| 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 | 37.4 | Very low | 52.3 | Low | 245 Ų | 245 | 126.7 Ų | 126.7 | 100% | 1.207 | 73% | 0.734 | S | S | * | * | 0 | 95.7 | 0 | -80.1 | 160.7 | 161.4 | 0 | 0 | 107.3 | |||||
| 2 | V | 37 | Very low | 53.3 | Low | 139 Ų | 139 | 125.9 Ų | 125.9 | 84% | 0.842 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -99.7 | 125.5 | 174 | 175.6 | 0 | 0 | 0 | 0 | 105.5 | K4 | V2-K4 PolarHBondContact O-N 3.46Š|
| 3 | P | 45.1 | Very low | 54.2 | Low | 122 Ų | 122 | 124.9 Ų | 124.9 | 79% | 0.792 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 128.2 | 178.3 | 28.5 | -30.2 | 0 | 0 | 0 | 108.8 | ||
| 4 | K | 47.7 | Very low | 54.8 | Low | 189 Ų | 189 | 126 Ų | 126 | 82% | 0.822 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 121.1 | 177.8 | -157.4 | 168.5 | 176.1 | 74.8 | 0 | 106.7 | V2 D6 | V2-K4 PolarHBondContact O-N 3.46Å; K4-D6 PolarHBondContact O-N 2.94Å |
| 5 | A | 44.5 | Very low | 55.3 | Low | 90 Ų | 90 | 123.7 Ų | 123.7 | 74% | 0.744 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 117.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | S7 | A5-S7 PolarHBondContact O-N 3.36Š|
| 6 | D | 57.2 | Low | 55.6 | Low | 125 Ų | 125 | 122.6 Ų | 122.6 | 67% | 0.668 | 68% | 0.683 | S | S | * | * | trans | -74 | 115.7 | -179.5 | -69.4 | -40.5 | 0 | 0 | 0 | 110.5 | K4 G8 A9 | K4-D6 PolarHBondContact O-N 2.94Å; D6-G8 PolarHBondContact O-N 3.32Å; D6-A9 PolarHBondContact O-N 2.83Å; D6-A9 VanDerWaalsContact O-N 3.07Å | ||
| 7 | S | 57.1 | Low | 56 | Low | 103 Ų | 103 | 120.2 Ų | 120.2 | 72% | 0.72 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -54.7 | -16.7 | 176.1 | -71.7 | 0 | 0 | 0 | 0 | 114.2 | A5 L11 | A5-S7 PolarHBondContact O-N 3.36Å; S7-L11 PolarHBondContact O-N 2.87Å |
| 8 | G | 60.2 | Low | 56.1 | Low | 44 Ų | 44 | 118.9 Ų | 118.9 | 45% | 0.454 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -69.7 | -30.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | D6 L11 L12 | D6-G8 PolarHBondContact O-N 3.32Å; G8-L11 PolarHBondContact O-N 2.87Å; G8-L12 WeakPolarHBondContact O-CB 3.09Å; G8-L12 PolarHBondContact O-N 2.63Å |
| 9 | A | 63.6 | Low | 55.9 | Low | 65 Ų | 65 | 117.8 Ų | 117.8 | 54% | 0.537 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -71.1 | -37.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | D6 L13 | D6-A9 PolarHBondContact O-N 2.83Å; D6-A9 VanDerWaalsContact O-N 3.07Å; A9-L13 WeakPolarHBondContact O-CB 3.45Å; A9-L13 PolarHBondContact O-N 2.84Å |
| 10 | F | 61.6 | Low | 55.7 | Low | 162 Ų | 162 | 117.6 Ų | 117.6 | 71% | 0.711 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -69.9 | -38 | 175.6 | -95.5 | -87.9 | 0 | 0 | 0 | 112.3 | L13 F14 | F10-L13 PolarHBondContact O-N 2.92Å; F10-F14 VanDerWaalsContact O-CB 3.3Å; F10-F14 WeakPolarHBondContact O-CB 3.35Å; F10-F14 PolarHBondContact O-N 3.38Å |
| 11 | L | 63.4 | Low | 55.4 | Low | 110 Ų | 110 | 116.3 Ų | 116.3 | 58% | 0.576 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -71.3 | -36.9 | 179.3 | -129.9 | 153.3 | 0 | 0 | 0 | 111.7 | S7 G8 F14 L15 | S7-L11 PolarHBondContact O-N 2.87Å; G8-L11 PolarHBondContact O-N 2.87Å; L11-F14 PolarHBondContact O-N 3.06Å; L11-L15 HydrophobicContact CD2-CD1 3.83Å; L11-L15 HydrophobicContact CD2-CG 4.23Å; L11-L15 WeakPolarHBondContact O-CB 2.92Å; L11-L15 VanDerWaalsContact O-CG 3.28Å; L11-L15 WeakPolarHBondContact O-CG 3.33Å; L11-L15 PolarHBondContact O-N 3.07Å |
| 12 | L | 65.1 | Low | 55.7 | Low | 117 Ų | 117 | 112.1 Ų | 112.1 | 61% | 0.613 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -65.9 | -41.5 | 170.5 | -92.1 | 159.6 | 0 | 0 | 0 | 112.1 | G8 F14 L15 L16 | G8-L12 WeakPolarHBondContact O-CB 3.09Å; G8-L12 PolarHBondContact O-N 2.63Å; L12-F14 VanDerWaalsContact C-N 3.34Å; L12-L15 PolarHBondContact O-N 3.4Å; L12-L16 VanDerWaalsContact O-CB 3.32Å; L12-L16 WeakPolarHBondContact O-CB 2.91Å; L12-L16 PolarHBondContact O-N 3.26Å |
| 13 | L | 64.8 | Low | 55.9 | Low | 113 Ų | 113 | 110.9 Ų | 110.9 | 59% | 0.592 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -65 | -40 | 176.2 | -151.9 | 94.2 | 0 | 0 | 0 | 111.3 | A9 F10 L16 V17 | A9-L13 WeakPolarHBondContact O-CB 3.45Å; A9-L13 PolarHBondContact O-N 2.84Å; F10-L13 PolarHBondContact O-N 2.92Å; L13-L16 PolarHBondContact O-N 2.92Å; L13-V17 WeakPolarHBondContact O-CG2 3.41Å; L13-V17 PolarHBondContact O-N 2.87Å |
| 14 | F | 62.7 | Low | 55.5 | Low | 140 Ų | 140 | 112.9 Ų | 112.9 | 61% | 0.614 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -70.7 | -38 | 179 | -147.9 | -92.4 | 0 | 0 | 0 | 112.1 | F10 L11 L12 V17 L18 | F10-F14 VanDerWaalsContact O-CB 3.3Å; F10-F14 WeakPolarHBondContact O-CB 3.35Å; F10-F14 PolarHBondContact O-N 3.38Å; L11-F14 PolarHBondContact O-N 3.06Å; L12-F14 VanDerWaalsContact C-N 3.34Å; F14-V17 PolarHBondContact O-N 2.95Å; F14-L18 HydrophobicContact CD1-CD1 3.69Å; F14-L18 HydrophobicContact CD1-CG 4.27Å; F14-L18 HydrophobicContact CE1-CD1 3.97Å; F14-L18 HydrophobicContact CE1-CG 4.44Å; F14-L18 WeakPolarHBondContact O-CB 3.36Å; F14-L18 VanDerWaalsContact O-CG 3.31Å; F14-L18 WeakPolarHBondContact O-CG 3.09Å; F14-L18 PolarHBondContact O-N 3.3Å |
| 15 | L | 62.1 | Low | 55.5 | Low | 91 Ų | 91 | 115 Ų | 115 | 48% | 0.476 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -69.2 | -36.9 | 172.2 | -74.1 | 169.3 | 0 | 0 | 0 | 111.9 | L11 L12 V17 L18 T19 | L11-L15 HydrophobicContact CD2-CD1 3.83Å; L11-L15 HydrophobicContact CD2-CG 4.23Å; L11-L15 WeakPolarHBondContact O-CB 2.92Å; L11-L15 VanDerWaalsContact O-CG 3.28Å; L11-L15 WeakPolarHBondContact O-CG 3.33Å; L11-L15 PolarHBondContact O-N 3.07Å; L12-L15 PolarHBondContact O-N 3.4Å; L15-V17 VanDerWaalsContact C-N 3.34Å; L15-L18 PolarHBondContact O-N 3.21Å; L15-T19 WeakPolarHBondContact O-CG2 3.47Å; L15-T19 PolarHBondContact O-N 3.43Å; L15-T19 PolarHBondContact O-OG1 3.03Å |
| 16 | L | 60.8 | Low | 55.3 | Low | 106 Ų | 106 | 115.4 Ų | 115.4 | 56% | 0.555 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -61.4 | -43.8 | 172.2 | -119.1 | 149.4 | 0 | 0 | 0 | 111.1 | L12 L13 T19 V20 | L12-L16 VanDerWaalsContact O-CB 3.32Å; L12-L16 WeakPolarHBondContact O-CB 2.91Å; L12-L16 PolarHBondContact O-N 3.26Å; L13-L16 PolarHBondContact O-N 2.92Å; L16-T19 WeakPolarHBondContact CA-OG1 3.3Å; L16-T19 PolarHBondContact O-N 2.98Å; L16-T19 PolarHBondContact O-OG1 3.22Å; L16-V20 WeakPolarHBondContact O-CB 3.49Å; L16-V20 WeakPolarHBondContact O-CG2 3.16Å; L16-V20 PolarHBondContact O-N 2.01Å; L16-V20 VanDerWaalsContact O-N 3.11Å |
| 17 | V | 62.4 | Low | 55.1 | Low | 83 Ų | 83 | 118.1 Ų | 118.1 | 50% | 0.503 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -64.6 | -41 | 175.8 | 171.9 | 0 | 0 | 0 | 0 | 111.2 | L13 F14 L15 V20 T21 | L13-V17 WeakPolarHBondContact O-CG2 3.41Å; L13-V17 PolarHBondContact O-N 2.87Å; F14-V17 PolarHBondContact O-N 2.95Å; L15-V17 VanDerWaalsContact C-N 3.34Å; V17-V20 PolarHBondContact O-N 3.29Å; V17-T21 WeakPolarHBondContact O-CG2 3.33Å; V17-T21 PolarHBondContact O-N 3.19Å; V17-T21 PolarHBondContact O-OG1 2.98Å |
| 18 | L | 56.3 | Low | 54.7 | Low | 96 Ų | 96 | 117.1 Ų | 117.1 | 50% | 0.503 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -69.7 | -33.2 | 177.5 | -75.3 | 167 | 0 | 0 | 0 | 113.6 | F14 L15 V20 T21 | F14-L18 HydrophobicContact CD1-CD1 3.69Å; F14-L18 HydrophobicContact CD1-CG 4.27Å; F14-L18 HydrophobicContact CE1-CD1 3.97Å; F14-L18 HydrophobicContact CE1-CG 4.44Å; F14-L18 WeakPolarHBondContact O-CB 3.36Å; F14-L18 VanDerWaalsContact O-CG 3.31Å; F14-L18 WeakPolarHBondContact O-CG 3.09Å; F14-L18 PolarHBondContact O-N 3.3Å; L15-L18 PolarHBondContact O-N 3.21Å; L18-V20 VanDerWaalsContact C-N 3.31Å; L18-T21 WeakPolarHBondContact CA-OG1 3.46Å; L18-T21 PolarHBondContact O-N 3.36Å; L18-T21 PolarHBondContact O-OG1 3.34Å; L18-T21 VanDerWaalsContact O-OG1 3.08Å |
| 19 | T | 52.8 | Low | 54.6 | Low | 99 Ų | 99 | 126.3 Ų | 126.3 | 61% | 0.607 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -77.5 | -15.8 | 174.3 | 55.8 | 0 | 0 | 0 | 0 | 113.7 | L15 L16 | L15-T19 WeakPolarHBondContact O-CG2 3.47Å; L15-T19 PolarHBondContact O-N 3.43Å; L15-T19 PolarHBondContact O-OG1 3.03Å; L16-T19 WeakPolarHBondContact CA-OG1 3.3Å; L16-T19 PolarHBondContact O-N 2.98Å; L16-T19 PolarHBondContact O-OG1 3.22Å |
| 20 | V | 52.1 | Low | 55 | Low | 112 Ų | 112 | 124.5 Ų | 124.5 | 68% | 0.679 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -91.4 | -11.2 | 174.2 | 174.4 | 0 | 0 | 0 | 0 | 111.4 | L16 V17 L18 | L16-V20 WeakPolarHBondContact O-CB 3.49Å; L16-V20 WeakPolarHBondContact O-CG2 3.16Å; L16-V20 PolarHBondContact O-N 2.01Å; L16-V20 VanDerWaalsContact O-N 3.11Å; V17-V20 PolarHBondContact O-N 3.29Å; L18-V20 VanDerWaalsContact C-N 3.31Å |
| 21 | T | 49.8 | Very low | 55.6 | Low | 92 Ų | 92 | 122 Ų | 122 | 56% | 0.564 | 62% | 0.622 | S | S | * | * | trans | -102.5 | 37.5 | 174.1 | 57.6 | 0 | 0 | 0 | 0 | 113.1 | V17 L18 | V17-T21 WeakPolarHBondContact O-CG2 3.33Å; V17-T21 PolarHBondContact O-N 3.19Å; V17-T21 PolarHBondContact O-OG1 2.98Å; L18-T21 WeakPolarHBondContact CA-OG1 3.46Å; L18-T21 PolarHBondContact O-N 3.36Å; L18-T21 PolarHBondContact O-OG1 3.34Å; L18-T21 VanDerWaalsContact O-OG1 3.08Å | ||
| 22 | E | 43.3 | Very low | 55.8 | Low | 156 Ų | 156 | 123.3 Ų | 123.3 | 73% | 0.729 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -86.8 | 120.3 | 157.5 | -158 | 155.3 | -173.2 | 0 | 0 | 106.5 | L24 | E22-L24 VanDerWaalsContact C-N 3.34Å; E22-L24 PolarHBondContact O-N 3.12Å |
| 23 | P | 41.6 | Very low | 56.1 | Low | 113 Ų | 113 | 119.6 Ų | 119.6 | 73% | 0.734 | 63% | 0.628 | S | S | * | * | trans | -66.3 | 104.1 | 176.3 | 27.6 | -29.8 | 0 | 0 | 0 | 106.1 | R25 | P23-R25 VanDerWaalsContact C-N 3.26Å; P23-R25 PolarHBondContact O-N 3.03Å | ||
| 24 | L | 36.2 | Very low | 56.8 | Low | 165 Ų | 165 | 118 Ų | 118 | 86% | 0.864 | 62% | 0.617 | S | S | * | * | trans | -47.3 | 103.2 | 155.4 | -83.1 | 155.4 | 0 | 0 | 0 | 105.3 | E22 P26 | E22-L24 VanDerWaalsContact C-N 3.34Å; E22-L24 PolarHBondContact O-N 3.12Å; L24-P26 WeakPolarHBondContact O-CD 3.5Å | ||
| 25 | R | 48.2 | Very low | 57.6 | Low | 233 Ų | 233 | 113.7 Ų | 113.7 | 88% | 0.879 | 60% | 0.598 | S | S | * | * | trans | -48.6 | 112.7 | 165.4 | -78.1 | 179.7 | 177.4 | 160.5 | -0.7 | 104.6 | P23 E27 | P23-R25 VanDerWaalsContact C-N 3.26Å; P23-R25 PolarHBondContact O-N 3.03Å; R25-E27 PolarHBondContact O-N 3.33Å | ||
| 26 | P | 40 | Very low | 58.5 | Low | 99 Ų | 99 | 111.3 Ų | 111.3 | 64% | 0.643 | 59% | 0.592 | S | S | * | * | trans | -61.2 | 120.5 | 169.4 | -5.2 | 19.5 | 0 | 0 | 0 | 103.6 | L24 L28 | L24-P26 WeakPolarHBondContact O-CD 3.5Å; P26-L28 PolarHBondContact O-N 3.36Å | ||
| 27 | E | 52.5 | Low | 59.5 | Low | 182 Ų | 182 | 106.8 Ų | 106.8 | 85% | 0.85 | 57% | 0.569 | S | S | * | * | trans | -58.6 | 98.6 | 160.6 | -149.1 | 167.5 | -166 | 0 | 0 | 104.3 | R25 R29 | R25-E27 PolarHBondContact O-N 3.33Å; E27-R29 PolarHBondContact O-N 2.99Å | ||
| 28 | L | 50.5 | Low | 60.1 | Low | 82 Ų | 82 | 113 Ų | 113 | 43% | 0.429 | 58% | 0.583 | S | S | . | * | trans | -59.5 | 100.3 | -173.1 | -95.8 | 99.1 | 0 | 0 | 0 | 108 | P26 C30 Q43 | P26-L28 PolarHBondContact O-N 3.36Å; L28-C30 PolarHBondContact O-N 2.93Å; L28-Q43 HydrophobicContact CD2-CB 3.72Å; L28-Q43 HydrophobicContact CD2-CG 4.16Å | ||
| 29 | R | 56.1 | Low | 60.8 | Low | 236 Ų | 236 | 112.3 Ų | 112.3 | 89% | 0.891 | 59% | 0.587 | S | S | * | * | trans | -90.8 | 90.9 | 167.5 | -84.5 | -172.1 | 170.9 | 171.1 | -0.7 | 108.1 | E27 | E27-R29 PolarHBondContact O-N 2.99Š| ||
| 30 | C | 72.3 | Confident | 61.4 | Low | 28 Ų | 28 | 108.9 Ų | 108.9 | 19% | 0.189 | 57% | 0.571 | C | S | . | * | trans | -64.6 | 153.7 | 159.2 | -59.5 | 0 | 0 | 0 | 0 | 109.3 | L28 Q34 A36 C44 | L28-C30 PolarHBondContact O-N 2.93Å; C30-Q34 HydrophobicContact CB-CB 3.82Å; C30-A36 VanDerWaalsContact SG-CB 3.54Å; C30-C44 HydrophobicContact CB-CB 3.96Å; C30-C44 WeakPolarHBondContact CB-SG 3.16Å; C30-C44 WeakPolarHBondContact SG-CB 3.13Å; C30-C44 CovalentContact SG-SG 2.05Å; C30-C44 PolarHBondContact SG-SG 3.41Å | ||
| 31 | N | 75.8 | Confident | 61.9 | Low | 108 Ų | 108 | 109.1 Ų | 109.1 | 58% | 0.578 | 57% | 0.573 | S | S | * | * | trans | -65.8 | 152.8 | 179 | -71.1 | -44.2 | 0 | 0 | 0 | 110.8 | G33 Q34 | N31-G33 PolarHBondContact O-N 2.94Å; N31-Q34 PolarHBondContact O-N 2.98Å | ||
| 32 | P | 65.8 | Low | 63 | Low | 138 Ų | 138 | 108.2 Ų | 108.2 | 90% | 0.896 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.8 | 111.5 | 172.2 | 24.3 | -32 | 0 | 0 | 0 | 109 | ||
| 33 | G | 71.8 | Confident | 64.4 | Low | 40 Ų | 40 | 106.1 Ų | 106.1 | 41% | 0.412 | 55% | 0.554 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 123.2 | -4.1 | -169 | 0 | 0 | 0 | 0 | 0 | 115.3 | N31 L47 | N31-G33 PolarHBondContact O-N 2.94Å; G33-L47 WeakPolarHBondContact O-CB 3.17Å; G33-L47 PolarHBondContact O-N 2.9Å |
| 34 | Q | 80.1 | Confident | 66.3 | Low | 79 Ų | 79 | 103 Ų | 103 | 37% | 0.369 | 53% | 0.534 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 143.2 | -176.7 | -67.9 | 173.9 | -11.7 | 0 | 0 | 112 | C30 N31 C44 I45 | C30-Q34 HydrophobicContact CB-CB 3.82Å; N31-Q34 PolarHBondContact O-N 2.98Å; Q34-C44 HydrophobicContact CB-CB 4.35Å; Q34-I45 CarbonylContact C-O 3.55Å; Q34-I45 WeakPolarHBondContact CA-O 3.37Å; Q34-I45 WeakPolarHBondContact CB-O 3.4Å |
| 35 | F | 79.8 | Confident | 68.5 | Low | 49 Ų | 49 | 95.2 Ų | 95.2 | 22% | 0.215 | 49% | 0.494 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 138.2 | 172.9 | 175.8 | -96.9 | 0 | 0 | 0 | 110.1 | C44 I45 Q50 S61 D62 | F35-C44 CarbonylContact O-C 3.57Å; F35-C44 VanDerWaalsContact O-CA 3.27Å; F35-C44 WeakPolarHBondContact O-CA 3.49Å; F35-I45 HydrophobicContact CB-CD1 4.36Å; F35-I45 HydrophobicContact CB-CG1 3.83Å; F35-I45 HydrophobicContact CD1-CD1 3.86Å; F35-I45 HydrophobicContact CD1-CG1 3.9Å; F35-I45 HydrophobicContact CG-CG1 4.36Å; F35-I45 PolarHBondContact N-O 3.33Å; F35-I45 PolarHBondContact O-N 3.26Å; F35-Q50 HydrophobicContact CD2-CG 4.39Å; F35-Q50 VanDerWaalsContact CD2-NE2 3.34Å; F35-S61 WeakPolarHBondContact CZ-O 3.28Å; F35-D62 HydrophobicContact CD1-CB 4.4Å; F35-D62 HydrophobicContact CE1-CB 4.24Å |
| 36 | A | 80.3 | Confident | 70.2 | Confident | 41 Ų | 41 | 86.4 Ų | 86.4 | 34% | 0.339 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 119.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | C30 Q43 | C30-A36 VanDerWaalsContact SG-CB 3.54Å; A36-Q43 WeakPolarHBondContact CA-O 3.36Å |
| 37 | C | 83.1 | Confident | 71.9 | Confident | 11 Ų | 11 | 85.8 Ų | 85.8 | 7% | 0.074 | 46% | 0.457 | C | S | . | . | P | Polyproline II helix | trans | -65.5 | 147.1 | 171.2 | -56.7 | 0 | 0 | 0 | 0 | 109.4 | I42 Q43 C57 S61 | C37-I42 WeakPolarHBondContact CB-O 3.5Å; C37-Q43 PolarHBondContact N-O 3.29Å; C37-C57 HydrophobicContact CB-CB 3.78Å; C37-C57 WeakPolarHBondContact CB-SG 3.26Å; C37-C57 WeakPolarHBondContact SG-CB 3.42Å; C37-C57 CovalentContact SG-SG 2.04Å; C37-C57 PolarHBondContact SG-SG 3.28Å; C37-S61 WeakPolarHBondContact CA-OG 3.3Å |
| 38 | R | 74.5 | Confident | 73.3 | Confident | 214 Ų | 214 | 82 Ų | 82 | 81% | 0.808 | 45% | 0.448 | S | S | * | . | S | Bend | trans | -77.7 | -26.5 | -175.7 | 175 | -165.7 | -50.9 | -124.1 | 1.8 | 112 | D59 S61 | R38-D59 VanDerWaalsContact C-OD2 3.29Å; R38-D59 VanDerWaalsContact CA-OD2 3.28Å; R38-D59 WeakPolarHBondContact CA-OD2 3.39Å; R38-D59 WeakPolarHBondContact CB-OD2 3.18Å; R38-D59 PolarHBondContact N-OD2 2.92Å; R38-D59 VanDerWaalsContact N-OD2 3.13Å; R38-S61 PolarHBondContact N-OG 2.93Å |
| 39 | S | 70.3 | Confident | 74.7 | Confident | 82 Ų | 82 | 84 Ų | 84 | 57% | 0.573 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -161.2 | 147.2 | 173.3 | -178.3 | 0 | 0 | 0 | 0 | 110.5 | D59 | S39-D59 PolarHBondContact N-OD2 3.46Å; S39-D59 WeakPolarHBondContact O-CB 3.36Å |
| 40 | G | 65.1 | Low | 75.9 | Confident | 27 Ų | 27 | 76 Ų | 76 | 28% | 0.278 | 42% | 0.423 | S | S | . | . | S | Bend | trans | 146.8 | 173.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | I42 E58 | G40-I42 VanDerWaalsContact C-N 3.26Å; G40-E58 WeakPolarHBondContact CA-OE2 3.23Å |
| 41 | T | 64.1 | Low | 76.4 | Confident | 116 Ų | 116 | 77 Ų | 77 | 71% | 0.712 | 43% | 0.43 | S | S | * | . | S | Bend | trans | -66.8 | -32.1 | 168.7 | 57.2 | 0 | 0 | 0 | 0 | 111.2 | E58 | T41-E58 PolarHBondContact N-OE2 3.27Å; T41-E58 VanDerWaalsContact OG1-CD 3.26Å; T41-E58 PolarHBondContact OG1-OE1 3.13Å; T41-E58 PolarHBondContact OG1-OE2 3.08Å |
| 42 | I | 71 | Confident | 76.6 | Confident | 73 Ų | 73 | 75 Ų | 75 | 37% | 0.374 | 42% | 0.419 | S | S | . | . | trans | -91.5 | 119.2 | 170.9 | -58.3 | 171.2 | 0 | 0 | 0 | 108.4 | C37 G40 I45 | C37-I42 WeakPolarHBondContact CB-O 3.5Å; G40-I42 VanDerWaalsContact C-N 3.26Å; I42-I45 HydrophobicContact CG2-CG2 3.9Å | ||
| 43 | Q | 72.7 | Confident | 77 | Confident | 112 Ų | 112 | 71.1 Ų | 71.1 | 52% | 0.523 | 41% | 0.405 | S | S | . | . | trans | -105.5 | -25.2 | -174.9 | -73.3 | -174.7 | 3.5 | 0 | 0 | 114 | L28 A36 C37 | L28-Q43 HydrophobicContact CD2-CB 3.72Å; L28-Q43 HydrophobicContact CD2-CG 4.16Å; A36-Q43 WeakPolarHBondContact CA-O 3.36Å; C37-Q43 PolarHBondContact N-O 3.29Å | ||
| 44 | C | 82.1 | Confident | 77.1 | Confident | 47 Ų | 47 | 78.5 Ų | 78.5 | 32% | 0.318 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 131 | 178.7 | -59.2 | 0 | 0 | 0 | 0 | 110.1 | C30 Q34 F35 | C30-C44 HydrophobicContact CB-CB 3.96Å; C30-C44 WeakPolarHBondContact CB-SG 3.16Å; C30-C44 WeakPolarHBondContact SG-CB 3.13Å; C30-C44 CovalentContact SG-SG 2.05Å; C30-C44 PolarHBondContact SG-SG 3.41Å; Q34-C44 HydrophobicContact CB-CB 4.35Å; F35-C44 CarbonylContact O-C 3.57Å; F35-C44 VanDerWaalsContact O-CA 3.27Å; F35-C44 WeakPolarHBondContact O-CA 3.49Å |
| 45 | I | 82.4 | Confident | 77.1 | Confident | 3 Ų | 3 | 77.4 Ų | 77.4 | 2% | 0.015 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 157.7 | 173.2 | 63.7 | 170 | 0 | 0 | 0 | 110.4 | Q34 F35 I42 W49 T56 D62 | Q34-I45 CarbonylContact C-O 3.55Å; Q34-I45 WeakPolarHBondContact CA-O 3.37Å; Q34-I45 WeakPolarHBondContact CB-O 3.4Å; F35-I45 HydrophobicContact CB-CD1 4.36Å; F35-I45 HydrophobicContact CB-CG1 3.83Å; F35-I45 HydrophobicContact CD1-CD1 3.86Å; F35-I45 HydrophobicContact CD1-CG1 3.9Å; F35-I45 HydrophobicContact CG-CG1 4.36Å; F35-I45 PolarHBondContact N-O 3.33Å; F35-I45 PolarHBondContact O-N 3.26Å; I42-I45 HydrophobicContact CG2-CG2 3.9Å; I45-W49 HydrophobicContact CD1-CB 4.36Å; I45-T56 HydrophobicContact CG2-CG2 4.09Å; I45-D62 HydrophobicContact CD1-CB 3.43Å; I45-D62 VanDerWaalsContact CD1-CB 3.43Å |
| 46 | P | 83.3 | Confident | 77.2 | Confident | 48 Ų | 48 | 77.1 Ų | 77.1 | 31% | 0.312 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.2 | 138.6 | 169.3 | -21.7 | 34 | 0 | 0 | 0 | 112.3 | P48 W49 | P46-P48 VanDerWaalsContact C-N 3.3Å; P46-W49 HydrophobicContact CB-CD2 4.22Å; P46-W49 HydrophobicContact CB-CG 4.31Å; P46-W49 VanDerWaalsContact CD-CE3 3.4Å; P46-W49 HydrophobicContact CG-CD2 3.87Å; P46-W49 HydrophobicContact CG-CE3 3.89Å; P46-W49 HydrophobicContact CG-CG 4.46Å; P46-W49 HydrophobicContact CG-CH2 4.3Å; P46-W49 HydrophobicContact CG-CZ2 4.29Å; P46-W49 HydrophobicContact CG-CZ3 4.11Å; P46-W49 WeakPolarHBondContact O-CB 3.45Å; P46-W49 PolarHBondContact O-N 3.34Å |
| 47 | L | 77.1 | Confident | 77.2 | Confident | 85 Ų | 85 | 75.3 Ų | 75.3 | 45% | 0.445 | 41% | 0.412 | S | S | . | . | G | 310 helix | trans | -49.4 | -37.2 | 175.9 | -99 | 156.2 | 0 | 0 | 0 | 115.3 | G33 W49 Q50 | G33-L47 WeakPolarHBondContact O-CB 3.17Å; G33-L47 PolarHBondContact O-N 2.9Å; L47-W49 PolarHBondContact O-N 3.44Å; L47-Q50 WeakPolarHBondContact O-CB 3.02Å; L47-Q50 PolarHBondContact O-N 2.97Å |
| 48 | P | 80.8 | Confident | 77 | Confident | 102 Ų | 102 | 80.7 Ų | 80.7 | 66% | 0.662 | 44% | 0.436 | S | S | * | . | G | 310 helix | trans | -67.2 | -12.7 | 178.2 | -23.1 | 34.7 | 0 | 0 | 0 | 115.4 | P46 | P46-P48 VanDerWaalsContact C-N 3.3Š|
| 49 | W | 81.3 | Confident | 77.1 | Confident | 124 Ų | 124 | 72.9 Ų | 72.9 | 47% | 0.47 | 41% | 0.41 | S | S | . | . | G | 310 helix | trans | -96.8 | 2.2 | 179 | -58.4 | -8.2 | 0 | 0 | 0 | 111.9 | I45 P46 L47 T56 | I45-W49 HydrophobicContact CD1-CB 4.36Å; P46-W49 HydrophobicContact CB-CD2 4.22Å; P46-W49 HydrophobicContact CB-CG 4.31Å; P46-W49 VanDerWaalsContact CD-CE3 3.4Å; P46-W49 HydrophobicContact CG-CD2 3.87Å; P46-W49 HydrophobicContact CG-CE3 3.89Å; P46-W49 HydrophobicContact CG-CG 4.46Å; P46-W49 HydrophobicContact CG-CH2 4.3Å; P46-W49 HydrophobicContact CG-CZ2 4.29Å; P46-W49 HydrophobicContact CG-CZ3 4.11Å; P46-W49 WeakPolarHBondContact O-CB 3.45Å; P46-W49 PolarHBondContact O-N 3.34Å; L47-W49 PolarHBondContact O-N 3.44Å; W49-T56 HydrophobicContact CE3-CG2 3.91Å; W49-T56 HydrophobicContact CZ3-CG2 4.25Å |
| 50 | Q | 80.8 | Confident | 77.4 | Confident | 69 Ų | 69 | 75.1 Ų | 75.1 | 32% | 0.322 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | 122.4 | 166.4 | -175.1 | -177.8 | 27.1 | 0 | 0 | 107.9 | F35 L47 | F35-Q50 HydrophobicContact CD2-CG 4.39Å; F35-Q50 VanDerWaalsContact CD2-NE2 3.34Å; L47-Q50 WeakPolarHBondContact O-CB 3.02Å; L47-Q50 PolarHBondContact O-N 2.97Å |
| 51 | C | 82.1 | Confident | 78.2 | Confident | 49 Ų | 49 | 74.4 Ų | 74.4 | 33% | 0.331 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.1 | 35.7 | 178.9 | -50.3 | 0 | 0 | 0 | 0 | 114 | G53 D62 E63 C66 | C51-G53 VanDerWaalsContact C-N 3.28Å; C51-D62 PolarHBondContact N-O 2.85Å; C51-E63 WeakPolarHBondContact CA-OE1 3.19Å; C51-E63 PolarHBondContact N-OE1 3.39Å; C51-C66 WeakPolarHBondContact CA-SG 3.31Å; C51-C66 HydrophobicContact CB-CB 3.67Å; C51-C66 WeakPolarHBondContact CB-SG 3.23Å; C51-C66 WeakPolarHBondContact SG-CA 3.09Å; C51-C66 WeakPolarHBondContact SG-CB 3.09Å; C51-C66 CovalentContact SG-SG 2.01Å; C51-C66 PolarHBondContact SG-SG 3.12Å |
| 52 | D | 79.9 | Confident | 79 | Confident | 65 Ų | 65 | 68.9 Ų | 68.9 | 35% | 0.348 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -90.2 | 0.2 | 174.1 | 75.8 | -4.1 | 0 | 0 | 0 | 112.4 | W54 E63 | D52-W54 VanDerWaalsContact C-N 3.35Å; D52-W54 WeakPolarHBondContact OD1-CB 3.24Å; D52-W54 PolarHBondContact OD1-N 2.98Å; D52-E63 PolarHBondContact N-OE1 2.82Å |
| 53 | G | 74.5 | Confident | 79.8 | Confident | 58 Ų | 58 | 67.9 Ų | 67.9 | 60% | 0.598 | 36% | 0.362 | S | S | * | . | S | Bend | trans | 85.7 | 5.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | C51 E63 | C51-G53 VanDerWaalsContact C-N 3.28Å; G53-E63 PolarHBondContact N-OE1 3.04Å; G53-E63 PolarHBondContact N-OE2 3.27Å |
| 54 | W | 73.3 | Confident | 79.9 | Confident | 194 Ų | 194 | 66.2 Ų | 66.2 | 74% | 0.735 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -124 | 119.2 | 178.2 | -61.6 | 88.7 | 0 | 0 | 0 | 110.6 | D52 T56 | D52-W54 VanDerWaalsContact C-N 3.35Å; D52-W54 WeakPolarHBondContact OD1-CB 3.24Å; D52-W54 PolarHBondContact OD1-N 2.98Å; W54-T56 PolarHBondContact O-N 3.32Å; W54-T56 PolarHBondContact O-OG1 3.38Å |
| 55 | A | 81.5 | Confident | 79.4 | Confident | 57 Ų | 57 | 70.9 Ų | 70.9 | 47% | 0.471 | 39% | 0.389 | S | S | . | . | trans | -64.9 | 100 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | E60 | A55-E60 HydrophobicContact CB-CB 4.23Å; A55-E60 HydrophobicContact CB-CG 3.86Å | ||
| 56 | T | 81.1 | Confident | 79.3 | Confident | 42 Ų | 42 | 72.7 Ų | 72.7 | 26% | 0.258 | 40% | 0.402 | S | S | . | . | trans | -95.1 | -29.9 | 177.6 | -55.2 | 0 | 0 | 0 | 0 | 111.1 | I45 W49 W54 D62 | I45-T56 HydrophobicContact CG2-CG2 4.09Å; W49-T56 HydrophobicContact CE3-CG2 3.91Å; W49-T56 HydrophobicContact CZ3-CG2 4.25Å; W54-T56 PolarHBondContact O-N 3.32Å; W54-T56 PolarHBondContact O-OG1 3.38Å; T56-D62 VanDerWaalsContact CA-OD2 3.32Å; T56-D62 WeakPolarHBondContact CA-OD2 3.32Å; T56-D62 VanDerWaalsContact CB-OD2 3.23Å; T56-D62 WeakPolarHBondContact CB-OD2 3.27Å; T56-D62 PolarHBondContact N-OD2 3.01Å | ||
| 57 | C | 81.4 | Confident | 78.9 | Confident | 4 Ų | 4 | 75.3 Ų | 75.3 | 3% | 0.027 | 42% | 0.419 | C | S | . | . | S | Bend | trans | -77.5 | 138.6 | 167.8 | -64.5 | 0 | 0 | 0 | 0 | 110.6 | C37 D59 E60 D62 | C37-C57 HydrophobicContact CB-CB 3.78Å; C37-C57 WeakPolarHBondContact CB-SG 3.26Å; C37-C57 WeakPolarHBondContact SG-CB 3.42Å; C37-C57 CovalentContact SG-SG 2.04Å; C37-C57 PolarHBondContact SG-SG 3.28Å; C57-D59 WeakPolarHBondContact CB-OD1 3.47Å; C57-D59 PolarHBondContact O-N 2.74Å; C57-D59 VanDerWaalsContact O-N 3.15Å; C57-E60 PolarHBondContact O-N 2.96Å; C57-D62 HydrophobicContact CB-CB 4.41Å; C57-D62 VanDerWaalsContact CB-OD1 3.31Å; C57-D62 WeakPolarHBondContact CB-OD1 3.42Å; C57-D62 PolarHBondContact N-OD1 2.87Å; C57-D62 PolarHBondContact N-OD2 3.35Å; C57-D62 VanDerWaalsContact N-OD2 3.12Å |
| 58 | E | 78.4 | Confident | 78 | Confident | 124 Ų | 124 | 80.7 Ų | 80.7 | 58% | 0.579 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -24 | 176.7 | -81 | -179.7 | 136.6 | 0 | 0 | 113.4 | G40 T41 | G40-E58 WeakPolarHBondContact CA-OE2 3.23Å; T41-E58 PolarHBondContact N-OE2 3.27Å; T41-E58 VanDerWaalsContact OG1-CD 3.26Å; T41-E58 PolarHBondContact OG1-OE1 3.13Å; T41-E58 PolarHBondContact OG1-OE2 3.08Å |
| 59 | D | 76.6 | Confident | 76.7 | Confident | 50 Ų | 50 | 81.7 Ų | 81.7 | 27% | 0.267 | 45% | 0.446 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | 10.6 | 176.7 | 69.1 | -23.9 | 0 | 0 | 0 | 113.3 | R38 S39 C57 S61 | R38-D59 VanDerWaalsContact C-OD2 3.29Å; R38-D59 VanDerWaalsContact CA-OD2 3.28Å; R38-D59 WeakPolarHBondContact CA-OD2 3.39Å; R38-D59 WeakPolarHBondContact CB-OD2 3.18Å; R38-D59 PolarHBondContact N-OD2 2.92Å; R38-D59 VanDerWaalsContact N-OD2 3.13Å; S39-D59 PolarHBondContact N-OD2 3.46Å; S39-D59 WeakPolarHBondContact O-CB 3.36Å; C57-D59 WeakPolarHBondContact CB-OD1 3.47Å; C57-D59 PolarHBondContact O-N 2.74Å; C57-D59 VanDerWaalsContact O-N 3.15Å; D59-S61 PolarHBondContact O-N 2.79Å; D59-S61 VanDerWaalsContact OD1-CB 3.27Å; D59-S61 WeakPolarHBondContact OD1-CB 3.15Å; D59-S61 PolarHBondContact OD1-N 3.3Å; D59-S61 PolarHBondContact OD1-OG 2.76Å; D59-S61 VanDerWaalsContact OD2-CB 3.3Å; D59-S61 WeakPolarHBondContact OD2-CB 3.49Å; D59-S61 PolarHBondContact OD2-OG 3.19Å; D59-S61 VanDerWaalsContact OD2-OG 3.13Å |
| 60 | E | 76.7 | Confident | 74.8 | Confident | 129 Ų | 129 | 82.4 Ų | 82.4 | 60% | 0.603 | 46% | 0.464 | S | S | * | . | trans | 53.9 | 21.6 | -179 | -47.9 | -175.7 | 156.5 | 0 | 0 | 113.1 | A55 C57 D62 E63 A64 | A55-E60 HydrophobicContact CB-CB 4.23Å; A55-E60 HydrophobicContact CB-CG 3.86Å; C57-E60 PolarHBondContact O-N 2.96Å; E60-D62 VanDerWaalsContact C-OD1 3.3Å; E60-D62 PolarHBondContact O-N 2.91Å; E60-E63 PolarHBondContact O-N 3.3Å; E60-E63 VanDerWaalsContact O-N 3.12Å; E60-A64 PolarHBondContact O-N 2.77Å | ||
| 61 | S | 80.4 | Confident | 73 | Confident | 11 Ų | 11 | 82.3 Ų | 82.3 | 8% | 0.077 | 48% | 0.481 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -17.2 | -172.8 | 55.7 | 0 | 0 | 0 | 0 | 113.7 | F35 C37 R38 D59 | F35-S61 WeakPolarHBondContact CZ-O 3.28Å; C37-S61 WeakPolarHBondContact CA-OG 3.3Å; R38-S61 PolarHBondContact N-OG 2.93Å; D59-S61 PolarHBondContact O-N 2.79Å; D59-S61 VanDerWaalsContact OD1-CB 3.27Å; D59-S61 WeakPolarHBondContact OD1-CB 3.15Å; D59-S61 PolarHBondContact OD1-N 3.3Å; D59-S61 PolarHBondContact OD1-OG 2.76Å; D59-S61 VanDerWaalsContact OD2-CB 3.3Å; D59-S61 WeakPolarHBondContact OD2-CB 3.49Å; D59-S61 PolarHBondContact OD2-OG 3.19Å; D59-S61 VanDerWaalsContact OD2-OG 3.13Å |
| 62 | D | 81.9 | Confident | 70.8 | Confident | 1 Ų | 1 | 89.6 Ų | 89.6 | 1% | 0.005 | 51% | 0.51 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -24.8 | 172.2 | 52.8 | -31.3 | 0 | 0 | 0 | 113.9 | F35 I45 C51 T56 C57 E60 | F35-D62 HydrophobicContact CD1-CB 4.4Å; F35-D62 HydrophobicContact CE1-CB 4.24Å; I45-D62 HydrophobicContact CD1-CB 3.43Å; I45-D62 VanDerWaalsContact CD1-CB 3.43Å; C51-D62 PolarHBondContact N-O 2.85Å; T56-D62 VanDerWaalsContact CA-OD2 3.32Å; T56-D62 WeakPolarHBondContact CA-OD2 3.32Å; T56-D62 VanDerWaalsContact CB-OD2 3.23Å; T56-D62 WeakPolarHBondContact CB-OD2 3.27Å; T56-D62 PolarHBondContact N-OD2 3.01Å; C57-D62 HydrophobicContact CB-CB 4.41Å; C57-D62 VanDerWaalsContact CB-OD1 3.31Å; C57-D62 WeakPolarHBondContact CB-OD1 3.42Å; C57-D62 PolarHBondContact N-OD1 2.87Å; C57-D62 PolarHBondContact N-OD2 3.35Å; C57-D62 VanDerWaalsContact N-OD2 3.12Å; E60-D62 VanDerWaalsContact C-OD1 3.3Å; E60-D62 PolarHBondContact O-N 2.91Å |
| 63 | E | 87.1 | Confident | 68.7 | Low | 52 Ų | 52 | 90.5 Ų | 90.5 | 24% | 0.243 | 53% | 0.527 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.3 | -8.9 | -179.6 | -63.7 | -60.5 | 133.5 | 0 | 0 | 113 | C51 D52 G53 E60 N65 | C51-E63 WeakPolarHBondContact CA-OE1 3.19Å; C51-E63 PolarHBondContact N-OE1 3.39Å; D52-E63 PolarHBondContact N-OE1 2.82Å; G53-E63 PolarHBondContact N-OE1 3.04Å; G53-E63 PolarHBondContact N-OE2 3.27Å; E60-E63 PolarHBondContact O-N 3.3Å; E60-E63 VanDerWaalsContact O-N 3.12Å; E63-N65 VanDerWaalsContact C-N 3.34Å; E63-N65 PolarHBondContact O-N 2.98Å |
| 64 | A | 75.9 | Confident | 67.2 | Low | 76 Ų | 76 | 96 Ų | 96 | 63% | 0.628 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | -8.9 | -171.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | E60 | E60-A64 PolarHBondContact O-N 2.77Š|
