeakPolarHBondContact O-CG1 3.48Å; T733-I737 PolarHBondContact O-N 3.31Å; F734-I737 PolarHBondContact O-N 3.06Å; I737-L740 PolarHBondContact O-N 3.1Å; I737-S741 WeakPolarHBondContact O-CB 2.93Å; I737-S741 PolarHBondContact O-N 3.48Å |
| 738 | A | 74.9 | Confident | 70.2 | Confident | 46 Ų | 46 | 120.3 Ų | 120.3 | 38% | 0.38 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -62 | -43.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | F734 S735 I736 S741 Q742 | F734-A738 WeakPolarHBondContact O-CB 3.17Å; F734-A738 PolarHBondContact O-N 3.35Å; S735-A738 PolarHBondContact O-N 2.58Å; I736-A738 VanDerWaalsContact C-N 3.34Å; I736-A738 PolarHBondContact O-N 3.43Å; A738-S741 PolarHBondContact O-N 3Å; A738-S741 PolarHBondContact O-OG 3.13Å; A738-Q742 PolarHBondContact O-N 3.46Å |
| 739 | I | 74.9 | Confident | 70.2 | Confident | 114 Ų | 114 | 125.1 Ų | 125.1 | 59% | 0.585 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -64.6 | -40.8 | 177 | -68.2 | 165.2 | 0 | 0 | 0 | 111.3 | S735 I736 S741 Q742 | S735-I739 WeakPolarHBondContact O-CD1 3.17Å; S735-I739 VanDerWaalsContact O-CG1 3.24Å; S735-I739 WeakPolarHBondContact O-CG1 3.17Å; S735-I739 PolarHBondContact O-N 3.49Å; I736-I739 PolarHBondContact O-N 2.75Å; I739-S741 VanDerWaalsContact C-N 3.31Å; I739-S741 PolarHBondContact O-N 2.96Å; I739-Q742 PolarHBondContact O-N 2.9Å |
| 740 | L | 70.1 | Confident | 69.9 | Low | 106 Ų | 106 | 126.9 Ų | 126.9 | 56% | 0.555 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -68.1 | -31 | 177.1 | -70.7 | 171.6 | 0 | 0 | 0 | 112.4 | I736 I737 Q742 | I736-L740 HydrophobicContact CG2-CD1 3.84Å; I736-L740 HydrophobicContact CG2-CG 4.38Å; I736-L740 WeakPolarHBondContact O-CB 3.47Å; I736-L740 VanDerWaalsContact O-CG 3.29Å; I736-L740 WeakPolarHBondContact O-CG 3.21Å; I736-L740 PolarHBondContact O-N 2.82Å; I737-L740 PolarHBondContact O-N 3.1Å; L740-Q742 VanDerWaalsContact C-N 3.29Å; L740-Q742 PolarHBondContact O-N 3.42Å |
| 741 | S | 66.8 | Low | 69.5 | Low | 93 Ų | 93 | 128.8 Ų | 128.8 | 65% | 0.65 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -73.8 | -16.3 | 177 | 76.4 | 0 | 0 | 0 | 0 | 114.4 | I737 A738 I739 | I737-S741 WeakPolarHBondContact O-CB 2.93Å; I737-S741 PolarHBondContact O-N 3.48Å; A738-S741 PolarHBondContact O-N 3Å; A738-S741 PolarHBondContact O-OG 3.13Å; I739-S741 VanDerWaalsContact C-N 3.31Å; I739-S741 PolarHBondContact O-N 2.96Å |
| 742 | Q | 66.8 | Low | 69.1 | Low | 158 Ų | 158 | 126.9 Ų | 126.9 | 74% | 0.738 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.5 | 0.6 | -179.7 | -71.8 | -173.5 | -1.2 | 0 | 0 | 114.3 | A738 I739 L740 P744 | A738-Q742 PolarHBondContact O-N 3.46Å; I739-Q742 PolarHBondContact O-N 2.9Å; L740-Q742 VanDerWaalsContact C-N 3.29Å; L740-Q742 PolarHBondContact O-N 3.42Å; Q742-P744 VanDerWaalsContact O-CD 3.22Å; Q742-P744 WeakPolarHBondContact O-CD 3.29Å |
| 743 | R | 56.7 | Low | 68.7 | Low | 193 Ų | 193 | 128.1 Ų | 128.1 | 73% | 0.728 | 63% | 0.632 | S | S | * | * | trans | -73.4 | 114.8 | 173.8 | -85.2 | -174.6 | 174.4 | 178.3 | -0.6 | 110.2 | R745 | R743-R745 PolarHBondContact O-N 2.89Š| ||
| 744 | P | 54.6 | Low | 67.8 | Low | 111 Ų | 111 | 132.7 Ų | 132.7 | 72% | 0.721 | 65% | 0.649 | S | S | * | * | trans | -68.9 | 125.9 | 175.1 | 28.6 | -31.1 | 0 | 0 | 0 | 108.7 | Q742 K746 | Q742-P744 VanDerWaalsContact O-CD 3.22Å; Q742-P744 WeakPolarHBondContact O-CD 3.29Å; P744-K746 PolarHBondContact O-N 3.24Å; P744-K746 VanDerWaalsContact O-N 3.1Å | ||
| 745 | R | 56.8 | Low | 66.8 | Low | 253 Ų | 253 | 132.3 Ų | 132.3 | 96% | 0.955 | 65% | 0.652 | S | S | * | * | trans | -58.7 | 113.5 | 169.9 | -77 | -178.8 | 176.2 | 172 | -1.5 | 108.6 | R743 | R743-R745 PolarHBondContact O-N 2.89Š| ||
| 746 | K | 46.9 | Very low | 65.9 | Low | 272 Ų | 272 | 139.6 Ų | 139.6 | 100% | 1.183 | 68% | 0.679 | S | S | * | * | trans | -132.2 | 0 | 162.9 | -86.5 | -167.8 | 175.4 | -177 | 0 | 108.8 | P744 | P744-K746 PolarHBondContact O-N 3.24Å; P744-K746 VanDerWaalsContact O-N 3.1Å |
Retrieved 746 of 746 residues in 1607.8 ms
(Link to these results)