| 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 | 48.4 | Very low | 64.6 | Low | 231 Ų | 231 | 133 Ų | 133 | 100% | 1.138 | 68% | 0.679 | S | S | * | * | 0 | -5.3 | 0 | -119.1 | 169.5 | -175.6 | 0 | 0 | 114.8 | |||||
| 2 | M | 54.7 | Low | 65.5 | Low | 168 Ų | 168 | 129.3 Ų | 129.3 | 83% | 0.828 | 67% | 0.667 | S | S | * | * | trans | -109 | 9.1 | -174.9 | -70.5 | -172.6 | 170 | 0 | 0 | 116.1 | P6 | M2-P6 WeakPolarHBondContact O-CD 3.35Š| ||
| 3 | T | 58.4 | Low | 66.2 | Low | 102 Ų | 102 | 128.6 Ų | 128.6 | 63% | 0.626 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -86.2 | -11.1 | 177.3 | 48.8 | 0 | 0 | 0 | 0 | 113.8 | ||
| 4 | F | 58.8 | Low | 66.5 | Low | 155 Ų | 155 | 128.4 Ų | 128.4 | 68% | 0.68 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -92.3 | -24.5 | 178.6 | -76.6 | -86.1 | 0 | 0 | 0 | 113.2 | K7 L8 | F4-K7 PolarHBondContact O-N 3.25Å; F4-L8 WeakPolarHBondContact O-CB 3.26Å; F4-L8 PolarHBondContact O-N 3.39Å |
| 5 | L | 65.3 | Low | 66.8 | Low | 121 Ų | 121 | 122.4 Ų | 122.4 | 63% | 0.634 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -59.5 | -45.8 | 178.1 | -140.7 | 81.7 | 0 | 0 | 0 | 113.8 | K7 L8 L9 | L5-K7 VanDerWaalsContact C-N 3.31Å; L5-K7 PolarHBondContact O-N 3.3Å; L5-L8 PolarHBondContact O-N 2.76Å; L5-L9 WeakPolarHBondContact O-CB 3.45Å; L5-L9 PolarHBondContact O-N 3.4Å |
| 6 | P | 67.5 | Low | 66.7 | Low | 81 Ų | 81 | 123.3 Ų | 123.3 | 53% | 0.526 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -68.6 | -31.1 | 178.4 | 25.3 | -33.4 | 0 | 0 | 0 | 112.3 | M2 L10 | M2-P6 WeakPolarHBondContact O-CD 3.35Å; P6-L10 WeakPolarHBondContact O-CB 3.28Å; P6-L10 PolarHBondContact O-N 2.85Å |
| 7 | K | 69.3 | Low | 66.6 | Low | 148 Ų | 148 | 119.8 Ų | 119.8 | 64% | 0.643 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -72.2 | -38.4 | 176.5 | -67.5 | -179.4 | 176.5 | -179.1 | 0 | 111.9 | F4 L5 L11 | F4-K7 PolarHBondContact O-N 3.25Å; L5-K7 VanDerWaalsContact C-N 3.31Å; L5-K7 PolarHBondContact O-N 3.3Å; K7-L11 WeakPolarHBondContact O-CB 3.4Å; K7-L11 PolarHBondContact O-N 3.04Å |
| 8 | L | 72.3 | Confident | 66.5 | Low | 112 Ų | 112 | 115.9 Ų | 115.9 | 59% | 0.586 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -65.5 | -41.7 | 173.8 | -167.1 | 93.7 | 0 | 0 | 0 | 111.1 | F4 L5 L11 V12 | F4-L8 WeakPolarHBondContact O-CB 3.26Å; F4-L8 PolarHBondContact O-N 3.39Å; L5-L8 PolarHBondContact O-N 2.76Å; L8-L11 PolarHBondContact O-N 2.86Å; L8-V12 VanDerWaalsContact O-CG2 3.23Å; L8-V12 WeakPolarHBondContact O-CG2 3.43Å; L8-V12 PolarHBondContact O-N 3.27Å |