| 65 | N | 70.9 | Confident | 65.8 | Low | 145 Ų | 145 | 92.1 Ų | 92.1 | 78% | 0.775 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -148.5 | 48.6 | -177.6 | -162.8 | 21.3 | 0 | 0 | 0 | 113 | E63 | E63-N65 VanDerWaalsContact C-N 3.34Å; E63-N65 PolarHBondContact O-N 2.98Å |
| 66 | C | 79.8 | Confident | 63.6 | Low | 42 Ų | 42 | 97.9 Ų | 97.9 | 28% | 0.284 | 55% | 0.553 | S | S | . | * | trans | -83.2 | 138.7 | 179 | -63.5 | 0 | 0 | 0 | 0 | 111.7 | C51 E68 | C51-C66 WeakPolarHBondContact CA-SG 3.31Å; C51-C66 HydrophobicContact CB-CB 3.67Å; C51-C66 WeakPolarHBondContact CB-SG 3.23Å; C51-C66 WeakPolarHBondContact SG-CA 3.09Å; C51-C66 WeakPolarHBondContact SG-CB 3.09Å; C51-C66 CovalentContact SG-SG 2.01Å; C51-C66 PolarHBondContact SG-SG 3.12Å; C66-E68 PolarHBondContact O-N 3.05Å | ||
| 67 | P | 75.8 | Confident | 61.5 | Low | 102 Ų | 102 | 104.8 Ų | 104.8 | 66% | 0.662 | 58% | 0.582 | S | S | * | * | trans | -62.4 | 128.2 | 171.6 | 26 | -31.2 | 0 | 0 | 0 | 109.2 | V69 | P67-V69 VanDerWaalsContact C-N 3.33Å; P67-V69 PolarHBondContact O-N 2.91Å | ||
| 68 | E | 58 | Low | 59.5 | Low | 198 Ų | 198 | 107.3 Ų | 107.3 | 93% | 0.925 | 61% | 0.61 | S | S | * | * | trans | -62 | 94.3 | 171.1 | -80.8 | -173.3 | 156.9 | 0 | 0 | 109.3 | C66 | C66-E68 PolarHBondContact O-N 3.05Š| ||
| 69 | V | 52.9 | Low | 57.3 | Low | 124 Ų | 124 | 111.5 Ų | 111.5 | 75% | 0.752 | 63% | 0.626 | S | S | * | * | trans | -91.3 | 106.2 | 169.2 | -174.3 | 0 | 0 | 0 | 0 | 107.5 | P67 G71 | P67-V69 VanDerWaalsContact C-N 3.33Å; P67-V69 PolarHBondContact O-N 2.91Å; V69-G71 PolarHBondContact O-N 2.69Å | ||
| 70 | T | 42.1 | Very low | 55.4 | Low | 139 Ų | 139 | 118.3 Ų | 118.3 | 85% | 0.853 | 66% | 0.656 | S | S | * | * | trans | -54.7 | 130.3 | 172.8 | -16.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 71 | G | 42 | Very low | 53.2 | Low | 66 Ų | 66 | 116.5 Ų | 116.5 | 68% | 0.68 | 66% | 0.663 | S | S | * | * | trans | -66.3 | 160.7 | -153.4 | 0 | 0 | 0 | 0 | 0 | 118.5 | V69 | V69-G71 PolarHBondContact O-N 2.69Š| ||
| 72 | E | 35.8 | Very low | 50.9 | Low | 202 Ų | 202 | 122.5 Ų | 122.5 | 94% | 0.944 | 70% | 0.699 | S | S | * | * | -146 | 143.4 | 128.4 | -76.7 | -147 | 145.3 | 0 | 0 | 109.3 | |||||
| 73 | A | 37.3 | Very low | 48.6 | Very low | 85 Ų | 85 | 128.8 Ų | 128.8 | 70% | 0.702 | 73% | 0.733 | S | S | * | * | trans | -85.8 | 132.3 | -175 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 74 | H | 42.2 | Very low | 46.3 | Very low | 172 Ų | 172 | 131.8 Ų | 131.8 | 80% | 0.796 | 76% | 0.757 | S | S | * | * | trans | 64.4 | 167.3 | 148.6 | -72.6 | 78.5 | 0 | 0 | 0 | 118.5 | ||||
| 75 | P | 44.8 | Very low | 44.3 | Very low | 114 Ų | 114 | 138.4 Ų | 138.4 | 74% | 0.74 | 77% | 0.765 | S | S | * | * | cis | -137.1 | 178.5 | 1.2 | 25.6 | -0.5 | 0 | 0 | 0 | 115.8 | ||||
| 76 | H | 35.2 | Very low | 42.6 | Very low | 177 Ų | 177 | 140.6 Ų | 140.6 | 82% | 0.819 | 77% | 0.771 | S | S | * | * | trans | -45.4 | 143.2 | 154.3 | -64.4 | -85.7 | 0 | 0 | 0 | 114.1 | ||||
| 77 | H | 37.1 | Very low | 40.2 | Very low | 187 Ų | 187 | 142 Ų | 142 | 87% | 0.866 | 79% | 0.792 | S | S | * | * | 159.2 | 130.7 | 114.3 | -151.9 | -61.2 | 0 | 0 | 0 | 110.6 | |||||
| 78 | G | 38.3 | Very low | 38.1 | Very low | 58 Ų | 58 | 148.1 Ų | 148.1 | 60% | 0.598 | 80% | 0.802 | S | S | * | * | trans | -73.6 | 169.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 79 | K | 31.8 | Very low | 36.7 | Very low | 211 Ų | 211 | 144.4 Ų | 144.4 | 92% | 0.917 | 79% | 0.793 | S | S | * | * | trans | -164.6 | 135.7 | 149.2 | -107 | 178.5 | -173.5 | -178 | 0 | 112.1 | ||||
| 80 | E | 36.7 | Very low | 35.7 | Very low | 193 Ų | 193 | 150.4 Ų | 150.4 | 90% | 0.902 | 80% | 0.803 | S | S | * | * | trans | -57.1 | 147.5 | 165.2 | -80.5 | 157.2 | 104.7 | 0 | 0 | 113.2 | ||||
| 81 | A | 30.9 | Very low | 35 | Very low | 91 Ų | 91 | 147.9 Ų | 147.9 | 75% | 0.752 | 80% | 0.804 | S | S | * | * | trans | -175 | 123.6 | 136.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 82 | V | 31.9 | Very low | 34.4 | Very low | 138 Ų | 138 | 148.7 Ų | 148.7 | 84% | 0.836 | 81% | 0.813 | S | S | * | * | trans | 80.6 | 114.8 | 139 | -177.5 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 83 | D | 34.4 | Very low | 34.1 | Very low | 133 Ų | 133 | 146.4 Ų | 146.4 | 71% | 0.711 | 81% | 0.807 | S | S | * | * | trans | -60.5 | 145.8 | 163.1 | -166.2 | 0.9 | 0 | 0 | 0 | 111.9 | R85 | D83-R85 PolarHBondContact OD1-N 2.65Š| ||
| 84 | P | 38.7 | Very low | 35 | Very low | 115 Ų | 115 | 146.8 Ų | 146.8 | 75% | 0.747 | 80% | 0.802 | S | S | * | * | -143.5 | 123.7 | 110 | 33.6 | -16.9 | 0 | 0 | 0 | 114.6 | |||||
| 85 | R | 33.3 | Very low | 34.7 | Very low | 214 Ų | 214 | 145.4 Ų | 145.4 | 81% | 0.808 | 81% | 0.806 | S | S | * | * | trans | 42.4 | 119.7 | 139.1 | -64 | -173.1 | 177.1 | -173.3 | 0.4 | 117.8 | D83 | D83-R85 PolarHBondContact OD1-N 2.65Š| ||
| 86 | Q | 35.2 | Very low | 34.2 | Very low | 191 Ų | 191 | 146.3 Ų | 146.3 | 89% | 0.893 | 80% | 0.8 | S | S | * | * | 145.1 | 121.8 | 101.3 | -157.8 | 143.9 | 14.3 | 0 | 0 | 113.3 | |||||
| 87 | G | 30.1 | Very low | 34.1 | Very low | 71 Ų | 71 | 144.7 Ų | 144.7 | 73% | 0.732 | 79% | 0.791 | S | S | * | * | trans | 134.5 | 95.1 | 144.4 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 88 | R | 30.7 | Very low | 34.1 | Very low | 231 Ų | 231 | 142.1 Ų | 142.1 | 87% | 0.872 | 78% | 0.779 | S | S | * | * | trans | 74.7 | 101.7 | 133.3 | -94.5 | -179.6 | 171.4 | 164.8 | -2.7 | 122.9 | ||||
| 89 | T | 29.3 | Very low | 33.9 | Very low | 121 Ų | 121 | 142.4 Ų | 142.4 | 74% | 0.742 | 78% | 0.775 | S | S | * | * | 63.2 | 133 | 117.7 | 55.3 | 0 | 0 | 0 | 0 | 124.3 | |||||
| 90 | R | 30.9 | Very low | 34.1 | Very low | 250 Ų | 250 | 139.5 Ų | 139.5 | 94% | 0.943 | 78% | 0.775 | S | S | * | * | trans | 103.7 | 119.9 | 157.3 | -77 | -178 | 164.6 | 163.2 | -4.7 | 113.2 | ||||
| 91 | G | 29 | Very low | 33.9 | Very low | 85 Ų | 85 | 137.1 Ų | 137.1 | 88% | 0.876 | 77% | 0.768 | S | S | * | * | cis | 121.8 | 106.1 | 20.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 92 | G | 28.3 | Very low | 34.1 | Very low | 84 Ų | 84 | 138.7 Ų | 138.7 | 87% | 0.866 | 77% | 0.769 | S | S | * | * | trans | 152.8 | 98.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 93 | D | 29.2 | Very low | 34.3 | Very low | 154 Ų | 154 | 136.7 Ų | 136.7 | 82% | 0.824 | 77% | 0.767 | S | S | * | * | trans | -103.4 | 175 | 161.7 | -170.7 | 40.4 | 0 | 0 | 0 | 107.5 | ||||
| 94 | P | 56.6 | Low | 34.3 | Very low | 92 Ų | 92 | 138.2 Ų | 138.2 | 60% | 0.597 | 77% | 0.769 | S | S | * | * | cis | -121.7 | 159.6 | -32.2 | 19.2 | 1.1 | 0 | 0 | 0 | 112 | ||||
| 95 | T | 35.9 | Very low | 34.2 | Very low | 144 Ų | 144 | 138.2 Ų | 138.2 | 88% | 0.883 | 77% | 0.769 | S | S | * | * | trans | -170.6 | 94.7 | 142.2 | 38.5 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 96 | H | 35.4 | Very low | 34.4 | Very low | 132 Ų | 132 | 132.3 Ų | 132.3 | 61% | 0.611 | 76% | 0.757 | S | S | * | * | 40.3 | 107.9 | 122.1 | -141.8 | -100 | 0 | 0 | 0 | 122.2 | |||||
| 97 | F | 33 | Very low | 34.6 | Very low | 144 Ų | 144 | 134 Ų | 134 | 63% | 0.632 | 76% | 0.755 | S | S | * | * | trans | 75 | 144.5 | 131.1 | -69.6 | -144.9 | 0 | 0 | 0 | 118.8 | ||||
| 98 | H | 36.9 | Very low | 35 | Very low | 133 Ų | 133 | 134 Ų | 134 | 62% | 0.616 | 74% | 0.735 | S | S | * | * | cis | -159.4 | 162.7 | 12.7 | -119.8 | -37.6 | 0 | 0 | 0 | 111 | ||||
| 99 | A | 34.6 | Very low | 35.3 | Very low | 63 Ų | 63 | 127.3 Ų | 127.3 | 52% | 0.521 | 72% | 0.724 | S | S | . | * | trans | -68.7 | 156.8 | -177 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 100 | V | 34.7 | Very low | 36 | Very low | 150 Ų | 150 | 126.4 Ų | 126.4 | 91% | 0.909 | 72% | 0.722 | S | S | * | * | trans | -116.2 | 102.2 | 147.3 | 179.6 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 101 | N | 33.5 | Very low | 36.5 | Very low | 143 Ų | 143 | 121.3 Ų | 121.3 | 77% | 0.765 | 71% | 0.714 | S | S | * | * | trans | -81.4 | 113.8 | -180 | -68.5 | -35.9 | 0 | 0 | 0 | 109.7 | ||||
| 102 | V | 35.4 | Very low | 37.3 | Very low | 125 Ų | 125 | 122 Ų | 122 | 76% | 0.758 | 70% | 0.697 | S | S | * | * | trans | -79.5 | 133.8 | 143.1 | 173.7 | 0 | 0 | 0 | 0 | 105.3 | Q104 | V102-Q104 VanDerWaalsContact C-N 3.31Å; V102-Q104 PolarHBondContact O-N 2.9Å | ||
| 103 | A | 35.9 | Very low | 38.2 | Very low | 96 Ų | 96 | 127.1 Ų | 127.1 | 79% | 0.793 | 69% | 0.69 | S | S | * | * | trans | -60.2 | 96.7 | 173 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 104 | Q | 33.9 | Very low | 39.8 | Very low | 165 Ų | 165 | 124.4 Ų | 124.4 | 77% | 0.771 | 67% | 0.671 | S | S | * | * | trans | -64.1 | 142.7 | 162.4 | -73.6 | 178.8 | -28.1 | 0 | 0 | 106.9 | V102 V106 | V102-Q104 VanDerWaalsContact C-N 3.31Å; V102-Q104 PolarHBondContact O-N 2.9Å; Q104-V106 PolarHBondContact O-N 2.92Å | ||
| 105 | P | 36.7 | Very low | 40.3 | Very low | 114 Ų | 114 | 120.7 Ų | 120.7 | 74% | 0.74 | 65% | 0.647 | S | S | * | * | trans | -53.8 | 118.5 | 159.9 | 23.9 | -30 | 0 | 0 | 0 | 105.5 | R107 | P105-R107 PolarHBondContact O-N 3.22Š| ||
| 106 | V | 37.8 | Very low | 42 | Very low | 90 Ų | 90 | 116.7 Ų | 116.7 | 55% | 0.545 | 62% | 0.623 | S | S | . | * | trans | -62.3 | 95.8 | 174.3 | -176.5 | 0 | 0 | 0 | 0 | 104.4 | Q104 F108 | Q104-V106 PolarHBondContact O-N 2.92Å; V106-F108 HydrophobicContact CG1-CD2 4.46Å; V106-F108 HydrophobicContact CG1-CE2 4.43Å; V106-F108 PolarHBondContact O-N 3.24Å | ||
| 107 | R | 38.3 | Very low | 43.7 | Very low | 226 Ų | 226 | 114.9 Ų | 114.9 | 85% | 0.853 | 62% | 0.622 | S | S | * | * | trans | -62.3 | 97.8 | 160.5 | -78.3 | -171.7 | 178.1 | 154.9 | 0.5 | 103.2 | P105 S109 | P105-R107 PolarHBondContact O-N 3.22Å; R107-S109 VanDerWaalsContact C-N 3.28Å; R107-S109 PolarHBondContact O-N 2.75Å | ||
| 108 | F | 38.4 | Very low | 45.7 | Very low | 71 Ų | 71 | 110.5 Ų | 110.5 | 31% | 0.311 | 62% | 0.617 | S | S | . | * | trans | -49.4 | 109.6 | 163.2 | -80.6 | -87.3 | 0 | 0 | 0 | 104.4 | V106 S110 L112 P287 P303 | V106-F108 HydrophobicContact CG1-CD2 4.46Å; V106-F108 HydrophobicContact CG1-CE2 4.43Å; V106-F108 PolarHBondContact O-N 3.24Å; F108-S110 PolarHBondContact O-N 3.13Å; F108-L112 HydrophobicContact CD1-CD2 4.47Å; F108-P287 HydrophobicContact CE1-CB 4.44Å; F108-P287 HydrophobicContact CZ-CB 4.17Å; F108-P287 HydrophobicContact CZ-CG 4.13Å; F108-P303 HydrophobicContact CD1-CG 4.47Å; F108-P303 HydrophobicContact CD2-CG 3.77Å; F108-P303 HydrophobicContact CE1-CG 4.03Å; F108-P303 HydrophobicContact CE2-CB 3.97Å; F108-P303 HydrophobicContact CE2-CG 3.25Å; F108-P303 HydrophobicContact CG-CG 4.36Å; F108-P303 HydrophobicContact CZ-CB 4.11Å; F108-P303 HydrophobicContact CZ-CG 3.4Å; F108-P303 VanDerWaalsContact CZ-CG 3.4Å | ||
| 109 | S | 38.4 | Very low | 47.8 | Very low | 91 Ų | 91 | 105.4 Ų | 105.4 | 64% | 0.636 | 59% | 0.592 | S | S | * | * | trans | -51.3 | 138.3 | 177.7 | -68.6 | 0 | 0 | 0 | 0 | 106 | R107 N111 L112 | R107-S109 VanDerWaalsContact C-N 3.28Å; R107-S109 PolarHBondContact O-N 2.75Å; S109-N111 PolarHBondContact O-N 3.02Å; S109-L112 PolarHBondContact O-N 3.13Å; S109-L112 VanDerWaalsContact O-N 3.16Å | ||
| 110 | S | 43.9 | Very low | 50.1 | Low | 102 Ų | 102 | 105 Ų | 105 | 71% | 0.713 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.1 | 19.2 | 179.8 | 48.7 | 0 | 0 | 0 | 0 | 115.5 | F108 | F108-S110 PolarHBondContact O-N 3.13Š|
| 111 | N | 39.5 | Very low | 52.3 | Low | 143 Ų | 143 | 99.9 Ų | 99.9 | 77% | 0.765 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.2 | 14.2 | -179.2 | -66.7 | -23.6 | 0 | 0 | 0 | 112.8 | S109 R113 | S109-N111 PolarHBondContact O-N 3.02Å; N111-R113 PolarHBondContact O-N 2.57Å; N111-R113 VanDerWaalsContact O-N 3.09Å |
| 112 | L | 46.8 | Very low | 54.4 | Low | 99 Ų | 99 | 94.5 Ų | 94.5 | 52% | 0.518 | 52% | 0.515 | S | S | . | . | S | Bend | trans | -63.3 | 114.1 | 159.1 | -157.3 | 77.4 | 0 | 0 | 0 | 105.8 | F108 S109 K114 | F108-L112 HydrophobicContact CD1-CD2 4.47Å; S109-L112 PolarHBondContact O-N 3.13Å; S109-L112 VanDerWaalsContact O-N 3.16Å; L112-K114 PolarHBondContact O-N 2.04Å |
| 113 | R | 47.4 | Very low | 56.1 | Low | 192 Ų | 192 | 95.1 Ų | 95.1 | 73% | 0.725 | 51% | 0.509 | S | S | * | . | trans | -51.9 | 100.7 | -168.5 | -147.3 | -178.9 | -142.7 | 176.7 | 3 | 109.6 | N111 C115 | N111-R113 PolarHBondContact O-N 2.57Å; N111-R113 VanDerWaalsContact O-N 3.09Å; R113-C115 PolarHBondContact O-N 2.72Å | ||
| 114 | K | 63 | Low | 57.5 | Low | 98 Ų | 98 | 93.4 Ų | 93.4 | 43% | 0.426 | 50% | 0.501 | S | S | . | . | S | Bend | trans | -53.8 | -21.3 | -168.5 | -68.7 | -179.3 | 169.6 | -176.7 | 0 | 113.9 | L112 H121 E123 C128 | L112-K114 PolarHBondContact O-N 2.04Å; K114-H121 HydrophobicContact CB-CB 3.8Å; K114-H121 PolarHBondContact O-CD2 3.15Å; K114-E123 IonicContact NZ-OE1 2.7Å; K114-E123 PolarHBondContact NZ-OE1 3.21Å; K114-C128 PolarHBondContact O-SG 3.12Å |
| 115 | C | 67.3 | Low | 59.1 | Low | 13 Ų | 13 | 87.6 Ų | 87.6 | 9% | 0.088 | 48% | 0.477 | C | S | . | . | S | Bend | trans | -152 | 163.2 | 158.9 | -62.8 | 0 | 0 | 0 | 0 | 109.9 | R113 W119 H121 C128 | R113-C115 PolarHBondContact O-N 2.72Å; C115-W119 HydrophobicContact CB-CB 3.49Å; C115-W119 VanDerWaalsContact CB-CB 3.49Å; C115-W119 HydrophobicContact CB-CG 4.48Å; C115-H121 VanDerWaalsContact SG-CA 3.57Å; C115-H121 VanDerWaalsContact SG-CB 3.56Å; C115-C128 HydrophobicContact CB-CB 3.9Å; C115-C128 WeakPolarHBondContact CB-SG 3.45Å; C115-C128 WeakPolarHBondContact SG-CA 3.45Å; C115-C128 WeakPolarHBondContact SG-CB 3.28Å; C115-C128 CovalentContact SG-SG 2.02Å; C115-C128 PolarHBondContact SG-SG 3.31Å |
| 116 | P | 70.6 | Confident | 60.7 | Low | 60 Ų | 60 | 83 Ų | 83 | 39% | 0.39 | 45% | 0.449 | S | S | . | . | S | Bend | trans | -51.4 | 155.6 | 164.9 | -29.1 | 37.9 | 0 | 0 | 0 | 113.1 | G118 W119 | P116-G118 PolarHBondContact O-N 3.23Å; P116-W119 WeakPolarHBondContact O-CB 3.32Å; P116-W119 PolarHBondContact O-N 2.89Å; P116-W119 VanDerWaalsContact O-N 3.12Å |
| 117 | T | 72.3 | Confident | 62.6 | Low | 95 Ų | 95 | 79 Ų | 79 | 58% | 0.583 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | 128.9 | -177.2 | 50.1 | 0 | 0 | 0 | 0 | 112 | ||
| 118 | G | 74.4 | Confident | 64.8 | Low | 51 Ų | 51 | 68.4 Ų | 68.4 | 53% | 0.526 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.2 | 10.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | P116 R130 | P116-G118 PolarHBondContact O-N 3.23Å; G118-R130 VanDerWaalsContact O-CD 3.25Å; G118-R130 WeakPolarHBondContact O-CD 3.43Å; G118-R130 WeakPolarHBondContact O-CG 3.32Å |
| 119 | W | 81.8 | Confident | 67.1 | Low | 26 Ų | 26 | 65 Ų | 65 | 10% | 0.098 | 37% | 0.37 | C | S | . | . | trans | -112.3 | 140.9 | 172.4 | -67.4 | 75.3 | 0 | 0 | 0 | 110.5 | C115 P116 C128 Y129 R130 L148 C265 R267 | C115-W119 HydrophobicContact CB-CB 3.49Å; C115-W119 VanDerWaalsContact CB-CB 3.49Å; C115-W119 HydrophobicContact CB-CG 4.48Å; P116-W119 WeakPolarHBondContact O-CB 3.32Å; P116-W119 PolarHBondContact O-N 2.89Å; P116-W119 VanDerWaalsContact O-N 3.12Å; W119-C128 HydrophobicContact CB-CB 4.36Å; W119-C128 HydrophobicContact CD2-CB 4.44Å; W119-C128 HydrophobicContact CE3-CB 3.81Å; W119-Y129 CarbonylContact C-O 3.48Å; W119-Y129 WeakPolarHBondContact CA-O 3.22Å; W119-Y129 VanDerWaalsContact CE3-C 3.46Å; W119-R130 HydrophobicContact CD2-CB 3.55Å; W119-R130 HydrophobicContact CD2-CG 4.47Å; W119-R130 HydrophobicContact CE3-CB 3.54Å; W119-R130 HydrophobicContact CG-CB 4.1Å; W119-R130 HydrophobicContact CH2-CB 4.12Å; W119-R130 HydrophobicContact CZ2-CB 4.13Å; W119-R130 HydrophobicContact CZ3-CB 3.83Å; W119-L148 HydrophobicContact CZ2-CB 4.26Å; W119-C265 HydrophobicContact CH2-CB 3.81Å; W119-C265 HydrophobicContact CZ3-CB 4.15Å; W119-R267 HydrophobicContact CH2-CB 4.38Å; W119-R267 HydrophobicContact CZ3-CB 4.04Å | ||
| 120 | H | 82.2 | Confident | 69.5 | Low | 56 Ų | 56 | 64.6 Ų | 64.6 | 26% | 0.259 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 127.9 | 176.3 | -64.7 | -82 | 0 | 0 | 0 | 110 | C128 Y129 F163 Q167 | H120-C128 CarbonylContact O-C 3.56Å; H120-C128 WeakPolarHBondContact O-CA 3.36Å; H120-Y129 PolarHBondContact N-O 2.92Å; H120-Y129 PolarHBondContact O-N 3.27Å; H120-F163 HydrophobicContact CB-CE1 4.29Å; H120-F163 HydrophobicContact CB-CZ 4.02Å; H120-Q167 VanDerWaalsContact CE1-CD 3.45Å; H120-Q167 PolarHBondContact CE1-NE2 3.01Å; H120-Q167 VanDerWaalsContact ND1-CD 3.26Å; H120-Q167 PolarHBondContact ND1-NE2 3.34Å |
| 121 | H | 80.4 | Confident | 71.6 | Confident | 42 Ų | 42 | 60.7 Ų | 60.7 | 19% | 0.194 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 128.5 | -179.9 | 176.1 | -105.6 | 0 | 0 | 0 | 111.1 | K114 C115 F163 | K114-H121 HydrophobicContact CB-CB 3.8Å; K114-H121 PolarHBondContact O-CD2 3.15Å; C115-H121 VanDerWaalsContact SG-CA 3.57Å; C115-H121 VanDerWaalsContact SG-CB 3.56Å; H121-F163 WeakPolarHBondContact O-CZ 3.44Å |
| 122 | Y | 78.6 | Confident | 73.8 | Confident | 30 Ų | 30 | 55.6 Ų | 55.6 | 12% | 0.118 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 117.3 | 169.5 | -178.4 | -111.2 | 0 | 0 | 0 | 110.2 | G124 T125 A126 S127 Q159 E160 F163 | Y122-G124 VanDerWaalsContact C-N 3.31Å; Y122-G124 PolarHBondContact O-N 3.27Å; Y122-T125 HydrophobicContact CD1-CG2 4.34Å; Y122-T125 VanDerWaalsContact CD1-OG1 3.32Å; Y122-T125 WeakPolarHBondContact CD1-OG1 3.49Å; Y122-T125 HydrophobicContact CE1-CG2 4.07Å; Y122-A126 WeakPolarHBondContact O-CA 3.45Å; Y122-A126 PolarHBondContact O-N 3.05Å; Y122-A126 VanDerWaalsContact O-N 3.16Å; Y122-S127 PolarHBondContact N-O 2.88Å; Y122-S127 PolarHBondContact O-N 3.43Å; Y122-Q159 WeakPolarHBondContact OH-CB 3.4Å; Y122-E160 HydrophobicContact CD1-CB 4.24Å; Y122-E160 HydrophobicContact CD1-CG 3.97Å; Y122-E160 HydrophobicContact CE1-CB 3.85Å; Y122-E160 HydrophobicContact CE1-CG 4.09Å; Y122-F163 HydrophobicContact CD2-CB 3.55Å; Y122-F163 AromaticContact CD2-CD1 3.8Å; Y122-F163 HydrophobicContact CD2-CD1 3.8Å; Y122-F163 AromaticContact CD2-CD2 3.71Å; Y122-F163 HydrophobicContact CD2-CD2 3.71Å; Y122-F163 HydrophobicContact CD2-CE1 4.41Å; Y122-F163 HydrophobicContact CD2-CE2 4.32Å; Y122-F163 AromaticContact CD2-CG 3.39Å; Y122-F163 HydrophobicContact CD2-CG 3.39Å; Y122-F163 HydrophobicContact CE2-CB 3.73Å; Y122-F163 HydrophobicContact CE2-CD2 4.43Å; Y122-F163 HydrophobicContact CE2-CG 4.09Å; Y122-F163 HydrophobicContact CG-CB 4.45Å; Y122-F163 HydrophobicContact CG-CD1 4.07Å; Y122-F163 HydrophobicContact CG-CE1 4.49Å; Y122-F163 HydrophobicContact CG-CG 4.14Å |
| 123 | E | 69.4 | Low | 75.6 | Confident | 138 Ų | 138 | 55.6 Ų | 55.6 | 65% | 0.645 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -25.4 | -173.6 | -55.5 | -167.2 | 146.4 | 0 | 0 | 113.4 | K114 | K114-E123 IonicContact NZ-OE1 2.7Å; K114-E123 PolarHBondContact NZ-OE1 3.21Å |
| 124 | G | 66.8 | Low | 77.1 | Confident | 60 Ų | 60 | 48.8 Ų | 48.8 | 62% | 0.619 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | -32.4 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y122 | Y122-G124 VanDerWaalsContact C-N 3.31Å; Y122-G124 PolarHBondContact O-N 3.27Å |
| 125 | T | 66.6 | Low | 78.2 | Confident | 43 Ų | 43 | 46.3 Ų | 46.3 | 26% | 0.264 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.5 | 13.9 | -179.6 | 60.1 | 0 | 0 | 0 | 0 | 111.9 | Y122 S127 S156 E160 | Y122-T125 HydrophobicContact CD1-CG2 4.34Å; Y122-T125 VanDerWaalsContact CD1-OG1 3.32Å; Y122-T125 WeakPolarHBondContact CD1-OG1 3.49Å; Y122-T125 HydrophobicContact CE1-CG2 4.07Å; T125-S127 PolarHBondContact O-N 3.2Å; T125-S127 VanDerWaalsContact O-N 3.11Å; T125-S127 PolarHBondContact O-OG 3.48Å; T125-S127 VanDerWaalsContact O-OG 3.05Å; T125-S127 VanDerWaalsContact OG1-CB 3.28Å; T125-S127 WeakPolarHBondContact OG1-CB 3.29Å; T125-S127 PolarHBondContact OG1-OG 3.07Å; T125-S127 VanDerWaalsContact OG1-OG 3.12Å; T125-S156 WeakPolarHBondContact CG2-OG 3.11Å; T125-E160 PolarHBondContact OG1-OE1 3.05Å |
| 126 | A | 69.9 | Low | 79.2 | Confident | 18 Ų | 18 | 47.7 Ų | 47.7 | 15% | 0.149 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 44.2 | 47 | -173.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y122 Q269 G300 | Y122-A126 WeakPolarHBondContact O-CA 3.45Å; Y122-A126 PolarHBondContact O-N 3.05Å; Y122-A126 VanDerWaalsContact O-N 3.16Å; A126-Q269 HydrophobicContact CB-CB 4.05Å; A126-Q269 WeakPolarHBondContact O-CA 3.4Å; A126-Q269 WeakPolarHBondContact O-CB 3.07Å; A126-Q269 PolarHBondContact O-N 3.39Å; A126-G300 WeakPolarHBondContact CB-O 3.34Å |
| 127 | S | 79.1 | Confident | 80.2 | Confident | 4 Ų | 4 | 46.5 Ų | 46.5 | 3% | 0.028 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 136.6 | -172.1 | -74.1 | 0 | 0 | 0 | 0 | 111 | Y122 T125 K266 | Y122-S127 PolarHBondContact N-O 2.88Å; Y122-S127 PolarHBondContact O-N 3.43Å; T125-S127 PolarHBondContact O-N 3.2Å; T125-S127 VanDerWaalsContact O-N 3.11Å; T125-S127 PolarHBondContact O-OG 3.48Å; T125-S127 VanDerWaalsContact O-OG 3.05Å; T125-S127 VanDerWaalsContact OG1-CB 3.28Å; T125-S127 WeakPolarHBondContact OG1-CB 3.29Å; T125-S127 PolarHBondContact OG1-OG 3.07Å; T125-S127 VanDerWaalsContact OG1-OG 3.12Å; S127-K266 VanDerWaalsContact OG-CE 3.26Å; S127-K266 WeakPolarHBondContact OG-CE 3.06Å |
| 128 | C | 84.8 | Confident | 81 | Confident | 4 Ų | 4 | 42 Ų | 42 | 3% | 0.027 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 131.9 | 178.4 | -66.9 | 0 | 0 | 0 | 0 | 110.8 | K114 C115 W119 H120 K266 R267 | K114-C128 PolarHBondContact O-SG 3.12Å; C115-C128 HydrophobicContact CB-CB 3.9Å; C115-C128 WeakPolarHBondContact CB-SG 3.45Å; C115-C128 WeakPolarHBondContact SG-CA 3.45Å; C115-C128 WeakPolarHBondContact SG-CB 3.28Å; C115-C128 CovalentContact SG-SG 2.02Å; C115-C128 PolarHBondContact SG-SG 3.31Å; W119-C128 HydrophobicContact CB-CB 4.36Å; W119-C128 HydrophobicContact CD2-CB 4.44Å; W119-C128 HydrophobicContact CE3-CB 3.81Å; H120-C128 CarbonylContact O-C 3.56Å; H120-C128 WeakPolarHBondContact O-CA 3.36Å; C128-K266 CarbonylContact O-C 3.46Å; C128-K266 WeakPolarHBondContact O-CA 3.36Å; C128-R267 HydrophobicContact CB-CB 4.3Å; C128-R267 WeakPolarHBondContact CB-O 3.46Å; C128-R267 PolarHBondContact N-O 3.35Å; C128-R267 PolarHBondContact O-N 2.76Å |
| 129 | Y | 86.8 | Confident | 81.7 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 143.8 | 179.6 | -69.3 | -85 | 0 | 0 | 0 | 113 | W119 H120 A153 F155 E160 F163 V164 L264 C265 K266 | W119-Y129 CarbonylContact C-O 3.48Å; W119-Y129 WeakPolarHBondContact CA-O 3.22Å; W119-Y129 VanDerWaalsContact CE3-C 3.46Å; H120-Y129 PolarHBondContact N-O 2.92Å; H120-Y129 PolarHBondContact O-N 3.27Å; Y129-A153 HydrophobicContact CD1-CB 4.3Å; Y129-A153 HydrophobicContact CE1-CB 4.04Å; Y129-F155 HydrophobicContact CE1-CE1 4.24Å; Y129-E160 HydrophobicContact CE2-CG 4.1Å; Y129-E160 WeakPolarHBondContact OH-CG 3.34Å; Y129-E160 PolarHBondContact OH-OE1 2.8Å; Y129-F163 HydrophobicContact CD2-CD1 4.38Å; Y129-F163 HydrophobicContact CD2-CE1 4.06Å; Y129-V164 HydrophobicContact CD1-CG2 3.92Å; Y129-V164 HydrophobicContact CD2-CG2 4.3Å; Y129-V164 HydrophobicContact CE1-CG2 4.03Å; Y129-V164 HydrophobicContact CE2-CG2 4.42Å; Y129-V164 HydrophobicContact CG-CG2 4.03Å; Y129-L264 HydrophobicContact CD1-CD1 4.27Å; Y129-L264 HydrophobicContact CD1-CD2 4.3Å; Y129-L264 HydrophobicContact CD1-CG 4.35Å; Y129-C265 WeakPolarHBondContact CA-O 3.29Å; Y129-K266 HydrophobicContact CD1-CB 4.08Å; Y129-K266 HydrophobicContact CD1-CG 4.37Å; Y129-K266 HydrophobicContact CE1-CB 3.72Å; Y129-K266 HydrophobicContact CE1-CD 3.87Å; Y129-K266 HydrophobicContact CE1-CG 3.75Å; Y129-K266 WeakPolarHBondContact OH-CD 3.2Å; Y129-K266 WeakPolarHBondContact OH-CE 3.07Å; Y129-K266 PolarHBondContact OH-NZ 2.78Å |
| 130 | R | 87.4 | Confident | 82.2 | Confident | 83 Ų | 83 | 47.6 Ų | 47.6 | 31% | 0.313 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 133.5 | 172.9 | -176.9 | 170.7 | 178.9 | -175.4 | 6.5 | 111.2 | G118 W119 Y132 C265 | G118-R130 VanDerWaalsContact O-CD 3.25Å; G118-R130 WeakPolarHBondContact O-CD 3.43Å; G118-R130 WeakPolarHBondContact O-CG 3.32Å; W119-R130 HydrophobicContact CD2-CB 3.55Å; W119-R130 HydrophobicContact CD2-CG 4.47Å; W119-R130 HydrophobicContact CE3-CB 3.54Å; W119-R130 HydrophobicContact CG-CB 4.1Å; W119-R130 HydrophobicContact CH2-CB 4.12Å; W119-R130 HydrophobicContact CZ2-CB 4.13Å; W119-R130 HydrophobicContact CZ3-CB 3.83Å; R130-Y132 HydrophobicContact CB-CE2 4.1Å; R130-Y132 VanDerWaalsContact CD-OH 3.29Å; R130-Y132 WeakPolarHBondContact CD-OH 3.32Å; R130-Y132 HydrophobicContact CG-CD2 4.31Å; R130-Y132 HydrophobicContact CG-CE2 3.72Å; R130-Y132 PolarHBondContact NE-OH 2.7Å; R130-Y132 PolarHBondContact NH1-OH 2.66Å; R130-Y132 VanDerWaalsContact NH1-OH 3.11Å; R130-C265 PolarHBondContact N-O 2.72Å; R130-C265 PolarHBondContact O-N 3.25Å |
| 131 | V | 88 | Confident | 82.7 | Confident | 19 Ų | 19 | 44.9 Ų | 44.9 | 12% | 0.115 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 140.4 | 171.5 | 163.6 | 0 | 0 | 0 | 0 | 110.2 | L133 W169 L184 F263 L264 | V131-L133 HydrophobicContact CG1-CD2 3.78Å; V131-L133 HydrophobicContact CG1-CG 4.4Å; V131-W169 HydrophobicContact CB-CB 4.1Å; V131-W169 HydrophobicContact CB-CD2 3.92Å; V131-W169 HydrophobicContact CB-CE3 3.42Å; V131-W169 VanDerWaalsContact CB-CE3 3.42Å; V131-W169 HydrophobicContact CB-CG 4.24Å; V131-W169 HydrophobicContact CB-CZ3 4.11Å; V131-W169 HydrophobicContact CG1-CB 4.36Å; V131-W169 HydrophobicContact CG2-CB 4.19Å; V131-W169 HydrophobicContact CG2-CD2 3.31Å; V131-W169 HydrophobicContact CG2-CE3 3.07Å; V131-W169 HydrophobicContact CG2-CG 3.83Å; V131-W169 HydrophobicContact CG2-CH2 4.23Å; V131-W169 HydrophobicContact CG2-CZ2 4.45Å; V131-W169 HydrophobicContact CG2-CZ3 3.55Å; V131-L184 HydrophobicContact CG1-CD2 3.86Å; V131-L184 HydrophobicContact CG2-CD1 3.89Å; V131-L184 HydrophobicContact CG2-CD2 4.03Å; V131-F263 WeakPolarHBondContact CA-O 3.4Å; V131-L264 HydrophobicContact CG2-CB 4.31Å; V131-L264 HydrophobicContact CG2-CD1 3.51Å; V131-L264 HydrophobicContact CG2-CG 4.49Å |
| 132 | Y | 87.1 | Confident | 83 | Confident | 36 Ų | 36 | 43 Ų | 43 | 14% | 0.141 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 122.8 | 170.6 | -70.1 | -90.6 | 0 | 0 | 0 | 108.5 | R130 S134 L148 S262 F263 C265 | R130-Y132 HydrophobicContact CB-CE2 4.1Å; R130-Y132 VanDerWaalsContact CD-OH 3.29Å; R130-Y132 WeakPolarHBondContact CD-OH 3.32Å; R130-Y132 HydrophobicContact CG-CD2 4.31Å; R130-Y132 HydrophobicContact CG-CE2 3.72Å; R130-Y132 PolarHBondContact NE-OH 2.7Å; R130-Y132 PolarHBondContact NH1-OH 2.66Å; R130-Y132 VanDerWaalsContact NH1-OH 3.11Å; Y132-S134 VanDerWaalsContact C-N 3.28Å; Y132-L148 HydrophobicContact CE1-CD1 4.19Å; Y132-L148 HydrophobicContact CE2-CD1 3.71Å; Y132-L148 WeakPolarHBondContact OH-CD1 3.41Å; Y132-S262 WeakPolarHBondContact O-CA 3.11Å; Y132-S262 WeakPolarHBondContact O-CB 3.33Å; Y132-F263 VanDerWaalsContact CB-CE2 3.45Å; Y132-F263 HydrophobicContact CD1-CZ 4.41Å; Y132-F263 HydrophobicContact CD2-CD2 4.1Å; Y132-F263 AromaticContact CD2-CE2 3.57Å; Y132-F263 HydrophobicContact CD2-CE2 3.57Å; Y132-F263 HydrophobicContact CD2-CZ 4.18Å; Y132-F263 HydrophobicContact CG-CD2 4.34Å; Y132-F263 AromaticContact CG-CE2 3.61Å; Y132-F263 HydrophobicContact CG-CE2 3.61Å; Y132-F263 AromaticContact CG-CZ 3.72Å; Y132-F263 HydrophobicContact CG-CZ 3.72Å; Y132-F263 PolarHBondContact N-O 2.78Å; Y132-F263 PolarHBondContact O-N 2.84Å; Y132-C265 HydrophobicContact CD2-CB 4.48Å; Y132-C265 HydrophobicContact CE2-CB 4.21Å |
| 133 | L | 84.4 | Confident | 83.5 | Confident | 99 Ų | 99 | 46.7 Ų | 46.7 | 52% | 0.518 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 0.3 | -179.3 | -59.2 | 177.5 | 0 | 0 | 0 | 112.8 | V131 G135 | V131-L133 HydrophobicContact CG1-CD2 3.78Å; V131-L133 HydrophobicContact CG1-CG 4.4Å; L133-G135 PolarHBondContact O-N 2.82Å |
| 134 | S | 79.2 | Confident | 84.5 | Confident | 50 Ų | 50 | 41.5 Ų | 41.5 | 35% | 0.35 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 123.8 | 171.5 | 45.8 | 0 | 0 | 0 | 0 | 109 | Y132 E136 F263 | Y132-S134 VanDerWaalsContact C-N 3.28Å; S134-E136 WeakPolarHBondContact CB-OE1 3.02Å; S134-E136 PolarHBondContact O-N 3.12Å; S134-E136 PolarHBondContact OG-OE1 2.83Å; S134-F263 VanDerWaalsContact OG-CE1 3.3Å; S134-F263 WeakPolarHBondContact OG-CE1 3.33Å |
| 135 | G | 84.4 | Confident | 85.5 | Confident | 45 Ų | 45 | 38.6 Ų | 38.6 | 46% | 0.464 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 94.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | L133 | L133-G135 PolarHBondContact O-N 2.82Å |
| 136 | E | 88.5 | Confident | 86.4 | Confident | 42 Ų | 42 | 40.9 Ų | 40.9 | 20% | 0.196 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 157.1 | -179.9 | -74.2 | 171.7 | -144.6 | 0 | 0 | 110.2 | S134 D140 A141 T144 W185 K260 S261 F263 | S134-E136 WeakPolarHBondContact CB-OE1 3.02Å; S134-E136 PolarHBondContact O-N 3.12Å; S134-E136 PolarHBondContact OG-OE1 2.83Å; E136-D140 HydrophobicContact CB-CB 4.35Å; E136-A141 HydrophobicContact CB-CB 4.25Å; E136-T144 PolarHBondContact OE2-OG1 2.83Å; E136-W185 PolarHBondContact O-NE1 3.28Å; E136-K260 WeakPolarHBondContact O-CA 3.48Å; E136-S261 PolarHBondContact N-O 3.31Å; E136-S261 VanDerWaalsContact N-O 3.12Å; E136-S261 PolarHBondContact O-N 3.09Å; E136-F263 HydrophobicContact CB-CD1 4.25Å; E136-F263 HydrophobicContact CB-CE1 4Å; E136-F263 VanDerWaalsContact CD-CE1 3.48Å; E136-F263 HydrophobicContact CG-CE1 4.07Å |
| 137 | N | 91.7 | Very high | 87.1 | Confident | 36 Ų | 36 | 48.7 Ų | 48.7 | 19% | 0.193 | 24% | 0.238 | C | C | . | . | trans | -72.8 | 167.5 | 169.4 | 68.2 | 40.3 | 0 | 0 | 0 | 109.7 | W139 D140 A141 E259 | N137-W139 VanDerWaalsContact C-N 3.33Å; N137-W139 PolarHBondContact O-N 2.82Å; N137-W139 PolarHBondContact OD1-N 3.21Å; N137-D140 VanDerWaalsContact CG-CG 3.44Å; N137-D140 VanDerWaalsContact CG-OD2 3.24Å; N137-D140 PolarHBondContact ND2-OD2 3.46Å; N137-D140 WeakPolarHBondContact OD1-CA 3.43Å; N137-D140 WeakPolarHBondContact OD1-CB 3.12Å; N137-D140 PolarHBondContact OD1-N 3.32Å; N137-D140 PolarHBondContact OD1-OD1 3.33Å; N137-D140 PolarHBondContact OD1-OD2 2.83Å; N137-A141 VanDerWaalsContact O-CB 3.22Å; N137-A141 WeakPolarHBondContact O-CB 3.37Å; N137-A141 PolarHBondContact O-N 2.86Å; N137-E259 WeakPolarHBondContact CA-O 3.47Å | ||
| 138 | Y | 90.1 | Very high | 87.2 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -58.7 | -43.8 | -175 | -175.1 | -97.4 | 0 | 0 | 0 | 113.2 | A141 A142 L152 W185 V186 A206 C233 C257 | Y138-A141 PolarHBondContact O-N 3.12Å; Y138-A142 WeakPolarHBondContact O-CB 3.27Å; Y138-A142 PolarHBondContact O-N 2.03Å; Y138-L152 HydrophobicContact CD1-CD1 4.45Å; Y138-L152 HydrophobicContact CD2-CD1 4.08Å; Y138-L152 HydrophobicContact CE1-CD1 3.97Å; Y138-L152 HydrophobicContact CE2-CD1 3.59Å; Y138-L152 HydrophobicContact CG-CD1 4.5Å; Y138-W185 HydrophobicContact CD2-CB 4.37Å; Y138-W185 AromaticContact CD2-CD2 3.99Å; Y138-W185 HydrophobicContact CD2-CD2 3.99Å; Y138-W185 AromaticContact CD2-CE3 3.69Å; Y138-W185 HydrophobicContact CD2-CE3 3.69Å; Y138-W185 HydrophobicContact CD2-CG 4.31Å; Y138-W185 HydrophobicContact CD2-CZ3 4.28Å; Y138-W185 HydrophobicContact CE2-CE3 4.39Å; Y138-V186 VanDerWaalsContact CE2-O 3.29Å; Y138-V186 WeakPolarHBondContact CE2-O 3.18Å; Y138-V186 PolarHBondContact OH-O 2.64Å; Y138-A206 HydrophobicContact CE1-CB 4.05Å; Y138-A206 WeakPolarHBondContact OH-CB 3.48Å; Y138-C233 HydrophobicContact CD1-CB 4.45Å; Y138-C233 WeakPolarHBondContact CD1-SG 3.47Å; Y138-C233 HydrophobicContact CD2-CB 3.52Å; Y138-C233 VanDerWaalsContact CD2-SG 3.59Å; Y138-C233 HydrophobicContact CE2-CB 3.89Å; Y138-C233 HydrophobicContact CG-CB 3.8Å; Y138-C257 WeakPolarHBondContact CB-O 3.37Å; Y138-C257 PolarHBondContact N-O 3.39Å; Y138-C257 VanDerWaalsContact N-O 3.09Å |
| 139 | W | 89.8 | Confident | 86.8 | Confident | 118 Ų | 118 | 55.6 Ų | 55.6 | 45% | 0.447 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -73.1 | -41.3 | -174.8 | -55.6 | 109.9 | 0 | 0 | 0 | 112.4 | N137 A142 Q143 | N137-W139 VanDerWaalsContact C-N 3.33Å; N137-W139 PolarHBondContact O-N 2.82Å; N137-W139 PolarHBondContact OD1-N 3.21Å; W139-A142 WeakPolarHBondContact O-CB 3.5Å; W139-A142 PolarHBondContact O-N 3.41Å; W139-Q143 PolarHBondContact O-N 3.32Å |
| 140 | D | 91.9 | Very high | 86.6 | Confident | 76 Ų | 76 | 56.5 Ų | 56.5 | 41% | 0.406 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -63.7 | -44.4 | 174 | -66.7 | -14.3 | 0 | 0 | 0 | 109.6 | E136 N137 A142 Q143 T144 | E136-D140 HydrophobicContact CB-CB 4.35Å; N137-D140 VanDerWaalsContact CG-CG 3.44Å; N137-D140 VanDerWaalsContact CG-OD2 3.24Å; N137-D140 PolarHBondContact ND2-OD2 3.46Å; N137-D140 WeakPolarHBondContact OD1-CA 3.43Å; N137-D140 WeakPolarHBondContact OD1-CB 3.12Å; N137-D140 PolarHBondContact OD1-N 3.32Å; N137-D140 PolarHBondContact OD1-OD1 3.33Å; N137-D140 PolarHBondContact OD1-OD2 2.83Å; D140-A142 VanDerWaalsContact C-N 3.34Å; D140-A142 PolarHBondContact O-N 2.91Å; D140-Q143 PolarHBondContact O-N 2.51Å; D140-T144 WeakPolarHBondContact O-CB 3.33Å; D140-T144 PolarHBondContact O-N 3.24Å; D140-T144 PolarHBondContact O-OG1 3.22Å |
| 141 | A | 91.1 | Very high | 86.6 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.3 | -42.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | E136 N137 Y138 T144 C145 L152 F263 | E136-A141 HydrophobicContact CB-CB 4.25Å; N137-A141 VanDerWaalsContact O-CB 3.22Å; N137-A141 WeakPolarHBondContact O-CB 3.37Å; N137-A141 PolarHBondContact O-N 2.86Å; Y138-A141 PolarHBondContact O-N 3.12Å; A141-T144 PolarHBondContact O-N 3Å; A141-C145 PolarHBondContact O-N 3.22Å; A141-C145 PolarHBondContact O-SG 2.83Å; A141-C145 VanDerWaalsContact O-SG 3.37Å; A141-L152 HydrophobicContact CB-CD2 4.33Å; A141-F263 HydrophobicContact CB-CB 3.77Å; A141-F263 HydrophobicContact CB-CD1 3.69Å; A141-F263 HydrophobicContact CB-CD2 3.99Å; A141-F263 HydrophobicContact CB-CE1 4.2Å; A141-F263 HydrophobicContact CB-CE2 4.47Å; A141-F263 HydrophobicContact CB-CG 3.56Å |
| 142 | A | 88.4 | Confident | 86.7 | Confident | 3 Ų | 3 | 53.6 Ų | 53.6 | 3% | 0.025 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59.8 | -46 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | Y138 W139 D140 T144 C145 Q146 L152 F207 | Y138-A142 WeakPolarHBondContact O-CB 3.27Å; Y138-A142 PolarHBondContact O-N 2.03Å; W139-A142 WeakPolarHBondContact O-CB 3.5Å; W139-A142 PolarHBondContact O-N 3.41Å; D140-A142 VanDerWaalsContact C-N 3.34Å; D140-A142 PolarHBondContact O-N 2.91Å; A142-T144 VanDerWaalsContact C-N 3.33Å; A142-T144 PolarHBondContact O-N 2.76Å; A142-C145 PolarHBondContact O-N 3.03Å; A142-Q146 VanDerWaalsContact O-CG 3.31Å; A142-Q146 WeakPolarHBondContact O-CG 3.4Å; A142-Q146 PolarHBondContact O-N 2.78Å; A142-L152 HydrophobicContact CB-CD1 3.66Å; A142-L152 HydrophobicContact CB-CG 4.15Å; A142-F207 HydrophobicContact CB-CE2 3.83Å; A142-F207 HydrophobicContact CB-CZ 4.25Å |
| 143 | Q | 88.9 | Confident | 86.8 | Confident | 107 Ų | 107 | 51.9 Ų | 51.9 | 50% | 0.5 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -65.4 | -37.1 | 177.5 | -165.6 | -177.9 | 18.9 | 0 | 0 | 111.9 | W139 D140 Q146 R147 | W139-Q143 PolarHBondContact O-N 3.32Å; D140-Q143 PolarHBondContact O-N 2.51Å; Q143-Q146 WeakPolarHBondContact O-CB 3.41Å; Q143-Q146 PolarHBondContact O-N 3.01Å; Q143-R147 PolarHBondContact O-N 2.77Å |
| 144 | T | 89.3 | Confident | 86.9 | Confident | 28 Ų | 28 | 48.4 Ų | 48.4 | 17% | 0.172 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.7 | -45.9 | 174.5 | -63.7 | 0 | 0 | 0 | 0 | 110.7 | E136 D140 A141 A142 Q146 R147 L148 F263 | E136-T144 PolarHBondContact OE2-OG1 2.83Å; D140-T144 WeakPolarHBondContact O-CB 3.33Å; D140-T144 PolarHBondContact O-N 3.24Å; D140-T144 PolarHBondContact O-OG1 3.22Å; A141-T144 PolarHBondContact O-N 3Å; A142-T144 VanDerWaalsContact C-N 3.33Å; A142-T144 PolarHBondContact O-N 2.76Å; T144-Q146 VanDerWaalsContact C-N 3.34Å; T144-Q146 PolarHBondContact O-N 2.99Å; T144-R147 PolarHBondContact O-N 2.83Å; T144-L148 HydrophobicContact CG2-CD1 4.28Å; T144-L148 WeakPolarHBondContact O-CD1 3.43Å; T144-L148 WeakPolarHBondContact O-CG 3.38Å; T144-L148 PolarHBondContact O-N 2.95Å; T144-F263 HydrophobicContact CG2-CE2 3.97Å; T144-F263 HydrophobicContact CG2-CZ 3.75Å |
| 145 | C | 87.4 | Confident | 87.1 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.2 | -38.9 | 174.6 | -62.8 | 0 | 0 | 0 | 0 | 112.3 | A141 A142 R147 L148 G150 C265 | A141-C145 PolarHBondContact O-N 3.22Å; A141-C145 PolarHBondContact O-SG 2.83Å; A141-C145 VanDerWaalsContact O-SG 3.37Å; A142-C145 PolarHBondContact O-N 3.03Å; C145-R147 PolarHBondContact O-N 3.16Å; C145-L148 CarbonylContact O-C 3.41Å; C145-L148 WeakPolarHBondContact O-CA 3.37Å; C145-L148 WeakPolarHBondContact O-CB 3.39Å; C145-L148 PolarHBondContact O-N 3.4Å; C145-G150 CarbonylContact C-O 3.51Å; C145-G150 VanDerWaalsContact C-O 3.3Å; C145-G150 CarbonylContact O-C 3.49Å; C145-G150 PolarHBondContact O-N 3.25Å; C145-G150 VanDerWaalsContact O-O 3.09Å; C145-C265 VanDerWaalsContact CA-SG 3.51Å; C145-C265 HydrophobicContact CB-CB 3.87Å; C145-C265 WeakPolarHBondContact CB-SG 3.45Å; C145-C265 VanDerWaalsContact SG-CA 3.51Å; C145-C265 WeakPolarHBondContact SG-CB 3.5Å; C145-C265 CovalentContact SG-SG 2.04Å; C145-C265 PolarHBondContact SG-SG 2.76Å |
| 146 | Q | 85.9 | Confident | 86.7 | Confident | 90 Ų | 90 | 46.1 Ų | 46.1 | 42% | 0.421 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -61.3 | -41.9 | 175 | -75.1 | 174.5 | -5.7 | 0 | 0 | 112.4 | A142 Q143 T144 L148 N149 G150 | A142-Q146 VanDerWaalsContact O-CG 3.31Å; A142-Q146 WeakPolarHBondContact O-CG 3.4Å; A142-Q146 PolarHBondContact O-N 2.78Å; Q143-Q146 WeakPolarHBondContact O-CB 3.41Å; Q143-Q146 PolarHBondContact O-N 3.01Å; T144-Q146 VanDerWaalsContact C-N 3.34Å; T144-Q146 PolarHBondContact O-N 2.99Å; Q146-L148 PolarHBondContact O-N 2.69Å; Q146-L148 VanDerWaalsContact O-N 3.14Å; Q146-N149 PolarHBondContact O-N 3.03Å; Q146-G150 VanDerWaalsContact CA-O 3.23Å; Q146-G150 WeakPolarHBondContact CA-O 3.46Å; Q146-G150 PolarHBondContact N-O 3.05Å |
| 147 | R | 84.6 | Confident | 86.1 | Confident | 182 Ų | 182 | 46.5 Ų | 46.5 | 69% | 0.687 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -61.5 | -21.4 | 174.6 | -167.2 | -178.4 | -63 | 147.9 | 4.6 | 112.7 | Q143 T144 C145 N149 | Q143-R147 PolarHBondContact O-N 2.77Å; T144-R147 PolarHBondContact O-N 2.83Å; C145-R147 PolarHBondContact O-N 3.16Å; R147-N149 VanDerWaalsContact C-N 3.33Å |
| 148 | L | 81.9 | Confident | 85.5 | Confident | 51 Ų | 51 | 48.1 Ų | 48.1 | 27% | 0.267 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95 | 16.7 | 178.5 | -62.8 | 162.7 | 0 | 0 | 0 | 112.9 | W119 Y132 T144 C145 Q146 G150 R267 | W119-L148 HydrophobicContact CZ2-CB 4.26Å; Y132-L148 HydrophobicContact CE1-CD1 4.19Å; Y132-L148 HydrophobicContact CE2-CD1 3.71Å; Y132-L148 WeakPolarHBondContact OH-CD1 3.41Å; T144-L148 HydrophobicContact CG2-CD1 4.28Å; T144-L148 WeakPolarHBondContact O-CD1 3.43Å; T144-L148 WeakPolarHBondContact O-CG 3.38Å; T144-L148 PolarHBondContact O-N 2.95Å; C145-L148 CarbonylContact O-C 3.41Å; C145-L148 WeakPolarHBondContact O-CA 3.37Å; C145-L148 WeakPolarHBondContact O-CB 3.39Å; C145-L148 PolarHBondContact O-N 3.4Å; Q146-L148 PolarHBondContact O-N 2.69Å; Q146-L148 VanDerWaalsContact O-N 3.14Å; L148-G150 VanDerWaalsContact C-N 3.27Å; L148-G150 PolarHBondContact O-N 3.03Å; L148-R267 PolarHBondContact O-NH1 3.33Å |
| 149 | N | 76.4 | Confident | 84.9 | Confident | 103 Ų | 103 | 53.8 Ų | 53.8 | 55% | 0.551 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.3 | 38.9 | -174.8 | -62.4 | -10.1 | 0 | 0 | 0 | 112.6 | Q146 R147 R267 | Q146-N149 PolarHBondContact O-N 3.03Å; R147-N149 VanDerWaalsContact C-N 3.33Å; N149-R267 WeakPolarHBondContact O-CD 3.38Å; N149-R267 WeakPolarHBondContact O-CG 3.02Å |
| 150 | G | 82.8 | Confident | 84.6 | Confident | 18 Ų | 18 | 48.1 Ų | 48.1 | 19% | 0.186 | 25% | 0.249 | C | C | . | . | trans | -142.4 | -168.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | C145 Q146 L148 K266 | C145-G150 CarbonylContact C-O 3.51Å; C145-G150 VanDerWaalsContact C-O 3.3Å; C145-G150 CarbonylContact O-C 3.49Å; C145-G150 PolarHBondContact O-N 3.25Å; C145-G150 VanDerWaalsContact O-O 3.09Å; Q146-G150 VanDerWaalsContact CA-O 3.23Å; Q146-G150 WeakPolarHBondContact CA-O 3.46Å; Q146-G150 PolarHBondContact N-O 3.05Å; L148-G150 VanDerWaalsContact C-N 3.27Å; L148-G150 PolarHBondContact O-N 3.03Å; G150-K266 CarbonylContact C-O 3.39Å; G150-K266 WeakPolarHBondContact CA-O 3.31Å | ||
| 151 | S | 86.7 | Confident | 84.2 | Confident | 40 Ų | 40 | 44.9 Ų | 44.9 | 28% | 0.28 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 170.9 | 175 | 65.8 | 0 | 0 | 0 | 0 | 110.1 | A153 C265 K266 | S151-A153 PolarHBondContact O-N 3.16Å; S151-C265 WeakPolarHBondContact O-CA 3.43Å; S151-K266 PolarHBondContact N-O 2.79Å; S151-K266 PolarHBondContact O-N 2.86Å; S151-K266 VanDerWaalsContact O-O 3.05Å |
| 152 | L | 89.3 | Confident | 83.7 | Confident | 2 Ų | 2 | 50.5 Ų | 50.5 | 1% | 0.01 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.9 | 142.5 | 162.1 | -79.9 | 168.1 | 0 | 0 | 0 | 109.2 | Y138 A141 A142 T154 W185 F263 | Y138-L152 HydrophobicContact CD1-CD1 4.45Å; Y138-L152 HydrophobicContact CD2-CD1 4.08Å; Y138-L152 HydrophobicContact CE1-CD1 3.97Å; Y138-L152 HydrophobicContact CE2-CD1 3.59Å; Y138-L152 HydrophobicContact CG-CD1 4.5Å; A141-L152 HydrophobicContact CB-CD2 4.33Å; A142-L152 HydrophobicContact CB-CD1 3.66Å; A142-L152 HydrophobicContact CB-CG 4.15Å; L152-T154 PolarHBondContact O-N 3.21Å; L152-W185 HydrophobicContact CD2-CB 4.33Å; L152-F263 HydrophobicContact CD2-CB 4.16Å |
| 153 | A | 89.1 | Confident | 83.4 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 26% | 0.261 | C | S | . | . | trans | -67.5 | 126.9 | -170.3 | 0 | 0 | 0 | 0 | 0 | 113 | Y129 S151 G187 L264 K266 | Y129-A153 HydrophobicContact CD1-CB 4.3Å; Y129-A153 HydrophobicContact CE1-CB 4.04Å; S151-A153 PolarHBondContact O-N 3.16Å; A153-G187 PolarHBondContact O-N 3.18Å; A153-L264 HydrophobicContact CB-CB 4.02Å; A153-L264 HydrophobicContact CB-CD2 3.46Å; A153-L264 VanDerWaalsContact CB-CD2 3.46Å; A153-L264 HydrophobicContact CB-CG 3.45Å; A153-L264 VanDerWaalsContact CB-CG 3.45Å; A153-L264 WeakPolarHBondContact CB-O 3.33Å; A153-L264 PolarHBondContact N-O 3.46Å; A153-K266 HydrophobicContact CB-CB 3.81Å | ||
| 154 | T | 87.2 | Confident | 83.1 | Confident | 25 Ų | 25 | 47.5 Ų | 47.5 | 15% | 0.153 | 24% | 0.237 | C | C | . | . | trans | -119 | 145.4 | 170.6 | 56.5 | 0 | 0 | 0 | 0 | 108.7 | L152 V205 K266 | L152-T154 PolarHBondContact O-N 3.21Å; T154-V205 HydrophobicContact CG2-CG1 3.74Å; T154-K266 WeakPolarHBondContact O-CD 3.29Å; T154-K266 PolarHBondContact O-NZ 3.05Å | ||
| 155 | F | 84.5 | Confident | 82.6 | Confident | 1 Ų | 1 | 47.3 Ų | 47.3 | 0% | 0.004 | 24% | 0.235 | C | C | . | . | trans | -107.9 | 133.8 | -179 | -50 | -72.6 | 0 | 0 | 0 | 108.8 | Y129 E160 L161 V164 V186 Y188 V213 F214 L236 W252 L264 | Y129-F155 HydrophobicContact CE1-CE1 4.24Å; F155-E160 WeakPolarHBondContact CA-OE2 3.4Å; F155-E160 HydrophobicContact CD1-CG 4.34Å; F155-L161 HydrophobicContact CD1-CB 4.35Å; F155-L161 HydrophobicContact CD1-CD1 4.38Å; F155-L161 HydrophobicContact CD2-CD1 3.98Å; F155-L161 HydrophobicContact CE1-CD1 4.22Å; F155-L161 HydrophobicContact CE2-CD1 3.8Å; F155-L161 HydrophobicContact CG-CB 4.28Å; F155-L161 HydrophobicContact CG-CD1 4.26Å; F155-L161 HydrophobicContact CZ-CD1 3.92Å; F155-V164 HydrophobicContact CE1-CB 4.07Å; F155-V164 HydrophobicContact CE1-CG1 4.11Å; F155-V164 HydrophobicContact CE1-CG2 3.84Å; F155-V164 HydrophobicContact CZ-CG1 4.18Å; F155-V186 HydrophobicContact CE2-CG1 4.25Å; F155-V186 HydrophobicContact CZ-CG1 4.39Å; F155-Y188 AromaticContact CD2-CE2 3.95Å; F155-Y188 HydrophobicContact CD2-CE2 3.95Å; F155-Y188 HydrophobicContact CE2-CE2 4.31Å; F155-Y188 PolarHBondContact N-OH 2.82Å; F155-Y188 PolarHBondContact O-OH 2.88Å; F155-V213 WeakPolarHBondContact O-CG1 2.92Å; F155-F214 HydrophobicContact CB-CB 4.46Å; F155-F214 WeakPolarHBondContact O-CA 3.49Å; F155-F214 VanDerWaalsContact O-CB 3.23Å; F155-F214 WeakPolarHBondContact O-CB 3.26Å; F155-F214 PolarHBondContact O-N 2.04Å; F155-L236 HydrophobicContact CE2-CD2 4.31Å; F155-L236 HydrophobicContact CZ-CD2 4.18Å; F155-W252 AromaticContact CD2-CH2 3.91Å; F155-W252 HydrophobicContact CD2-CH2 3.91Å; F155-W252 AromaticContact CE2-CH2 3.82Å; F155-W252 HydrophobicContact CE2-CH2 3.82Å; F155-L264 HydrophobicContact CE1-CD2 4.27Å; F155-L264 HydrophobicContact CZ-CD2 3.91Å | ||
| 156 | S | 74.9 | Confident | 81.9 | Confident | 46 Ų | 46 | 50.3 Ų | 50.3 | 32% | 0.322 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -96.9 | -31 | 177 | 56.3 | 0 | 0 | 0 | 0 | 111.4 | T125 E160 | T125-S156 WeakPolarHBondContact CG2-OG 3.11Å; S156-E160 PolarHBondContact N-OE2 2.79Å; S156-E160 PolarHBondContact OG-OE2 2.81Å |
| 157 | T | 76.2 | Confident | 81.2 | Confident | 50 Ų | 50 | 48.7 Ų | 48.7 | 31% | 0.307 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -132.6 | 156.4 | -179.6 | 62 | 0 | 0 | 0 | 0 | 111.4 | Q159 E160 L161 | T157-Q159 PolarHBondContact O-N 3.39Å; T157-E160 WeakPolarHBondContact O-CB 3.33Å; T157-E160 PolarHBondContact O-N 3.11Å; T157-E160 WeakPolarHBondContact OG1-CB 3.26Å; T157-E160 PolarHBondContact OG1-N 2.88Å; T157-L161 PolarHBondContact O-N 2.87Å |
| 158 | D | 78.2 | Confident | 80.4 | Confident | 70 Ų | 70 | 44.6 Ų | 44.6 | 37% | 0.374 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -65.8 | -29.6 | 174.6 | 68.4 | -56.3 | 0 | 0 | 0 | 111.9 | L161 R162 | D158-L161 PolarHBondContact O-N 2.89Å; D158-R162 WeakPolarHBondContact O-CG 3.29Å; D158-R162 PolarHBondContact O-N 3.01Å; D158-R162 IonicContact OD2-CZ 3.95Å; D158-R162 IonicContact OD2-NH1 3.91Å; D158-R162 PolarHBondContact OD2-NH1 2.86Å; D158-R162 IonicContact OD2-NH2 2.9Å; D158-R162 PolarHBondContact OD2-NH2 3.12Å |
| 159 | Q | 79.4 | Confident | 79.7 | Confident | 119 Ų | 119 | 43.4 Ų | 43.4 | 56% | 0.556 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -65.5 | -39.4 | 174.8 | -61.3 | -178.3 | -2.5 | 0 | 0 | 112.3 | Y122 T157 L161 R162 F163 | Y122-Q159 WeakPolarHBondContact OH-CB 3.4Å; T157-Q159 PolarHBondContact O-N 3.39Å; Q159-L161 VanDerWaalsContact C-N 3.34Å; Q159-R162 PolarHBondContact O-N 3.5Å; Q159-F163 PolarHBondContact O-N 2.89Å |
| 160 | E | 82 | Confident | 78.6 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65 | -38.5 | 176 | -170.8 | 177.4 | -140.7 | 0 | 0 | 111.4 | Y122 T125 Y129 F155 S156 T157 F163 V164 K266 | Y122-E160 HydrophobicContact CD1-CB 4.24Å; Y122-E160 HydrophobicContact CD1-CG 3.97Å; Y122-E160 HydrophobicContact CE1-CB 3.85Å; Y122-E160 HydrophobicContact CE1-CG 4.09Å; T125-E160 PolarHBondContact OG1-OE1 3.05Å; Y129-E160 HydrophobicContact CE2-CG 4.1Å; Y129-E160 WeakPolarHBondContact OH-CG 3.34Å; Y129-E160 PolarHBondContact OH-OE1 2.8Å; F155-E160 WeakPolarHBondContact CA-OE2 3.4Å; F155-E160 HydrophobicContact CD1-CG 4.34Å; S156-E160 PolarHBondContact N-OE2 2.79Å; S156-E160 PolarHBondContact OG-OE2 2.81Å; T157-E160 WeakPolarHBondContact O-CB 3.33Å; T157-E160 PolarHBondContact O-N 3.11Å; T157-E160 WeakPolarHBondContact OG1-CB 3.26Å; T157-E160 PolarHBondContact OG1-N 2.88Å; E160-F163 WeakPolarHBondContact O-CB 3.38Å; E160-F163 PolarHBondContact O-N 2.97Å; E160-V164 PolarHBondContact O-N 3.09Å; E160-K266 IonicContact OE1-NZ 2.95Å; E160-K266 PolarHBondContact OE1-NZ 3.04Å; E160-K266 IonicContact OE2-NZ 2.84Å; E160-K266 PolarHBondContact OE2-NZ 3.14Å |
| 161 | L | 83.6 | Confident | 77.1 | Confident | 7 Ų | 7 | 50 Ų | 50 | 4% | 0.037 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.9 | -46.7 | 171.7 | 179.2 | 62.4 | 0 | 0 | 0 | 111.4 | F155 T157 D158 Q159 F163 V164 L165 F214 L236 W252 | F155-L161 HydrophobicContact CD1-CB 4.35Å; F155-L161 HydrophobicContact CD1-CD1 4.38Å; F155-L161 HydrophobicContact CD2-CD1 3.98Å; F155-L161 HydrophobicContact CE1-CD1 4.22Å; F155-L161 HydrophobicContact CE2-CD1 3.8Å; F155-L161 HydrophobicContact CG-CB 4.28Å; F155-L161 HydrophobicContact CG-CD1 4.26Å; F155-L161 HydrophobicContact CZ-CD1 3.92Å; T157-L161 PolarHBondContact O-N 2.87Å; D158-L161 PolarHBondContact O-N 2.89Å; Q159-L161 VanDerWaalsContact C-N 3.34Å; L161-F163 VanDerWaalsContact C-N 3.28Å; L161-F163 PolarHBondContact O-N 3.49Å; L161-V164 PolarHBondContact O-N 2.89Å; L161-V164 VanDerWaalsContact O-N 3.12Å; L161-L165 HydrophobicContact CD1-CD1 4.44Å; L161-L165 HydrophobicContact CD1-CG 4.38Å; L161-L165 HydrophobicContact CG-CD1 4.12Å; L161-L165 HydrophobicContact CG-CG 4.48Å; L161-L165 WeakPolarHBondContact O-CG 3.18Å; L161-L165 PolarHBondContact O-N 3.06Å; L161-F214 HydrophobicContact CD2-CE1 4.28Å; L161-L236 HydrophobicContact CD1-CD2 4.01Å; L161-W252 HydrophobicContact CD1-CZ2 4.11Å; L161-W252 HydrophobicContact CD2-CZ2 4.01Å |
| 162 | R | 81.2 | Confident | 75 | Confident | 119 Ų | 119 | 53.4 Ų | 53.4 | 45% | 0.449 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60.3 | -36.9 | 177.1 | -71.9 | -165.1 | -162 | 90.2 | 10.2 | 112.6 | D158 Q159 L165 A166 D248 | D158-R162 WeakPolarHBondContact O-CG 3.29Å; D158-R162 PolarHBondContact O-N 3.01Å; D158-R162 IonicContact OD2-CZ 3.95Å; D158-R162 IonicContact OD2-NH1 3.91Å; D158-R162 PolarHBondContact OD2-NH1 2.86Å; D158-R162 IonicContact OD2-NH2 2.9Å; D158-R162 PolarHBondContact OD2-NH2 3.12Å; Q159-R162 PolarHBondContact O-N 3.5Å; R162-L165 PolarHBondContact O-N 2.78Å; R162-A166 VanDerWaalsContact O-CB 3.3Å; R162-A166 WeakPolarHBondContact O-CB 3.41Å; R162-A166 PolarHBondContact O-N 2.9Å; R162-D248 IonicContact NE-OD1 3.69Å |
| 163 | F | 82.6 | Confident | 73 | Confident | 46 Ų | 46 | 61.6 Ų | 61.6 | 20% | 0.202 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -59.4 | -47.1 | 173.7 | 169.3 | -100.3 | 0 | 0 | 0 | 111.7 | H120 H121 Y122 Y129 Q159 E160 L161 L165 A166 Q167 | H120-F163 HydrophobicContact CB-CE1 4.29Å; H120-F163 HydrophobicContact CB-CZ 4.02Å; H121-F163 WeakPolarHBondContact O-CZ 3.44Å; Y122-F163 HydrophobicContact CD2-CB 3.55Å; Y122-F163 AromaticContact CD2-CD1 3.8Å; Y122-F163 HydrophobicContact CD2-CD1 3.8Å; Y122-F163 AromaticContact CD2-CD2 3.71Å; Y122-F163 HydrophobicContact CD2-CD2 3.71Å; Y122-F163 HydrophobicContact CD2-CE1 4.41Å; Y122-F163 HydrophobicContact CD2-CE2 4.32Å; Y122-F163 AromaticContact CD2-CG 3.39Å; Y122-F163 HydrophobicContact CD2-CG 3.39Å; Y122-F163 HydrophobicContact CE2-CB 3.73Å; Y122-F163 HydrophobicContact CE2-CD2 4.43Å; Y122-F163 HydrophobicContact CE2-CG 4.09Å; Y122-F163 HydrophobicContact CG-CB 4.45Å; Y122-F163 HydrophobicContact CG-CD1 4.07Å; Y122-F163 HydrophobicContact CG-CE1 4.49Å; Y122-F163 HydrophobicContact CG-CG 4.14Å; Y129-F163 HydrophobicContact CD2-CD1 4.38Å; Y129-F163 HydrophobicContact CD2-CE1 4.06Å; Q159-F163 PolarHBondContact O-N 2.89Å; E160-F163 WeakPolarHBondContact O-CB 3.38Å; E160-F163 PolarHBondContact O-N 2.97Å; L161-F163 VanDerWaalsContact C-N 3.28Å; L161-F163 PolarHBondContact O-N 3.49Å; F163-L165 VanDerWaalsContact C-N 3.31Å; F163-L165 PolarHBondContact O-N 2.87Å; F163-A166 PolarHBondContact O-N 3Å; F163-Q167 PolarHBondContact O-N 3.03Å |
| 164 | V | 82.4 | Confident | 70.8 | Confident | 0 Ų | 0 | 72.7 Ų | 72.7 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -64.7 | -36 | 178.3 | 163.3 | 0 | 0 | 0 | 0 | 112 | Y129 F155 E160 L161 W169 L264 | Y129-V164 HydrophobicContact CD1-CG2 3.92Å; Y129-V164 HydrophobicContact CD2-CG2 4.3Å; Y129-V164 HydrophobicContact CE1-CG2 4.03Å; Y129-V164 HydrophobicContact CE2-CG2 4.42Å; Y129-V164 HydrophobicContact CG-CG2 4.03Å; F155-V164 HydrophobicContact CE1-CB 4.07Å; F155-V164 HydrophobicContact CE1-CG1 4.11Å; F155-V164 HydrophobicContact CE1-CG2 3.84Å; F155-V164 HydrophobicContact CZ-CG1 4.18Å; E160-V164 PolarHBondContact O-N 3.09Å; L161-V164 PolarHBondContact O-N 2.89Å; L161-V164 VanDerWaalsContact O-N 3.12Å; V164-W169 HydrophobicContact CB-CZ2 3.93Å; V164-W169 HydrophobicContact CG1-CH2 4.19Å; V164-W169 HydrophobicContact CG1-CZ2 3.5Å; V164-W169 VanDerWaalsContact CG1-CZ2 3.5Å; V164-W169 HydrophobicContact CG2-CH2 4.21Å; V164-W169 HydrophobicContact CG2-CZ2 4.07Å; V164-W169 VanDerWaalsContact O-CZ2 3.29Å; V164-W169 WeakPolarHBondContact O-CZ2 3.39Å; V164-W169 PolarHBondContact O-NE1 2.98Å; V164-L264 HydrophobicContact CG1-CD2 3.56Å; V164-L264 HydrophobicContact CG2-CD2 4.4Å |
| 165 | L | 79.1 | Confident | 68.3 | Low | 25 Ų | 25 | 77 Ų | 77 | 13% | 0.131 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -71.7 | -33.3 | 176.2 | -65.1 | 175 | 0 | 0 | 0 | 113.1 | L161 R162 F163 Q167 L236 C238 H250 | L161-L165 HydrophobicContact CD1-CD1 4.44Å; L161-L165 HydrophobicContact CD1-CG 4.38Å; L161-L165 HydrophobicContact CG-CD1 4.12Å; L161-L165 HydrophobicContact CG-CG 4.48Å; L161-L165 WeakPolarHBondContact O-CG 3.18Å; L161-L165 PolarHBondContact O-N 3.06Å; R162-L165 PolarHBondContact O-N 2.78Å; F163-L165 VanDerWaalsContact C-N 3.31Å; F163-L165 PolarHBondContact O-N 2.87Å; L165-Q167 VanDerWaalsContact C-N 3.32Å; L165-L236 HydrophobicContact CD2-CD2 4.41Å; L165-C238 HydrophobicContact CD2-CB 4.15Å; L165-C238 VanDerWaalsContact CD2-SG 3.51Å; L165-H250 HydrophobicContact CD1-CB 3.85Å; L165-H250 HydrophobicContact CD2-CB 3.73Å; L165-H250 HydrophobicContact CG-CB 4.47Å |
| 166 | A | 71.4 | Confident | 66.2 | Low | 63 Ų | 63 | 87.5 Ų | 87.5 | 52% | 0.521 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -75.9 | -20.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | R162 F163 | R162-A166 VanDerWaalsContact O-CB 3.3Å; R162-A166 WeakPolarHBondContact O-CB 3.41Å; R162-A166 PolarHBondContact O-N 2.9Å; F163-A166 PolarHBondContact O-N 3Å |
| 167 | Q | 71.2 | Confident | 64.3 | Low | 56 Ų | 56 | 87.8 Ų | 87.8 | 26% | 0.262 | 45% | 0.448 | S | S | . | . | S | Bend | trans | -77.4 | 134.7 | -176.3 | -167.6 | 58.6 | 47.9 | 0 | 0 | 111.9 | H120 F163 L165 W169 | H120-Q167 VanDerWaalsContact CE1-CD 3.45Å; H120-Q167 PolarHBondContact CE1-NE2 3.01Å; H120-Q167 VanDerWaalsContact ND1-CD 3.26Å; H120-Q167 PolarHBondContact ND1-NE2 3.34Å; F163-Q167 PolarHBondContact O-N 3.03Å; L165-Q167 VanDerWaalsContact C-N 3.32Å; Q167-W169 HydrophobicContact CB-CZ2 4.05Å; Q167-W169 HydrophobicContact CG-CD2 4.49Å; Q167-W169 HydrophobicContact CG-CZ2 4.46Å; Q167-W169 PolarHBondContact O-N 3Å; Q167-W169 PolarHBondContact O-NE1 2.98Å; Q167-W169 VanDerWaalsContact O-NE1 3.07Å |
| 168 | E | 68.3 | Low | 62.5 | Low | 96 Ų | 96 | 97 Ų | 97 | 45% | 0.449 | 48% | 0.478 | S | S | . | . | trans | -83.4 | 110.1 | 168.5 | -74.5 | -179.9 | -163.8 | 0 | 0 | 109.7 | D170 Q171 H240 | E168-D170 VanDerWaalsContact C-N 3.27Å; E168-D170 PolarHBondContact O-N 2.97Å; E168-Q171 PolarHBondContact OE2-NE2 3.03Å; E168-H240 IonicContact OE1-CE1 2.84Å | ||
| 169 | W | 66.6 | Low | 60.8 | Low | 25 Ų | 25 | 102.6 Ų | 102.6 | 10% | 0.095 | 50% | 0.498 | C | S | . | . | trans | -85.7 | 64 | -175.9 | -54.6 | 85.6 | 0 | 0 | 0 | 111.8 | V131 V164 Q167 R182 L264 | V131-W169 HydrophobicContact CB-CB 4.1Å; V131-W169 HydrophobicContact CB-CD2 3.92Å; V131-W169 HydrophobicContact CB-CE3 3.42Å; V131-W169 VanDerWaalsContact CB-CE3 3.42Å; V131-W169 HydrophobicContact CB-CG 4.24Å; V131-W169 HydrophobicContact CB-CZ3 4.11Å; V131-W169 HydrophobicContact CG1-CB 4.36Å; V131-W169 HydrophobicContact CG2-CB 4.19Å; V131-W169 HydrophobicContact CG2-CD2 3.31Å; V131-W169 HydrophobicContact CG2-CE3 3.07Å; V131-W169 HydrophobicContact CG2-CG 3.83Å; V131-W169 HydrophobicContact CG2-CH2 4.23Å; V131-W169 HydrophobicContact CG2-CZ2 4.45Å; V131-W169 HydrophobicContact CG2-CZ3 3.55Å; V164-W169 HydrophobicContact CB-CZ2 3.93Å; V164-W169 HydrophobicContact CG1-CH2 4.19Å; V164-W169 HydrophobicContact CG1-CZ2 3.5Å; V164-W169 VanDerWaalsContact CG1-CZ2 3.5Å; V164-W169 HydrophobicContact CG2-CH2 4.21Å; V164-W169 HydrophobicContact CG2-CZ2 4.07Å; V164-W169 VanDerWaalsContact O-CZ2 3.29Å; V164-W169 WeakPolarHBondContact O-CZ2 3.39Å; V164-W169 PolarHBondContact O-NE1 2.98Å; Q167-W169 HydrophobicContact CB-CZ2 4.05Å; Q167-W169 HydrophobicContact CG-CD2 4.49Å; Q167-W169 HydrophobicContact CG-CZ2 4.46Å; Q167-W169 PolarHBondContact O-N 3Å; Q167-W169 PolarHBondContact O-NE1 2.98Å; Q167-W169 VanDerWaalsContact O-NE1 3.07Å; W169-R182 PolarHBondContact O-NH1 2.8Å; W169-L264 HydrophobicContact CE3-CD1 4.25Å; W169-L264 HydrophobicContact CH2-CD1 3.22Å; W169-L264 HydrophobicContact CZ2-CD1 3.98Å; W169-L264 HydrophobicContact CZ3-CD1 3.38Å | ||
| 170 | D | 53.9 | Low | 59.2 | Low | 117 Ų | 117 | 101.2 Ų | 101.2 | 63% | 0.626 | 50% | 0.495 | S | S | * | . | trans | 82.6 | 123.3 | -177.6 | -72.8 | -27.8 | 0 | 0 | 0 | 118 | E168 | E168-D170 VanDerWaalsContact C-N 3.27Å; E168-D170 PolarHBondContact O-N 2.97Å | ||
| 171 | Q | 50.8 | Low | 58.1 | Low | 142 Ų | 142 | 107.2 Ų | 107.2 | 66% | 0.664 | 52% | 0.523 | S | S | * | . | trans | -89.1 | 130.4 | 156 | -68.8 | -176.4 | 11.6 | 0 | 0 | 109.5 | E168 | E168-Q171 PolarHBondContact OE2-NE2 3.03Š| ||
| 172 | P | 44.1 | Very low | 57.5 | Low | 112 Ų | 112 | 112.4 Ų | 112.4 | 73% | 0.727 | 54% | 0.542 | S | S | * | . | trans | -115.9 | 122.1 | 130.2 | 29 | -20.2 | 0 | 0 | 0 | 108.3 | R174 | P172-R174 PolarHBondContact O-N 2.8Š| ||
| 173 | E | 47.4 | Very low | 57.7 | Low | 175 Ų | 175 | 109.6 Ų | 109.6 | 82% | 0.818 | 53% | 0.533 | S | S | * | . | trans | -49.3 | 100.4 | 164.3 | -70 | 179.3 | 152.9 | 0 | 0 | 109.6 | ||||
| 174 | R | 42.5 | Very low | 58 | Low | 233 Ų | 233 | 107.7 Ų | 107.7 | 88% | 0.879 | 53% | 0.525 | S | S | * | . | trans | 148.1 | 97.9 | 151.2 | -84.9 | 163.6 | 169.5 | 170.9 | -0.9 | 110.4 | P172 | P172-R174 PolarHBondContact O-N 2.8Š| ||
| 175 | S | 34.9 | Very low | 58.5 | Low | 114 Ų | 114 | 107.7 Ų | 107.7 | 80% | 0.797 | 53% | 0.525 | S | S | * | . | 167 | 119.7 | 105.7 | 42.1 | 0 | 0 | 0 | 0 | 107.9 | G177 | S175-G177 PolarHBondContact O-N 2.83Š| |||
| 176 | F | 39.8 | Very low | 59 | Low | 222 Ų | 222 | 106.5 Ų | 106.5 | 97% | 0.974 | 52% | 0.519 | S | S | * | . | trans | -58 | 102.7 | 168 | -119.4 | -101.9 | 0 | 0 | 0 | 107.8 | ||||
| 177 | G | 34.1 | Very low | 59.9 | Low | 53 Ų | 53 | 103.6 Ų | 103.6 | 55% | 0.546 | 50% | 0.495 | S | S | . | . | trans | -170.6 | 66.1 | -174.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | S175 K179 | S175-G177 PolarHBondContact O-N 2.83Å; G177-K179 PolarHBondContact O-N 3.43Å; G177-K179 VanDerWaalsContact O-N 3.16Å | ||