| 9 | L | 71.6 | Confident | 66.3 | Low | 113 Ų | 113 | 114.2 Ų | 114.2 | 59% | 0.592 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -66.1 | -38.9 | 178.5 | -167.1 | 149.6 | 0 | 0 | 0 | 111.6 | L5 V12 L13 | L5-L9 WeakPolarHBondContact O-CB 3.45Å; L5-L9 PolarHBondContact O-N 3.4Å; L9-V12 PolarHBondContact O-N 3.29Å; L9-L13 VanDerWaalsContact O-CB 3.25Å; L9-L13 WeakPolarHBondContact O-CB 3.5Å; L9-L13 PolarHBondContact O-N 2.91Å |
| 10 | L | 72.6 | Confident | 66.1 | Low | 112 Ų | 112 | 113.7 Ų | 113.7 | 59% | 0.586 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -65.8 | -38.5 | 174.6 | -140.2 | 165.2 | 0 | 0 | 0 | 111.6 | P6 L13 L14 | P6-L10 WeakPolarHBondContact O-CB 3.28Å; P6-L10 PolarHBondContact O-N 2.85Å; L10-L13 PolarHBondContact O-N 3.07Å; L10-L14 WeakPolarHBondContact O-CB 3.03Å; L10-L14 PolarHBondContact O-N 2.83Å |
| 11 | L | 72.3 | Confident | 65.7 | Low | 120 Ų | 120 | 114.8 Ų | 114.8 | 63% | 0.628 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -67.8 | -41 | 176.7 | -148.3 | 164.4 | 0 | 0 | 0 | 111.3 | K7 L8 L14 A15 | K7-L11 WeakPolarHBondContact O-CB 3.4Å; K7-L11 PolarHBondContact O-N 3.04Å; L8-L11 PolarHBondContact O-N 2.86Å; L11-L14 PolarHBondContact O-N 3.23Å; L11-A15 WeakPolarHBondContact O-CB 3.13Å; L11-A15 PolarHBondContact O-N 2.88Å |
| 12 | V | 74.9 | Confident | 66.1 | Low | 88 Ų | 88 | 111.7 Ų | 111.7 | 53% | 0.533 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -66.6 | -40.5 | 175.3 | 172.4 | 0 | 0 | 0 | 0 | 111.3 | L8 L9 L14 A15 F16 | L8-V12 VanDerWaalsContact O-CG2 3.23Å; L8-V12 WeakPolarHBondContact O-CG2 3.43Å; L8-V12 PolarHBondContact O-N 3.27Å; L9-V12 PolarHBondContact O-N 3.29Å; V12-L14 VanDerWaalsContact C-N 3.3Å; V12-L14 PolarHBondContact O-N 2.64Å; V12-A15 PolarHBondContact O-N 3.13Å; V12-F16 VanDerWaalsContact O-CB 3.29Å; V12-F16 WeakPolarHBondContact O-CB 3.49Å; V12-F16 PolarHBondContact O-N 3.44Å |
| 13 | L | 74.6 | Confident | 65.7 | Low | 121 Ų | 121 | 112.8 Ų | 112.8 | 63% | 0.634 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -69.7 | -27.9 | 180 | -163 | 124.7 | 0 | 0 | 0 | 112.7 | L9 L10 P17 | L9-L13 VanDerWaalsContact O-CB 3.25Å; L9-L13 WeakPolarHBondContact O-CB 3.5Å; L9-L13 PolarHBondContact O-N 2.91Å; L10-L13 PolarHBondContact O-N 3.07Å; L13-P17 WeakPolarHBondContact O-CD 3.47Å |
| 14 | L | 70.9 | Confident | 65.3 | Low | 126 Ų | 126 | 109.9 Ų | 109.9 | 66% | 0.66 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -86.2 | -32.1 | 175 | -162.5 | 143.1 | 0 | 0 | 0 | 112.4 | L10 L11 V12 P17 | L10-L14 WeakPolarHBondContact O-CB 3.03Å; L10-L14 PolarHBondContact O-N 2.83Å; L11-L14 PolarHBondContact O-N 3.23Å; V12-L14 VanDerWaalsContact C-N 3.3Å; V12-L14 PolarHBondContact O-N 2.64Å; L14-P17 WeakPolarHBondContact O-CD 3.2Å; L14-P17 WeakPolarHBondContact O-CG 3.5Å |