| 178 | W | 39.6 | Very low | 60.7 | Low | 244 Ų | 244 | 101 Ų | 101 | 92% | 0.924 | 48% | 0.483 | S | S | * | . | trans | 13.8 | 87.6 | 158.8 | -68.8 | 63.4 | 0 | 0 | 0 | 115.5 | ||||
| 179 | K | 41.6 | Very low | 61.6 | Low | 187 Ų | 187 | 98 Ų | 98 | 81% | 0.813 | 47% | 0.468 | S | S | * | . | trans | -144.7 | 51.1 | 158 | -79.5 | -166.7 | 177.4 | 179.6 | 0 | 110.1 | G177 Q181 | G177-K179 PolarHBondContact O-N 3.43Å; G177-K179 VanDerWaalsContact O-N 3.16Å; K179-Q181 PolarHBondContact O-N 2.05Å | ||
| 180 | D | 46.9 | Very low | 62.5 | Low | 90 Ų | 90 | 97.4 Ų | 97.4 | 48% | 0.481 | 47% | 0.466 | S | S | . | . | trans | -85.4 | 49.2 | -179 | -67.1 | -30.2 | 0 | 0 | 0 | 112.6 | ||||
| 181 | Q | 57.8 | Low | 63.9 | Low | 126 Ų | 126 | 93 Ų | 93 | 59% | 0.589 | 44% | 0.444 | S | S | * | . | trans | -139.3 | 84.5 | 168.7 | -66.8 | -164.2 | -5.4 | 0 | 0 | 108.6 | K179 Q237 F239 | K179-Q181 PolarHBondContact O-N 2.05Å; Q181-Q237 VanDerWaalsContact CG-NE2 3.28Å; Q181-F239 HydrophobicContact CG-CE1 4.12Å | ||
| 182 | R | 71.9 | Confident | 65.3 | Low | 115 Ų | 115 | 87.2 Ų | 87.2 | 43% | 0.434 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 112.9 | 176.5 | -62 | -174.6 | -171.5 | -166.5 | 4.8 | 108.2 | W169 Q237 C238 | W169-R182 PolarHBondContact O-NH1 2.8Å; R182-Q237 WeakPolarHBondContact O-CA 3.11Å; R182-C238 PolarHBondContact O-N 3.2Å; R182-C238 VanDerWaalsContact O-N 3.13Å |
| 183 | K | 84.6 | Confident | 66.6 | Low | 61 Ų | 61 | 86.4 Ų | 86.4 | 27% | 0.265 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 127.1 | 171.2 | -61.1 | -167.9 | -178 | -176.4 | 0 | 108.8 | Q235 L236 Q237 | K183-Q235 HydrophobicContact CB-CB 4.39Å; K183-L236 WeakPolarHBondContact CA-O 2.91Å; K183-Q237 HydrophobicContact CG-CB 4.21Å; K183-Q237 HydrophobicContact CG-CG 4.36Å |
| 184 | L | 89.8 | Confident | 67.2 | Low | 6 Ų | 6 | 79.6 Ų | 79.6 | 3% | 0.031 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 127.2 | -177.5 | -61.5 | 172.9 | 0 | 0 | 0 | 109.9 | V131 V186 Q235 L236 S262 | V131-L184 HydrophobicContact CG1-CD2 3.86Å; V131-L184 HydrophobicContact CG2-CD1 3.89Å; V131-L184 HydrophobicContact CG2-CD2 4.03Å; L184-V186 PolarHBondContact O-N 2.84Å; L184-Q235 CarbonylContact O-C 3.59Å; L184-Q235 WeakPolarHBondContact O-CA 3.12Å; L184-L236 PolarHBondContact N-O 3.24Å; L184-L236 PolarHBondContact O-N 3.4Å; L184-S262 CarbonylContact C-O 3.4Å; L184-S262 VanDerWaalsContact CA-O 3.26Å; L184-S262 WeakPolarHBondContact CA-O 3.28Å |
| 185 | W | 91.9 | Very high | 67.9 | Low | 0 Ų | 0 | 80 Ų | 80 | 0% | 0 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 131.9 | 166 | -68.8 | 128.9 | 0 | 0 | 0 | 110.4 | E136 Y138 L152 C233 Q235 E255 S256 E259 S261 S262 F263 L264 | E136-W185 PolarHBondContact O-NE1 3.28Å; Y138-W185 HydrophobicContact CD2-CB 4.37Å; Y138-W185 AromaticContact CD2-CD2 3.99Å; Y138-W185 HydrophobicContact CD2-CD2 3.99Å; Y138-W185 AromaticContact CD2-CE3 3.69Å; Y138-W185 HydrophobicContact CD2-CE3 3.69Å; Y138-W185 HydrophobicContact CD2-CG 4.31Å; Y138-W185 HydrophobicContact CD2-CZ3 4.28Å; Y138-W185 HydrophobicContact CE2-CE3 4.39Å; L152-W185 HydrophobicContact CD2-CB 4.33Å; W185-C233 HydrophobicContact CE3-CB 4.01Å; W185-C233 HydrophobicContact CH2-CB 4.06Å; W185-C233 HydrophobicContact CZ3-CB 3.4Å; W185-C233 VanDerWaalsContact CZ3-CB 3.4Å; W185-Q235 HydrophobicContact CD2-CG 4.03Å; W185-Q235 HydrophobicContact CE3-CG 3.4Å; W185-Q235 VanDerWaalsContact CE3-CG 3.4Å; W185-Q235 HydrophobicContact CH2-CG 3.76Å; W185-Q235 HydrophobicContact CZ2-CG 4.34Å; W185-Q235 HydrophobicContact CZ3-CG 3.25Å; W185-E255 HydrophobicContact CH2-CB 3.99Å; W185-E255 HydrophobicContact CH2-CG 4.17Å; W185-E255 HydrophobicContact CZ3-CB 4.35Å; W185-S256 WeakPolarHBondContact CH2-O 3.12Å; W185-E259 HydrophobicContact CH2-CB 4.5Å; W185-E259 HydrophobicContact CZ2-CB 4.09Å; W185-E259 VanDerWaalsContact CZ2-O 3.29Å; W185-E259 WeakPolarHBondContact CZ2-O 3.45Å; W185-S261 VanDerWaalsContact CD2-OG 3.3Å; W185-S261 PolarHBondContact NE1-OG 3.11Å; W185-S262 PolarHBondContact N-O 3.4Å; W185-F263 HydrophobicContact CB-CB 3.78Å; W185-F263 HydrophobicContact CG-CB 4.48Å; W185-L264 PolarHBondContact O-N 2.04Å |
| 186 | V | 90.9 | Very high | 68.8 | Low | 0 Ų | 0 | 81.4 Ų | 81.4 | 0% | 0 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 161.3 | 178.8 | -71 | 0 | 0 | 0 | 0 | 110.3 | Y138 F155 L184 Y188 A234 L236 W252 L264 | Y138-V186 VanDerWaalsContact CE2-O 3.29Å; Y138-V186 WeakPolarHBondContact CE2-O 3.18Å; Y138-V186 PolarHBondContact OH-O 2.64Å; F155-V186 HydrophobicContact CE2-CG1 4.25Å; F155-V186 HydrophobicContact CZ-CG1 4.39Å; L184-V186 PolarHBondContact O-N 2.84Å; V186-Y188 HydrophobicContact CB-CD2 4.17Å; V186-Y188 HydrophobicContact CG2-CD2 3.95Å; V186-Y188 PolarHBondContact O-N 2.72Å; V186-A234 HydrophobicContact CG2-CB 3.65Å; V186-A234 WeakPolarHBondContact CG2-O 3.02Å; V186-A234 PolarHBondContact N-O 3.12Å; V186-L236 HydrophobicContact CG1-CB 3.88Å; V186-L236 HydrophobicContact CG1-CD2 4.4Å; V186-L236 HydrophobicContact CG2-CB 4.21Å; V186-W252 HydrophobicContact CG2-CE3 4.44Å; V186-W252 HydrophobicContact CG2-CZ3 3.77Å; V186-L264 HydrophobicContact CG1-CD2 4.48Å |
| 187 | G | 89.2 | Confident | 69.4 | Low | 2 Ų | 2 | 83.2 Ų | 83.2 | 2% | 0.021 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 30.7 | -166.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | A153 A206 | A153-G187 PolarHBondContact O-N 3.18Å; G187-A206 PolarHBondContact O-N 2.88Å; G187-A206 VanDerWaalsContact O-N 3.12Å |
| 188 | Y | 88.2 | Confident | 70.4 | Confident | 0 Ų | 0 | 83.7 Ų | 83.7 | 0% | 0 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 146.3 | -178.7 | -54.8 | -91.3 | 0 | 0 | 0 | 111.3 | F155 V186 E204 V205 V213 F214 P216 A234 W252 | F155-Y188 AromaticContact CD2-CE2 3.95Å; F155-Y188 HydrophobicContact CD2-CE2 3.95Å; F155-Y188 HydrophobicContact CE2-CE2 4.31Å; F155-Y188 PolarHBondContact N-OH 2.82Å; F155-Y188 PolarHBondContact O-OH 2.88Å; V186-Y188 HydrophobicContact CB-CD2 4.17Å; V186-Y188 HydrophobicContact CG2-CD2 3.95Å; V186-Y188 PolarHBondContact O-N 2.72Å; Y188-E204 CarbonylContact C-O 3.51Å; Y188-E204 WeakPolarHBondContact CA-O 3.46Å; Y188-V205 HydrophobicContact CD1-CG2 4.46Å; Y188-V205 HydrophobicContact CE1-CG2 4.49Å; Y188-V213 HydrophobicContact CE1-CG1 3.64Å; Y188-V213 WeakPolarHBondContact OH-CG1 3.02Å; Y188-F214 WeakPolarHBondContact CE1-O 3.38Å; Y188-F214 VanDerWaalsContact CZ-O 3.28Å; Y188-F214 PolarHBondContact OH-O 2.89Å; Y188-P216 HydrophobicContact CD1-CG 4.2Å; Y188-P216 HydrophobicContact CG-CG 4.18Å; Y188-A234 WeakPolarHBondContact O-CB 3.3Å; Y188-A234 PolarHBondContact O-N 2.82Å; Y188-W252 HydrophobicContact CD2-CH2 4.44Å; Y188-W252 AromaticContact CD2-CZ3 3.97Å; Y188-W252 HydrophobicContact CD2-CZ3 3.97Å; Y188-W252 HydrophobicContact CE2-CH2 4.08Å; Y188-W252 HydrophobicContact CE2-CZ3 4.08Å |
| 189 | Q | 87.2 | Confident | 71.3 | Confident | 33 Ų | 33 | 77.1 Ų | 77.1 | 15% | 0.154 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 138.5 | 174.5 | 68.2 | -172.2 | 23.5 | 0 | 0 | 109.2 | V191 W203 E204 V231 F232 | Q189-V191 HydrophobicContact CG-CG2 4.25Å; Q189-W203 CarbonylContact O-C 3.3Å; Q189-W203 WeakPolarHBondContact O-CA 3.38Å; Q189-E204 HydrophobicContact CG-CB 3.72Å; Q189-E204 PolarHBondContact N-O 2.84Å; Q189-E204 PolarHBondContact NE2-OE2 2.97Å; Q189-E204 PolarHBondContact O-N 3.01Å; Q189-V231 HydrophobicContact CB-CG1 4.31Å; Q189-F232 CarbonylContact C-O 3.6Å; Q189-F232 VanDerWaalsContact CA-O 3.32Å; Q189-F232 WeakPolarHBondContact CA-O 2.95Å |
| 190 | Y | 85.1 | Confident | 72.5 | Confident | 13 Ų | 13 | 74.7 Ų | 74.7 | 5% | 0.051 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 113.5 | 176.2 | -168.4 | -102.1 | 0 | 0 | 0 | 108.9 | I192 G201 W203 P219 F221 V231 F232 | Y190-I192 HydrophobicContact CD1-CD1 4.42Å; Y190-I192 HydrophobicContact CD1-CG1 3.88Å; Y190-I192 HydrophobicContact CE1-CD1 4.29Å; Y190-I192 HydrophobicContact CE1-CG1 3.83Å; Y190-G201 WeakPolarHBondContact OH-CA 3.37Å; Y190-G201 PolarHBondContact OH-N 3.01Å; Y190-G201 PolarHBondContact OH-O 2.79Å; Y190-W203 AromaticContact CD2-CD2 3.69Å; Y190-W203 HydrophobicContact CD2-CD2 3.69Å; Y190-W203 AromaticContact CD2-CE2 3.78Å; Y190-W203 HydrophobicContact CD2-CE3 4.04Å; Y190-W203 HydrophobicContact CD2-CG 4.04Å; Y190-W203 HydrophobicContact CD2-CZ2 4.28Å; Y190-W203 HydrophobicContact CD2-CZ3 4.41Å; Y190-W203 HydrophobicContact CG-CD2 4.48Å; Y190-W203 HydrophobicContact CG-CE3 4.41Å; Y190-W203 HydrophobicContact CG-CZ3 4.47Å; Y190-P219 HydrophobicContact CD1-CG 4.13Å; Y190-P219 HydrophobicContact CD2-CG 3.68Å; Y190-P219 HydrophobicContact CE1-CG 4.05Å; Y190-P219 VanDerWaalsContact CE2-CD 3.5Å; Y190-P219 HydrophobicContact CE2-CG 3.6Å; Y190-P219 HydrophobicContact CG-CG 3.93Å; Y190-F221 HydrophobicContact CD1-CE1 4.26Å; Y190-F221 HydrophobicContact CD1-CZ 4.13Å; Y190-F221 HydrophobicContact CE1-CE1 4.26Å; Y190-F221 AromaticContact CE1-CZ 3.69Å; Y190-F221 HydrophobicContact CE1-CZ 3.69Å; Y190-V231 WeakPolarHBondContact O-CA 3.5Å; Y190-F232 PolarHBondContact N-O 3.37Å; Y190-F232 PolarHBondContact O-N 3.16Å |
| 191 | V | 83.5 | Confident | 73.6 | Confident | 26 Ų | 26 | 71.2 Ų | 71.2 | 16% | 0.158 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 124.2 | -179.6 | -176.1 | 0 | 0 | 0 | 0 | 109.1 | Q189 G201 R202 E204 V231 | Q189-V191 HydrophobicContact CG-CG2 4.25Å; V191-G201 CarbonylContact O-C 3.53Å; V191-G201 WeakPolarHBondContact O-CA 3.25Å; V191-R202 PolarHBondContact N-O 3.15Å; V191-R202 PolarHBondContact O-N 3.12Å; V191-E204 HydrophobicContact CG2-CG 4.17Å; V191-E204 WeakPolarHBondContact CG2-OE2 3.34Å; V191-V231 HydrophobicContact CG2-CG2 4.4Å |
| 192 | I | 79.6 | Confident | 74.6 | Confident | 19 Ų | 19 | 71.7 Ų | 71.7 | 10% | 0.097 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 120.5 | 179 | -54 | -170 | 0 | 0 | 0 | 108.9 | Y190 F221 M225 N230 F232 | Y190-I192 HydrophobicContact CD1-CD1 4.42Å; Y190-I192 HydrophobicContact CD1-CG1 3.88Å; Y190-I192 HydrophobicContact CE1-CD1 4.29Å; Y190-I192 HydrophobicContact CE1-CG1 3.83Å; I192-F221 HydrophobicContact CD1-CE1 4.32Å; I192-F221 HydrophobicContact CD1-CZ 4.47Å; I192-M225 HydrophobicContact CD1-CE 3.13Å; I192-N230 PolarHBondContact N-O 3.03Å; I192-F232 HydrophobicContact CD1-CD2 3.93Å; I192-F232 HydrophobicContact CD1-CE2 3.49Å; I192-F232 VanDerWaalsContact CD1-CE2 3.49Å; I192-F232 HydrophobicContact CG1-CD2 4.29Å; I192-F232 HydrophobicContact CG1-CE2 4.21Å |
| 193 | T | 71.3 | Confident | 75 | Confident | 96 Ų | 96 | 67.1 Ų | 67.1 | 59% | 0.589 | 32% | 0.321 | S | S | * | . | trans | -98.3 | -9.9 | -176.5 | 43.7 | 0 | 0 | 0 | 0 | 113.5 | E200 | T193-E200 PolarHBondContact N-O 3.48Å; T193-E200 PolarHBondContact OG1-O 2.02Å | ||
| 194 | G | 60 | Low | 74.8 | Confident | 32 Ų | 32 | 66.6 Ų | 66.6 | 33% | 0.33 | 32% | 0.32 | S | S | . | . | trans | -98.5 | 119.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 195 | R | 58.1 | Low | 74.2 | Confident | 240 Ų | 240 | 68 Ų | 68 | 91% | 0.906 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -88.5 | 0.8 | 175.3 | -163.8 | 168.7 | -175.8 | -170.8 | 3.4 | 115.1 | ||
| 196 | N | 53.2 | Low | 73 | Confident | 144 Ų | 144 | 69 Ų | 69 | 77% | 0.77 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -151.8 | 94.6 | -179.2 | -85.1 | -40.1 | 0 | 0 | 0 | 112.5 | S198 | N196-S198 PolarHBondContact O-N 2.78Š|
| 197 | R | 54 | Low | 71.6 | Confident | 261 Ų | 261 | 73 Ų | 73 | 99% | 0.985 | 36% | 0.355 | S | S | * | . | S | Bend | trans | 60 | -2.1 | 164.6 | -62.4 | -174.9 | 173.9 | -175 | -2.3 | 118.5 | ||
| 198 | S | 54.5 | Low | 69.6 | Low | 62 Ų | 62 | 83 Ų | 83 | 43% | 0.434 | 40% | 0.397 | S | S | . | . | trans | -100.1 | 108.2 | 160 | 175.3 | 0 | 0 | 0 | 0 | 107.9 | N196 E200 | N196-S198 PolarHBondContact O-N 2.78Å; S198-E200 PolarHBondContact O-N 2.89Å | ||
| 199 | L | 59.2 | Low | 67.8 | Low | 106 Ų | 106 | 85.5 Ų | 85.5 | 56% | 0.555 | 42% | 0.424 | S | S | * | . | trans | -77.4 | 53.6 | 174.1 | -68.8 | 171.3 | 0 | 0 | 0 | 110 | G201 M225 | L199-G201 PolarHBondContact O-N 2.92Å; L199-M225 HydrophobicContact CD1-SD 4.19Å; L199-M225 HydrophobicContact CD2-CE 3.73Å; L199-M225 HydrophobicContact CD2-SD 3.67Å | ||
| 200 | E | 64.9 | Low | 65.6 | Low | 136 Ų | 136 | 90.2 Ų | 90.2 | 64% | 0.636 | 46% | 0.46 | S | S | * | . | trans | -82.4 | 111 | 174.5 | -161.8 | 168.2 | -169.2 | 0 | 0 | 108 | T193 S198 | T193-E200 PolarHBondContact N-O 3.48Å; T193-E200 PolarHBondContact OG1-O 2.02Å; S198-E200 PolarHBondContact O-N 2.89Å | ||
| 201 | G | 70.7 | Confident | 63.8 | Low | 17 Ų | 17 | 93.6 Ų | 93.6 | 18% | 0.175 | 49% | 0.486 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 160.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110 | Y190 V191 L199 | Y190-G201 WeakPolarHBondContact OH-CA 3.37Å; Y190-G201 PolarHBondContact OH-N 3.01Å; Y190-G201 PolarHBondContact OH-O 2.79Å; V191-G201 CarbonylContact O-C 3.53Å; V191-G201 WeakPolarHBondContact O-CA 3.25Å; L199-G201 PolarHBondContact O-N 2.92Å |
| 202 | R | 78.9 | Confident | 62.5 | Low | 137 Ų | 137 | 101.3 Ų | 101.3 | 52% | 0.517 | 52% | 0.52 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 144.5 | 179.8 | 60.6 | -174.9 | -112.1 | -82.8 | -6 | 110.6 | V191 E204 | V191-R202 PolarHBondContact N-O 3.15Å; V191-R202 PolarHBondContact O-N 3.12Å; R202-E204 IonicContact CZ-OE1 2.63Å; R202-E204 IonicContact NH1-OE1 3.7Å; R202-E204 PolarHBondContact NH1-OE1 3.29Å; R202-E204 IonicContact NH2-OE1 3.13Å; R202-E204 PolarHBondContact NH2-OE1 3.47Å |
| 203 | W | 80.1 | Confident | 61.7 | Low | 18 Ų | 18 | 102.3 Ų | 102.3 | 7% | 0.068 | 53% | 0.527 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 130.9 | 167.7 | -68.5 | 111.1 | 0 | 0 | 0 | 109.8 | Q189 Y190 L215 P216 P217 P219 A234 | Q189-W203 CarbonylContact O-C 3.3Å; Q189-W203 WeakPolarHBondContact O-CA 3.38Å; Y190-W203 AromaticContact CD2-CD2 3.69Å; Y190-W203 HydrophobicContact CD2-CD2 3.69Å; Y190-W203 AromaticContact CD2-CE2 3.78Å; Y190-W203 HydrophobicContact CD2-CE3 4.04Å; Y190-W203 HydrophobicContact CD2-CG 4.04Å; Y190-W203 HydrophobicContact CD2-CZ2 4.28Å; Y190-W203 HydrophobicContact CD2-CZ3 4.41Å; Y190-W203 HydrophobicContact CG-CD2 4.48Å; Y190-W203 HydrophobicContact CG-CE3 4.41Å; Y190-W203 HydrophobicContact CG-CZ3 4.47Å; W203-L215 HydrophobicContact CB-CD2 4.13Å; W203-P216 HydrophobicContact CB-CG 4.4Å; W203-P216 HydrophobicContact CD2-CG 3.64Å; W203-P216 HydrophobicContact CE3-CG 4.24Å; W203-P216 HydrophobicContact CG-CG 3.73Å; W203-P216 HydrophobicContact CZ2-CG 4.14Å; W203-P216 PolarHBondContact NE1-O 3.04Å; W203-P217 PolarHBondContact NE1-O 3.43Å; W203-P219 HydrophobicContact CH2-CB 4.01Å; W203-P219 HydrophobicContact CH2-CG 4.45Å; W203-P219 HydrophobicContact CZ2-CB 3.53Å; W203-P219 HydrophobicContact CZ2-CG 3.87Å; W203-A234 HydrophobicContact CE3-CB 4.38Å; W203-A234 HydrophobicContact CH2-CB 3.76Å; W203-A234 HydrophobicContact CZ3-CB 3.46Å; W203-A234 VanDerWaalsContact CZ3-CB 3.46Å |
| 204 | E | 79.8 | Confident | 61.5 | Low | 50 Ų | 50 | 101.2 Ų | 101.2 | 23% | 0.234 | 51% | 0.514 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 155.7 | 167.2 | -60.5 | -173.9 | 151.5 | 0 | 0 | 108.8 | Y188 Q189 V191 R202 | Y188-E204 CarbonylContact C-O 3.51Å; Y188-E204 WeakPolarHBondContact CA-O 3.46Å; Q189-E204 HydrophobicContact CG-CB 3.72Å; Q189-E204 PolarHBondContact N-O 2.84Å; Q189-E204 PolarHBondContact NE2-OE2 2.97Å; Q189-E204 PolarHBondContact O-N 3.01Å; V191-E204 HydrophobicContact CG2-CG 4.17Å; V191-E204 WeakPolarHBondContact CG2-OE2 3.34Å; R202-E204 IonicContact CZ-OE1 2.63Å; R202-E204 IonicContact NH1-OE1 3.7Å; R202-E204 PolarHBondContact NH1-OE1 3.29Å; R202-E204 IonicContact NH2-OE1 3.13Å; R202-E204 PolarHBondContact NH2-OE1 3.47Å |
| 205 | V | 78.9 | Confident | 62.2 | Low | 35 Ų | 35 | 104.3 Ų | 104.3 | 21% | 0.212 | 52% | 0.522 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 124.9 | 172 | -172.4 | 0 | 0 | 0 | 0 | 107.7 | T154 Y188 F207 V213 | T154-V205 HydrophobicContact CG2-CG1 3.74Å; Y188-V205 HydrophobicContact CD1-CG2 4.46Å; Y188-V205 HydrophobicContact CE1-CG2 4.49Å; V205-F207 WeakPolarHBondContact CG1-O 3.33Å; V205-F207 PolarHBondContact O-N 2.83Å; V205-V213 HydrophobicContact CG2-CB 3.9Å; V205-V213 HydrophobicContact CG2-CG1 4.04Å; V205-V213 HydrophobicContact CG2-CG2 3.92Å |
| 206 | A | 65.8 | Low | 63 | Low | 22 Ų | 22 | 93.2 Ų | 93.2 | 18% | 0.182 | 48% | 0.482 | C | S | . | . | S | Bend | trans | -65 | -25.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113 | Y138 G187 | Y138-A206 HydrophobicContact CE1-CB 4.05Å; Y138-A206 WeakPolarHBondContact OH-CB 3.48Å; G187-A206 PolarHBondContact O-N 2.88Å; G187-A206 VanDerWaalsContact O-N 3.12Å |
| 207 | F | 62.5 | Low | 64 | Low | 85 Ų | 85 | 90 Ų | 90 | 37% | 0.373 | 47% | 0.469 | S | S | . | . | S | Bend | trans | -123.3 | 107.4 | 171.9 | -71.5 | -84.2 | 0 | 0 | 0 | 109.1 | A142 V205 G209 | A142-F207 HydrophobicContact CB-CE2 3.83Å; A142-F207 HydrophobicContact CB-CZ 4.25Å; V205-F207 WeakPolarHBondContact CG1-O 3.33Å; V205-F207 PolarHBondContact O-N 2.83Å; F207-G209 VanDerWaalsContact C-N 3.34Å; F207-G209 PolarHBondContact O-N 2.02Å |
| 208 | K | 47.1 | Very low | 64.9 | Low | 210 Ų | 210 | 84.3 Ų | 84.3 | 91% | 0.913 | 46% | 0.458 | S | S | * | . | trans | -68.9 | 88.4 | -177.7 | -163.2 | 173.7 | -174.4 | 178.7 | 0 | 110.2 | ||||
| 209 | G | 49.4 | Very low | 65.9 | Low | 54 Ų | 54 | 82 Ų | 82 | 56% | 0.557 | 44% | 0.442 | S | S | * | . | trans | -76.1 | 164.3 | 164.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | F207 S211 | F207-G209 VanDerWaalsContact C-N 3.34Å; F207-G209 PolarHBondContact O-N 2.02Å; G209-S211 PolarHBondContact O-N 3.01Å | ||
| 210 | S | 40.3 | Very low | 66.9 | Low | 131 Ų | 131 | 81.5 Ų | 81.5 | 92% | 0.916 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -76.7 | 1 | -177.3 | 51.3 | 0 | 0 | 0 | 0 | 115 | ||
| 211 | S | 49 | Very low | 67.4 | Low | 85 Ų | 85 | 78.2 Ų | 78.2 | 59% | 0.594 | 42% | 0.422 | S | S | * | . | S | Bend | trans | -107.8 | 144.7 | -173.6 | -50.8 | 0 | 0 | 0 | 0 | 112 | G209 V213 | G209-S211 PolarHBondContact O-N 3.01Å; S211-V213 VanDerWaalsContact O-CG2 3.24Å; S211-V213 WeakPolarHBondContact O-CG2 3.48Å; S211-V213 PolarHBondContact O-N 3.48Å |
| 212 | E | 55.8 | Low | 67.1 | Low | 188 Ų | 188 | 79.6 Ų | 79.6 | 88% | 0.879 | 43% | 0.431 | S | S | * | . | trans | -60.6 | 127.6 | 169.1 | -64.7 | -176.5 | 167.8 | 0 | 0 | 109.5 | ||||
| 213 | V | 61.9 | Low | 66.4 | Low | 40 Ų | 40 | 75 Ų | 75 | 24% | 0.242 | 42% | 0.421 | C | S | . | . | trans | -114.1 | 137 | -173.4 | -172.9 | 0 | 0 | 0 | 0 | 108.8 | F155 Y188 V205 S211 L215 | F155-V213 WeakPolarHBondContact O-CG1 2.92Å; Y188-V213 HydrophobicContact CE1-CG1 3.64Å; Y188-V213 WeakPolarHBondContact OH-CG1 3.02Å; V205-V213 HydrophobicContact CG2-CB 3.9Å; V205-V213 HydrophobicContact CG2-CG1 4.04Å; V205-V213 HydrophobicContact CG2-CG2 3.92Å; S211-V213 VanDerWaalsContact O-CG2 3.24Å; S211-V213 WeakPolarHBondContact O-CG2 3.48Å; S211-V213 PolarHBondContact O-N 3.48Å; V213-L215 PolarHBondContact O-N 3.3Å | ||
| 214 | F | 67.8 | Low | 65.3 | Low | 73 Ų | 73 | 79 Ų | 79 | 32% | 0.32 | 46% | 0.457 | S | S | . | . | P | Polyproline II helix | trans | -61.2 | 117.8 | 169.7 | 178.3 | -94.3 | 0 | 0 | 0 | 109.1 | F155 L161 Y188 | F155-F214 HydrophobicContact CB-CB 4.46Å; F155-F214 WeakPolarHBondContact O-CA 3.49Å; F155-F214 VanDerWaalsContact O-CB 3.23Å; F155-F214 WeakPolarHBondContact O-CB 3.26Å; F155-F214 PolarHBondContact O-N 2.04Å; L161-F214 HydrophobicContact CD2-CE1 4.28Å; Y188-F214 WeakPolarHBondContact CE1-O 3.38Å; Y188-F214 VanDerWaalsContact CZ-O 3.28Å; Y188-F214 PolarHBondContact OH-O 2.89Å |
| 215 | L | 74.5 | Confident | 64.3 | Low | 96 Ų | 96 | 80 Ų | 80 | 50% | 0.503 | 46% | 0.463 | S | S | . | . | P | Polyproline II helix | trans | -86.8 | 131.6 | 176.8 | -65.1 | 176 | 0 | 0 | 0 | 109.8 | W203 V213 | W203-L215 HydrophobicContact CB-CD2 4.13Å; V213-L215 PolarHBondContact O-N 3.3Å |
| 216 | P | 75 | Confident | 63.4 | Low | 8 Ų | 8 | 81.1 Ų | 81.1 | 5% | 0.052 | 47% | 0.472 | C | S | . | . | P | Polyproline II helix | trans | -67.4 | 158.3 | 178 | 22.8 | -27.8 | 0 | 0 | 0 | 112.6 | Y188 W203 W252 | Y188-P216 HydrophobicContact CD1-CG 4.2Å; Y188-P216 HydrophobicContact CG-CG 4.18Å; W203-P216 HydrophobicContact CB-CG 4.4Å; W203-P216 HydrophobicContact CD2-CG 3.64Å; W203-P216 HydrophobicContact CE3-CG 4.24Å; W203-P216 HydrophobicContact CG-CG 3.73Å; W203-P216 HydrophobicContact CZ2-CG 4.14Å; W203-P216 PolarHBondContact NE1-O 3.04Å; P216-W252 HydrophobicContact CB-CD2 3.3Å; P216-W252 HydrophobicContact CB-CE3 3.36Å; P216-W252 HydrophobicContact CB-CG 3.82Å; P216-W252 HydrophobicContact CB-CH2 3.87Å; P216-W252 HydrophobicContact CB-CZ2 3.85Å; P216-W252 HydrophobicContact CB-CZ3 3.63Å; P216-W252 HydrophobicContact CG-CD2 4.24Å; P216-W252 HydrophobicContact CG-CE3 3.79Å; P216-W252 HydrophobicContact CG-CH2 4.31Å; P216-W252 HydrophobicContact CG-CZ3 3.81Å |
| 217 | P | 73.4 | Confident | 63.1 | Low | 77 Ų | 77 | 89.2 Ų | 89.2 | 50% | 0.5 | 51% | 0.506 | S | S | . | . | P | Polyproline II helix | trans | -66.1 | 173.2 | 173.1 | 29.7 | -36 | 0 | 0 | 0 | 111.9 | W203 W252 | W203-P217 PolarHBondContact NE1-O 3.43Å; P217-W252 HydrophobicContact CG-CG 4.34Å |
| 218 | D | 73.9 | Confident | 62.9 | Low | 140 Ų | 140 | 91.7 Ų | 91.7 | 75% | 0.749 | 52% | 0.523 | S | S | * | . | S | Bend | trans | -51.1 | 131.8 | -178.6 | -65.9 | -31.9 | 0 | 0 | 0 | 112.4 | ||
| 219 | P | 75.9 | Confident | 63.9 | Low | 15 Ų | 15 | 84.4 Ų | 84.4 | 10% | 0.097 | 49% | 0.494 | C | S | . | . | P | Polyproline II helix | trans | -71.4 | 149.3 | -175.3 | 22.8 | -28.9 | 0 | 0 | 0 | 113.3 | Y190 W203 F221 A254 | Y190-P219 HydrophobicContact CD1-CG 4.13Å; Y190-P219 HydrophobicContact CD2-CG 3.68Å; Y190-P219 HydrophobicContact CE1-CG 4.05Å; Y190-P219 VanDerWaalsContact CE2-CD 3.5Å; Y190-P219 HydrophobicContact CE2-CG 3.6Å; Y190-P219 HydrophobicContact CG-CG 3.93Å; W203-P219 HydrophobicContact CH2-CB 4.01Å; W203-P219 HydrophobicContact CH2-CG 4.45Å; W203-P219 HydrophobicContact CZ2-CB 3.53Å; W203-P219 HydrophobicContact CZ2-CG 3.87Å; P219-F221 HydrophobicContact CG-CE2 4.29Å; P219-F221 HydrophobicContact CG-CZ 4.12Å; P219-A254 HydrophobicContact CB-CB 3.54Å; P219-A254 HydrophobicContact CG-CB 4.02Å |
| 220 | I | 79.1 | Confident | 65.3 | Low | 94 Ų | 94 | 86.7 Ų | 86.7 | 48% | 0.482 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 118.7 | 158.3 | -57.5 | 171.7 | 0 | 0 | 0 | 108.1 | A222 W252 H253 A254 | I220-A222 PolarHBondContact O-N 2.78Å; I220-W252 PolarHBondContact N-O 3.26Å; I220-H253 CarbonylContact O-C 3.56Å; I220-H253 WeakPolarHBondContact O-CA 3.46Å; I220-A254 PolarHBondContact O-N 3.31Å |
| 221 | F | 74.9 | Confident | 67.3 | Low | 68 Ų | 68 | 83.4 Ų | 83.4 | 30% | 0.298 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 117.9 | 174.5 | -65 | -85.6 | 0 | 0 | 0 | 109.9 | Y190 I192 P219 M225 F232 A254 | Y190-F221 HydrophobicContact CD1-CE1 4.26Å; Y190-F221 HydrophobicContact CD1-CZ 4.13Å; Y190-F221 HydrophobicContact CE1-CE1 4.26Å; Y190-F221 AromaticContact CE1-CZ 3.69Å; Y190-F221 HydrophobicContact CE1-CZ 3.69Å; I192-F221 HydrophobicContact CD1-CE1 4.32Å; I192-F221 HydrophobicContact CD1-CZ 4.47Å; P219-F221 HydrophobicContact CG-CE2 4.29Å; P219-F221 HydrophobicContact CG-CZ 4.12Å; F221-M225 HydrophobicContact CD1-CG 4.44Å; F221-M225 HydrophobicContact CE1-CE 4.24Å; F221-F232 HydrophobicContact CE1-CD2 4.36Å; F221-A254 HydrophobicContact CD1-CB 3.89Å; F221-A254 HydrophobicContact CE1-CB 3.92Å |
| 222 | A | 64.8 | Low | 69.2 | Low | 45 Ų | 45 | 79.6 Ų | 79.6 | 37% | 0.372 | 44% | 0.441 | S | S | . | . | trans | -90.2 | -24 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | I220 A254 E255 | I220-A222 PolarHBondContact O-N 2.78Å; A222-A254 PolarHBondContact N-O 2.89Å; A222-E255 WeakPolarHBondContact CB-OE2 2.91Å | ||
| 223 | S | 64.1 | Low | 70.8 | Confident | 42 Ų | 42 | 70.7 Ų | 70.7 | 29% | 0.294 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -118.5 | 153.3 | 173.7 | 43.3 | 0 | 0 | 0 | 0 | 112 | M225 E255 | S223-M225 PolarHBondContact O-N 3.46Å; S223-E255 VanDerWaalsContact CB-OE1 3.26Å; S223-E255 WeakPolarHBondContact CB-OE1 3.32Å; S223-E255 PolarHBondContact OG-OE1 3.24Å |
| 224 | A | 58.5 | Low | 72.1 | Confident | 100 Ų | 100 | 68.8 Ų | 68.8 | 83% | 0.826 | 39% | 0.388 | S | S | * | . | trans | -63 | 123.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | S226 | A224-S226 PolarHBondContact O-N 2.84Š| ||
| 225 | M | 58.7 | Low | 73.2 | Confident | 73 Ų | 73 | 65.6 Ų | 65.6 | 36% | 0.36 | 37% | 0.374 | S | S | . | . | trans | -55.2 | 115.2 | -178.2 | -60.6 | -171.7 | 75.7 | 0 | 0 | 110.2 | I192 L199 F221 S223 F232 | I192-M225 HydrophobicContact CD1-CE 3.13Å; L199-M225 HydrophobicContact CD1-SD 4.19Å; L199-M225 HydrophobicContact CD2-CE 3.73Å; L199-M225 HydrophobicContact CD2-SD 3.67Å; F221-M225 HydrophobicContact CD1-CG 4.44Å; F221-M225 HydrophobicContact CE1-CE 4.24Å; S223-M225 PolarHBondContact O-N 3.46Å; M225-F232 HydrophobicContact CE-CE2 4.05Å; M225-F232 HydrophobicContact CE-CZ 4.15Å | ||
| 226 | S | 58.6 | Low | 73.8 | Confident | 58 Ų | 58 | 61 Ų | 61 | 41% | 0.406 | 35% | 0.35 | S | S | . | . | trans | -70.4 | 132.8 | 166 | -179 | 0 | 0 | 0 | 0 | 107.8 | A224 N228 D229 | A224-S226 PolarHBondContact O-N 2.84Å; S226-N228 PolarHBondContact O-N 3.34Å; S226-D229 PolarHBondContact O-N 3.43Å | ||
| 227 | E | 59.1 | Low | 74.3 | Confident | 191 Ų | 191 | 61 Ų | 61 | 89% | 0.893 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -10.7 | -178.6 | -72.5 | -178.1 | 155.7 | 0 | 0 | 114 | ||
| 228 | N | 59.8 | Low | 74.4 | Confident | 137 Ų | 137 | 58.2 Ų | 58.2 | 73% | 0.733 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.1 | -12.1 | -175.7 | -66.7 | -26.3 | 0 | 0 | 0 | 114.6 | S226 | S226-N228 PolarHBondContact O-N 3.34Š|
| 229 | D | 68.3 | Low | 74 | Confident | 58 Ų | 58 | 54.4 Ų | 54.4 | 31% | 0.31 | 31% | 0.308 | S | S | . | . | trans | -97.3 | 105 | -175 | -65.9 | -24.9 | 0 | 0 | 0 | 110 | S226 F232 | S226-D229 PolarHBondContact O-N 3.43Å; D229-F232 HydrophobicContact CB-CE1 4.42Å; D229-F232 HydrophobicContact CB-CZ 4.08Å; D229-F232 WeakPolarHBondContact O-CE2 3.09Å; D229-F232 WeakPolarHBondContact O-CZ 3.21Å | ||
| 230 | N | 77.3 | Confident | 73 | Confident | 102 Ų | 102 | 57.9 Ų | 57.9 | 55% | 0.545 | 32% | 0.323 | S | S | . | . | trans | -90.7 | -7.1 | 178 | -60.9 | -25.4 | 0 | 0 | 0 | 112.9 | I192 | I192-N230 PolarHBondContact N-O 3.03Š| ||
| 231 | V | 83.9 | Confident | 71.8 | Confident | 62 Ų | 62 | 58 Ų | 58 | 38% | 0.376 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 124.9 | -176 | -175.7 | 0 | 0 | 0 | 0 | 109.3 | Q189 Y190 V191 | Q189-V231 HydrophobicContact CB-CG1 4.31Å; Y190-V231 WeakPolarHBondContact O-CA 3.5Å; V191-V231 HydrophobicContact CG2-CG2 4.4Å |
| 232 | F | 87 | Confident | 70.7 | Confident | 5 Ų | 5 | 60 Ų | 60 | 2% | 0.022 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 153 | 175.4 | -62.2 | -90.9 | 0 | 0 | 0 | 110.1 | Q189 Y190 I192 F221 M225 D229 A254 | Q189-F232 CarbonylContact C-O 3.6Å; Q189-F232 VanDerWaalsContact CA-O 3.32Å; Q189-F232 WeakPolarHBondContact CA-O 2.95Å; Y190-F232 PolarHBondContact N-O 3.37Å; Y190-F232 PolarHBondContact O-N 3.16Å; I192-F232 HydrophobicContact CD1-CD2 3.93Å; I192-F232 HydrophobicContact CD1-CE2 3.49Å; I192-F232 VanDerWaalsContact CD1-CE2 3.49Å; I192-F232 HydrophobicContact CG1-CD2 4.29Å; I192-F232 HydrophobicContact CG1-CE2 4.21Å; F221-F232 HydrophobicContact CE1-CD2 4.36Å; M225-F232 HydrophobicContact CE-CE2 4.05Å; M225-F232 HydrophobicContact CE-CZ 4.15Å; D229-F232 HydrophobicContact CB-CE1 4.42Å; D229-F232 HydrophobicContact CB-CZ 4.08Å; D229-F232 WeakPolarHBondContact O-CE2 3.09Å; D229-F232 WeakPolarHBondContact O-CZ 3.21Å; F232-A254 HydrophobicContact CB-CB 3.83Å; F232-A254 HydrophobicContact CG-CB 4.38Å |
| 233 | C | 89.6 | Confident | 70 | Confident | 1 Ų | 1 | 63.9 Ų | 63.9 | 1% | 0.007 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 144.1 | -179.9 | -73.3 | 0 | 0 | 0 | 0 | 110.6 | Y138 W185 E255 C257 | Y138-C233 HydrophobicContact CD1-CB 4.45Å; Y138-C233 WeakPolarHBondContact CD1-SG 3.47Å; Y138-C233 HydrophobicContact CD2-CB 3.52Å; Y138-C233 VanDerWaalsContact CD2-SG 3.59Å; Y138-C233 HydrophobicContact CE2-CB 3.89Å; Y138-C233 HydrophobicContact CG-CB 3.8Å; W185-C233 HydrophobicContact CE3-CB 4.01Å; W185-C233 HydrophobicContact CH2-CB 4.06Å; W185-C233 HydrophobicContact CZ3-CB 3.4Å; W185-C233 VanDerWaalsContact CZ3-CB 3.4Å; C233-E255 PolarHBondContact N-O 2.93Å; C233-E255 PolarHBondContact O-N 3.45Å; C233-C257 HydrophobicContact CB-CB 3.94Å; C233-C257 WeakPolarHBondContact CB-SG 3.11Å; C233-C257 PolarHBondContact N-SG 3.31Å; C233-C257 VanDerWaalsContact N-SG 3.41Å; C233-C257 WeakPolarHBondContact SG-CB 3.12Å; C233-C257 CovalentContact SG-SG 2.03Å; C233-C257 PolarHBondContact SG-SG 3.29Å |
| 234 | A | 89.9 | Confident | 69.3 | Low | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 127.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | V186 Y188 W203 H253 | V186-A234 HydrophobicContact CG2-CB 3.65Å; V186-A234 WeakPolarHBondContact CG2-O 3.02Å; V186-A234 PolarHBondContact N-O 3.12Å; Y188-A234 WeakPolarHBondContact O-CB 3.3Å; Y188-A234 PolarHBondContact O-N 2.82Å; W203-A234 HydrophobicContact CE3-CB 4.38Å; W203-A234 HydrophobicContact CH2-CB 3.76Å; W203-A234 HydrophobicContact CZ3-CB 3.46Å; W203-A234 VanDerWaalsContact CZ3-CB 3.46Å; A234-H253 WeakPolarHBondContact CA-O 3.49Å |
| 235 | Q | 89.9 | Confident | 68.7 | Low | 6 Ų | 6 | 73.3 Ų | 73.3 | 3% | 0.028 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 123.2 | 166.6 | -66.5 | -176.9 | -13.2 | 0 | 0 | 110.4 | K183 L184 W185 H253 E255 | K183-Q235 HydrophobicContact CB-CB 4.39Å; L184-Q235 CarbonylContact O-C 3.59Å; L184-Q235 WeakPolarHBondContact O-CA 3.12Å; W185-Q235 HydrophobicContact CD2-CG 4.03Å; W185-Q235 HydrophobicContact CE3-CG 3.4Å; W185-Q235 VanDerWaalsContact CE3-CG 3.4Å; W185-Q235 HydrophobicContact CH2-CG 3.76Å; W185-Q235 HydrophobicContact CZ2-CG 4.34Å; W185-Q235 HydrophobicContact CZ3-CG 3.25Å; Q235-H253 HydrophobicContact CB-CB 4.23Å; Q235-H253 PolarHBondContact N-O 2.74Å; Q235-H253 PolarHBondContact O-N 3.46Å; Q235-E255 HydrophobicContact CG-CB 4.15Å |
| 236 | L | 88.4 | Confident | 68 | Low | 0 Ų | 0 | 76.3 Ų | 76.3 | 0% | 0 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 116.4 | 170.3 | -179 | 64.9 | 0 | 0 | 0 | 108.8 | F155 L161 L165 K183 L184 V186 H250 W252 | F155-L236 HydrophobicContact CE2-CD2 4.31Å; F155-L236 HydrophobicContact CZ-CD2 4.18Å; L161-L236 HydrophobicContact CD1-CD2 4.01Å; L165-L236 HydrophobicContact CD2-CD2 4.41Å; K183-L236 WeakPolarHBondContact CA-O 2.91Å; L184-L236 PolarHBondContact N-O 3.24Å; L184-L236 PolarHBondContact O-N 3.4Å; V186-L236 HydrophobicContact CG1-CB 3.88Å; V186-L236 HydrophobicContact CG1-CD2 4.4Å; V186-L236 HydrophobicContact CG2-CB 4.21Å; L236-H250 HydrophobicContact CD1-CB 4.31Å; L236-W252 HydrophobicContact CD1-CD2 4.03Å; L236-W252 HydrophobicContact CD1-CE3 4.34Å; L236-W252 HydrophobicContact CD1-CH2 4.22Å; L236-W252 HydrophobicContact CD1-CZ2 3.87Å; L236-W252 HydrophobicContact CD1-CZ3 4.45Å |
| 237 | Q | 85.1 | Confident | 67.7 | Low | 6 Ų | 6 | 79.7 Ų | 79.7 | 3% | 0.028 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 117.1 | 172.9 | 178.8 | 167 | -10.3 | 0 | 0 | 109.8 | Q181 R182 K183 F239 H250 S251 H253 | Q181-Q237 VanDerWaalsContact CG-NE2 3.28Å; R182-Q237 WeakPolarHBondContact O-CA 3.11Å; K183-Q237 HydrophobicContact CG-CB 4.21Å; K183-Q237 HydrophobicContact CG-CG 4.36Å; Q237-F239 HydrophobicContact CG-CE2 4.08Å; Q237-F239 HydrophobicContact CG-CZ 4.05Å; Q237-F239 VanDerWaalsContact NE2-CE1 3.33Å; Q237-H250 WeakPolarHBondContact O-CA 3.37Å; Q237-S251 PolarHBondContact N-O 2.73Å; Q237-S251 PolarHBondContact O-N 3.49Å; Q237-S251 VanDerWaalsContact O-N 3.08Å; Q237-H253 PolarHBondContact OE1-CE1 2.85Å |
| 238 | C | 74.7 | Confident | 67.5 | Low | 20 Ų | 20 | 74.7 Ų | 74.7 | 14% | 0.135 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 125.6 | 177.1 | -52.5 | 0 | 0 | 0 | 0 | 109.2 | L165 R182 | L165-C238 HydrophobicContact CD2-CB 4.15Å; L165-C238 VanDerWaalsContact CD2-SG 3.51Å; R182-C238 PolarHBondContact O-N 3.2Å; R182-C238 VanDerWaalsContact O-N 3.13Å |
| 239 | F | 66 | Low | 67.9 | Low | 60 Ų | 60 | 73 Ų | 73 | 26% | 0.263 | 37% | 0.366 | S | S | . | . | P | Polyproline II helix | trans | -95.8 | 121.9 | 171.4 | -65.5 | -82.6 | 0 | 0 | 0 | 109.5 | Q181 Q237 F241 L249 S251 | Q181-F239 HydrophobicContact CG-CE1 4.12Å; Q237-F239 HydrophobicContact CG-CE2 4.08Å; Q237-F239 HydrophobicContact CG-CZ 4.05Å; Q237-F239 VanDerWaalsContact NE2-CE1 3.33Å; F239-F241 HydrophobicContact CB-CD2 4.15Å; F239-F241 HydrophobicContact CB-CE2 3.79Å; F239-F241 HydrophobicContact CD1-CE2 4.06Å; F239-F241 HydrophobicContact CD1-CZ 4.28Å; F239-F241 HydrophobicContact CG-CE2 4.23Å; F239-L249 HydrophobicContact CB-CB 4.16Å; F239-L249 WeakPolarHBondContact CB-O 3.34Å; F239-L249 HydrophobicContact CD2-CB 4.21Å; F239-L249 WeakPolarHBondContact CD2-O 3.22Å; F239-L249 PolarHBondContact N-O 3.5Å; F239-S251 WeakPolarHBondContact CE2-OG 3.23Å |
| 240 | H | 55.5 | Low | 68.3 | Low | 88 Ų | 88 | 73.3 Ų | 73.3 | 41% | 0.407 | 37% | 0.366 | S | S | . | . | trans | -113.1 | 103.8 | 174.1 | -173.8 | 82.2 | 0 | 0 | 0 | 108.7 | E168 | E168-H240 IonicContact OE1-CE1 2.84Š| ||
| 241 | F | 54.4 | Low | 68.6 | Low | 96 Ų | 96 | 69.4 Ų | 69.4 | 42% | 0.421 | 35% | 0.346 | S | S | . | . | trans | -108.9 | 112 | 173.6 | -68.2 | -71.9 | 0 | 0 | 0 | 109.2 | F239 T243 L244 | F239-F241 HydrophobicContact CB-CD2 4.15Å; F239-F241 HydrophobicContact CB-CE2 3.79Å; F239-F241 HydrophobicContact CD1-CE2 4.06Å; F239-F241 HydrophobicContact CD1-CZ 4.28Å; F239-F241 HydrophobicContact CG-CE2 4.23Å; F241-T243 PolarHBondContact O-N 2.95Å; F241-L244 HydrophobicContact CB-CB 4.3Å; F241-L244 PolarHBondContact O-N 3.48Å | ||
| 242 | P | 51.1 | Low | 68.7 | Low | 111 Ų | 111 | 66.8 Ų | 66.8 | 72% | 0.721 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -16.3 | -179.1 | -23.7 | 32.2 | 0 | 0 | 0 | 114.5 | ||
| 243 | T | 50.5 | Low | 68.7 | Low | 126 Ų | 126 | 67.4 Ų | 67.4 | 77% | 0.773 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.8 | -12.5 | -171 | 51.7 | 0 | 0 | 0 | 0 | 114.7 | F241 | F241-T243 PolarHBondContact O-N 2.95Š|
| 244 | L | 48.2 | Very low | 68.6 | Low | 108 Ų | 108 | 67.3 Ų | 67.3 | 57% | 0.565 | 33% | 0.332 | S | S | * | . | trans | -114.9 | 111.5 | -179.4 | -83.9 | 160.6 | 0 | 0 | 0 | 109.4 | F241 H246 | F241-L244 HydrophobicContact CB-CB 4.3Å; F241-L244 PolarHBondContact O-N 3.48Å; L244-H246 PolarHBondContact O-N 3.43Å | ||
| 245 | R | 46 | Very low | 68.5 | Low | 232 Ų | 232 | 68.2 Ų | 68.2 | 88% | 0.875 | 34% | 0.336 | S | S | * | . | trans | -69.7 | 25.9 | 176.2 | -63.8 | -165.8 | -172.9 | -170.2 | 3 | 114.2 | ||||
| 246 | H | 44.9 | Very low | 68.4 | Low | 135 Ų | 135 | 69.2 Ų | 69.2 | 63% | 0.625 | 34% | 0.344 | S | S | * | . | trans | -103.5 | 92.5 | 172.8 | -75.7 | -53.2 | 0 | 0 | 0 | 108.2 | L244 D248 L249 | L244-H246 PolarHBondContact O-N 3.43Å; H246-D248 PolarHBondContact O-N 3.32Å; H246-L249 HydrophobicContact CB-CD1 4.49Å | ||
| 247 | H | 52.8 | Low | 68.4 | Low | 130 Ų | 130 | 69.6 Ų | 69.6 | 60% | 0.602 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | 15.3 | -178 | -69.7 | -80 | 0 | 0 | 0 | 114.1 | ||
| 248 | D | 53.9 | Low | 68.6 | Low | 85 Ų | 85 | 77.4 Ų | 77.4 | 46% | 0.455 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.5 | 0.4 | -167.2 | -60.9 | -50.5 | 0 | 0 | 0 | 114.4 | R162 H246 H250 | R162-D248 IonicContact NE-OD1 3.69Å; H246-D248 PolarHBondContact O-N 3.32Å; D248-H250 PolarHBondContact O-N 2.94Å; D248-H250 PolarHBondContact O-ND1 2.94Å |
| 249 | L | 67.7 | Low | 69.3 | Low | 102 Ų | 102 | 81.3 Ų | 81.3 | 53% | 0.534 | 39% | 0.394 | S | S | . | . | trans | -77.5 | 100.8 | 176 | -88.1 | 91.7 | 0 | 0 | 0 | 110.8 | F239 H246 | F239-L249 HydrophobicContact CB-CB 4.16Å; F239-L249 WeakPolarHBondContact CB-O 3.34Å; F239-L249 HydrophobicContact CD2-CB 4.21Å; F239-L249 WeakPolarHBondContact CD2-O 3.22Å; F239-L249 PolarHBondContact N-O 3.5Å; H246-L249 HydrophobicContact CB-CD1 4.49Å | ||
| 250 | H | 78.4 | Confident | 70.4 | Confident | 64 Ų | 64 | 85.9 Ų | 85.9 | 30% | 0.296 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 152.6 | 170.7 | 63.6 | -70.9 | 0 | 0 | 0 | 109 | L165 L236 Q237 D248 W252 | L165-H250 HydrophobicContact CD1-CB 3.85Å; L165-H250 HydrophobicContact CD2-CB 3.73Å; L165-H250 HydrophobicContact CG-CB 4.47Å; L236-H250 HydrophobicContact CD1-CB 4.31Å; Q237-H250 WeakPolarHBondContact O-CA 3.37Å; D248-H250 PolarHBondContact O-N 2.94Å; D248-H250 PolarHBondContact O-ND1 2.94Å; H250-W252 AromaticContact CD2-NE1 3.4Å; H250-W252 PolarHBondContact CD2-NE1 3.26Å; H250-W252 AromaticContact NE2-NE1 3.66Å |
| 251 | S | 83.6 | Confident | 72 | Confident | 20 Ų | 20 | 82.3 Ų | 82.3 | 14% | 0.14 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 138.7 | 179.8 | 51.5 | 0 | 0 | 0 | 0 | 110.3 | Q237 F239 H253 | Q237-S251 PolarHBondContact N-O 2.73Å; Q237-S251 PolarHBondContact O-N 3.49Å; Q237-S251 VanDerWaalsContact O-N 3.08Å; F239-S251 WeakPolarHBondContact CE2-OG 3.23Å; S251-H253 PolarHBondContact O-ND1 3.35Å; S251-H253 PolarHBondContact OG-CE1 3.08Å |
| 252 | W | 85.8 | Confident | 73.7 | Confident | 8 Ų | 8 | 79.1 Ų | 79.1 | 3% | 0.03 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 129 | -178.9 | -65.2 | 87 | 0 | 0 | 0 | 109.5 | F155 L161 V186 Y188 P216 P217 I220 L236 H250 | F155-W252 AromaticContact CD2-CH2 3.91Å; F155-W252 HydrophobicContact CD2-CH2 3.91Å; F155-W252 AromaticContact CE2-CH2 3.82Å; F155-W252 HydrophobicContact CE2-CH2 3.82Å; L161-W252 HydrophobicContact CD1-CZ2 4.11Å; L161-W252 HydrophobicContact CD2-CZ2 4.01Å; V186-W252 HydrophobicContact CG2-CE3 4.44Å; V186-W252 HydrophobicContact CG2-CZ3 3.77Å; Y188-W252 HydrophobicContact CD2-CH2 4.44Å; Y188-W252 AromaticContact CD2-CZ3 3.97Å; Y188-W252 HydrophobicContact CD2-CZ3 3.97Å; Y188-W252 HydrophobicContact CE2-CH2 4.08Å; Y188-W252 HydrophobicContact CE2-CZ3 4.08Å; P216-W252 HydrophobicContact CB-CD2 3.3Å; P216-W252 HydrophobicContact CB-CE3 3.36Å; P216-W252 HydrophobicContact CB-CG 3.82Å; P216-W252 HydrophobicContact CB-CH2 3.87Å; P216-W252 HydrophobicContact CB-CZ2 3.85Å; P216-W252 HydrophobicContact CB-CZ3 3.63Å; P216-W252 HydrophobicContact CG-CD2 4.24Å; P216-W252 HydrophobicContact CG-CE3 3.79Å; P216-W252 HydrophobicContact CG-CH2 4.31Å; P216-W252 HydrophobicContact CG-CZ3 3.81Å; P217-W252 HydrophobicContact CG-CG 4.34Å; I220-W252 PolarHBondContact N-O 3.26Å; L236-W252 HydrophobicContact CD1-CD2 4.03Å; L236-W252 HydrophobicContact CD1-CE3 4.34Å; L236-W252 HydrophobicContact CD1-CH2 4.22Å; L236-W252 HydrophobicContact CD1-CZ2 3.87Å; L236-W252 HydrophobicContact CD1-CZ3 4.45Å; H250-W252 AromaticContact CD2-NE1 3.4Å; H250-W252 PolarHBondContact CD2-NE1 3.26Å; H250-W252 AromaticContact NE2-NE1 3.66Å |
| 253 | H | 86.4 | Confident | 75.6 | Confident | 17 Ų | 17 | 73.9 Ų | 73.9 | 8% | 0.079 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 142 | 179.2 | -63.7 | 82.3 | 0 | 0 | 0 | 111 | I220 A234 Q235 Q237 S251 | I220-H253 CarbonylContact O-C 3.56Å; I220-H253 WeakPolarHBondContact O-CA 3.46Å; A234-H253 WeakPolarHBondContact CA-O 3.49Å; Q235-H253 HydrophobicContact CB-CB 4.23Å; Q235-H253 PolarHBondContact N-O 2.74Å; Q235-H253 PolarHBondContact O-N 3.46Å; Q237-H253 PolarHBondContact OE1-CE1 2.85Å; S251-H253 PolarHBondContact O-ND1 3.35Å; S251-H253 PolarHBondContact OG-CE1 3.08Å |
| 254 | A | 87.4 | Confident | 77.5 | Confident | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 118.9 | 165.3 | 0 | 0 | 0 | 0 | 0 | 108 | P219 I220 F221 A222 F232 | P219-A254 HydrophobicContact CB-CB 3.54Å; P219-A254 HydrophobicContact CG-CB 4.02Å; I220-A254 PolarHBondContact O-N 3.31Å; F221-A254 HydrophobicContact CD1-CB 3.89Å; F221-A254 HydrophobicContact CE1-CB 3.92Å; A222-A254 PolarHBondContact N-O 2.89Å; F232-A254 HydrophobicContact CB-CB 3.83Å; F232-A254 HydrophobicContact CG-CB 4.38Å |
| 255 | E | 88.3 | Confident | 79.5 | Confident | 18 Ų | 18 | 62.7 Ų | 62.7 | 8% | 0.084 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 158.5 | -177.4 | -172.9 | 59.4 | -103.2 | 0 | 0 | 109.9 | W185 A222 S223 C233 Q235 C257 E259 | W185-E255 HydrophobicContact CH2-CB 3.99Å; W185-E255 HydrophobicContact CH2-CG 4.17Å; W185-E255 HydrophobicContact CZ3-CB 4.35Å; A222-E255 WeakPolarHBondContact CB-OE2 2.91Å; S223-E255 VanDerWaalsContact CB-OE1 3.26Å; S223-E255 WeakPolarHBondContact CB-OE1 3.32Å; S223-E255 PolarHBondContact OG-OE1 3.24Å; C233-E255 PolarHBondContact N-O 2.93Å; C233-E255 PolarHBondContact O-N 3.45Å; Q235-E255 HydrophobicContact CG-CB 4.15Å; E255-C257 PolarHBondContact O-N 2.87Å; E255-E259 HydrophobicContact CG-CB 3.98Å; E255-E259 HydrophobicContact CG-CG 3.9Å |
| 256 | S | 88.1 | Confident | 81.4 | Confident | 27 Ų | 27 | 52.7 Ų | 52.7 | 19% | 0.189 | 25% | 0.252 | C | S | . | . | trans | -59.7 | 129.5 | 174.2 | -174.6 | 0 | 0 | 0 | 0 | 110.5 | W185 Y258 E259 | W185-S256 WeakPolarHBondContact CH2-O 3.12Å; S256-Y258 PolarHBondContact O-N 2.8Å; S256-E259 WeakPolarHBondContact O-CB 3.31Å; S256-E259 PolarHBondContact O-N 3.43Å | ||
| 257 | C | 88.4 | Confident | 83.2 | Confident | 9 Ų | 9 | 48.1 Ų | 48.1 | 6% | 0.061 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -15.7 | -178.6 | -59.4 | 0 | 0 | 0 | 0 | 114 | Y138 C233 E255 | Y138-C257 WeakPolarHBondContact CB-O 3.37Å; Y138-C257 PolarHBondContact N-O 3.39Å; Y138-C257 VanDerWaalsContact N-O 3.09Å; C233-C257 HydrophobicContact CB-CB 3.94Å; C233-C257 WeakPolarHBondContact CB-SG 3.11Å; C233-C257 PolarHBondContact N-SG 3.31Å; C233-C257 VanDerWaalsContact N-SG 3.41Å; C233-C257 WeakPolarHBondContact SG-CB 3.12Å; C233-C257 CovalentContact SG-SG 2.03Å; C233-C257 PolarHBondContact SG-SG 3.29Å; E255-C257 PolarHBondContact O-N 2.87Å |
| 258 | Y | 88.8 | Confident | 84 | Confident | 169 Ų | 169 | 45.1 Ų | 45.1 | 66% | 0.663 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | -11.4 | 177.9 | -58.3 | -69.5 | 0 | 0 | 0 | 113.5 | S256 | S256-Y258 PolarHBondContact O-N 2.8Š|
| 259 | E | 88.4 | Confident | 84.6 | Confident | 103 Ų | 103 | 42.9 Ų | 42.9 | 48% | 0.481 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -66.8 | 152.2 | 175.6 | -80.2 | -63.9 | 166.5 | 0 | 0 | 111.8 | N137 W185 E255 S256 | N137-E259 WeakPolarHBondContact CA-O 3.47Å; W185-E259 HydrophobicContact CH2-CB 4.5Å; W185-E259 HydrophobicContact CZ2-CB 4.09Å; W185-E259 VanDerWaalsContact CZ2-O 3.29Å; W185-E259 WeakPolarHBondContact CZ2-O 3.45Å; E255-E259 HydrophobicContact CG-CB 3.98Å; E255-E259 HydrophobicContact CG-CG 3.9Å; S256-E259 WeakPolarHBondContact O-CB 3.31Å; S256-E259 PolarHBondContact O-N 3.43Å |
| 260 | K | 89.3 | Confident | 84.4 | Confident | 156 Ų | 156 | 40 Ų | 40 | 68% | 0.678 | 20% | 0.197 | S | C | * | . | trans | -97.8 | 120.3 | 179.1 | -68.1 | -176.9 | -179.1 | -176.4 | 0 | 110 | E136 | E136-K260 WeakPolarHBondContact O-CA 3.48Š| ||
| 261 | S | 88.9 | Confident | 84.1 | Confident | 13 Ų | 13 | 37.1 Ų | 37.1 | 9% | 0.091 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 165.2 | 175.1 | 90.2 | 0 | 0 | 0 | 0 | 111.3 | E136 W185 | E136-S261 PolarHBondContact N-O 3.31Å; E136-S261 VanDerWaalsContact N-O 3.12Å; E136-S261 PolarHBondContact O-N 3.09Å; W185-S261 VanDerWaalsContact CD2-OG 3.3Å; W185-S261 PolarHBondContact NE1-OG 3.11Å |
| 262 | S | 90.4 | Very high | 83.5 | Confident | 29 Ų | 29 | 38.9 Ų | 38.9 | 20% | 0.203 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 158.2 | 171.6 | -59.4 | 0 | 0 | 0 | 0 | 109.4 | Y132 L184 W185 | Y132-S262 WeakPolarHBondContact O-CA 3.11Å; Y132-S262 WeakPolarHBondContact O-CB 3.33Å; L184-S262 CarbonylContact C-O 3.4Å; L184-S262 VanDerWaalsContact CA-O 3.26Å; L184-S262 WeakPolarHBondContact CA-O 3.28Å; W185-S262 PolarHBondContact N-O 3.4Å |
| 263 | F | 90.9 | Very high | 83 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 152.7 | -174.6 | 58.4 | -87 | 0 | 0 | 0 | 112.5 | V131 Y132 S134 E136 A141 T144 L152 W185 | V131-F263 WeakPolarHBondContact CA-O 3.4Å; Y132-F263 VanDerWaalsContact CB-CE2 3.45Å; Y132-F263 HydrophobicContact CD1-CZ 4.41Å; Y132-F263 HydrophobicContact CD2-CD2 4.1Å; Y132-F263 AromaticContact CD2-CE2 3.57Å; Y132-F263 HydrophobicContact CD2-CE2 3.57Å; Y132-F263 HydrophobicContact CD2-CZ 4.18Å; Y132-F263 HydrophobicContact CG-CD2 4.34Å; Y132-F263 AromaticContact CG-CE2 3.61Å; Y132-F263 HydrophobicContact CG-CE2 3.61Å; Y132-F263 AromaticContact CG-CZ 3.72Å; Y132-F263 HydrophobicContact CG-CZ 3.72Å; Y132-F263 PolarHBondContact N-O 2.78Å; Y132-F263 PolarHBondContact O-N 2.84Å; S134-F263 VanDerWaalsContact OG-CE1 3.3Å; S134-F263 WeakPolarHBondContact OG-CE1 3.33Å; E136-F263 HydrophobicContact CB-CD1 4.25Å; E136-F263 HydrophobicContact CB-CE1 4Å; E136-F263 VanDerWaalsContact CD-CE1 3.48Å; E136-F263 HydrophobicContact CG-CE1 4.07Å; A141-F263 HydrophobicContact CB-CB 3.77Å; A141-F263 HydrophobicContact CB-CD1 3.69Å; A141-F263 HydrophobicContact CB-CD2 3.99Å; A141-F263 HydrophobicContact CB-CE1 4.2Å; A141-F263 HydrophobicContact CB-CE2 4.47Å; A141-F263 HydrophobicContact CB-CG 3.56Å; T144-F263 HydrophobicContact CG2-CE2 3.97Å; T144-F263 HydrophobicContact CG2-CZ 3.75Å; L152-F263 HydrophobicContact CD2-CB 4.16Å; W185-F263 HydrophobicContact CB-CB 3.78Å; W185-F263 HydrophobicContact CG-CB 4.48Å |
| 264 | L | 90.9 | Very high | 82.6 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 117.6 | 178.6 | 179.3 | 68 | 0 | 0 | 0 | 109.2 | Y129 V131 A153 F155 V164 W169 W185 V186 | Y129-L264 HydrophobicContact CD1-CD1 4.27Å; Y129-L264 HydrophobicContact CD1-CD2 4.3Å; Y129-L264 HydrophobicContact CD1-CG 4.35Å; V131-L264 HydrophobicContact CG2-CB 4.31Å; V131-L264 HydrophobicContact CG2-CD1 3.51Å; V131-L264 HydrophobicContact CG2-CG 4.49Å; A153-L264 HydrophobicContact CB-CB 4.02Å; A153-L264 HydrophobicContact CB-CD2 3.46Å; A153-L264 VanDerWaalsContact CB-CD2 3.46Å; A153-L264 HydrophobicContact CB-CG 3.45Å; A153-L264 VanDerWaalsContact CB-CG 3.45Å; A153-L264 WeakPolarHBondContact CB-O 3.33Å; A153-L264 PolarHBondContact N-O 3.46Å; F155-L264 HydrophobicContact CE1-CD2 4.27Å; F155-L264 HydrophobicContact CZ-CD2 3.91Å; V164-L264 HydrophobicContact CG1-CD2 3.56Å; V164-L264 HydrophobicContact CG2-CD2 4.4Å; W169-L264 HydrophobicContact CE3-CD1 4.25Å; W169-L264 HydrophobicContact CH2-CD1 3.22Å; W169-L264 HydrophobicContact CZ2-CD1 3.98Å; W169-L264 HydrophobicContact CZ3-CD1 3.38Å; W185-L264 PolarHBondContact O-N 2.04Å; V186-L264 HydrophobicContact CG1-CD2 4.48Å |
| 265 | C | 90.1 | Very high | 81.7 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 136.3 | 171.6 | -60.3 | 0 | 0 | 0 | 0 | 110.2 | W119 Y129 R130 Y132 C145 S151 | W119-C265 HydrophobicContact CH2-CB 3.81Å; W119-C265 HydrophobicContact CZ3-CB 4.15Å; Y129-C265 WeakPolarHBondContact CA-O 3.29Å; R130-C265 PolarHBondContact N-O 2.72Å; R130-C265 PolarHBondContact O-N 3.25Å; Y132-C265 HydrophobicContact CD2-CB 4.48Å; Y132-C265 HydrophobicContact CE2-CB 4.21Å; C145-C265 VanDerWaalsContact CA-SG 3.51Å; C145-C265 HydrophobicContact CB-CB 3.87Å; C145-C265 WeakPolarHBondContact CB-SG 3.45Å; C145-C265 VanDerWaalsContact SG-CA 3.51Å; C145-C265 WeakPolarHBondContact SG-CB 3.5Å; C145-C265 CovalentContact SG-SG 2.04Å; C145-C265 PolarHBondContact SG-SG 2.76Å; S151-C265 WeakPolarHBondContact O-CA 3.43Å |
| 266 | K | 87.1 | Confident | 80.8 | Confident | 21 Ų | 21 | 52.1 Ų | 52.1 | 9% | 0.091 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 138.8 | 166.4 | 178 | 177.4 | 178 | 161.4 | 0 | 108.7 | S127 C128 Y129 G150 S151 A153 T154 E160 | S127-K266 VanDerWaalsContact OG-CE 3.26Å; S127-K266 WeakPolarHBondContact OG-CE 3.06Å; C128-K266 CarbonylContact O-C 3.46Å; C128-K266 WeakPolarHBondContact O-CA 3.36Å; Y129-K266 HydrophobicContact CD1-CB 4.08Å; Y129-K266 HydrophobicContact CD1-CG 4.37Å; Y129-K266 HydrophobicContact CE1-CB 3.72Å; Y129-K266 HydrophobicContact CE1-CD 3.87Å; Y129-K266 HydrophobicContact CE1-CG 3.75Å; Y129-K266 WeakPolarHBondContact OH-CD 3.2Å; Y129-K266 WeakPolarHBondContact OH-CE 3.07Å; Y129-K266 PolarHBondContact OH-NZ 2.78Å; G150-K266 CarbonylContact C-O 3.39Å; G150-K266 WeakPolarHBondContact CA-O 3.31Å; S151-K266 PolarHBondContact N-O 2.79Å; S151-K266 PolarHBondContact O-N 2.86Å; S151-K266 VanDerWaalsContact O-O 3.05Å; A153-K266 HydrophobicContact CB-CB 3.81Å; T154-K266 WeakPolarHBondContact O-CD 3.29Å; T154-K266 PolarHBondContact O-NZ 3.05Å; E160-K266 IonicContact OE1-NZ 2.95Å; E160-K266 PolarHBondContact OE1-NZ 3.04Å; E160-K266 IonicContact OE2-NZ 2.84Å; E160-K266 PolarHBondContact OE2-NZ 3.14Å |
| 267 | R | 82.4 | Confident | 79.8 | Confident | 39 Ų | 39 | 55.1 Ų | 55.1 | 15% | 0.147 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 115.4 | 164.3 | 177.1 | 169.6 | 65.8 | -136.8 | -25.4 | 106.9 | W119 C128 L148 N149 Q269 | W119-R267 HydrophobicContact CH2-CB 4.38Å; W119-R267 HydrophobicContact CZ3-CB 4.04Å; C128-R267 HydrophobicContact CB-CB 4.3Å; C128-R267 WeakPolarHBondContact CB-O 3.46Å; C128-R267 PolarHBondContact N-O 3.35Å; C128-R267 PolarHBondContact O-N 2.76Å; L148-R267 PolarHBondContact O-NH1 3.33Å; N149-R267 WeakPolarHBondContact O-CD 3.38Å; N149-R267 WeakPolarHBondContact O-CG 3.02Å; R267-Q269 PolarHBondContact O-N 3.48Å |
| 268 | S | 69.8 | Low | 78.9 | Confident | 68 Ų | 68 | 57.7 Ų | 57.7 | 48% | 0.476 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.6 | 137.2 | 163.3 | 43.6 | 0 | 0 | 0 | 0 | 107.5 | T270 | S268-T270 PolarHBondContact O-N 3.3Å |
| 269 | Q | 66.6 | Low | 78 | Confident | 38 Ų | 38 | 50.6 Ų | 50.6 | 18% | 0.178 | 26% | 0.263 | C | S | . | . | trans | -57.4 | 118.9 | 171.2 | -169.4 | 177.3 | -31.4 | 0 | 0 | 106.6 | A126 R267 G301 | A126-Q269 HydrophobicContact CB-CB 4.05Å; A126-Q269 WeakPolarHBondContact O-CA 3.4Å; A126-Q269 WeakPolarHBondContact O-CB 3.07Å; A126-Q269 PolarHBondContact O-N 3.39Å; R267-Q269 PolarHBondContact O-N 3.48Å; Q269-G301 VanDerWaalsContact C-CA 3.46Å; Q269-G301 WeakPolarHBondContact CG-O 3.04Å; Q269-G301 PolarHBondContact NE2-O 2.93Å; Q269-G301 WeakPolarHBondContact O-CA 3.38Å; Q269-G301 PolarHBondContact O-N 2.97Å | ||
| 270 | T | 63.3 | Low | 76.9 | Confident | 41 Ų | 41 | 51 Ų | 51 | 25% | 0.252 | 27% | 0.268 | S | S | . | . | trans | -117 | 142.4 | 177.2 | 48 | 0 | 0 | 0 | 0 | 107 | S268 V272 V278 | S268-T270 PolarHBondContact O-N 3.3Å; T270-V272 PolarHBondContact O-N 2.93Å; T270-V278 HydrophobicContact CG2-CG1 4.14Å | ||
| 271 | C | 72.1 | Confident | 76.1 | Confident | 3 Ų | 3 | 48.6 Ų | 48.6 | 2% | 0.02 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 133.9 | 179.6 | -61.8 | 0 | 0 | 0 | 0 | 109.3 | V279 F285 C298 G301 | C271-V279 HydrophobicContact CB-CB 4.32Å; C271-V279 PolarHBondContact O-N 2.81Å; C271-F285 HydrophobicContact CB-CD1 3.66Å; C271-F285 HydrophobicContact CB-CD2 3.88Å; C271-F285 HydrophobicContact CB-CE1 3.39Å; C271-F285 HydrophobicContact CB-CE2 3.6Å; C271-F285 HydrophobicContact CB-CG 3.91Å; C271-F285 HydrophobicContact CB-CZ 3.35Å; C271-F285 WeakPolarHBondContact SG-CE1 3.36Å; C271-F285 WeakPolarHBondContact SG-CZ 3.34Å; C271-C298 HydrophobicContact CB-CB 3.5Å; C271-C298 WeakPolarHBondContact CB-SG 3.49Å; C271-C298 PolarHBondContact N-SG 3.03Å; C271-C298 WeakPolarHBondContact SG-CA 3.05Å; C271-C298 WeakPolarHBondContact SG-CB 3.41Å; C271-C298 CovalentContact SG-SG 2.02Å; C271-C298 PolarHBondContact SG-SG 3.32Å; C271-G301 VanDerWaalsContact SG-C 3.56Å |
| 272 | V | 69.6 | Low | 75.2 | Confident | 58 Ų | 58 | 49.9 Ų | 49.9 | 35% | 0.352 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 121.3 | 177.8 | -175.1 | 0 | 0 | 0 | 0 | 108.5 | T270 N277 | T270-V272 PolarHBondContact O-N 2.93Å; V272-N277 WeakPolarHBondContact CA-O 3.36Å |
| 273 | D | 76.8 | Confident | 74.5 | Confident | 24 Ų | 24 | 54.5 Ų | 54.5 | 13% | 0.128 | 29% | 0.291 | C | S | . | . | B | Isolated β-bridge | trans | -69 | 161.6 | 178 | -174 | 32.7 | 0 | 0 | 0 | 111.6 | K275 D276 N277 V279 F285 T286 K288 | D273-K275 PolarHBondContact O-N 3.47Å; D273-D276 WeakPolarHBondContact O-CA 3.5Å; D273-D276 PolarHBondContact O-N 2.88Å; D273-N277 HydrophobicContact CB-CB 4.31Å; D273-N277 PolarHBondContact N-O 2.8Å; D273-V279 HydrophobicContact CB-CG2 4.1Å; D273-F285 HydrophobicContact CB-CB 4.39Å; D273-T286 CarbonylContact C-O 3.54Å; D273-T286 WeakPolarHBondContact CA-O 3.5Å; D273-T286 WeakPolarHBondContact OD1-CA 3.46Å; D273-T286 WeakPolarHBondContact OD1-CB 3.45Å; D273-T286 PolarHBondContact OD1-N 3.11Å; D273-K288 WeakPolarHBondContact O-CE 3.47Å |
| 274 | I | 76.6 | Confident | 74 | Confident | 32 Ų | 32 | 62 Ų | 62 | 16% | 0.164 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -19.6 | 176.9 | -165.5 | 169.3 | 0 | 0 | 0 | 113.4 | T286 K288 P292 P324 | I274-T286 HydrophobicContact CB-CG2 4.14Å; I274-T286 HydrophobicContact CG2-CG2 3.96Å; I274-T286 PolarHBondContact N-O 3.02Å; I274-K288 PolarHBondContact O-NZ 2.94Å; I274-P292 HydrophobicContact CD1-CB 4.33Å; I274-P324 WeakPolarHBondContact CD1-O 3.28Å |
| 275 | K | 69 | Low | 73.7 | Confident | 148 Ų | 148 | 62.5 Ų | 62.5 | 64% | 0.643 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.1 | 11.3 | 174.8 | -63.8 | 176.7 | -176.4 | 172.5 | 0 | 114.4 | D273 N277 | D273-K275 PolarHBondContact O-N 3.47Å; K275-N277 PolarHBondContact O-N 3.02Å |
| 276 | D | 69.1 | Low | 73.3 | Confident | 116 Ų | 116 | 63.8 Ų | 63.8 | 62% | 0.62 | 33% | 0.331 | S | S | * | . | S | Bend | trans | 65.2 | 21.8 | -177.6 | -60 | -60.7 | 0 | 0 | 0 | 114.4 | D273 K288 | D273-D276 WeakPolarHBondContact O-CA 3.5Å; D273-D276 PolarHBondContact O-N 2.88Å; D276-K288 WeakPolarHBondContact OD1-CE 3.16Å; D276-K288 IonicContact OD1-NZ 3.6Å; D276-K288 PolarHBondContact OD1-NZ 3.43Å; D276-K288 IonicContact OD2-NZ 2.76Å; D276-K288 PolarHBondContact OD2-NZ 3.41Å |
| 277 | N | 68 | Low | 73.1 | Confident | 91 Ų | 91 | 63.2 Ų | 63.2 | 49% | 0.487 | 33% | 0.329 | S | S | . | . | trans | -85.5 | 136.4 | 174.1 | -60.3 | -42.8 | 0 | 0 | 0 | 109.9 | V272 D273 K275 | V272-N277 WeakPolarHBondContact CA-O 3.36Å; D273-N277 HydrophobicContact CB-CB 4.31Å; D273-N277 PolarHBondContact N-O 2.8Å; K275-N277 PolarHBondContact O-N 3.02Å | ||
| 278 | V | 68.7 | Low | 72.5 | Confident | 63 Ų | 63 | 65.7 Ų | 65.7 | 38% | 0.382 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 130.6 | 170.4 | -175.6 | 0 | 0 | 0 | 0 | 108.2 | T270 | T270-V278 HydrophobicContact CG2-CG1 4.14Å |
| 279 | V | 71.1 | Confident | 72.5 | Confident | 20 Ų | 20 | 64.8 Ų | 64.8 | 12% | 0.121 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 132.1 | -180 | -177.6 | 0 | 0 | 0 | 0 | 109.3 | C271 D273 F283 F285 | C271-V279 HydrophobicContact CB-CB 4.32Å; C271-V279 PolarHBondContact O-N 2.81Å; D273-V279 HydrophobicContact CB-CG2 4.1Å; V279-F283 HydrophobicContact CG1-CB 3.52Å; V279-F285 HydrophobicContact CB-CB 3.99Å; V279-F285 HydrophobicContact CG1-CB 4.02Å; V279-F285 HydrophobicContact CG2-CB 3.61Å; V279-F285 HydrophobicContact CG2-CG 4.47Å |
| 280 | D | 65.4 | Low | 72.1 | Confident | 110 Ų | 110 | 70.6 Ų | 70.6 | 59% | 0.588 | 38% | 0.375 | S | S | * | . | trans | -72.3 | 159.8 | 179.6 | -62.9 | -42.2 | 0 | 0 | 0 | 111.7 | G282 F283 | D280-G282 PolarHBondContact O-N 3.04Å; D280-F283 HydrophobicContact CB-CD2 3.68Å; D280-F283 HydrophobicContact CB-CE2 3.98Å; D280-F283 WeakPolarHBondContact O-CB 3.27Å; D280-F283 PolarHBondContact O-N 2.99Å | ||
| 281 | E | 72.3 | Confident | 72.5 | Confident | 106 Ų | 106 | 72.3 Ų | 72.3 | 50% | 0.495 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | 135.3 | 177.3 | -173 | 71.3 | -174.9 | 0 | 0 | 111.7 | F283 H299 G300 | E281-F283 VanDerWaalsContact C-N 3.27Å; E281-F283 WeakPolarHBondContact O-CD2 3.43Å; E281-F283 PolarHBondContact O-N 3.31Å; E281-H299 WeakPolarHBondContact OE1-CA 3.16Å; E281-H299 IonicContact OE1-CE1 2.69Å; E281-H299 IonicContact OE1-CG 3.94Å; E281-H299 IonicContact OE1-ND1 2.65Å; E281-H299 PolarHBondContact OE1-ND1 3.29Å; E281-G300 VanDerWaalsContact CD-N 3.29Å; E281-G300 PolarHBondContact OE1-N 3.07Å; E281-G300 PolarHBondContact OE2-N 2.86Å |
| 282 | G | 68.8 | Low | 72.6 | Confident | 40 Ų | 40 | 72.8 Ų | 72.8 | 41% | 0.412 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.4 | -3.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | D280 C298 | D280-G282 PolarHBondContact O-N 3.04Å; G282-C298 PolarHBondContact N-O 2.88Å |
| 283 | F | 75.8 | Confident | 73.2 | Confident | 126 Ų | 126 | 71 Ų | 71 | 55% | 0.553 | 38% | 0.375 | S | S | * | . | trans | -91.7 | 152.7 | 176.7 | -71.7 | -91.1 | 0 | 0 | 0 | 112.5 | V279 D280 E281 C298 | V279-F283 HydrophobicContact CG1-CB 3.52Å; D280-F283 HydrophobicContact CB-CD2 3.68Å; D280-F283 HydrophobicContact CB-CE2 3.98Å; D280-F283 WeakPolarHBondContact O-CB 3.27Å; D280-F283 PolarHBondContact O-N 2.99Å; E281-F283 VanDerWaalsContact C-N 3.27Å; E281-F283 WeakPolarHBondContact O-CD2 3.43Å; E281-F283 PolarHBondContact O-N 3.31Å; F283-C298 PolarHBondContact O-N 3.48Å | ||
| 284 | Y | 81.7 | Confident | 73.5 | Confident | 157 Ų | 157 | 71.2 Ų | 71.2 | 62% | 0.616 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 135.9 | 177.1 | -65.4 | -92.6 | 0 | 0 | 0 | 111.2 | C296 T297 | Y284-C296 CarbonylContact C-O 3.55Å; Y284-C296 VanDerWaalsContact CA-O 3.27Å; Y284-C296 WeakPolarHBondContact CA-O 3.14Å; Y284-T297 HydrophobicContact CD1-CG2 3.59Å; Y284-T297 HydrophobicContact CD2-CG2 4.42Å; Y284-T297 HydrophobicContact CE1-CG2 3.3Å; Y284-T297 HydrophobicContact CE2-CG2 4.17Å; Y284-T297 HydrophobicContact CG-CG2 4.15Å |