| 15 | A | 70.2 | Confident | 64.4 | Low | 38 Ų | 38 | 108.4 Ų | 108.4 | 31% | 0.314 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -78.4 | -30.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | L11 V12 A18 T19 | L11-A15 WeakPolarHBondContact O-CB 3.13Å; L11-A15 PolarHBondContact O-N 2.88Å; V12-A15 PolarHBondContact O-N 3.13Å; A15-A18 PolarHBondContact O-N 3.32Å; A15-T19 WeakPolarHBondContact O-CG2 3.16Å; A15-T19 PolarHBondContact O-N 3.13Å; A15-T19 PolarHBondContact O-OG1 2.88Å |
| 16 | F | 65.6 | Low | 63.2 | Low | 137 Ų | 137 | 110.9 Ų | 110.9 | 60% | 0.601 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -57.8 | -49.1 | -179.2 | -168 | -103.4 | 0 | 0 | 0 | 113.8 | V12 A18 T19 I20 | V12-F16 VanDerWaalsContact O-CB 3.29Å; V12-F16 WeakPolarHBondContact O-CB 3.49Å; V12-F16 PolarHBondContact O-N 3.44Å; F16-A18 PolarHBondContact O-N 2.97Å; F16-T19 PolarHBondContact O-N 3.01Å; F16-T19 PolarHBondContact O-OG1 3.25Å; F16-I20 HydrophobicContact CD1-CD1 4.09Å; F16-I20 HydrophobicContact CE1-CD1 3.76Å; F16-I20 HydrophobicContact CZ-CD1 4.11Å |
| 17 | P | 64.6 | Low | 61.8 | Low | 63 Ų | 63 | 113.1 Ų | 113.1 | 41% | 0.409 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -67.1 | -36 | 175.6 | 26.1 | -33.9 | 0 | 0 | 0 | 112.6 | L13 L14 T19 I20 I21 | L13-P17 WeakPolarHBondContact O-CD 3.47Å; L14-P17 WeakPolarHBondContact O-CD 3.2Å; L14-P17 WeakPolarHBondContact O-CG 3.5Å; P17-T19 VanDerWaalsContact C-N 3.32Å; P17-T19 PolarHBondContact O-N 2.8Å; P17-I20 PolarHBondContact O-N 2.92Å; P17-I21 WeakPolarHBondContact O-CG1 3.48Å; P17-I21 PolarHBondContact O-N 3.43Å |
| 18 | A | 64.6 | Low | 60.5 | Low | 51 Ų | 51 | 110.3 Ų | 110.3 | 42% | 0.421 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -63.5 | -35.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | A15 F16 I20 M22 | A15-A18 PolarHBondContact O-N 3.32Å; F16-A18 PolarHBondContact O-N 2.97Å; A18-I20 VanDerWaalsContact C-N 3.31Å; A18-I20 PolarHBondContact O-N 2.78Å; A18-M22 PolarHBondContact O-N 3.43Å |
| 19 | T | 64 | Low | 58.7 | Low | 82 Ų | 82 | 109.9 Ų | 109.9 | 50% | 0.503 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -74.5 | -18.4 | 177.8 | 58.7 | 0 | 0 | 0 | 0 | 114.4 | A15 F16 P17 | A15-T19 WeakPolarHBondContact O-CG2 3.16Å; A15-T19 PolarHBondContact O-N 3.13Å; A15-T19 PolarHBondContact O-OG1 2.88Å; F16-T19 PolarHBondContact O-N 3.01Å; F16-T19 PolarHBondContact O-OG1 3.25Å; P17-T19 VanDerWaalsContact C-N 3.32Å; P17-T19 PolarHBondContact O-N 2.8Å |