| 285 | F | 82.8 | Confident | 73.8 | Confident | 11 Ų | 11 | 71.8 Ų | 71.8 | 5% | 0.048 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 161.4 | 176.9 | 76.9 | -74.2 | 0 | 0 | 0 | 112 | C271 D273 V279 P287 S295 C296 C298 P303 | C271-F285 HydrophobicContact CB-CD1 3.66Å; C271-F285 HydrophobicContact CB-CD2 3.88Å; C271-F285 HydrophobicContact CB-CE1 3.39Å; C271-F285 HydrophobicContact CB-CE2 3.6Å; C271-F285 HydrophobicContact CB-CG 3.91Å; C271-F285 HydrophobicContact CB-CZ 3.35Å; C271-F285 WeakPolarHBondContact SG-CE1 3.36Å; C271-F285 WeakPolarHBondContact SG-CZ 3.34Å; D273-F285 HydrophobicContact CB-CB 4.39Å; V279-F285 HydrophobicContact CB-CB 3.99Å; V279-F285 HydrophobicContact CG1-CB 4.02Å; V279-F285 HydrophobicContact CG2-CB 3.61Å; V279-F285 HydrophobicContact CG2-CG 4.47Å; F285-P287 HydrophobicContact CE2-CB 3.83Å; F285-P287 HydrophobicContact CZ-CB 4.4Å; F285-S295 WeakPolarHBondContact O-CA 3.34Å; F285-C296 VanDerWaalsContact CD1-O 3.28Å; F285-C296 WeakPolarHBondContact CD1-O 3.07Å; F285-C296 HydrophobicContact CE1-CB 4.17Å; F285-C296 PolarHBondContact N-O 3.47Å; F285-C296 PolarHBondContact O-N 3.39Å; F285-C298 HydrophobicContact CD1-CB 4Å; F285-C298 HydrophobicContact CE1-CB 3.93Å; F285-P303 HydrophobicContact CE1-CB 4.06Å; F285-P303 HydrophobicContact CZ-CB 3.62Å; F285-P303 HydrophobicContact CZ-CG 4.36Å |
| 286 | T | 83.1 | Confident | 74.5 | Confident | 28 Ų | 28 | 64.7 Ų | 64.7 | 17% | 0.172 | 35% | 0.352 | C | S | . | . | trans | -98.4 | 109 | 172.8 | -54 | 0 | 0 | 0 | 0 | 108.4 | D273 I274 L294 | D273-T286 CarbonylContact C-O 3.54Å; D273-T286 WeakPolarHBondContact CA-O 3.5Å; D273-T286 WeakPolarHBondContact OD1-CA 3.46Å; D273-T286 WeakPolarHBondContact OD1-CB 3.45Å; D273-T286 PolarHBondContact OD1-N 3.11Å; I274-T286 HydrophobicContact CB-CG2 4.14Å; I274-T286 HydrophobicContact CG2-CG2 3.96Å; I274-T286 PolarHBondContact N-O 3.02Å; T286-L294 WeakPolarHBondContact CA-O 3.36Å; T286-L294 WeakPolarHBondContact CG2-O 3.32Å | ||
| 287 | P | 81.7 | Confident | 75.1 | Confident | 9 Ų | 9 | 59.6 Ų | 59.6 | 6% | 0.058 | 33% | 0.325 | C | S | . | . | B | Isolated β-bridge | trans | -63.9 | 151.5 | -179.9 | 28.7 | -36 | 0 | 0 | 0 | 111 | F108 F285 G289 L294 | F108-P287 HydrophobicContact CE1-CB 4.44Å; F108-P287 HydrophobicContact CZ-CB 4.17Å; F108-P287 HydrophobicContact CZ-CG 4.13Å; F285-P287 HydrophobicContact CE2-CB 3.83Å; F285-P287 HydrophobicContact CZ-CB 4.4Å; P287-G289 PolarHBondContact O-N 2.86Å; P287-L294 HydrophobicContact CG-CD2 3.72Å; P287-L294 HydrophobicContact CG-CG 4.23Å |
| 288 | K | 71.3 | Confident | 75.6 | Confident | 91 Ų | 91 | 55.3 Ų | 55.3 | 40% | 0.396 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -62.9 | 107.2 | 175 | -68.5 | -81.4 | -177.8 | 178.1 | 0 | 109.8 | D273 I274 D276 | D273-K288 WeakPolarHBondContact O-CE 3.47Å; I274-K288 PolarHBondContact O-NZ 2.94Å; D276-K288 WeakPolarHBondContact OD1-CE 3.16Å; D276-K288 IonicContact OD1-NZ 3.6Å; D276-K288 PolarHBondContact OD1-NZ 3.43Å; D276-K288 IonicContact OD2-NZ 2.76Å; D276-K288 PolarHBondContact OD2-NZ 3.41Å |
| 289 | G | 68.1 | Low | 75.6 | Confident | 49 Ų | 49 | 55.8 Ų | 55.8 | 51% | 0.505 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -166.8 | -171.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | P287 D291 | P287-G289 PolarHBondContact O-N 2.86Å; G289-D291 VanDerWaalsContact C-N 3.33Å |
| 290 | D | 59.7 | Low | 75.1 | Confident | 160 Ų | 160 | 56.8 Ų | 56.8 | 86% | 0.856 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -80.7 | -11.7 | -175.9 | -65.7 | -44.8 | 0 | 0 | 0 | 113.9 | ||
| 291 | D | 70.3 | Confident | 75 | Confident | 77 Ų | 77 | 51.8 Ų | 51.8 | 41% | 0.412 | 29% | 0.289 | S | S | . | . | trans | -114.8 | 103.9 | -179 | -78.2 | -47.6 | 0 | 0 | 0 | 111.7 | G289 C293 L294 K322 | G289-D291 VanDerWaalsContact C-N 3.33Å; D291-C293 PolarHBondContact O-N 3.3Å; D291-L294 PolarHBondContact O-N 2.92Å; D291-K322 IonicContact OD1-NZ 3.35Å; D291-K322 PolarHBondContact OD1-NZ 2.79Å | ||
| 292 | P | 75.8 | Confident | 74.4 | Confident | 13 Ų | 13 | 52.1 Ų | 52.1 | 8% | 0.084 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -0.5 | 176.1 | 31.8 | -37.9 | 0 | 0 | 0 | 113.3 | I274 D323 C327 | I274-P292 HydrophobicContact CD1-CB 4.33Å; P292-D323 WeakPolarHBondContact CG-O 3.43Å; P292-C327 WeakPolarHBondContact O-CB 3.46Å |
| 293 | C | 80.7 | Confident | 74.4 | Confident | 20 Ų | 20 | 51.3 Ų | 51.3 | 14% | 0.135 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | -1.5 | 179.7 | -68.9 | 0 | 0 | 0 | 0 | 113.5 | D291 A308 A309 C311 C327 C328 | D291-C293 PolarHBondContact O-N 3.3Å; C293-A308 WeakPolarHBondContact O-CA 3.34Å; C293-A309 HydrophobicContact CB-CB 4.13Å; C293-A309 PolarHBondContact O-N 3.42Å; C293-C311 PolarHBondContact SG-SG 2.04Å; C293-C327 WeakPolarHBondContact CA-SG 3.32Å; C293-C327 HydrophobicContact CB-CB 4.05Å; C293-C327 WeakPolarHBondContact CB-SG 3.21Å; C293-C327 WeakPolarHBondContact SG-CA 3.3Å; C293-C327 WeakPolarHBondContact SG-CB 3.42Å; C293-C327 CovalentContact SG-SG 2.04Å; C293-C327 PolarHBondContact SG-SG 3.48Å; C293-C328 PolarHBondContact SG-N 2.89Å |
| 294 | L | 83.1 | Confident | 74.3 | Confident | 28 Ų | 28 | 50.3 Ų | 50.3 | 15% | 0.147 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 118.6 | 177.4 | -170.4 | 66.8 | 0 | 0 | 0 | 109.1 | T286 P287 D291 C306 A308 | T286-L294 WeakPolarHBondContact CA-O 3.36Å; T286-L294 WeakPolarHBondContact CG2-O 3.32Å; P287-L294 HydrophobicContact CG-CD2 3.72Å; P287-L294 HydrophobicContact CG-CG 4.23Å; D291-L294 PolarHBondContact O-N 2.92Å; L294-C306 HydrophobicContact CD1-CB 3.89Å; L294-C306 HydrophobicContact CG-CB 4.36Å; L294-A308 HydrophobicContact CD1-CB 4.01Å |
| 295 | S | 84.4 | Confident | 74 | Confident | 44 Ų | 44 | 49.8 Ų | 49.8 | 31% | 0.308 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 124.1 | 173.6 | -174.1 | 0 | 0 | 0 | 0 | 109.1 | F285 C306 V307 | F285-S295 WeakPolarHBondContact O-CA 3.34Å; S295-C306 CarbonylContact O-C 3.55Å; S295-C306 WeakPolarHBondContact O-CA 3.05Å; S295-V307 PolarHBondContact N-O 3.36Å; S295-V307 PolarHBondContact O-N 3.44Å |
| 296 | C | 83.8 | Confident | 74 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 153.7 | -180 | -53.2 | 0 | 0 | 0 | 0 | 109.9 | Y284 F285 P303 E304 C306 | Y284-C296 CarbonylContact C-O 3.55Å; Y284-C296 VanDerWaalsContact CA-O 3.27Å; Y284-C296 WeakPolarHBondContact CA-O 3.14Å; F285-C296 VanDerWaalsContact CD1-O 3.28Å; F285-C296 WeakPolarHBondContact CD1-O 3.07Å; F285-C296 HydrophobicContact CE1-CB 4.17Å; F285-C296 PolarHBondContact N-O 3.47Å; F285-C296 PolarHBondContact O-N 3.39Å; C296-P303 HydrophobicContact CB-CB 3.55Å; C296-E304 WeakPolarHBondContact CB-O 3.19Å; C296-C306 HydrophobicContact CB-CB 4.08Å; C296-C306 WeakPolarHBondContact CB-SG 2.99Å; C296-C306 WeakPolarHBondContact SG-CB 3.31Å; C296-C306 CovalentContact SG-SG 2.04Å; C296-C306 PolarHBondContact SG-SG 2.84Å |
| 297 | T | 80.4 | Confident | 73.9 | Confident | 9 Ų | 9 | 54.9 Ų | 54.9 | 6% | 0.055 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 137.9 | 169.2 | 49.3 | 0 | 0 | 0 | 0 | 109.9 | Y284 H299 E304 | Y284-T297 HydrophobicContact CD1-CG2 3.59Å; Y284-T297 HydrophobicContact CD2-CG2 4.42Å; Y284-T297 HydrophobicContact CE1-CG2 3.3Å; Y284-T297 HydrophobicContact CE2-CG2 4.17Å; Y284-T297 HydrophobicContact CG-CG2 4.15Å; T297-H299 PolarHBondContact O-N 3.37Å; T297-E304 PolarHBondContact N-O 3.38Å; T297-E304 PolarHBondContact O-N 3.38Å; T297-E304 PolarHBondContact OG1-O 3.07Å |
| 298 | C | 78.4 | Confident | 73.9 | Confident | 1 Ų | 1 | 57.1 Ų | 57.1 | 1% | 0.007 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 117.2 | 174.1 | -169.7 | 0 | 0 | 0 | 0 | 110.9 | C271 G282 F283 F285 | C271-C298 HydrophobicContact CB-CB 3.5Å; C271-C298 WeakPolarHBondContact CB-SG 3.49Å; C271-C298 PolarHBondContact N-SG 3.03Å; C271-C298 WeakPolarHBondContact SG-CA 3.05Å; C271-C298 WeakPolarHBondContact SG-CB 3.41Å; C271-C298 CovalentContact SG-SG 2.02Å; C271-C298 PolarHBondContact SG-SG 3.32Å; G282-C298 PolarHBondContact N-O 2.88Å; F283-C298 PolarHBondContact O-N 3.48Å; F285-C298 HydrophobicContact CD1-CB 4Å; F285-C298 HydrophobicContact CE1-CB 3.93Å |
| 299 | H | 68.4 | Low | 74.2 | Confident | 72 Ų | 72 | 55.5 Ų | 55.5 | 33% | 0.333 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 120.5 | 170.5 | -83.1 | -56.4 | 0 | 0 | 0 | 112.3 | E281 T297 G301 E302 E304 | E281-H299 WeakPolarHBondContact OE1-CA 3.16Å; E281-H299 IonicContact OE1-CE1 2.69Å; E281-H299 IonicContact OE1-CG 3.94Å; E281-H299 IonicContact OE1-ND1 2.65Å; E281-H299 PolarHBondContact OE1-ND1 3.29Å; T297-H299 PolarHBondContact O-N 3.37Å; H299-G301 PolarHBondContact O-N 2.89Å; H299-G301 VanDerWaalsContact O-N 3.12Å; H299-E302 PolarHBondContact N-O 2.88Å; H299-E302 PolarHBondContact O-N 2.92Å; H299-E304 HydrophobicContact CB-CB 4.23Å; H299-E304 HydrophobicContact CB-CG 3.91Å; H299-E304 WeakPolarHBondContact CB-OE2 3.03Å; H299-E304 IonicContact CD2-OE2 2.73Å; H299-E304 IonicContact CG-OE2 3.8Å |
| 300 | G | 60.8 | Low | 74.5 | Confident | 41 Ų | 41 | 61.3 Ų | 61.3 | 42% | 0.423 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.7 | 24.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | A126 E281 E302 | A126-G300 WeakPolarHBondContact CB-O 3.34Å; E281-G300 VanDerWaalsContact CD-N 3.29Å; E281-G300 PolarHBondContact OE1-N 3.07Å; E281-G300 PolarHBondContact OE2-N 2.86Å; G300-E302 VanDerWaalsContact C-N 3.28Å; G300-E302 PolarHBondContact O-N 2.83Å |
| 301 | G | 63 | Low | 75.4 | Confident | 6 Ų | 6 | 55.7 Ų | 55.7 | 6% | 0.062 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.9 | 6.4 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q269 C271 H299 | Q269-G301 VanDerWaalsContact C-CA 3.46Å; Q269-G301 WeakPolarHBondContact CG-O 3.04Å; Q269-G301 PolarHBondContact NE2-O 2.93Å; Q269-G301 WeakPolarHBondContact O-CA 3.38Å; Q269-G301 PolarHBondContact O-N 2.97Å; C271-G301 VanDerWaalsContact SG-C 3.56Å; H299-G301 PolarHBondContact O-N 2.89Å; H299-G301 VanDerWaalsContact O-N 3.12Å |
| 302 | E | 59.7 | Low | 75.7 | Confident | 112 Ų | 112 | 60.5 Ų | 60.5 | 52% | 0.523 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 148.4 | 172.3 | -65.4 | -161.3 | 150.5 | 0 | 0 | 111.6 | H299 G300 E304 | H299-E302 PolarHBondContact N-O 2.88Å; H299-E302 PolarHBondContact O-N 2.92Å; G300-E302 VanDerWaalsContact C-N 3.28Å; G300-E302 PolarHBondContact O-N 2.83Å; E302-E304 PolarHBondContact O-N 3Å |
| 303 | P | 69.3 | Low | 75.6 | Confident | 23 Ų | 23 | 66.7 Ų | 66.7 | 15% | 0.149 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 109.7 | 169.7 | 26.9 | -30.7 | 0 | 0 | 0 | 110.6 | F108 F285 C296 | F108-P303 HydrophobicContact CD1-CG 4.47Å; F108-P303 HydrophobicContact CD2-CG 3.77Å; F108-P303 HydrophobicContact CE1-CG 4.03Å; F108-P303 HydrophobicContact CE2-CB 3.97Å; F108-P303 HydrophobicContact CE2-CG 3.25Å; F108-P303 HydrophobicContact CG-CG 4.36Å; F108-P303 HydrophobicContact CZ-CB 4.11Å; F108-P303 HydrophobicContact CZ-CG 3.4Å; F108-P303 VanDerWaalsContact CZ-CG 3.4Å; F285-P303 HydrophobicContact CE1-CB 4.06Å; F285-P303 HydrophobicContact CZ-CB 3.62Å; F285-P303 HydrophobicContact CZ-CG 4.36Å; C296-P303 HydrophobicContact CB-CB 3.55Å |
| 304 | E | 74.1 | Confident | 75.1 | Confident | 106 Ų | 106 | 67.6 Ų | 67.6 | 50% | 0.495 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 166.5 | 168.2 | -70.3 | -163.9 | 160.8 | 0 | 0 | 111.4 | C296 T297 H299 E302 C306 | C296-E304 WeakPolarHBondContact CB-O 3.19Å; T297-E304 PolarHBondContact N-O 3.38Å; T297-E304 PolarHBondContact O-N 3.38Å; T297-E304 PolarHBondContact OG1-O 3.07Å; H299-E304 HydrophobicContact CB-CB 4.23Å; H299-E304 HydrophobicContact CB-CG 3.91Å; H299-E304 WeakPolarHBondContact CB-OE2 3.03Å; H299-E304 IonicContact CD2-OE2 2.73Å; H299-E304 IonicContact CG-OE2 3.8Å; E302-E304 PolarHBondContact O-N 3Å; E304-C306 VanDerWaalsContact C-N 3.31Å; E304-C306 PolarHBondContact O-N 3.35Å; E304-C306 VanDerWaalsContact O-N 3.15Å |
| 305 | M | 75.6 | Confident | 74.4 | Confident | 145 Ų | 145 | 75.6 Ų | 75.6 | 71% | 0.714 | 41% | 0.412 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 46.3 | 49.2 | 174.2 | -159.5 | 175.5 | -68.7 | 0 | 0 | 114.2 | V307 | M305-V307 PolarHBondContact O-N 2.98Å |
| 306 | C | 81.7 | Confident | 73.6 | Confident | 50 Ų | 50 | 77.6 Ų | 77.6 | 34% | 0.338 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 127.6 | -177.3 | -64.8 | 0 | 0 | 0 | 0 | 112.9 | L294 S295 C296 E304 | L294-C306 HydrophobicContact CD1-CB 3.89Å; L294-C306 HydrophobicContact CG-CB 4.36Å; S295-C306 CarbonylContact O-C 3.55Å; S295-C306 WeakPolarHBondContact O-CA 3.05Å; C296-C306 HydrophobicContact CB-CB 4.08Å; C296-C306 WeakPolarHBondContact CB-SG 2.99Å; C296-C306 WeakPolarHBondContact SG-CB 3.31Å; C296-C306 CovalentContact SG-SG 2.04Å; C296-C306 PolarHBondContact SG-SG 2.84Å; E304-C306 VanDerWaalsContact C-N 3.31Å; E304-C306 PolarHBondContact O-N 3.35Å; E304-C306 VanDerWaalsContact O-N 3.15Å |
| 307 | V | 81 | Confident | 73.1 | Confident | 97 Ų | 97 | 78.2 Ų | 78.2 | 59% | 0.588 | 44% | 0.443 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 127.2 | 174.4 | -175 | 0 | 0 | 0 | 0 | 109.3 | S295 M305 | S295-V307 PolarHBondContact N-O 3.36Å; S295-V307 PolarHBondContact O-N 3.44Å; M305-V307 PolarHBondContact O-N 2.98Å |
| 308 | A | 81.6 | Confident | 72.7 | Confident | 56 Ų | 56 | 86.5 Ų | 86.5 | 46% | 0.463 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 127.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | C293 L294 L310 | C293-A308 WeakPolarHBondContact O-CA 3.34Å; L294-A308 HydrophobicContact CD1-CB 4.01Å; A308-L310 PolarHBondContact O-N 2.02Å |
| 309 | A | 79.1 | Confident | 72.4 | Confident | 56 Ų | 56 | 91.6 Ų | 91.6 | 46% | 0.463 | 51% | 0.505 | S | S | . | . | trans | -70.2 | 122.2 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110 | C293 C311 | C293-A309 HydrophobicContact CB-CB 4.13Å; C293-A309 PolarHBondContact O-N 3.42Å; A309-C311 PolarHBondContact O-N 3.34Å | ||
| 310 | L | 74.4 | Confident | 72.6 | Confident | 172 Ų | 172 | 91.1 Ų | 91.1 | 90% | 0.901 | 50% | 0.501 | S | S | * | . | trans | -81.4 | 113.1 | 174.2 | -70.1 | 169.5 | 0 | 0 | 0 | 109.3 | A308 | A308-L310 PolarHBondContact O-N 2.02Š| ||
| 311 | C | 77.7 | Confident | 73.2 | Confident | 41 Ų | 41 | 96.8 Ų | 96.8 | 28% | 0.277 | 51% | 0.509 | S | S | . | . | P | Polyproline II helix | trans | -93.1 | 132.7 | 177.2 | -50 | 0 | 0 | 0 | 0 | 110.5 | C293 A309 C328 F330 | C293-C311 PolarHBondContact SG-SG 2.04Å; A309-C311 PolarHBondContact O-N 3.34Å; C311-C328 HydrophobicContact CB-CB 3.65Å; C311-C328 WeakPolarHBondContact CB-SG 3.49Å; C311-C328 WeakPolarHBondContact SG-CA 3.49Å; C311-C328 WeakPolarHBondContact SG-CB 3.37Å; C311-C328 PolarHBondContact SG-N 2.75Å; C311-C328 VanDerWaalsContact SG-N 3.42Å; C311-C328 CovalentContact SG-SG 2.02Å; C311-C328 PolarHBondContact SG-SG 3.03Å; C311-F330 HydrophobicContact CB-CE2 3.84Å; C311-F330 HydrophobicContact CB-CZ 3.64Å |
| 312 | E | 76.8 | Confident | 73.7 | Confident | 179 Ų | 179 | 101.5 Ų | 101.5 | 84% | 0.836 | 53% | 0.528 | S | S | * | . | P | Polyproline II helix | trans | -68.3 | 137.4 | 170.7 | -68.2 | -178 | 178.3 | 0 | 0 | 110.5 | F330 | E312-F330 VanDerWaalsContact O-CE2 3.31Å; E312-F330 WeakPolarHBondContact O-CE2 3.46Å |
| 313 | R | 73.2 | Confident | 74.3 | Confident | 143 Ų | 143 | 97.6 Ų | 97.6 | 54% | 0.54 | 51% | 0.511 | S | S | . | . | P | Polyproline II helix | trans | -66.1 | 137.9 | 178.3 | 179.4 | -176.3 | -70.6 | 164.9 | -5.3 | 110 | Q315 Y320 | R313-Q315 PolarHBondContact O-N 3.33Å; R313-Y320 HydrophobicContact CG-CD1 4.21Å; R313-Y320 HydrophobicContact CG-CE1 3.79Å; R313-Y320 PolarHBondContact NE-OH 2.93Å; R313-Y320 VanDerWaalsContact NE-OH 3.08Å; R313-Y320 PolarHBondContact NH2-OH 2.7Å; R313-Y320 VanDerWaalsContact NH2-OH 3.09Å |
| 314 | P | 70.7 | Confident | 74.3 | Confident | 39 Ų | 39 | 100.9 Ų | 100.9 | 25% | 0.253 | 53% | 0.532 | S | S | . | . | P | Polyproline II helix | trans | -58.4 | 125.9 | 173.2 | 23.4 | -33.7 | 0 | 0 | 0 | 110.6 | C317 F330 | P314-C317 HydrophobicContact CG-CB 4.35Å; P314-F330 HydrophobicContact CG-CB 3.74Å; P314-F330 HydrophobicContact CG-CD2 4.23Å; P314-F330 HydrophobicContact CG-CG 3.97Å |
| 315 | Q | 68.3 | Low | 74 | Confident | 196 Ų | 196 | 103.9 Ų | 103.9 | 92% | 0.916 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | 128.5 | 179.4 | -59.1 | -133.9 | -11.1 | 0 | 0 | 110 | R313 | R313-Q315 PolarHBondContact O-N 3.33Š|
| 316 | G | 67.6 | Low | 73.9 | Confident | 86 Ų | 86 | 101.9 Ų | 101.9 | 89% | 0.887 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 98.9 | 12.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 317 | C | 74.3 | Confident | 73.7 | Confident | 13 Ų | 13 | 102.1 Ų | 102.1 | 9% | 0.088 | 53% | 0.534 | C | S | . | . | trans | -125 | 114.2 | -178.7 | -164.8 | 0 | 0 | 0 | 0 | 110.3 | P314 Q319 C332 D334 | P314-C317 HydrophobicContact CG-CB 4.35Å; C317-Q319 PolarHBondContact SG-O 3.09Å; C317-Q319 VanDerWaalsContact SG-O 3.35Å; C317-C332 HydrophobicContact CB-CB 4.28Å; C317-C332 WeakPolarHBondContact CB-SG 2.91Å; C317-C332 WeakPolarHBondContact SG-CA 3.31Å; C317-C332 WeakPolarHBondContact SG-CB 3.42Å; C317-C332 CovalentContact SG-SG 2.03Å; C317-C332 PolarHBondContact SG-SG 2.98Å; C317-D334 WeakPolarHBondContact CA-OD2 3.35Å | ||
| 318 | Q | 70.8 | Confident | 73.5 | Confident | 182 Ų | 182 | 100.5 Ų | 100.5 | 85% | 0.85 | 53% | 0.526 | S | S | * | . | S | Bend | trans | -77.3 | -41.5 | -179.9 | -70 | -90.5 | -6.8 | 0 | 0 | 110.1 | D334 | Q318-D334 PolarHBondContact N-OD2 3.37Š|
| 319 | Q | 71.4 | Confident | 73.3 | Confident | 108 Ų | 108 | 102.5 Ų | 102.5 | 51% | 0.505 | 53% | 0.525 | S | S | . | . | S | Bend | trans | -120.3 | 112.9 | 177 | -162.8 | 159 | 4.8 | 0 | 0 | 111.5 | C317 L333 D334 | C317-Q319 PolarHBondContact SG-O 3.09Å; C317-Q319 VanDerWaalsContact SG-O 3.35Å; Q319-L333 HydrophobicContact CB-CB 4.5Å; Q319-L333 HydrophobicContact CG-CB 4.3Å; Q319-L333 PolarHBondContact O-N 3.48Å; Q319-D334 WeakPolarHBondContact CB-OD1 2.93Å; Q319-D334 PolarHBondContact N-OD1 2.78Å; Q319-D334 PolarHBondContact N-OD2 3.08Å |
| 320 | Y | 73.2 | Confident | 73.2 | Confident | 63 Ų | 63 | 102.1 Ų | 102.1 | 25% | 0.247 | 51% | 0.513 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 149.7 | 178.7 | 64.4 | -86.7 | 0 | 0 | 0 | 111.6 | R313 F330 M331 | R313-Y320 HydrophobicContact CG-CD1 4.21Å; R313-Y320 HydrophobicContact CG-CE1 3.79Å; R313-Y320 PolarHBondContact NE-OH 2.93Å; R313-Y320 VanDerWaalsContact NE-OH 3.08Å; R313-Y320 PolarHBondContact NH2-OH 2.7Å; R313-Y320 VanDerWaalsContact NH2-OH 3.09Å; Y320-F330 AromaticContact CD2-CD1 3.56Å; Y320-F330 HydrophobicContact CD2-CD1 3.56Å; Y320-F330 HydrophobicContact CD2-CE1 4.02Å; Y320-F330 AromaticContact CE2-CD1 3.93Å; Y320-F330 HydrophobicContact CE2-CD1 3.93Å; Y320-F330 AromaticContact CE2-CE1 3.88Å; Y320-F330 HydrophobicContact CE2-CE1 3.88Å; Y320-F330 HydrophobicContact CG-CD1 4.47Å; Y320-M331 CarbonylContact C-O 3.48Å; Y320-M331 VanDerWaalsContact CA-O 3.25Å; Y320-M331 WeakPolarHBondContact CA-O 3.49Å |
| 321 | R | 74.3 | Confident | 73.2 | Confident | 159 Ų | 159 | 98.6 Ų | 98.6 | 60% | 0.6 | 49% | 0.493 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 132 | 170.7 | 179.2 | -179.3 | -75.1 | -173.1 | -2.8 | 108.5 | F330 M331 L333 | R321-F330 WeakPolarHBondContact O-CA 3.25Å; R321-M331 PolarHBondContact N-O 3.14Å; R321-M331 PolarHBondContact O-N 3.26Å; R321-L333 HydrophobicContact CB-CD1 3.8Å; R321-L333 HydrophobicContact CB-CG 4.27Å |
| 322 | K | 72.5 | Confident | 73.2 | Confident | 105 Ų | 105 | 100.2 Ų | 100.2 | 46% | 0.457 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 138.9 | 170.4 | -66.8 | 179.3 | 177.6 | 178.8 | 0 | 109.2 | D291 F330 | D291-K322 IonicContact OD1-NZ 3.35Å; D291-K322 PolarHBondContact OD1-NZ 2.79Å; K322-F330 HydrophobicContact CG-CD1 4.01Å; K322-F330 HydrophobicContact CG-CE1 3.85Å |
| 323 | D | 72.6 | Confident | 73.1 | Confident | 31 Ų | 31 | 95.5 Ų | 95.5 | 17% | 0.166 | 48% | 0.484 | C | S | . | . | trans | -67.1 | 133 | 170.3 | -92.3 | -58.6 | 0 | 0 | 0 | 110.2 | P292 K325 K329 | P292-D323 WeakPolarHBondContact CG-O 3.43Å; D323-K325 PolarHBondContact O-N 2.79Å; D323-K329 HydrophobicContact CB-CB 4.08Å; D323-K329 HydrophobicContact CB-CD 4.47Å; D323-K329 HydrophobicContact CB-CG 4.46Å; D323-K329 PolarHBondContact N-O 2.73Å; D323-K329 WeakPolarHBondContact OD2-CD 3.13Å; D323-K329 WeakPolarHBondContact OD2-CE 3.08Å; D323-K329 WeakPolarHBondContact OD2-CG 3.42Å | ||
| 324 | P | 69.8 | Low | 73 | Confident | 91 Ų | 91 | 91 Ų | 91 | 59% | 0.591 | 47% | 0.471 | S | S | * | . | S | Bend | trans | -75.7 | -5.4 | -177.5 | 29 | -34.4 | 0 | 0 | 0 | 113.9 | I274 | I274-P324 WeakPolarHBondContact CD1-O 3.28Š|
| 325 | K | 67.7 | Low | 72.5 | Confident | 170 Ų | 170 | 95 Ų | 95 | 74% | 0.739 | 50% | 0.497 | S | S | * | . | S | Bend | trans | -122.2 | -16.3 | -173.4 | -66.3 | -174.6 | 179.2 | -176 | 0 | 114.6 | D323 | D323-K325 PolarHBondContact O-N 2.79Š|
| 326 | E | 73.6 | Confident | 71.9 | Confident | 103 Ų | 103 | 92.7 Ų | 92.7 | 48% | 0.481 | 49% | 0.491 | S | S | . | . | S | Bend | trans | -129.4 | 127.2 | -174.5 | -74.7 | 178.4 | -165 | 0 | 0 | 109.8 | K329 | E326-K329 HydrophobicContact CB-CB 4.06Å; E326-K329 HydrophobicContact CB-CD 4.15Å; E326-K329 IonicContact OE1-NZ 3.51Å; E326-K329 WeakPolarHBondContact OE2-CD 3.43Å; E326-K329 WeakPolarHBondContact OE2-CE 2.9Å; E326-K329 IonicContact OE2-NZ 2.69Å; E326-K329 PolarHBondContact OE2-NZ 3.38Å |
| 327 | C | 76.6 | Confident | 71.3 | Confident | 54 Ų | 54 | 91.6 Ų | 91.6 | 37% | 0.365 | 48% | 0.479 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | 140.4 | 176.6 | 179 | 0 | 0 | 0 | 0 | 111.3 | P292 C293 K329 | P292-C327 WeakPolarHBondContact O-CB 3.46Å; C293-C327 WeakPolarHBondContact CA-SG 3.32Å; C293-C327 HydrophobicContact CB-CB 4.05Å; C293-C327 WeakPolarHBondContact CB-SG 3.21Å; C293-C327 WeakPolarHBondContact SG-CA 3.3Å; C293-C327 WeakPolarHBondContact SG-CB 3.42Å; C293-C327 CovalentContact SG-SG 2.04Å; C293-C327 PolarHBondContact SG-SG 3.48Å; C327-K329 PolarHBondContact O-N 3.25Å; C327-K329 VanDerWaalsContact O-N 3.14Å |
| 328 | C | 76.3 | Confident | 70.5 | Confident | 64 Ų | 64 | 98.1 Ų | 98.1 | 43% | 0.432 | 51% | 0.513 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.2 | 18.3 | 178.8 | -57.1 | 0 | 0 | 0 | 0 | 116.2 | C293 C311 F330 | C293-C328 PolarHBondContact SG-N 2.89Å; C311-C328 HydrophobicContact CB-CB 3.65Å; C311-C328 WeakPolarHBondContact CB-SG 3.49Å; C311-C328 WeakPolarHBondContact SG-CA 3.49Å; C311-C328 WeakPolarHBondContact SG-CB 3.37Å; C311-C328 PolarHBondContact SG-N 2.75Å; C311-C328 VanDerWaalsContact SG-N 3.42Å; C311-C328 CovalentContact SG-SG 2.02Å; C311-C328 PolarHBondContact SG-SG 3.03Å; C328-F330 WeakPolarHBondContact O-CD2 3.35Å |
| 329 | K | 78.6 | Confident | 69.6 | Low | 97 Ų | 97 | 94 Ų | 94 | 42% | 0.422 | 50% | 0.504 | S | S | . | . | trans | -100.2 | 126.6 | 172.2 | -165.6 | 177.6 | 172 | -179 | 0 | 110.6 | D323 E326 C327 | D323-K329 HydrophobicContact CB-CB 4.08Å; D323-K329 HydrophobicContact CB-CD 4.47Å; D323-K329 HydrophobicContact CB-CG 4.46Å; D323-K329 PolarHBondContact N-O 2.73Å; D323-K329 WeakPolarHBondContact OD2-CD 3.13Å; D323-K329 WeakPolarHBondContact OD2-CE 3.08Å; D323-K329 WeakPolarHBondContact OD2-CG 3.42Å; E326-K329 HydrophobicContact CB-CB 4.06Å; E326-K329 HydrophobicContact CB-CD 4.15Å; E326-K329 IonicContact OE1-NZ 3.51Å; E326-K329 WeakPolarHBondContact OE2-CD 3.43Å; E326-K329 WeakPolarHBondContact OE2-CE 2.9Å; E326-K329 IonicContact OE2-NZ 2.69Å; E326-K329 PolarHBondContact OE2-NZ 3.38Å; C327-K329 PolarHBondContact O-N 3.25Å; C327-K329 VanDerWaalsContact O-N 3.14Å | ||
| 330 | F | 76.9 | Confident | 68.8 | Low | 48 Ų | 48 | 93.9 Ų | 93.9 | 21% | 0.211 | 51% | 0.506 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 134.8 | -175.6 | -58.5 | -84.9 | 0 | 0 | 0 | 109.6 | C311 E312 P314 Y320 R321 K322 C328 | C311-F330 HydrophobicContact CB-CE2 3.84Å; C311-F330 HydrophobicContact CB-CZ 3.64Å; E312-F330 VanDerWaalsContact O-CE2 3.31Å; E312-F330 WeakPolarHBondContact O-CE2 3.46Å; P314-F330 HydrophobicContact CG-CB 3.74Å; P314-F330 HydrophobicContact CG-CD2 4.23Å; P314-F330 HydrophobicContact CG-CG 3.97Å; Y320-F330 AromaticContact CD2-CD1 3.56Å; Y320-F330 HydrophobicContact CD2-CD1 3.56Å; Y320-F330 HydrophobicContact CD2-CE1 4.02Å; Y320-F330 AromaticContact CE2-CD1 3.93Å; Y320-F330 HydrophobicContact CE2-CD1 3.93Å; Y320-F330 AromaticContact CE2-CE1 3.88Å; Y320-F330 HydrophobicContact CE2-CE1 3.88Å; Y320-F330 HydrophobicContact CG-CD1 4.47Å; R321-F330 WeakPolarHBondContact O-CA 3.25Å; K322-F330 HydrophobicContact CG-CD1 4.01Å; K322-F330 HydrophobicContact CG-CE1 3.85Å; C328-F330 WeakPolarHBondContact O-CD2 3.35Å |
| 331 | M | 73.7 | Confident | 67.6 | Low | 98 Ų | 98 | 99.1 Ų | 99.1 | 48% | 0.483 | 53% | 0.531 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 127.5 | 170.1 | -63.6 | -173.4 | 69.8 | 0 | 0 | 109.3 | Y320 R321 | Y320-M331 CarbonylContact C-O 3.48Å; Y320-M331 VanDerWaalsContact CA-O 3.25Å; Y320-M331 WeakPolarHBondContact CA-O 3.49Å; R321-M331 PolarHBondContact N-O 3.14Å; R321-M331 PolarHBondContact O-N 3.26Å |
| 332 | C | 78.9 | Confident | 66.6 | Low | 76 Ų | 76 | 98 Ų | 98 | 51% | 0.514 | 54% | 0.537 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 131.4 | 171.5 | -75.2 | 0 | 0 | 0 | 0 | 111 | C317 | C317-C332 HydrophobicContact CB-CB 4.28Å; C317-C332 WeakPolarHBondContact CB-SG 2.91Å; C317-C332 WeakPolarHBondContact SG-CA 3.31Å; C317-C332 WeakPolarHBondContact SG-CB 3.42Å; C317-C332 CovalentContact SG-SG 2.03Å; C317-C332 PolarHBondContact SG-SG 2.98Å |
| 333 | L | 74.4 | Confident | 65.7 | Low | 80 Ų | 80 | 97 Ų | 97 | 42% | 0.419 | 54% | 0.543 | S | S | . | . | trans | -106.5 | 3.2 | -179.5 | -67.1 | 173.5 | 0 | 0 | 0 | 112.5 | Q319 R321 | Q319-L333 HydrophobicContact CB-CB 4.5Å; Q319-L333 HydrophobicContact CG-CB 4.3Å; Q319-L333 PolarHBondContact O-N 3.48Å; R321-L333 HydrophobicContact CB-CD1 3.8Å; R321-L333 HydrophobicContact CB-CG 4.27Å | ||
| 334 | D | 69.9 | Low | 64.7 | Low | 48 Ų | 48 | 100.6 Ų | 100.6 | 26% | 0.257 | 56% | 0.56 | S | S | . | * | trans | -63.9 | 127.8 | 179.9 | -67.4 | -32.5 | 0 | 0 | 0 | 110.4 | C317 Q318 Q319 D336 | C317-D334 WeakPolarHBondContact CA-OD2 3.35Å; Q318-D334 PolarHBondContact N-OD2 3.37Å; Q319-D334 WeakPolarHBondContact CB-OD1 2.93Å; Q319-D334 PolarHBondContact N-OD1 2.78Å; Q319-D334 PolarHBondContact N-OD2 3.08Å; D334-D336 PolarHBondContact O-N 2.03Å | ||
| 335 | P | 61.7 | Low | 64.1 | Low | 124 Ų | 124 | 97.7 Ų | 97.7 | 81% | 0.805 | 54% | 0.544 | S | S | * | . | S | Bend | trans | -71.8 | -15.5 | -179.3 | 28.3 | -33.5 | 0 | 0 | 0 | 113 | G337 | P335-G337 PolarHBondContact O-N 2.84Å; P335-G337 VanDerWaalsContact O-N 3.11Å |
| 336 | D | 54.3 | Low | 63.7 | Low | 147 Ų | 147 | 92.9 Ų | 92.9 | 79% | 0.786 | 53% | 0.531 | S | S | * | . | trans | -89.3 | 61.8 | 173.6 | -65.7 | -33.5 | 0 | 0 | 0 | 110.2 | D334 N338 | D334-D336 PolarHBondContact O-N 2.03Å; D336-N338 PolarHBondContact O-N 3.35Å | ||
| 337 | G | 56.5 | Low | 63.3 | Low | 62 Ų | 62 | 89.5 Ų | 89.5 | 64% | 0.639 | 53% | 0.525 | S | S | * | . | trans | -59.3 | 119.6 | 161.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | P335 | P335-G337 PolarHBondContact O-N 2.84Å; P335-G337 VanDerWaalsContact O-N 3.11Å | ||
| 338 | N | 57.4 | Low | 63 | Low | 151 Ų | 151 | 93.1 Ų | 93.1 | 81% | 0.807 | 54% | 0.538 | S | S | * | . | trans | 76.5 | 109.1 | -179.5 | -61.4 | -0.4 | 0 | 0 | 0 | 115.4 | D336 | D336-N338 PolarHBondContact O-N 3.35Š| ||
| 339 | S | 51.9 | Low | 62.7 | Low | 94 Ų | 94 | 98.3 Ų | 98.3 | 66% | 0.657 | 55% | 0.548 | S | S | * | . | 158.9 | 96.9 | 110.4 | 51.8 | 0 | 0 | 0 | 0 | 111 | |||||
| 340 | L | 53 | Low | 62.6 | Low | 106 Ų | 106 | 99.2 Ų | 99.2 | 56% | 0.555 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -164.4 | -50.3 | 135.7 | -131.3 | 101.6 | 0 | 0 | 0 | 111 | M344 | L340-M344 HydrophobicContact CD2-CE 3.41Å; L340-M344 VanDerWaalsContact CD2-CE 3.41Å; L340-M344 HydrophobicContact CD2-SD 4.08Å; L340-M344 HydrophobicContact CG-CE 3.76Å; L340-M344 WeakPolarHBondContact O-CB 3.49Å; L340-M344 WeakPolarHBondContact O-CG 2.96Å; L340-M344 PolarHBondContact O-N 3.17Å; L340-M344 VanDerWaalsContact O-N 3.12Å |
| 341 | F | 49.7 | Very low | 62.7 | Low | 173 Ų | 173 | 100.9 Ų | 100.9 | 76% | 0.759 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -77.9 | -37.4 | -169.9 | -88.2 | -86.2 | 0 | 0 | 0 | 114.3 | M344 A345 | F341-M344 PolarHBondContact O-N 2.94Å; F341-A345 WeakPolarHBondContact O-CB 3.09Å; F341-A345 PolarHBondContact O-N 3.4Å |
| 342 | D | 52.8 | Low | 63.1 | Low | 136 Ų | 136 | 100.6 Ų | 100.6 | 73% | 0.727 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -76.1 | -31.1 | 178.5 | -108.1 | -20 | 0 | 0 | 0 | 113.5 | A345 S346 | D342-A345 PolarHBondContact O-N 3.12Å; D342-S346 WeakPolarHBondContact O-CB 3.34Å; D342-S346 PolarHBondContact O-N 3.34Å |
| 343 | S | 52.5 | Low | 63.4 | Low | 84 Ų | 84 | 100.4 Ų | 100.4 | 59% | 0.587 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -70.9 | -33.5 | 170.7 | -68.1 | 0 | 0 | 0 | 0 | 112 | G347 | S343-G347 WeakPolarHBondContact O-CA 3.15Å; S343-G347 PolarHBondContact O-N 3.11Å |
| 344 | M | 52.3 | Low | 64.1 | Low | 106 Ų | 106 | 99.6 Ų | 99.6 | 52% | 0.522 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -70.2 | -38.3 | 172.7 | -72.6 | 179.5 | -176.6 | 0 | 0 | 111.6 | L340 F341 M348 | L340-M344 HydrophobicContact CD2-CE 3.41Å; L340-M344 VanDerWaalsContact CD2-CE 3.41Å; L340-M344 HydrophobicContact CD2-SD 4.08Å; L340-M344 HydrophobicContact CG-CE 3.76Å; L340-M344 WeakPolarHBondContact O-CB 3.49Å; L340-M344 WeakPolarHBondContact O-CG 2.96Å; L340-M344 PolarHBondContact O-N 3.17Å; L340-M344 VanDerWaalsContact O-N 3.12Å; F341-M344 PolarHBondContact O-N 2.94Å; M344-M348 WeakPolarHBondContact O-CB 3.38Å; M344-M348 WeakPolarHBondContact O-CG 3.12Å; M344-M348 PolarHBondContact O-N 3.26Å |
| 345 | A | 56.7 | Low | 65.1 | Low | 31 Ų | 31 | 101.7 Ų | 101.7 | 26% | 0.256 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -69 | -42.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | F341 D342 R349 | F341-A345 WeakPolarHBondContact O-CB 3.09Å; F341-A345 PolarHBondContact O-N 3.4Å; D342-A345 PolarHBondContact O-N 3.12Å; A345-R349 WeakPolarHBondContact O-CB 3.43Å; A345-R349 WeakPolarHBondContact O-CD 3.31Å; A345-R349 WeakPolarHBondContact O-CG 3.32Å; A345-R349 PolarHBondContact O-N 3.35Å; A345-R349 VanDerWaalsContact O-N 3.16Å |
| 346 | S | 59.9 | Low | 66.5 | Low | 68 Ų | 68 | 98.2 Ų | 98.2 | 48% | 0.476 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -76.6 | -39.8 | -180 | -160.1 | 0 | 0 | 0 | 0 | 112.5 | D342 R349 L350 | D342-S346 WeakPolarHBondContact O-CB 3.34Å; D342-S346 PolarHBondContact O-N 3.34Å; S346-R349 PolarHBondContact O-N 2.85Å; S346-L350 PolarHBondContact O-N 3.47Å |
| 347 | G | 65 | Low | 68.3 | Low | 33 Ų | 33 | 94 Ų | 94 | 34% | 0.34 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.4 | -43.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112.8 | S343 R349 L350 V351 | S343-G347 WeakPolarHBondContact O-CA 3.15Å; S343-G347 PolarHBondContact O-N 3.11Å; G347-R349 PolarHBondContact O-N 3.36Å; G347-L350 PolarHBondContact O-N 3Å; G347-V351 VanDerWaalsContact O-CG2 3.31Å; G347-V351 WeakPolarHBondContact O-CG2 3.23Å; G347-V351 PolarHBondContact O-N 3.16Å |
| 348 | M | 70.2 | Confident | 70.1 | Confident | 130 Ų | 130 | 98 Ų | 98 | 64% | 0.64 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -65.5 | -37.1 | 175.1 | -70.3 | -90.5 | -77.9 | 0 | 0 | 111.7 | M344 V351 V352 | M344-M348 WeakPolarHBondContact O-CB 3.38Å; M344-M348 WeakPolarHBondContact O-CG 3.12Å; M344-M348 PolarHBondContact O-N 3.26Å; M348-V351 PolarHBondContact O-N 2.86Å; M348-V352 WeakPolarHBondContact O-CB 3.2Å; M348-V352 WeakPolarHBondContact O-CG2 3.35Å; M348-V352 PolarHBondContact O-N 2.93Å |
| 349 | R | 71.3 | Confident | 71.8 | Confident | 173 Ų | 173 | 95.7 Ų | 95.7 | 65% | 0.653 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -64.4 | -39.6 | 175.4 | -76.2 | 170 | -171.8 | 142.8 | 1.1 | 112.4 | A345 S346 G347 S353 | A345-R349 WeakPolarHBondContact O-CB 3.43Å; A345-R349 WeakPolarHBondContact O-CD 3.31Å; A345-R349 WeakPolarHBondContact O-CG 3.32Å; A345-R349 PolarHBondContact O-N 3.35Å; A345-R349 VanDerWaalsContact O-N 3.16Å; S346-R349 PolarHBondContact O-N 2.85Å; G347-R349 PolarHBondContact O-N 3.36Å; R349-S353 VanDerWaalsContact O-CB 3.23Å; R349-S353 WeakPolarHBondContact O-CB 3.4Å; R349-S353 PolarHBondContact O-N 2.88Å |
| 350 | L | 75.9 | Confident | 73.8 | Confident | 115 Ų | 115 | 96 Ų | 96 | 60% | 0.602 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -65.7 | -43.9 | 173.6 | -74.4 | 174.9 | 0 | 0 | 0 | 111.9 | S346 G347 S353 C354 | S346-L350 PolarHBondContact O-N 3.47Å; G347-L350 PolarHBondContact O-N 3Å; L350-S353 PolarHBondContact O-N 3.44Å; L350-C354 WeakPolarHBondContact O-CB 3.25Å; L350-C354 PolarHBondContact O-N 3.33Å; L350-C354 PolarHBondContact O-SG 2.78Å |
| 351 | V | 79.2 | Confident | 75.7 | Confident | 83 Ų | 83 | 95.9 Ų | 95.9 | 50% | 0.503 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.5 | -45 | 177.6 | 173.3 | 0 | 0 | 0 | 0 | 111.1 | G347 M348 C354 I355 | G347-V351 VanDerWaalsContact O-CG2 3.31Å; G347-V351 WeakPolarHBondContact O-CG2 3.23Å; G347-V351 PolarHBondContact O-N 3.16Å; M348-V351 PolarHBondContact O-N 2.86Å; V351-C354 PolarHBondContact O-N 2.87Å; V351-I355 HydrophobicContact CG1-CD1 3.67Å; V351-I355 HydrophobicContact CG1-CG1 4.41Å; V351-I355 WeakPolarHBondContact O-CB 3.38Å; V351-I355 VanDerWaalsContact O-CG1 3.25Å; V351-I355 WeakPolarHBondContact O-CG1 3.28Å; V351-I355 PolarHBondContact O-N 3.29Å |
| 352 | V | 82.6 | Confident | 77.8 | Confident | 93 Ų | 93 | 90.4 Ų | 90.4 | 56% | 0.564 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65 | -40.6 | 176.9 | 172.5 | 0 | 0 | 0 | 0 | 111.2 | M348 I355 S356 | M348-V352 WeakPolarHBondContact O-CB 3.2Å; M348-V352 WeakPolarHBondContact O-CG2 3.35Å; M348-V352 PolarHBondContact O-N 2.93Å; V352-I355 PolarHBondContact O-N 3.49Å; V352-S356 VanDerWaalsContact O-CB 3.31Å; V352-S356 WeakPolarHBondContact O-CB 3.31Å; V352-S356 PolarHBondContact O-N 3.07Å; V352-S356 PolarHBondContact O-OG 3.36Å |
| 353 | S | 84.3 | Confident | 79.7 | Confident | 71 Ų | 71 | 89.1 Ų | 89.1 | 50% | 0.497 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.8 | -44.6 | 175 | -172.3 | 0 | 0 | 0 | 0 | 111.7 | R349 L350 S356 S357 | R349-S353 VanDerWaalsContact O-CB 3.23Å; R349-S353 WeakPolarHBondContact O-CB 3.4Å; R349-S353 PolarHBondContact O-N 2.88Å; L350-S353 PolarHBondContact O-N 3.44Å; S353-S356 PolarHBondContact O-N 3.35Å; S353-S356 PolarHBondContact O-OG 3.35Å; S353-S357 PolarHBondContact O-N 2.88Å |
| 354 | C | 89.2 | Confident | 81.6 | Confident | 63 Ų | 63 | 90.1 Ų | 90.1 | 43% | 0.426 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.9 | -45.6 | 176.6 | -72.4 | 0 | 0 | 0 | 0 | 111.8 | L350 V351 S356 S357 F358 | L350-C354 WeakPolarHBondContact O-CB 3.25Å; L350-C354 PolarHBondContact O-N 3.33Å; L350-C354 PolarHBondContact O-SG 2.78Å; V351-C354 PolarHBondContact O-N 2.87Å; C354-S356 VanDerWaalsContact C-N 3.32Å; C354-S356 PolarHBondContact O-N 2.89Å; C354-S357 PolarHBondContact O-N 3.4Å; C354-S357 PolarHBondContact O-OG 2.95Å; C354-F358 WeakPolarHBondContact O-CD2 3.48Å; C354-F358 PolarHBondContact O-N 3.38Å |
| 355 | I | 91.4 | Very high | 83.5 | Confident | 92 Ų | 92 | 90.4 Ų | 90.4 | 47% | 0.472 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.2 | -42.1 | 177.8 | -67.1 | 167.1 | 0 | 0 | 0 | 110.3 | V351 V352 S357 F358 L359 | V351-I355 HydrophobicContact CG1-CD1 3.67Å; V351-I355 HydrophobicContact CG1-CG1 4.41Å; V351-I355 WeakPolarHBondContact O-CB 3.38Å; V351-I355 VanDerWaalsContact O-CG1 3.25Å; V351-I355 WeakPolarHBondContact O-CG1 3.28Å; V351-I355 PolarHBondContact O-N 3.29Å; V352-I355 PolarHBondContact O-N 3.49Å; I355-S357 VanDerWaalsContact C-N 3.35Å; I355-S357 PolarHBondContact O-N 3Å; I355-F358 PolarHBondContact O-N 3.03Å; I355-L359 HydrophobicContact CG2-CD1 3.91Å; I355-L359 HydrophobicContact CG2-CG 4.28Å; I355-L359 WeakPolarHBondContact O-CB 3.01Å; I355-L359 VanDerWaalsContact O-CG 3.28Å; I355-L359 WeakPolarHBondContact O-CG 3.37Å; I355-L359 PolarHBondContact O-N 2.91Å |
| 356 | S | 90.9 | Very high | 85.2 | Confident | 51 Ų | 51 | 94.2 Ų | 94.2 | 36% | 0.357 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.6 | -40.6 | 177.3 | 75 | 0 | 0 | 0 | 0 | 112.2 | V352 S353 C354 L359 I360 | V352-S356 VanDerWaalsContact O-CB 3.31Å; V352-S356 WeakPolarHBondContact O-CB 3.31Å; V352-S356 PolarHBondContact O-N 3.07Å; V352-S356 PolarHBondContact O-OG 3.36Å; S353-S356 PolarHBondContact O-N 3.35Å; S353-S356 PolarHBondContact O-OG 3.35Å; C354-S356 VanDerWaalsContact C-N 3.32Å; C354-S356 PolarHBondContact O-N 2.89Å; S356-L359 PolarHBondContact O-N 3.44Å; S356-I360 WeakPolarHBondContact O-CB 3.46Å; S356-I360 WeakPolarHBondContact O-CD1 3.14Å; S356-I360 WeakPolarHBondContact O-CG1 3.38Å; S356-I360 PolarHBondContact O-N 3.25Å |
| 357 | S | 92.5 | Very high | 86.5 | Confident | 59 Ų | 59 | 95 Ų | 95 | 41% | 0.413 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -68.1 | -40.3 | 178.8 | 72 | 0 | 0 | 0 | 0 | 111.9 | S353 C354 I355 I360 L361 | S353-S357 PolarHBondContact O-N 2.88Å; C354-S357 PolarHBondContact O-N 3.4Å; C354-S357 PolarHBondContact O-OG 2.95Å; I355-S357 VanDerWaalsContact C-N 3.35Å; I355-S357 PolarHBondContact O-N 3Å; S357-I360 PolarHBondContact O-N 3.45Å; S357-L361 WeakPolarHBondContact O-CB 3.33Å; S357-L361 PolarHBondContact O-N 2.9Å |
| 358 | F | 94.1 | Very high | 87.7 | Confident | 147 Ų | 147 | 96.6 Ų | 96.6 | 65% | 0.645 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.9 | -42.5 | 174.6 | -76.2 | -62.7 | 0 | 0 | 0 | 112.5 | C354 I355 L361 S362 | C354-F358 WeakPolarHBondContact O-CD2 3.48Å; C354-F358 PolarHBondContact O-N 3.38Å; I355-F358 PolarHBondContact O-N 3.03Å; F358-L361 PolarHBondContact O-N 3.29Å; F358-S362 WeakPolarHBondContact O-CB 3.35Å; F358-S362 PolarHBondContact O-N 3.49Å; F358-S362 PolarHBondContact O-OG 2.99Å |
| 359 | L | 91.8 | Very high | 88.4 | Confident | 102 Ų | 102 | 95.7 Ų | 95.7 | 53% | 0.534 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.7 | -44.4 | 176.9 | -70.2 | 177.5 | 0 | 0 | 0 | 111.3 | I355 S356 L361 S362 L363 | I355-L359 HydrophobicContact CG2-CD1 3.91Å; I355-L359 HydrophobicContact CG2-CG 4.28Å; I355-L359 WeakPolarHBondContact O-CB 3.01Å; I355-L359 VanDerWaalsContact O-CG 3.28Å; I355-L359 WeakPolarHBondContact O-CG 3.37Å; I355-L359 PolarHBondContact O-N 2.91Å; S356-L359 PolarHBondContact O-N 3.44Å; L359-L361 PolarHBondContact O-N 2.97Å; L359-S362 PolarHBondContact O-N 3.4Å; L359-S362 PolarHBondContact O-OG 3.48Å; L359-L363 WeakPolarHBondContact O-CG 3.43Å; L359-L363 PolarHBondContact O-N 2.69Å |
| 360 | I | 94.2 | Very high | 88.9 | Confident | 99 Ų | 99 | 93.2 Ų | 93.2 | 51% | 0.508 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.4 | -45.8 | 176.4 | -68.5 | 163.2 | 0 | 0 | 0 | 110.7 | S356 S357 S362 L363 L364 | S356-I360 WeakPolarHBondContact O-CB 3.46Å; S356-I360 WeakPolarHBondContact O-CD1 3.14Å; S356-I360 WeakPolarHBondContact O-CG1 3.38Å; S356-I360 PolarHBondContact O-N 3.25Å; S357-I360 PolarHBondContact O-N 3.45Å; I360-S362 VanDerWaalsContact C-N 3.31Å; I360-S362 PolarHBondContact O-N 3.25Å; I360-L363 PolarHBondContact O-N 3.48Å; I360-L364 HydrophobicContact CG2-CD1 4.09Å; I360-L364 HydrophobicContact CG2-CG 4.41Å; I360-L364 WeakPolarHBondContact O-CG 3.37Å; I360-L364 PolarHBondContact O-N 3.27Å |
| 361 | L | 93.6 | Very high | 89.1 | Confident | 104 Ų | 104 | 92.9 Ų | 92.9 | 55% | 0.545 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.4 | -41.6 | 178 | -154.1 | 91.6 | 0 | 0 | 0 | 111.4 | S357 F358 L359 L363 L364 L365 | S357-L361 WeakPolarHBondContact O-CB 3.33Å; S357-L361 PolarHBondContact O-N 2.9Å; F358-L361 PolarHBondContact O-N 3.29Å; L359-L361 PolarHBondContact O-N 2.97Å; L361-L363 PolarHBondContact O-N 2.91Å; L361-L364 PolarHBondContact O-N 3.35Å; L361-L365 HydrophobicContact CD2-CD1 4.47Å; L361-L365 WeakPolarHBondContact O-CB 3.41Å; L361-L365 WeakPolarHBondContact O-CG 3.23Å; L361-L365 PolarHBondContact O-N 2.83Å |
| 362 | S | 94 | Very high | 89 | Confident | 58 Ų | 58 | 97.7 Ų | 97.7 | 41% | 0.406 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.6 | -40.1 | 177.6 | 76.7 | 0 | 0 | 0 | 0 | 112.5 | F358 L359 I360 F366 | F358-S362 WeakPolarHBondContact O-CB 3.35Å; F358-S362 PolarHBondContact O-N 3.49Å; F358-S362 PolarHBondContact O-OG 2.99Å; L359-S362 PolarHBondContact O-N 3.4Å; L359-S362 PolarHBondContact O-OG 3.48Å; I360-S362 VanDerWaalsContact C-N 3.31Å; I360-S362 PolarHBondContact O-N 3.25Å; S362-F366 WeakPolarHBondContact O-CB 3.44Å; S362-F366 PolarHBondContact O-N 3.48Å |
| 363 | L | 92.9 | Very high | 88.5 | Confident | 109 Ų | 109 | 97.9 Ų | 97.9 | 57% | 0.571 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -68.8 | -40 | 176.6 | -70.6 | 176 | 0 | 0 | 0 | 111.9 | L359 I360 L361 F366 M367 | L359-L363 WeakPolarHBondContact O-CG 3.43Å; L359-L363 PolarHBondContact O-N 2.69Å; I360-L363 PolarHBondContact O-N 3.48Å; L361-L363 PolarHBondContact O-N 2.91Å; L363-F366 PolarHBondContact O-N 3.43Å; L363-M367 WeakPolarHBondContact O-CB 3.33Å; L363-M367 WeakPolarHBondContact O-CG 3.4Å; L363-M367 PolarHBondContact O-N 3.46Å |
| 364 | L | 92.7 | Very high | 88 | Confident | 105 Ų | 105 | 101.5 Ų | 101.5 | 55% | 0.55 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.4 | -44.5 | 175.4 | -71.7 | 177.3 | 0 | 0 | 0 | 111.5 | I360 L361 F366 M367 V368 | I360-L364 HydrophobicContact CG2-CD1 4.09Å; I360-L364 HydrophobicContact CG2-CG 4.41Å; I360-L364 WeakPolarHBondContact O-CG 3.37Å; I360-L364 PolarHBondContact O-N 3.27Å; L361-L364 PolarHBondContact O-N 3.35Å; L364-F366 VanDerWaalsContact C-N 3.32Å; L364-F366 PolarHBondContact O-N 3.3Å; L364-M367 PolarHBondContact O-N 3.24Å; L364-V368 WeakPolarHBondContact O-CG2 3.36Å; L364-V368 PolarHBondContact O-N 3.47Å |
| 365 | L | 91.5 | Very high | 86.9 | Confident | 112 Ų | 112 | 107.6 Ų | 107.6 | 59% | 0.586 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.2 | -39.8 | 175.1 | -71.4 | 176.1 | 0 | 0 | 0 | 111.7 | L361 V368 H369 | L361-L365 HydrophobicContact CD2-CD1 4.47Å; L361-L365 WeakPolarHBondContact O-CB 3.41Å; L361-L365 WeakPolarHBondContact O-CG 3.23Å; L361-L365 PolarHBondContact O-N 2.83Å; L365-V368 PolarHBondContact O-N 2.93Å; L365-H369 VanDerWaalsContact O-CB 3.26Å; L365-H369 WeakPolarHBondContact O-CB 3.35Å; L365-H369 PolarHBondContact O-N 3.37Å |
| 366 | F | 92.7 | Very high | 85.7 | Confident | 111 Ų | 111 | 111.8 Ų | 111.8 | 49% | 0.487 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.5 | -40.5 | 174.1 | -176.5 | -108.8 | 0 | 0 | 0 | 112.2 | S362 L363 L364 H369 R370 | S362-F366 WeakPolarHBondContact O-CB 3.44Å; S362-F366 PolarHBondContact O-N 3.48Å; L363-F366 PolarHBondContact O-N 3.43Å; L364-F366 VanDerWaalsContact C-N 3.32Å; L364-F366 PolarHBondContact O-N 3.3Å; F366-H369 PolarHBondContact O-N 2.81Å; F366-R370 HydrophobicContact CD1-CG 4.48Å; F366-R370 VanDerWaalsContact CE1-CD 3.49Å; F366-R370 HydrophobicContact CE1-CG 4.2Å; F366-R370 HydrophobicContact CE2-CG 4.43Å; F366-R370 HydrophobicContact CZ-CG 4.15Å; F366-R370 WeakPolarHBondContact O-CB 3.3Å; F366-R370 WeakPolarHBondContact O-CG 3.31Å; F366-R370 PolarHBondContact O-N 2.85Å |
| 367 | M | 86.9 | Confident | 84.2 | Confident | 85 Ų | 85 | 114.5 Ų | 114.5 | 42% | 0.419 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.1 | -45.5 | 173.5 | -78.8 | -64.9 | 98.7 | 0 | 0 | 112.2 | L363 L364 H369 R370 L371 | L363-M367 WeakPolarHBondContact O-CB 3.33Å; L363-M367 WeakPolarHBondContact O-CG 3.4Å; L363-M367 PolarHBondContact O-N 3.46Å; L364-M367 PolarHBondContact O-N 3.24Å; M367-H369 VanDerWaalsContact C-N 3.34Å; M367-H369 PolarHBondContact O-N 2.93Å; M367-R370 HydrophobicContact CE-CG 4.47Å; M367-R370 PolarHBondContact O-N 3.4Å; M367-L371 WeakPolarHBondContact O-CB 3.39Å; M367-L371 VanDerWaalsContact O-CG 3.23Å; M367-L371 WeakPolarHBondContact O-CG 3.26Å; M367-L371 PolarHBondContact O-N 2.92Å |
| 368 | V | 89.6 | Confident | 82.6 | Confident | 66 Ų | 66 | 120 Ų | 120 | 40% | 0.4 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -63.3 | -41.5 | 175.3 | 172.1 | 0 | 0 | 0 | 0 | 110.8 | L364 L365 L371 R372 | L364-V368 WeakPolarHBondContact O-CG2 3.36Å; L364-V368 PolarHBondContact O-N 3.47Å; L365-V368 PolarHBondContact O-N 2.93Å; V368-L371 PolarHBondContact O-N 2.79Å; V368-R372 HydrophobicContact CG1-CG 4.31Å; V368-R372 VanDerWaalsContact O-CB 3.31Å; V368-R372 WeakPolarHBondContact O-CB 3.47Å; V368-R372 VanDerWaalsContact O-CG 3.3Å; V368-R372 WeakPolarHBondContact O-CG 3.33Å; V368-R372 PolarHBondContact O-N 3.41Å |
| 369 | H | 84.8 | Confident | 80.9 | Confident | 111 Ų | 111 | 117.6 Ų | 117.6 | 51% | 0.514 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -60.9 | -48.1 | 174.9 | -175.6 | -85.2 | 0 | 0 | 0 | 110.8 | L365 F366 M367 L371 R372 Q373 | L365-H369 VanDerWaalsContact O-CB 3.26Å; L365-H369 WeakPolarHBondContact O-CB 3.35Å; L365-H369 PolarHBondContact O-N 3.37Å; F366-H369 PolarHBondContact O-N 2.81Å; M367-H369 VanDerWaalsContact C-N 3.34Å; M367-H369 PolarHBondContact O-N 2.93Å; H369-L371 VanDerWaalsContact C-N 3.34Å; H369-L371 PolarHBondContact O-N 2.93Å; H369-R372 PolarHBondContact O-N 3.18Å; H369-Q373 PolarHBondContact CE1-OE1 3.19Å; H369-Q373 PolarHBondContact ND1-OE1 2.89Å; H369-Q373 VanDerWaalsContact O-CB 3.27Å; H369-Q373 WeakPolarHBondContact O-CB 3.27Å; H369-Q373 PolarHBondContact O-N 3.39Å |
| 370 | R | 82.8 | Confident | 79.1 | Confident | 122 Ų | 122 | 118.8 Ų | 118.8 | 46% | 0.46 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.6 | -38 | 176 | -77 | -171.6 | 117.8 | -172.5 | -0.3 | 113 | F366 M367 Q373 R374 | F366-R370 HydrophobicContact CD1-CG 4.48Å; F366-R370 VanDerWaalsContact CE1-CD 3.49Å; F366-R370 HydrophobicContact CE1-CG 4.2Å; F366-R370 HydrophobicContact CE2-CG 4.43Å; F366-R370 HydrophobicContact CZ-CG 4.15Å; F366-R370 WeakPolarHBondContact O-CB 3.3Å; F366-R370 WeakPolarHBondContact O-CG 3.31Å; F366-R370 PolarHBondContact O-N 2.85Å; M367-R370 HydrophobicContact CE-CG 4.47Å; M367-R370 PolarHBondContact O-N 3.4Å; R370-Q373 PolarHBondContact O-N 3.42Å; R370-R374 WeakPolarHBondContact O-CG 3.49Å; R370-R374 PolarHBondContact O-N 3.37Å |
| 371 | L | 79.3 | Confident | 77.3 | Confident | 108 Ų | 108 | 117.3 Ų | 117.3 | 57% | 0.565 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -70.1 | -38.6 | 176.6 | -73.7 | 170.6 | 0 | 0 | 0 | 111.6 | M367 V368 H369 R375 | M367-L371 WeakPolarHBondContact O-CB 3.39Å; M367-L371 VanDerWaalsContact O-CG 3.23Å; M367-L371 WeakPolarHBondContact O-CG 3.26Å; M367-L371 PolarHBondContact O-N 2.92Å; V368-L371 PolarHBondContact O-N 2.79Å; H369-L371 VanDerWaalsContact C-N 3.34Å; H369-L371 PolarHBondContact O-N 2.93Å; L371-R375 WeakPolarHBondContact O-CB 3.33Å; L371-R375 PolarHBondContact O-N 2.77Å |
| 372 | R | 77.8 | Confident | 75.4 | Confident | 184 Ų | 184 | 118.3 Ų | 118.3 | 69% | 0.694 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -66.8 | -37.3 | 172.1 | -76.2 | -177.1 | -179.4 | -157.5 | 1.8 | 111.5 | V368 H369 R375 R376 | V368-R372 HydrophobicContact CG1-CG 4.31Å; V368-R372 VanDerWaalsContact O-CB 3.31Å; V368-R372 WeakPolarHBondContact O-CB 3.47Å; V368-R372 VanDerWaalsContact O-CG 3.3Å; V368-R372 WeakPolarHBondContact O-CG 3.33Å; V368-R372 PolarHBondContact O-N 3.41Å; H369-R372 PolarHBondContact O-N 3.18Å; R372-R375 PolarHBondContact O-N 3.42Å; R372-R376 VanDerWaalsContact O-CB 3.29Å; R372-R376 WeakPolarHBondContact O-CB 3.42Å; R372-R376 PolarHBondContact O-N 3.27Å |
| 373 | Q | 71.3 | Confident | 73.4 | Confident | 96 Ų | 96 | 121.6 Ų | 121.6 | 45% | 0.449 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -66.6 | -47.5 | 175.7 | -165.9 | 163.2 | -4.7 | 0 | 0 | 110.9 | H369 R370 R375 R376 E377 | H369-Q373 PolarHBondContact CE1-OE1 3.19Å; H369-Q373 PolarHBondContact ND1-OE1 2.89Å; H369-Q373 VanDerWaalsContact O-CB 3.27Å; H369-Q373 WeakPolarHBondContact O-CB 3.27Å; H369-Q373 PolarHBondContact O-N 3.39Å; R370-Q373 PolarHBondContact O-N 3.42Å; Q373-R375 VanDerWaalsContact C-N 3.32Å; Q373-R375 PolarHBondContact O-N 2.79Å; Q373-R376 PolarHBondContact O-N 3.33Å; Q373-E377 WeakPolarHBondContact O-CB 3.36Å; Q373-E377 WeakPolarHBondContact O-CG 3.29Å; Q373-E377 PolarHBondContact O-N 2.83Å |
| 374 | R | 73.6 | Confident | 71.5 | Confident | 147 Ų | 147 | 118.4 Ų | 118.4 | 56% | 0.555 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -61.4 | -35.8 | 170.9 | -73.2 | -173.4 | -170.6 | -170.8 | 3.2 | 113 | R370 R378 | R370-R374 WeakPolarHBondContact O-CG 3.49Å; R370-R374 PolarHBondContact O-N 3.37Å; R374-R378 WeakPolarHBondContact O-CG 3.29Å; R374-R378 PolarHBondContact O-N 3.36Å; R374-R378 VanDerWaalsContact O-N 3.09Å |
| 375 | R | 67.3 | Low | 69.4 | Low | 191 Ų | 191 | 116.7 Ų | 116.7 | 72% | 0.721 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -69.5 | -39.1 | 174.6 | -95.5 | -171.3 | 175.9 | -132.2 | 2.7 | 111.8 | L371 R372 Q373 R378 I379 | L371-R375 WeakPolarHBondContact O-CB 3.33Å; L371-R375 PolarHBondContact O-N 2.77Å; R372-R375 PolarHBondContact O-N 3.42Å; Q373-R375 VanDerWaalsContact C-N 3.32Å; Q373-R375 PolarHBondContact O-N 2.79Å; R375-R378 PolarHBondContact O-N 3.09Å; R375-I379 WeakPolarHBondContact O-CD1 3.23Å; R375-I379 VanDerWaalsContact O-CG1 3.23Å; R375-I379 WeakPolarHBondContact O-CG1 3.34Å; R375-I379 PolarHBondContact O-N 2.88Å |
| 376 | R | 64.8 | Low | 67.2 | Low | 180 Ų | 180 | 118.7 Ų | 118.7 | 68% | 0.679 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -69.9 | -39.9 | 178.7 | -164.1 | 177.5 | -91.2 | -134.8 | -0.1 | 111 | R372 Q373 R378 I379 E380 | R372-R376 VanDerWaalsContact O-CB 3.29Å; R372-R376 WeakPolarHBondContact O-CB 3.42Å; R372-R376 PolarHBondContact O-N 3.27Å; Q373-R376 PolarHBondContact O-N 3.33Å; R376-R378 PolarHBondContact O-N 2.99Å; R376-I379 PolarHBondContact O-N 3.42Å; R376-I379 VanDerWaalsContact O-N 3.17Å; R376-E380 PolarHBondContact O-N 2.85Å |
| 377 | E | 59.8 | Low | 65.1 | Low | 109 Ų | 109 | 120.3 Ų | 120.3 | 51% | 0.509 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -61.6 | -39.2 | 170.6 | -72.4 | 167.1 | -172.5 | 0 | 0 | 112.3 | Q373 S381 | Q373-E377 WeakPolarHBondContact O-CB 3.36Å; Q373-E377 WeakPolarHBondContact O-CG 3.29Å; Q373-E377 PolarHBondContact O-N 2.83Å; E377-S381 PolarHBondContact O-N 3.46Å |
| 378 | R | 59.7 | Low | 63.1 | Low | 175 Ų | 175 | 123.8 Ų | 123.8 | 66% | 0.66 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -67.3 | -36.8 | 172.4 | -75.2 | -167.9 | -146.1 | -167.4 | 5.3 | 112.9 | R374 R375 R376 S381 L382 | R374-R378 WeakPolarHBondContact O-CG 3.29Å; R374-R378 PolarHBondContact O-N 3.36Å; R374-R378 VanDerWaalsContact O-N 3.09Å; R375-R378 PolarHBondContact O-N 3.09Å; R376-R378 PolarHBondContact O-N 2.99Å; R378-S381 PolarHBondContact O-N 2.71Å; R378-S381 PolarHBondContact O-OG 2.86Å; R378-L382 VanDerWaalsContact O-CD1 3.29Å; R378-L382 WeakPolarHBondContact O-CD1 3.36Å; R378-L382 PolarHBondContact O-N 3.17Å |
| 379 | I | 57.8 | Low | 60.9 | Low | 96 Ų | 96 | 128.4 Ų | 128.4 | 49% | 0.492 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -70.5 | -37.4 | 177.5 | -68.2 | 163.1 | 0 | 0 | 0 | 110.9 | R375 R376 S381 L382 I383 | R375-I379 WeakPolarHBondContact O-CD1 3.23Å; R375-I379 VanDerWaalsContact O-CG1 3.23Å; R375-I379 WeakPolarHBondContact O-CG1 3.34Å; R375-I379 PolarHBondContact O-N 2.88Å; R376-I379 PolarHBondContact O-N 3.42Å; R376-I379 VanDerWaalsContact O-N 3.17Å; I379-S381 VanDerWaalsContact C-N 3.32Å; I379-S381 PolarHBondContact O-N 2.78Å; I379-L382 PolarHBondContact O-N 2.95Å; I379-I383 HydrophobicContact CG2-CD1 3.78Å; I379-I383 WeakPolarHBondContact O-CG1 3.45Å; I379-I383 PolarHBondContact O-N 2.88Å |
| 380 | E | 54.4 | Low | 59.1 | Low | 126 Ų | 126 | 132.6 Ų | 132.6 | 59% | 0.589 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -66.3 | -33.1 | 171.5 | -74.8 | 173.5 | -173.8 | 0 | 0 | 111.9 | R376 G384 | R376-E380 PolarHBondContact O-N 2.85Å; E380-G384 PolarHBondContact O-N 3.01Å |
| 381 | S | 56.3 | Low | 56.8 | Low | 68 Ų | 68 | 132.9 Ų | 132.9 | 48% | 0.476 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -69.8 | -32.7 | 171.9 | 80.4 | 0 | 0 | 0 | 0 | 113.7 | E377 R378 I379 A385 | E377-S381 PolarHBondContact O-N 3.46Å; R378-S381 PolarHBondContact O-N 2.71Å; R378-S381 PolarHBondContact O-OG 2.86Å; I379-S381 VanDerWaalsContact C-N 3.32Å; I379-S381 PolarHBondContact O-N 2.78Å; S381-A385 WeakPolarHBondContact O-CB 3.12Å; S381-A385 PolarHBondContact O-N 3.33Å |
| 382 | L | 53 | Low | 55.1 | Low | 125 Ų | 125 | 135.4 Ų | 135.4 | 65% | 0.654 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -77.8 | -28 | 176.2 | -97.2 | 95.8 | 0 | 0 | 0 | 113.1 | R378 I379 | R378-L382 VanDerWaalsContact O-CD1 3.29Å; R378-L382 WeakPolarHBondContact O-CD1 3.36Å; R378-L382 PolarHBondContact O-N 3.17Å; I379-L382 PolarHBondContact O-N 2.95Å |
| 383 | I | 53.4 | Low | 53.4 | Low | 127 Ų | 127 | 130.4 Ų | 130.4 | 65% | 0.651 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -85.2 | -29.3 | 175.7 | -62.4 | 168.7 | 0 | 0 | 0 | 110.8 | I379 | I379-I383 HydrophobicContact CG2-CD1 3.78Å; I379-I383 WeakPolarHBondContact O-CG1 3.45Å; I379-I383 PolarHBondContact O-N 2.88Å |
| 384 | G | 51.6 | Low | 51.7 | Low | 43 Ų | 43 | 137.2 Ų | 137.2 | 44% | 0.443 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -78.2 | -27 | 172.9 | 0 | 0 | 0 | 0 | 0 | 115 | E380 | E380-G384 PolarHBondContact O-N 3.01Å |
| 385 | A | 48.5 | Very low | 50.3 | Low | 69 Ų | 69 | 141.5 Ų | 141.5 | 57% | 0.57 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | -14.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | S381 | S381-A385 WeakPolarHBondContact O-CB 3.12Å; S381-A385 PolarHBondContact O-N 3.33Å |
| 386 | N | 45.8 | Very low | 48.8 | Very low | 153 Ų | 153 | 140 Ų | 140 | 82% | 0.818 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.8 | 0.9 | 179.1 | -109.8 | -34.5 | 0 | 0 | 0 | 114.3 | ||
| 387 | L | 48.2 | Very low | 47.7 | Very low | 145 Ų | 145 | 137 Ų | 137 | 76% | 0.759 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -108.1 | -4.6 | 178.3 | -152.3 | 71.2 | 0 | 0 | 0 | 114.2 | ||
| 388 | H | 46.5 | Very low | 46.6 | Very low | 159 Ų | 159 | 135 Ų | 135 | 74% | 0.736 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -127.5 | 17.6 | -171.9 | -76.6 | -62.3 | 0 | 0 | 0 | 117 | ||
| 389 | H | 42.1 | Very low | 45.2 | Very low | 162 Ų | 162 | 136.6 Ų | 136.6 | 75% | 0.75 | 72% | 0.721 | S | S | * | * | trans | -122.6 | 55.9 | 172.3 | -145.8 | 66.2 | 0 | 0 | 0 | 114.5 | ||||
| 390 | F | 47.3 | Very low | 44.3 | Very low | 199 Ų | 199 | 139.9 Ų | 139.9 | 87% | 0.873 | 74% | 0.739 | S | S | * | * | trans | -114.4 | 93.1 | 140.7 | -88.1 | -82.8 | 0 | 0 | 0 | 107.3 | ||||
| 391 | N | 35.4 | Very low | 43.5 | Very low | 128 Ų | 128 | 145 Ų | 145 | 68% | 0.684 | 76% | 0.755 | S | S | * | * | S | Bend | trans | 157.7 | 133.9 | 130.5 | -87.4 | -65.6 | 0 | 0 | 0 | 113.8 | ||
| 392 | L | 41.8 | Very low | 42.5 | Very low | 162 Ų | 162 | 145 Ų | 145 | 85% | 0.848 | 77% | 0.765 | S | S | * | * | trans | 77.8 | 108.9 | 147.1 | -70.4 | 145.2 | 0 | 0 | 0 | 118.8 | ||||
| 393 | G | 42.7 | Very low | 42.2 | Very low | 78 Ų | 78 | 144.6 Ų | 144.6 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | trans | -78.5 | 173.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 394 | R | 36.6 | Very low | 41.7 | Very low | 239 Ų | 239 | 146.4 Ų | 146.4 | 90% | 0.902 | 78% | 0.781 | S | S | * | * | trans | -158.4 | 119.4 | 156.1 | -152.9 | 167.2 | -176.3 | 170.5 | 0.1 | 109.3 | ||||
| 395 | R | 44.4 | Very low | 41 | Very low | 237 Ų | 237 | 148 Ų | 148 | 89% | 0.894 | 80% | 0.797 | S | S | * | * | trans | -61.1 | 147.5 | 165.7 | -62 | -179.6 | -174.9 | 179.2 | 0.6 | 109.8 | ||||
| 396 | I | 34.8 | Very low | 40.6 | Very low | 161 Ų | 161 | 155.5 Ų | 155.5 | 83% | 0.826 | 82% | 0.818 | S | S | * | * | trans | -148.3 | 143.6 | 140.1 | -87.5 | 141.8 | 0 | 0 | 0 | 107.9 | ||||
| 397 | P | 41.5 | Very low | 40 | Very low | 116 Ų | 116 | 151 Ų | 151 | 75% | 0.753 | 81% | 0.808 | S | S | * | * | trans | -118.4 | 157.6 | -154 | 31.1 | -11.9 | 0 | 0 | 0 | 115.5 | ||||
| 398 | G | 36.5 | Very low | 39.8 | Very low | 68 Ų | 68 | 151.4 Ų | 151.4 | 70% | 0.701 | 82% | 0.816 | S | S | * | * | trans | 81.2 | 108.7 | 138 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 399 | F | 31.6 | Very low | 39.2 | Very low | 208 Ų | 208 | 147 Ų | 147 | 91% | 0.912 | 81% | 0.814 | S | S | * | * | trans | -156.4 | 125 | 133.3 | -112.8 | -82.1 | 0 | 0 | 0 | 108.7 | ||||
| 400 | D | 37.3 | Very low | 38.9 | Very low | 165 Ų | 165 | 147.5 Ų | 147.5 | 88% | 0.882 | 82% | 0.821 | S | S | * | * | trans | -70.1 | 146.7 | -173.7 | -74.3 | -52.6 | 0 | 0 | 0 | 113.5 | ||||
| 401 | Y | 38.9 | Very low | 38.5 | Very low | 234 Ų | 234 | 143.9 Ų | 143.9 | 92% | 0.918 | 82% | 0.815 | S | S | * | * | trans | -106.2 | 130.3 | 163.4 | -82.7 | -88.3 | 0 | 0 | 0 | 110 | ||||
| 402 | G | 35.3 | Very low | 39.1 | Very low | 67 Ų | 67 | 143 Ų | 143 | 69% | 0.691 | 82% | 0.817 | S | S | * | * | trans | -93.8 | 143.9 | 154.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 403 | P | 46.4 | Very low | 38.7 | Very low | 116 Ų | 116 | 144.1 Ų | 144.1 | 75% | 0.753 | 82% | 0.822 | S | S | * | * | S | Bend | trans | -88.5 | 133.8 | -164.8 | 35 | -31.1 | 0 | 0 | 0 | 111.2 | ||
| 404 | D | 43 | Very low | 38.3 | Very low | 166 Ų | 166 | 148.1 Ų | 148.1 | 89% | 0.888 | 82% | 0.82 | S | S | * | * | trans | 171.7 | 95.6 | 131.6 | -80.9 | -16.1 | 0 | 0 | 0 | 108.5 | ||||
| 405 | G | 35.4 | Very low | 38.3 | Very low | 76 Ų | 76 | 143.8 Ų | 143.8 | 78% | 0.784 | 81% | 0.814 | S | S | * | * | trans | -168.9 | 100.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 406 | F | 40.4 | Very low | 37.9 | Very low | 227 Ų | 227 | 136.6 Ų | 136.6 | 100% | 0.996 | 80% | 0.8 | S | S | * | * | trans | -49.5 | 137.1 | 172.7 | -99 | -102.7 | 0 | 0 | 0 | 112.1 | ||||