| 20 | I | 60.7 | Low | 56.9 | Low | 104 Ų | 104 | 113 Ų | 113 | 53% | 0.533 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -85.2 | -36 | 175.9 | -65.2 | 168.3 | 0 | 0 | 0 | 109.9 | F16 P17 A18 M22 K23 | F16-I20 HydrophobicContact CD1-CD1 4.09Å; F16-I20 HydrophobicContact CE1-CD1 3.76Å; F16-I20 HydrophobicContact CZ-CD1 4.11Å; P17-I20 PolarHBondContact O-N 2.92Å; A18-I20 VanDerWaalsContact C-N 3.31Å; A18-I20 PolarHBondContact O-N 2.78Å; I20-M22 VanDerWaalsContact C-N 3.34Å; I20-M22 PolarHBondContact O-N 2.84Å; I20-K23 PolarHBondContact O-N 2.79Å |
| 21 | I | 59.4 | Low | 55 | Low | 137 Ų | 137 | 115.1 Ų | 115.1 | 70% | 0.703 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -67 | -33.1 | 175.2 | -64.5 | 164 | 0 | 0 | 0 | 111.7 | P17 K23 | P17-I21 WeakPolarHBondContact O-CG1 3.48Å; P17-I21 PolarHBondContact O-N 3.43Å; I21-K23 VanDerWaalsContact C-N 3.26Å; I21-K23 PolarHBondContact O-N 3Å |
| 22 | M | 55.3 | Low | 53 | Low | 166 Ų | 166 | 113.1 Ų | 113.1 | 82% | 0.818 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.3 | -2 | 177.6 | -93.5 | -174.4 | 165.6 | 0 | 0 | 115.4 | A18 I20 | A18-M22 PolarHBondContact O-N 3.43Å; I20-M22 VanDerWaalsContact C-N 3.34Å; I20-M22 PolarHBondContact O-N 2.84Å |
| 23 | K | 46.6 | Very low | 50.9 | Low | 191 Ų | 191 | 115.4 Ų | 115.4 | 83% | 0.83 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100 | 23 | 176.5 | -76.1 | -173 | 176.2 | -179.3 | 0 | 113.7 | I20 I21 | I20-K23 PolarHBondContact O-N 2.79Å; I21-K23 VanDerWaalsContact C-N 3.26Å; I21-K23 PolarHBondContact O-N 3Å |
| 24 | G | 49.9 | Very low | 49.1 | Very low | 41 Ų | 41 | 118.5 Ų | 118.5 | 42% | 0.423 | 68% | 0.681 | S | S | . | * | S | Bend | trans | -86.2 | 154.2 | 159 | 0 | 0 | 0 | 0 | 0 | 110.8 | L26 | G24-L26 PolarHBondContact O-N 2.93Š|
| 25 | P | 39.6 | Very low | 47.3 | Very low | 125 Ų | 125 | 120.5 Ų | 120.5 | 81% | 0.812 | 69% | 0.693 | S | S | * | * | trans | -62 | 122 | 180 | 26.1 | -30.6 | 0 | 0 | 0 | 109.8 | V27 | P25-V27 PolarHBondContact O-N 3.27Š| ||
| 26 | L | 39.9 | Very low | 45.9 | Very low | 172 Ų | 172 | 127.6 Ų | 127.6 | 90% | 0.901 | 72% | 0.72 | S | S | * | * | trans | -62.6 | 99.2 | 170.6 | -90.5 | 144.3 | 0 | 0 | 0 | 108.9 | G24 A28 | G24-L26 PolarHBondContact O-N 2.93Å; L26-A28 PolarHBondContact O-N 2.85Å | ||
| 27 | V | 39.5 | Very low | 44.3 | Very low | 129 Ų | 129 | 130.5 Ų | 130.5 | 78% | 0.782 | 74% | 0.735 | S | S | * | * | trans | -81.7 | 106.1 | 159.8 | 176.9 | 0 | 0 | 0 | 0 | 106.4 | P25 A29 | P25-V27 PolarHBondContact O-N 3.27Å; V27-A29 PolarHBondContact O-N 3.1Å | ||
| 28 | A | 40.8 | Very low | 42.7 | Very low | 89 Ų | 89 | 131.6 Ų | 131.6 | 74% | 0.736 | 75% | 0.749 | S | S | * | * | trans | -69.8 | 107.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | L26 | L26-A28 PolarHBondContact O-N 2.85Š| ||
| 29 | A | 36 | Very low | 41.1 | Very low | 103 Ų | 103 | 133.2 Ų | 133.2 | 85% | 0.851 | 76% | 0.762 | S | S | * | * | trans | -80 | 114.8 | 165.3 | 0 | 0 | 0 | 0 | 0 | 107.9 | V27 | V27-A29 PolarHBondContact O-N 3.1Š| ||
| 30 | Q | 33.8 | Very low | 39.5 | Very low | 179 Ų | 179 | 136.5 Ų | 136.5 | 84% | 0.836 | 78% | 0.777 | S | S | * | * | trans | -115 | 107.3 | 178.9 | -164.6 | 173.9 | -6.7 | 0 | 0 | 108.2 | ||||
| 31 | D | 31 | Very low | 38.1 | Very low | 156 Ų | 156 | 139.8 Ų | 139.8 | 83% | 0.834 | 79% | 0.79 | S | S | * | * | trans | 74.3 | 148.5 | 141.7 | -147.2 | 13.7 | 0 | 0 | 0 | 122.8 | ||||
| 32 | A | 31.1 | Very low | 36.7 | Very low | 78 Ų | 78 | 140.5 Ų | 140.5 | 65% | 0.645 | 80% | 0.796 | S | S | * | * | trans | 77.7 | 120.3 | 165.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 33 | T | 31.6 | Very low | 35.6 | Very low | 136 Ų | 136 | 137.2 Ų | 137.2 | 83% | 0.834 | 79% | 0.794 | S | S | * | * | cis | -157.3 | 134.1 | 36.8 | 45.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 34 | E | 36.5 | Very low | 35 | Very low | 185 Ų | 185 | 134.4 Ų | 134.4 | 86% | 0.864 | 79% | 0.793 | S | S | * | * | trans | -79.1 | 137.8 | 158.9 | -66.9 | 176 | 154.2 | 0 | 0 | 109.2 | ||||
| 35 | D | 33.7 | Very low | 34.1 | Very low | 168 Ų | 168 | 140.1 Ų | 140.1 | 90% | 0.898 | 81% | 0.814 | S | S | * | * | trans | -169.7 | 118.1 | 131.8 | -97.6 | -22.5 | 0 | 0 | 0 | 109.2 | ||||
| 36 | E | 38.9 | Very low | 33.8 | Very low | 188 Ų | 188 | 140.7 Ų | 140.7 | 88% | 0.879 | 81% | 0.81 | S | S | * | * | trans | -92.1 | 156.1 | 170.5 | -70.3 | -151.8 | 162.6 | 0 | 0 | 111.1 | ||||
| 37 | E | 33.3 | Very low | 33.6 | Very low | 198 Ų | 198 | 139.1 Ų | 139.1 | 93% | 0.925 | 81% | 0.807 | S | S | * | * | trans | 157.4 | 142.8 | 145.2 | -91.9 | -178.5 | -173.7 | 0 | 0 | 107 | ||||
| 38 | A | 30 | Very low | 33.3 | Very low | 85 Ų | 85 | 139.9 Ų | 139.9 | 70% | 0.702 | 81% | 0.807 | S | S | * | * | cis | -170.2 | 135.7 | -2.2 | 0 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 39 | A | 31 | Very low | 33.1 | Very low | 85 Ų | 85 | 142 Ų | 142 | 70% | 0.702 | 81% | 0.811 | S | S | * | * | 90.1 | 132.5 | 106.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 40 | D | 30.5 | Very low | 32.8 | Very low | 152 Ų | 152 | 143.7 Ų | 143.7 | 81% | 0.813 | 81% | 0.805 | S | S | * | * | trans | 68.5 | 115.5 | 156.3 | -53.2 | -25.2 | 0 | 0 | 0 | 118.5 | ||||
| 41 | E | 30.7 | Very low | 32.8 | Very low | 173 Ų | 173 | 139 Ų | 139 | 81% | 0.808 | 80% | 0.798 | S | S | * | * | 67.5 | 125.8 | 50.5 | -59.2 | -153.8 | -169.3 | 0 | 0 | 116 | |||||