| 407 | G | 34 | Very low | 38.6 | Very low | 59 Ų | 59 | 136.3 Ų | 136.3 | 61% | 0.608 | 80% | 0.8 | S | S | * | * | trans | 171.3 | 86 | 166.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 408 | T | 44.2 | Very low | 38.5 | Very low | 153 Ų | 153 | 137.6 Ų | 137.6 | 94% | 0.939 | 80% | 0.801 | S | S | * | * | trans | 72.8 | 140 | 142.9 | 69.1 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 409 | G | 34.3 | Very low | 39.3 | Very low | 66 Ų | 66 | 137.3 Ų | 137.3 | 68% | 0.68 | 80% | 0.798 | S | S | * | * | trans | 117.1 | 116.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 410 | L | 36.1 | Very low | 39.9 | Very low | 172 Ų | 172 | 136.4 Ų | 136.4 | 90% | 0.901 | 80% | 0.796 | S | S | * | * | -156 | 140.8 | 51.5 | -67.1 | 169.2 | 0 | 0 | 0 | 111.4 | |||||
| 411 | T | 37.7 | Very low | 40.6 | Very low | 124 Ų | 124 | 132.5 Ų | 132.5 | 76% | 0.761 | 80% | 0.795 | S | S | * | * | trans | -48.6 | -171.6 | 150.1 | 51.6 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 412 | P | 48.3 | Very low | 40.5 | Very low | 109 Ų | 109 | 124.2 Ų | 124.2 | 71% | 0.708 | 78% | 0.781 | S | S | * | * | -132.1 | 164 | -61.5 | 37.5 | -21.6 | 0 | 0 | 0 | 110.3 | |||||
| 413 | L | 34 | Very low | 40.9 | Very low | 185 Ų | 185 | 127.1 Ų | 127.1 | 97% | 0.969 | 79% | 0.786 | S | S | * | * | trans | -141.6 | 140.1 | 153.4 | -87.2 | -176.8 | 0 | 0 | 0 | 112.6 | ||||
| 414 | H | 33.4 | Very low | 40.4 | Very low | 162 Ų | 162 | 130.3 Ų | 130.3 | 75% | 0.75 | 79% | 0.788 | S | S | * | * | trans | -93.8 | 164 | -174.6 | -159.9 | 70.4 | 0 | 0 | 0 | 109.4 | ||||
| 415 | L | 36.9 | Very low | 40.2 | Very low | 148 Ų | 148 | 130.2 Ų | 130.2 | 78% | 0.775 | 78% | 0.782 | S | S | * | * | trans | 77.8 | 131.7 | 163 | -72.7 | 142.6 | 0 | 0 | 0 | 115 | ||||
| 416 | S | 36.6 | Very low | 40.2 | Very low | 87 Ų | 87 | 136 Ų | 136 | 61% | 0.608 | 79% | 0.786 | S | S | * | * | cis | -152.8 | 159 | 18 | -65.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 417 | D | 47.9 | Very low | 40.4 | Very low | 155 Ų | 155 | 133.9 Ų | 133.9 | 83% | 0.829 | 78% | 0.779 | S | S | * | * | trans | -74.1 | 119.3 | 158.1 | 172.2 | 34.5 | 0 | 0 | 0 | 108.9 | ||||
| 418 | D | 41.3 | Very low | 40.7 | Very low | 142 Ų | 142 | 138.2 Ų | 138.2 | 76% | 0.759 | 79% | 0.788 | S | S | * | * | trans | -128.8 | 97.5 | 158.1 | -1.6 | -39.2 | 0 | 0 | 0 | 106.3 | E420 | D418-E420 PolarHBondContact O-N 3.27Š| ||
| 419 | G | 51.4 | Low | 40.9 | Very low | 63 Ų | 63 | 136.2 Ų | 136.2 | 65% | 0.649 | 78% | 0.778 | S | S | * | * | trans | -62.4 | 118.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 420 | E | 44 | Very low | 41.5 | Very low | 188 Ų | 188 | 138.7 Ų | 138.7 | 88% | 0.879 | 78% | 0.782 | S | S | * | * | trans | -163.6 | 115.9 | 151.9 | -160.8 | 76.3 | -128.9 | 0 | 0 | 107.6 | D418 | D418-E420 PolarHBondContact O-N 3.27Š| ||
| 421 | G | 52.8 | Low | 42 | Very low | 83 Ų | 83 | 136.2 Ų | 136.2 | 86% | 0.856 | 78% | 0.776 | S | S | * | * | trans | 51.8 | 100.1 | 160.3 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 422 | G | 37.3 | Very low | 42.4 | Very low | 61 Ų | 61 | 135.3 Ų | 135.3 | 63% | 0.629 | 77% | 0.772 | S | S | * | * | trans | -159.1 | 91.1 | 167.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | F424 | G422-F424 PolarHBondContact O-N 3.01Š| ||
| 423 | T | 44.3 | Very low | 41.8 | Very low | 127 Ų | 127 | 140.9 Ų | 140.9 | 78% | 0.779 | 78% | 0.781 | S | S | * | * | trans | -50.1 | 112.7 | 163.4 | -68.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 424 | F | 34.2 | Very low | 42.2 | Very low | 184 Ų | 184 | 139 Ų | 139 | 81% | 0.807 | 78% | 0.777 | S | S | * | * | trans | -107.1 | 108.6 | 164.1 | -87.4 | -86.4 | 0 | 0 | 0 | 109.1 | G422 F426 | G422-F424 PolarHBondContact O-N 3.01Å; F424-F426 PolarHBondContact O-N 3.03Å | ||
| 425 | H | 39.7 | Very low | 42.5 | Very low | 164 Ų | 164 | 136 Ų | 136 | 76% | 0.759 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 121.1 | 168.3 | -85.8 | -91.5 | 0 | 0 | 0 | 110 | ||
| 426 | F | 36 | Very low | 42.4 | Very low | 196 Ų | 196 | 140.1 Ų | 140.1 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 120.5 | 158 | -87.4 | -91 | 0 | 0 | 0 | 108.3 | F424 | F424-F426 PolarHBondContact O-N 3.03Š|
| 427 | H | 43.1 | Very low | 42.2 | Very low | 183 Ų | 183 | 144 Ų | 144 | 85% | 0.847 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 122.5 | 165.9 | -88.8 | -76.9 | 0 | 0 | 0 | 109.1 | ||
| 428 | D | 40.4 | Very low | 41.5 | Very low | 150 Ų | 150 | 146.5 Ų | 146.5 | 80% | 0.802 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 144 | 164.9 | -74.9 | -43.4 | 0 | 0 | 0 | 111 | ||
| 429 | P | 49 | Very low | 41.4 | Very low | 112 Ų | 112 | 145.2 Ų | 145.2 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 143.9 | 173.1 | 30.9 | -32.8 | 0 | 0 | 0 | 111.8 | ||
| 430 | P | 47.3 | Very low | 41 | Very low | 118 Ų | 118 | 148.5 Ų | 148.5 | 77% | 0.766 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -80 | 151.9 | 178.5 | 31.2 | -32.8 | 0 | 0 | 0 | 112.9 | ||
| 431 | P | 45.3 | Very low | 40.8 | Very low | 120 Ų | 120 | 147.8 Ų | 147.8 | 78% | 0.779 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 157.5 | -178.5 | 29.8 | -34.4 | 0 | 0 | 0 | 113.6 | ||
| 432 | P | 47.2 | Very low | 40.4 | Very low | 105 Ų | 105 | 146.7 Ų | 146.7 | 68% | 0.682 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 169.8 | -178.8 | 35.8 | -33 | 0 | 0 | 0 | 112.4 | ||
| 433 | Y | 35.3 | Very low | 40.5 | Very low | 225 Ų | 225 | 152.7 Ų | 152.7 | 88% | 0.882 | 80% | 0.795 | S | S | * | * | trans | 100.7 | 83.8 | 176.5 | -54.3 | -67.4 | 0 | 0 | 0 | 115.9 | ||||
| 434 | T | 42.2 | Very low | 40.5 | Very low | 146 Ų | 146 | 151.9 Ų | 151.9 | 90% | 0.896 | 79% | 0.792 | S | S | * | * | trans | -117 | 141.5 | 144.5 | 55.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 435 | A | 39.7 | Very low | 41 | Very low | 99 Ų | 99 | 150.6 Ų | 150.6 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 150.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | K437 | A435-K437 PolarHBondContact O-N 3.49Š|
| 436 | Y | 34.7 | Very low | 41.1 | Very low | 234 Ų | 234 | 150.2 Ų | 150.2 | 92% | 0.918 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 122 | 178.7 | -117.4 | -95.5 | 0 | 0 | 0 | 111.9 | ||
| 437 | K | 32.3 | Very low | 41.9 | Very low | 169 Ų | 169 | 146.2 Ų | 146.2 | 74% | 0.735 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -96 | 129.9 | 171.6 | -166 | -175.4 | 178.6 | -161 | 0 | 109.5 | A435 D440 | A435-K437 PolarHBondContact O-N 3.49Å; K437-D440 IonicContact NZ-OD1 3.03Å |
| 438 | Y | 34.9 | Very low | 42.1 | Very low | 208 Ų | 208 | 143.3 Ų | 143.3 | 82% | 0.816 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 155.1 | 171 | -85.2 | -89.2 | 0 | 0 | 0 | 111.4 | ||
| 439 | P | 39 | Very low | 42.2 | Very low | 114 Ų | 114 | 141.6 Ų | 141.6 | 74% | 0.74 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -76 | 144.9 | -172.6 | 3.4 | 12.3 | 0 | 0 | 0 | 112.6 | ||
| 440 | D | 41.4 | Very low | 41.7 | Very low | 133 Ų | 133 | 142.2 Ų | 142.2 | 71% | 0.711 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 128.5 | -175.6 | -57.5 | -63.6 | 0 | 0 | 0 | 113.4 | K437 | K437-D440 IonicContact NZ-OD1 3.03Š|
| 441 | I | 40 | Very low | 41.3 | Very low | 172 Ų | 172 | 146.9 Ų | 146.9 | 88% | 0.882 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -102.4 | 116.2 | 154.7 | -72.9 | 166.5 | 0 | 0 | 0 | 105.6 | ||
| 442 | G | 45.8 | Very low | 40.9 | Very low | 61 Ų | 61 | 150.2 Ų | 150.2 | 63% | 0.629 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 147.4 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 443 | Q | 39.9 | Very low | 40.4 | Very low | 186 Ų | 186 | 149.5 Ų | 149.5 | 87% | 0.869 | 80% | 0.802 | S | S | * | * | trans | -171.8 | 170.2 | 138.8 | -145.6 | 104 | -2.3 | 0 | 0 | 108.6 | ||||
| 444 | P | 42.9 | Very low | 40.5 | Very low | 110 Ų | 110 | 143.9 Ų | 143.9 | 71% | 0.714 | 80% | 0.795 | S | S | * | * | -103.5 | 177.3 | -115.4 | 33.6 | -11.4 | 0 | 0 | 0 | 113.8 | |||||
| 445 | D | 44.6 | Very low | 40.3 | Very low | 157 Ų | 157 | 144.9 Ų | 144.9 | 84% | 0.84 | 79% | 0.794 | S | S | * | * | trans | -49.5 | 131.2 | -179.2 | -58.2 | -76.7 | 0 | 0 | 0 | 115.6 | ||||
| 446 | D | 43 | Very low | 40 | Very low | 157 Ų | 157 | 148.2 Ų | 148.2 | 84% | 0.84 | 79% | 0.792 | S | S | * | * | trans | -148.7 | 136 | 143.2 | -96.9 | -34.9 | 0 | 0 | 0 | 109.6 | ||||
| 447 | P | 51.7 | Low | 40.3 | Very low | 112 Ų | 112 | 141.9 Ų | 141.9 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 145.7 | -180 | 30.5 | -33.7 | 0 | 0 | 0 | 111.8 | ||
| 448 | P | 47.5 | Very low | 40.5 | Very low | 122 Ų | 122 | 141.3 Ų | 141.3 | 79% | 0.792 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 146.5 | 178.3 | 29.9 | -33.2 | 0 | 0 | 0 | 112.1 | ||
| 449 | P | 42.4 | Very low | 40.4 | Very low | 113 Ų | 113 | 137.3 Ų | 137.3 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 157.6 | 175.6 | 31.5 | -33.5 | 0 | 0 | 0 | 112 | ||
| 450 | P | 38.1 | Very low | 40.2 | Very low | 125 Ų | 125 | 137.6 Ų | 137.6 | 81% | 0.812 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -77 | 141.9 | 179.4 | 32.9 | -31.7 | 0 | 0 | 0 | 110.3 | ||
| 451 | Y | 38.6 | Very low | 39.9 | Very low | 217 Ų | 217 | 139.3 Ų | 139.3 | 85% | 0.851 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 121.7 | 171.6 | 60 | -85.1 | 0 | 0 | 0 | 109.2 | ||
| 452 | E | 37.7 | Very low | 39.5 | Very low | 189 Ų | 189 | 140.8 Ų | 140.8 | 88% | 0.883 | 78% | 0.783 | S | S | * | * | trans | -170.5 | 114.6 | 151 | -113.6 | 173.8 | 179.9 | 0 | 0 | 108.5 | ||||
| 453 | A | 37.1 | Very low | 38.9 | Very low | 90 Ų | 90 | 144.7 Ų | 144.7 | 74% | 0.744 | 79% | 0.79 | S | S | * | * | trans | 163.3 | 115.3 | 133.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 454 | S | 37.8 | Very low | 39 | Very low | 108 Ų | 108 | 141.3 Ų | 141.3 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | 62 | 96.3 | 123.4 | -45.5 | 0 | 0 | 0 | 0 | 118.6 | H456 | S454-H456 PolarHBondContact O-N 3.32Š| |||
| 455 | I | 36.6 | Very low | 38.6 | Very low | 167 Ų | 167 | 140 Ų | 140 | 86% | 0.856 | 78% | 0.783 | S | S | * | * | trans | -63.1 | 111.6 | 155.1 | -62.4 | 175.8 | 0 | 0 | 0 | 108.2 | ||||
| 456 | H | 33.6 | Very low | 38.1 | Very low | 169 Ų | 169 | 140.3 Ų | 140.3 | 78% | 0.782 | 79% | 0.785 | S | S | * | * | trans | -102.2 | 126.9 | 153.6 | -105.9 | 76.7 | 0 | 0 | 0 | 107.3 | S454 | S454-H456 PolarHBondContact O-N 3.32Š| ||
| 457 | P | 41.3 | Very low | 37.8 | Very low | 101 Ų | 101 | 140 Ų | 140 | 66% | 0.656 | 78% | 0.782 | S | S | * | * | trans | -94 | 106.6 | 174.1 | 33.2 | -22.8 | 0 | 0 | 0 | 108.1 | ||||
| 458 | D | 36.6 | Very low | 36.9 | Very low | 156 Ų | 156 | 142.1 Ų | 142.1 | 83% | 0.834 | 79% | 0.788 | S | S | * | * | trans | -167.2 | 91.9 | 157.5 | -89.8 | -30.2 | 0 | 0 | 0 | 109.1 | ||||
| 459 | S | 32.3 | Very low | 36.3 | Very low | 124 Ų | 124 | 139.9 Ų | 139.9 | 87% | 0.867 | 78% | 0.78 | S | S | * | * | trans | -170.4 | 92.8 | 150.9 | 27 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 460 | V | 35.7 | Very low | 35.8 | Very low | 121 Ų | 121 | 144.4 Ų | 144.4 | 73% | 0.733 | 79% | 0.789 | S | S | * | * | trans | -69.1 | 158.9 | 156.3 | -174.7 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 461 | F | 34.1 | Very low | 35.6 | Very low | 169 Ų | 169 | 146.5 Ų | 146.5 | 74% | 0.741 | 79% | 0.787 | S | S | * | * | trans | 99.3 | 132.9 | 166.4 | -72.6 | -98.4 | 0 | 0 | 0 | 115.6 | ||||
| 462 | Y | 31.9 | Very low | 36.2 | Very low | 202 Ų | 202 | 141 Ų | 141 | 79% | 0.792 | 78% | 0.778 | S | S | * | * | cis | -170.8 | 161.8 | -1 | -144.9 | -125.8 | 0 | 0 | 0 | 109.1 | ||||
| 463 | D | 32.7 | Very low | 35.8 | Very low | 143 Ų | 143 | 136.9 Ų | 136.9 | 77% | 0.765 | 78% | 0.777 | S | S | * | * | trans | -95.5 | 140.3 | 169.7 | -161.9 | 5.5 | 0 | 0 | 0 | 108.9 | ||||
| 464 | P | 43.2 | Very low | 35.5 | Very low | 115 Ų | 115 | 141.4 Ų | 141.4 | 75% | 0.747 | 78% | 0.782 | S | S | * | * | trans | -103.9 | 125.9 | -171.7 | 34.8 | -23.6 | 0 | 0 | 0 | 113 | ||||
| 465 | A | 33.8 | Very low | 35.1 | Very low | 83 Ų | 83 | 142.2 Ų | 142.2 | 69% | 0.686 | 78% | 0.782 | S | S | * | * | trans | -172.4 | 108.9 | 148.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 466 | D | 35.4 | Very low | 34.8 | Very low | 164 Ų | 164 | 139.6 Ų | 139.6 | 88% | 0.877 | 78% | 0.779 | S | S | * | * | 160.7 | 130.3 | 111.6 | -86.8 | -29 | 0 | 0 | 0 | 111.5 | |||||
| 467 | D | 34.8 | Very low | 34.8 | Very low | 149 Ų | 149 | 139.5 Ų | 139.5 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | trans | -50.2 | 138.4 | 168.1 | -89.3 | -80 | 0 | 0 | 0 | 112.6 | ||||
| 468 | D | 34.3 | Very low | 35 | Very low | 157 Ų | 157 | 140.9 Ų | 140.9 | 84% | 0.84 | 79% | 0.792 | S | S | * | * | -179.2 | 149.6 | 102.7 | -108.6 | -49.3 | 0 | 0 | 0 | 113 | |||||
| 469 | A | 34.2 | Very low | 34.9 | Very low | 76 Ų | 76 | 137.7 Ų | 137.7 | 63% | 0.628 | 79% | 0.788 | S | S | * | * | trans | -44.7 | 147.3 | -174.4 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 470 | F | 31.8 | Very low | 35.5 | Very low | 208 Ų | 208 | 138 Ų | 138 | 91% | 0.912 | 79% | 0.787 | S | S | * | * | 179.2 | 124.9 | 107.7 | -108.8 | -90.2 | 0 | 0 | 0 | 111.9 | |||||
| 471 | E | 34.9 | Very low | 35.2 | Very low | 169 Ų | 169 | 136.2 Ų | 136.2 | 79% | 0.79 | 79% | 0.793 | S | S | * | * | trans | -75.9 | -179 | 167 | -92.2 | -109.5 | 123.2 | 0 | 0 | 112 | ||||
| 472 | P | 49.8 | Very low | 35.2 | Very low | 102 Ų | 102 | 136.3 Ų | 136.3 | 66% | 0.662 | 80% | 0.801 | S | S | * | * | cis | -137 | 177.4 | -45.5 | 35.9 | -18.4 | 0 | 0 | 0 | 112.5 | ||||
| 473 | A | 31 | Very low | 35.2 | Very low | 102 Ų | 102 | 130.3 Ų | 130.3 | 84% | 0.843 | 80% | 0.801 | S | S | * | * | trans | -175.7 | 135.9 | 134.6 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 474 | E | 30.6 | Very low | 35.1 | Very low | 184 Ų | 184 | 126.9 Ų | 126.9 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | trans | -64.3 | 161 | -179 | -55.8 | 176.9 | 123.7 | 0 | 0 | 114.9 | ||||
| 475 | V | 29.2 | Very low | 34.5 | Very low | 126 Ų | 126 | 126.4 Ų | 126.4 | 76% | 0.764 | 80% | 0.799 | S | S | * | * | 166.8 | 111.9 | 114.5 | 162.2 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 476 | S | 30.6 | Very low | 34.5 | Very low | 111 Ų | 111 | 131.6 Ų | 131.6 | 78% | 0.776 | 81% | 0.809 | S | S | * | * | trans | 51.1 | 119.7 | 133.2 | -46.5 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 477 | L | 33.7 | Very low | 34.2 | Very low | 167 Ų | 167 | 127.3 Ų | 127.3 | 87% | 0.874 | 80% | 0.803 | S | S | * | * | trans | -75.7 | 160.3 | 144.7 | -74.2 | 162.3 | 0 | 0 | 0 | 110.5 | ||||
| 478 | P | 43.7 | Very low | 33.9 | Very low | 131 Ų | 131 | 125.6 Ų | 125.6 | 85% | 0.851 | 81% | 0.81 | S | S | * | * | -145.4 | 168 | 85.2 | 32.9 | -11.7 | 0 | 0 | 0 | 116.3 | |||||
| 479 | A | 34.8 | Very low | 33.7 | Very low | 89 Ų | 89 | 126 Ų | 126 | 74% | 0.736 | 81% | 0.811 | S | S | * | * | trans | -85.2 | -148.4 | -173 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 480 | P | 44.9 | Very low | 34.4 | Very low | 130 Ų | 130 | 127.5 Ų | 127.5 | 84% | 0.844 | 81% | 0.814 | S | S | * | * | -118.8 | 166.3 | -90.9 | 34 | -16.8 | 0 | 0 | 0 | 113.2 | |||||
| 481 | G | 30.6 | Very low | 34.1 | Very low | 84 Ų | 84 | 129.9 Ų | 129.9 | 87% | 0.866 | 82% | 0.817 | S | S | * | * | trans | -106.2 | 122.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 482 | D | 33.8 | Very low | 33.6 | Very low | 171 Ų | 171 | 132.9 Ų | 132.9 | 91% | 0.914 | 82% | 0.821 | S | S | * | * | trans | -84.7 | 159.7 | 177.2 | -170.3 | 19.3 | 0 | 0 | 0 | 112.1 | ||||
| 483 | G | 31.6 | Very low | 32.4 | Very low | 76 Ų | 76 | 135.2 Ų | 135.2 | 78% | 0.784 | 83% | 0.827 | S | S | * | * | trans | 176 | 85.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 484 | G | 30.3 | Very low | 32.2 | Very low | 71 Ų | 71 | 138.3 Ų | 138.3 | 73% | 0.732 | 82% | 0.824 | S | S | * | * | trans | -92 | 167.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 485 | S | 31.5 | Very low | 32.2 | Very low | 105 Ų | 105 | 137.4 Ų | 137.4 | 73% | 0.734 | 82% | 0.82 | S | S | * | * | trans | -172.8 | 123.8 | 132.5 | -129 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 486 | E | 32.4 | Very low | 32.5 | Very low | 192 Ų | 192 | 137.4 Ų | 137.4 | 90% | 0.897 | 82% | 0.823 | S | S | * | * | trans | 42.1 | 137.6 | 138.2 | -56.8 | 179.7 | 114.2 | 0 | 0 | 121 | ||||
| 487 | G | 29.6 | Very low | 32.3 | Very low | 73 Ų | 73 | 137.9 Ų | 137.9 | 75% | 0.753 | 82% | 0.816 | S | S | * | * | cis | 168.2 | 171.2 | 6.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 488 | A | 29.6 | Very low | 32.5 | Very low | 114 Ų | 114 | 136 Ų | 136 | 94% | 0.942 | 81% | 0.814 | S | S | * | * | trans | 85.4 | 132.1 | 161.1 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 489 | L | 29.6 | Very low | 31.6 | Very low | 165 Ų | 165 | 135.3 Ų | 135.3 | 86% | 0.864 | 81% | 0.807 | S | S | * | * | trans | -117.5 | -179.6 | -176.1 | -126.7 | 162.4 | 0 | 0 | 0 | 108.2 | ||||
| 490 | P | 47.9 | Very low | 31.2 | Very low | 108 Ų | 108 | 138 Ų | 138 | 70% | 0.701 | 81% | 0.814 | S | S | * | * | -106.5 | 170.7 | -103 | 39.7 | -25.5 | 0 | 0 | 0 | 115.4 | |||||
| 491 | R | 26.5 | Very low | 30.4 | Very low | 257 Ų | 257 | 135 Ų | 135 | 97% | 0.97 | 81% | 0.807 | S | S | * | * | trans | -150.9 | 148.3 | 147.7 | -93 | -145.9 | 167.1 | 151.7 | -1 | 115.5 | ||||
| 492 | R | 24.4 | Very low | 30.3 | Very low | 233 Ų | 233 | 136 Ų | 136 | 88% | 0.879 | 81% | 0.807 | S | S | * | * | trans | -88.7 | 147.3 | -173.4 | -175.5 | -168.5 | -165.4 | -171.7 | 4.9 | 111.7 | ||||
| 493 | L | 24.4 | Very low | 30 | Very low | 150 Ų | 150 | 133.2 Ų | 133.2 | 79% | 0.785 | 80% | 0.801 | S | S | * | * | trans | 172.7 | 146.9 | 152.4 | -119.4 | 86.9 | 0 | 0 | 0 | 106.4 | ||||
| 494 | E | 26.5 | Very low | 29.9 | Very low | 168 Ų | 168 | 137.6 Ų | 137.6 | 79% | 0.785 | 81% | 0.806 | S | S | * | * | cis | -169.6 | 157 | -6.1 | -139.4 | 169.4 | 98.2 | 0 | 0 | 104.7 | ||||
| 495 | Q | 30.2 | Very low | 30 | Very low | 164 Ų | 164 | 138 Ų | 138 | 77% | 0.766 | 80% | 0.801 | S | S | * | * | trans | -74.2 | 170.9 | 177.1 | -126.1 | 158.8 | -5.7 | 0 | 0 | 110.9 | ||||
| 496 | P | 35.6 | Very low | 29.8 | Very low | 127 Ų | 127 | 140 Ų | 140 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | -154.7 | 166.2 | 74.8 | 35.8 | -12.6 | 0 | 0 | 0 | 118.6 | |||||
| 497 | L | 26.9 | Very low | 29.7 | Very low | 121 Ų | 121 | 139.2 Ų | 139.2 | 63% | 0.634 | 81% | 0.805 | S | S | * | * | trans | -69.2 | 172.7 | 169.6 | -133.1 | 86.1 | 0 | 0 | 0 | 112.8 | T499 | L497-T499 HydrophobicContact CD2-CG2 4.28Š| ||
| 498 | P | 36.8 | Very low | 29.8 | Very low | 127 Ų | 127 | 144.4 Ų | 144.4 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | -135.5 | 166.3 | 104.2 | 37.9 | -26.7 | 0 | 0 | 0 | 115.7 | |||||
| 499 | T | 25.8 | Very low | 29.7 | Very low | 117 Ų | 117 | 145.9 Ų | 145.9 | 72% | 0.718 | 80% | 0.802 | S | S | * | * | trans | -106.7 | -177.7 | -162.4 | -24.4 | 0 | 0 | 0 | 0 | 112 | L497 | L497-T499 HydrophobicContact CD2-CG2 4.28Š| ||
| 500 | V | 27.1 | Very low | 29.7 | Very low | 145 Ų | 145 | 143.1 Ų | 143.1 | 88% | 0.879 | 80% | 0.797 | S | S | * | * | trans | 106.4 | 121.7 | 159.9 | -172.7 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 501 | G | 27.3 | Very low | 28.9 | Very low | 67 Ų | 67 | 141.9 Ų | 141.9 | 69% | 0.691 | 80% | 0.795 | S | S | * | * | cis | 158.1 | 142.8 | -0.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 502 | A | 29.3 | Very low | 29 | Very low | 105 Ų | 105 | 136.5 Ų | 136.5 | 87% | 0.868 | 79% | 0.786 | S | S | * | * | trans | 59 | 148.4 | 152.5 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 503 | S | 26.6 | Very low | 29.3 | Very low | 113 Ų | 113 | 130.3 Ų | 130.3 | 79% | 0.79 | 78% | 0.778 | S | S | * | * | cis | -170.2 | 159.9 | -3.8 | 49.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 504 | L | 30.6 | Very low | 29.5 | Very low | 168 Ų | 168 | 128.9 Ų | 128.9 | 88% | 0.88 | 78% | 0.78 | S | S | * | * | trans | -32.1 | 144.4 | 160.2 | -87.9 | 128.7 | 0 | 0 | 0 | 117.9 | ||||
| 505 | A | 30.8 | Very low | 29.7 | Very low | 78 Ų | 78 | 126.4 Ų | 126.4 | 65% | 0.645 | 78% | 0.782 | S | S | * | * | 160.1 | 130.9 | 108.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 506 | D | 28.6 | Very low | 29.8 | Very low | 147 Ų | 147 | 123.2 Ų | 123.2 | 79% | 0.786 | 78% | 0.778 | S | S | * | * | trans | 50.5 | 124.7 | 139 | -52.5 | -33.2 | 0 | 0 | 0 | 123.3 | ||||
| 507 | L | 29.8 | Very low | 29.5 | Very low | 177 Ų | 177 | 124.6 Ų | 124.6 | 93% | 0.927 | 78% | 0.777 | S | S | * | * | -165.2 | 117.3 | 126.1 | -110.5 | 143.9 | 0 | 0 | 0 | 112 | |||||
| 508 | E | 32 | Very low | 29.6 | Very low | 181 Ų | 181 | 126.8 Ų | 126.8 | 85% | 0.846 | 79% | 0.789 | S | S | * | * | trans | -78.7 | 154.4 | 167.4 | -68 | 171.3 | 98.5 | 0 | 0 | 112.1 | ||||
| 509 | D | 28 | Very low | 29.3 | Very low | 146 Ų | 146 | 126.9 Ų | 126.9 | 78% | 0.781 | 79% | 0.787 | S | S | * | * | trans | 145.9 | 114.1 | 136.9 | -103.9 | -24.5 | 0 | 0 | 0 | 110.5 | ||||
| 510 | S | 29.2 | Very low | 30.7 | Very low | 107 Ų | 107 | 126.7 Ų | 126.7 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | 63.9 | 140.6 | 79.8 | -47.8 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 511 | A | 30.8 | Very low | 31.7 | Very low | 81 Ų | 81 | 125.7 Ų | 125.7 | 67% | 0.669 | 78% | 0.784 | S | S | * | * | cis | -175 | 168.2 | -15.5 | 0 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 512 | D | 27.8 | Very low | 32 | Very low | 145 Ų | 145 | 129.8 Ų | 129.8 | 78% | 0.775 | 79% | 0.79 | S | S | * | * | trans | 86.6 | 103.2 | 152.3 | -61.5 | -29 | 0 | 0 | 0 | 123.6 | ||||
| 513 | S | 31.7 | Very low | 32.9 | Very low | 102 Ų | 102 | 130.6 Ų | 130.6 | 71% | 0.713 | 79% | 0.786 | S | S | * | * | 53.1 | 125.4 | 108.2 | -55.8 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 514 | S | 29.1 | Very low | 33.1 | Very low | 120 Ų | 120 | 130 Ų | 130 | 84% | 0.839 | 79% | 0.788 | S | S | * | * | 168.4 | 142.6 | 109.4 | -70.3 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 515 | S | 29.3 | Very low | 33.2 | Very low | 116 Ų | 116 | 131.2 Ų | 131.2 | 81% | 0.811 | 79% | 0.79 | S | S | * | * | trans | -51.7 | 167.8 | 168 | -44.8 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 516 | S | 32.2 | Very low | 33.1 | Very low | 98 Ų | 98 | 133.4 Ų | 133.4 | 69% | 0.685 | 80% | 0.8 | S | S | * | * | cis | 177.9 | 154.1 | 40.2 | 53.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 517 | L | 30.1 | Very low | 33.2 | Very low | 156 Ų | 156 | 129.8 Ų | 129.8 | 82% | 0.817 | 80% | 0.797 | S | S | * | * | trans | 64.3 | 125.9 | 143.4 | -67.8 | 165.9 | 0 | 0 | 0 | 123.5 | ||||
| 518 | L | 28.1 | Very low | 33.3 | Very low | 167 Ų | 167 | 127.3 Ų | 127.3 | 87% | 0.874 | 80% | 0.795 | S | S | * | * | 170.5 | 151.6 | 109.4 | -86.4 | 170.5 | 0 | 0 | 0 | 114 | |||||
| 519 | V | 31.3 | Very low | 33.4 | Very low | 129 Ų | 129 | 126.3 Ų | 126.3 | 78% | 0.782 | 79% | 0.794 | S | S | * | * | trans | -135.9 | 172.7 | -177.4 | 172.1 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 520 | P | 55 | Low | 34.1 | Very low | 112 Ų | 112 | 125.5 Ų | 125.5 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | cis | -121.4 | -158.6 | -39.5 | 36 | -15.9 | 0 | 0 | 0 | 111.7 | ||||
| 521 | P | 48 | Very low | 34.1 | Very low | 125 Ų | 125 | 124.8 Ų | 124.8 | 81% | 0.812 | 80% | 0.797 | S | S | * | * | -151.8 | 167.2 | 87.3 | 37.2 | -15.9 | 0 | 0 | 0 | 118.4 | |||||
| 522 | D | 33.2 | Very low | 34.2 | Very low | 153 Ų | 153 | 125.5 Ų | 125.5 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | trans | -76 | 169.9 | 169 | -104.6 | -23.4 | 0 | 0 | 0 | 113.3 | ||||
| 523 | P | 48.8 | Very low | 34.2 | Very low | 121 Ų | 121 | 127.3 Ų | 127.3 | 79% | 0.786 | 81% | 0.807 | S | S | * | * | -152.2 | 148.5 | 98 | 37.2 | -17.1 | 0 | 0 | 0 | 119.1 | |||||
| 524 | A | 29.8 | Very low | 34.1 | Very low | 101 Ų | 101 | 126.2 Ų | 126.2 | 84% | 0.835 | 80% | 0.804 | S | S | * | * | 83.5 | 133.4 | 128.4 | 0 | 0 | 0 | 0 | 0 | 124.4 | |||||
| 525 | Q | 33.1 | Very low | 34.2 | Very low | 194 Ų | 194 | 128.3 Ų | 128.3 | 91% | 0.907 | 81% | 0.805 | S | S | * | * | trans | -70.9 | 153.1 | -179.7 | -59.5 | 163.7 | 20.6 | 0 | 0 | 115.4 | ||||
| 526 | S | 30.1 | Very low | 35.3 | Very low | 123 Ų | 123 | 128.6 Ų | 128.6 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | -163.7 | 136.8 | 126.9 | 63 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 527 | G | 29.9 | Very low | 35.2 | Very low | 71 Ų | 71 | 127.5 Ų | 127.5 | 73% | 0.732 | 81% | 0.808 | S | S | * | * | trans | -100.5 | 166.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 528 | S | 30.7 | Very low | 35.2 | Very low | 126 Ų | 126 | 124.1 Ų | 124.1 | 88% | 0.881 | 81% | 0.811 | S | S | * | * | trans | 161.7 | 137.1 | 131.7 | 46.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 529 | I | 34.1 | Very low | 35.3 | Very low | 160 Ų | 160 | 119.6 Ų | 119.6 | 82% | 0.821 | 81% | 0.805 | S | S | * | * | trans | -81.4 | 147.9 | 172.7 | -69.9 | 170.2 | 0 | 0 | 0 | 108.2 | ||||
| 530 | P | 44.2 | Very low | 35.4 | Very low | 129 Ų | 129 | 124.9 Ų | 124.9 | 84% | 0.838 | 81% | 0.811 | S | S | * | * | -144.6 | 166.5 | 98.3 | 29.4 | -6.4 | 0 | 0 | 0 | 117 | |||||
| 531 | A | 29.3 | Very low | 34.4 | Very low | 91 Ų | 91 | 127.8 Ų | 127.8 | 75% | 0.752 | 81% | 0.814 | S | S | * | * | trans | -83.4 | -179.5 | -171.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 532 | A | 32.1 | Very low | 33.7 | Very low | 96 Ų | 96 | 127.8 Ų | 127.8 | 79% | 0.793 | 82% | 0.817 | S | S | * | * | trans | 78.7 | 143.7 | 162.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 533 | E | 27.9 | Very low | 33.8 | Very low | 183 Ų | 183 | 131.5 Ų | 131.5 | 86% | 0.855 | 82% | 0.82 | S | S | * | * | cis | -153 | 140.8 | 24.9 | -82.7 | -174 | 99.9 | 0 | 0 | 108.6 | ||||
| 534 | A | 28.8 | Very low | 33 | Very low | 79 Ų | 79 | 131 Ų | 131 | 65% | 0.653 | 82% | 0.819 | S | S | * | * | 70.9 | 106.9 | 102 | 0 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 535 | L | 32.2 | Very low | 33.4 | Very low | 165 Ų | 165 | 130.9 Ų | 130.9 | 86% | 0.864 | 81% | 0.812 | S | S | * | * | 59.8 | 177 | 129.9 | -64.8 | 169.3 | 0 | 0 | 0 | 119.2 | |||||
| 536 | P | 52.4 | Low | 33.6 | Very low | 121 Ų | 121 | 128.5 Ų | 128.5 | 79% | 0.786 | 81% | 0.805 | S | S | * | * | -134 | 175.8 | -67.2 | 39.2 | -23.2 | 0 | 0 | 0 | 112.8 | |||||
| 537 | G | 29.6 | Very low | 33.9 | Very low | 76 Ų | 76 | 129.6 Ų | 129.6 | 78% | 0.784 | 80% | 0.801 | S | S | * | * | trans | 116.6 | 138.2 | 136.5 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 538 | G | 30.6 | Very low | 34.3 | Very low | 85 Ų | 85 | 131.8 Ų | 131.8 | 88% | 0.876 | 80% | 0.8 | S | S | * | * | trans | 84 | 110.1 | 157 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 539 | G | 30.3 | Very low | 34.9 | Very low | 72 Ų | 72 | 131.6 Ų | 131.6 | 74% | 0.742 | 79% | 0.794 | S | S | * | * | cis | 109.1 | 115.4 | 33 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 540 | R | 34.1 | Very low | 35.5 | Very low | 240 Ų | 240 | 133.8 Ų | 133.8 | 91% | 0.906 | 81% | 0.814 | S | S | * | * | trans | 166.2 | 117.6 | 136.7 | -93.9 | 174.9 | 169.2 | -177.5 | -2.5 | 112.2 | ||||
| 541 | H | 33.4 | Very low | 35.1 | Very low | 172 Ų | 172 | 134 Ų | 134 | 80% | 0.796 | 81% | 0.813 | S | S | * | * | trans | 25.5 | 126.4 | 136.5 | -57.1 | -63.9 | 0 | 0 | 0 | 119.9 | ||||
| 542 | S | 33.2 | Very low | 35.4 | Very low | 125 Ų | 125 | 136.3 Ų | 136.3 | 87% | 0.874 | 82% | 0.816 | S | S | * | * | -157.9 | 143.8 | 97.6 | -154.8 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 543 | R | 35.5 | Very low | 35.6 | Very low | 231 Ų | 231 | 138.5 Ų | 138.5 | 87% | 0.872 | 82% | 0.817 | S | S | * | * | trans | -94.6 | 144.5 | -178.4 | -79.3 | 168.6 | 152.1 | 175.8 | -8 | 110.3 | ||||
| 544 | S | 32.6 | Very low | 36 | Very low | 112 Ų | 112 | 135.9 Ų | 135.9 | 78% | 0.783 | 82% | 0.815 | S | S | * | * | trans | -154.4 | 107.2 | 137.7 | 60.4 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 545 | S | 37.8 | Very low | 36.5 | Very low | 98 Ų | 98 | 139.4 Ų | 139.4 | 69% | 0.685 | 83% | 0.825 | S | S | * | * | 49.6 | 121.9 | 68.7 | -147.9 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 546 | L | 37.5 | Very low | 36.7 | Very low | 144 Ų | 144 | 137.7 Ų | 137.7 | 75% | 0.754 | 82% | 0.823 | S | S | * | * | cis | -147 | 141.2 | 22 | -80.5 | 96 | 0 | 0 | 0 | 108.7 | ||||
| 547 | N | 36.6 | Very low | 35.6 | Very low | 145 Ų | 145 | 138.9 Ų | 138.9 | 78% | 0.775 | 83% | 0.825 | S | S | * | * | 36.5 | 132.2 | 87.6 | -71 | -0.8 | 0 | 0 | 0 | 115.3 | |||||
| 548 | T | 36.6 | Very low | 36.1 | Very low | 117 Ų | 117 | 143.8 Ų | 143.8 | 72% | 0.718 | 83% | 0.828 | S | S | * | * | -175.2 | 125.2 | 76 | -45.3 | 0 | 0 | 0 | 0 | 105.7 | |||||
| 549 | V | 44.3 | Very low | 36.6 | Very low | 123 Ų | 123 | 148.7 Ų | 148.7 | 75% | 0.745 | 82% | 0.824 | S | S | * | * | 52.5 | 124.5 | 82.6 | -170.3 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 550 | V | 46.8 | Very low | 37.1 | Very low | 205 Ų | 205 | 155.6 Ų | 155.6 | 100% | 1.242 | 83% | 0.832 | S | S | * | * | -139.8 | 0 | 56.8 | 173.3 | 0 | 0 | 0 | 0 | 111.3 |
Retrieved 550 of 550 residues in 137 ms
(Link to these results)