| 42 | D | 31.4 | Very low | 32.8 | Very low | 152 Ų | 152 | 139.7 Ų | 139.7 | 81% | 0.813 | 80% | 0.795 | S | S | * | * | trans | 76.2 | 112.3 | 162.4 | -64.7 | -27.6 | 0 | 0 | 0 | 121.6 | ||||
| 43 | A | 32.5 | Very low | 32.8 | Very low | 96 Ų | 96 | 142.3 Ų | 142.3 | 79% | 0.793 | 80% | 0.799 | S | S | * | * | -179.8 | 117.3 | 102.4 | 0 | 0 | 0 | 0 | 0 | 113 | |||||
| 44 | V | 33.3 | Very low | 32.8 | Very low | 133 Ų | 133 | 144.8 Ų | 144.8 | 81% | 0.806 | 80% | 0.801 | S | S | * | * | trans | -29.2 | 143.8 | 154.9 | -80.2 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 45 | D | 30.7 | Very low | 32.9 | Very low | 161 Ų | 161 | 143.8 Ų | 143.8 | 86% | 0.861 | 80% | 0.802 | S | S | * | * | -163.2 | 134.6 | 113 | -141.6 | -0 | 0 | 0 | 0 | 112.6 | |||||
| 46 | D | 34.5 | Very low | 32.9 | Very low | 137 Ų | 137 | 143.8 Ų | 143.8 | 73% | 0.733 | 80% | 0.802 | S | S | * | * | trans | -73.8 | 145.8 | 179.7 | -66.3 | -64.4 | 0 | 0 | 0 | 112.3 | ||||
| 47 | V | 34 | Very low | 33 | Very low | 138 Ų | 138 | 143.8 Ų | 143.8 | 84% | 0.836 | 80% | 0.802 | S | S | * | * | trans | -156 | 116.5 | 131.8 | 178.3 | 0 | 0 | 0 | 0 | 109.5 | V49 | V47-V49 HydrophobicContact CG1-CG2 4.07Š| ||
| 48 | D | 34.5 | Very low | 33.1 | Very low | 146 Ų | 146 | 139 Ų | 139 | 78% | 0.781 | 80% | 0.795 | S | S | * | * | trans | -93 | 127.5 | 165.6 | -174.4 | 4.8 | 0 | 0 | 0 | 109 | ||||
| 49 | V | 35.7 | Very low | 33.5 | Very low | 133 Ų | 133 | 144 Ų | 144 | 81% | 0.806 | 80% | 0.804 | S | S | * | * | trans | -142 | 108.1 | 157.1 | -173.7 | 0 | 0 | 0 | 0 | 109.6 | V47 | V47-V49 HydrophobicContact CG1-CG2 4.07Š| ||
| 50 | N | 30.3 | Very low | 33.9 | Very low | 139 Ų | 139 | 147 Ų | 147 | 74% | 0.743 | 81% | 0.813 | S | S | * | * | trans | -67 | 144.7 | 169.6 | -167.7 | 17.7 | 0 | 0 | 0 | 113.3 | ||||
| 51 | A | 33.3 | Very low | 34.1 | Very low | 81 Ų | 81 | 148 Ų | 148 | 67% | 0.669 | 81% | 0.813 | S | S | * | * | trans | 169.8 | 120.4 | 135 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 52 | E | 32.1 | Very low | 34.2 | Very low | 169 Ų | 169 | 146.4 Ų | 146.4 | 79% | 0.79 | 81% | 0.81 | S | S | * | * | 43.2 | 136.8 | 127.2 | -57 | -176.3 | -177.1 | 0 | 0 | 117.9 | |||||
| 53 | D | 30.4 | Very low | 34.3 | Very low | 134 Ų | 134 | 146 Ų | 146 | 72% | 0.717 | 81% | 0.808 | S | S | * | * | cis | -178.7 | 178 | 10.1 | -112.9 | -28.8 | 0 | 0 | 0 | 105.3 | ||||
| 54 | E | 32.6 | Very low | 34.3 | Very low | 188 Ų | 188 | 149.3 Ų | 149.3 | 88% | 0.879 | 81% | 0.807 | S | S | * | * | trans | 89.6 | 104.6 | 156.4 | -73.3 | 167.9 | -172 | 0 | 0 | 119.5 | ||||
| 55 | D | 37.4 | Very low | 34.1 | Very low | 164 Ų | 164 | 149.3 Ų | 149.3 | 88% | 0.877 | 80% | 0.803 | S | S | * | * | trans | -52.3 | 139.6 | 151.3 | -69.9 | -45.5 | 0 | 0 | 0 | 111.3 | ||||
| 56 | D | 33.9 | Very low | 34.1 | Very low | 168 Ų | 168 | 148.2 Ų | 148.2 | 90% | 0.898 | 80% | 0.802 | S | S | * | * | trans | -153.3 | 122 | 147.8 | -128.8 | -8.8 | 0 | 0 | 0 | 111 | ||||
| 57 | E | 41.6 | Very low | 34.2 | Very low | 188 Ų | 188 | 149.6 Ų | 149.6 | 88% | 0.879 | 80% | 0.804 | S | S | * | * | trans | -74.2 | 135.5 | 170.1 | -65.8 | -157.1 | 170.2 | 0 | 0 | 110.4 | ||||
| 58 | A | 35.8 | Very low | 34.3 | Very low | 96 Ų | 96 | 150.5 Ų | 150.5 | 79% | 0.793 | 80% | 0.804 | S | S | * | * | trans | -152.4 | 115.7 | 159.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 59 | E | 38 | Very low | 34.2 | Very low | 190 Ų | 190 | 148.7 Ų | 148.7 | 89% | 0.888 | 80% | 0.798 | S | S | * | * | trans | -53.8 | 140.8 | 161.8 | -62.8 | 174.3 | 146.6 | 0 | 0 | 111.8 | ||||
| 60 | V | 39.5 | Very low | 34.2 | Very low | 148 Ų | 148 | 151.7 Ų | 151.7 | 90% | 0.897 | 80% | 0.803 | S | S | * | * | trans | -147.8 | 126.9 | 146.4 | -78.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 61 | E | 34.4 | Very low | 34.4 | Very low | 173 Ų | 173 | 153.4 Ų | 153.4 | 81% | 0.808 | 81% | 0.807 | S | S | * | * | trans | -74.9 | 152.8 | 174.8 | -64.2 | -178.7 | 148.8 | 0 | 0 | 112.7 | ||||
| 62 | D | 32.8 | Very low | 34.9 | Very low | 140 Ų | 140 | 156.3 Ų | 156.3 | 75% | 0.749 | 80% | 0.804 | S | S | * | * | trans | 46.9 | 126.4 | 144.6 | -53.5 | -23.2 | 0 | 0 | 0 | 120.8 | ||||
| 63 | D | 32.9 | Very low | 35.2 | Very low | 145 Ų | 145 | 157.6 Ų | 157.6 | 78% | 0.775 | 81% | 0.81 | S | S | * | * | 169.5 | 156.9 | 77.1 | -143.2 | -13.3 | 0 | 0 | 0 | 113.5 | |||||
| 64 | E | 32.9 | Very low | 35.5 | Very low | 164 Ų | 164 | 159.6 Ų | 159.6 | 77% | 0.766 | 82% | 0.815 | S | S | * | * | trans | 77.3 | 103.1 | 155.5 | -57.9 | -166.6 | 160.4 | 0 | 0 | 123.7 | ||||
| 65 | N | 28.4 | Very low | 35.7 | Very low | 133 Ų | 133 | 157.4 Ų | 157.4 | 71% | 0.711 | 81% | 0.805 | S | S | * | * | 74 | 98 | 117.5 | -161.8 | 15.4 | 0 | 0 | 0 | 120.3 | |||||
| 66 | T | 31.8 | Very low | 35.9 | Very low | 138 Ų | 138 | 158.4 Ų | 158.4 | 85% | 0.847 | 80% | 0.804 | S | S | * | * | trans | -137.2 | 99.6 | 142.9 | 27.9 | 0 | 0 | 0 | 0 | 110.9 | L68 | T66-L68 PolarHBondContact O-N 3.4Š| ||
| 67 | E | 36.1 | Very low | 36.4 | Very low | 166 Ų | 166 | 159.2 Ų | 159.2 | 78% | 0.776 | 80% | 0.803 | S | S | * | * | trans | -54.9 | 111 | 163.4 | -174.7 | 177.7 | -172.1 | 0 | 0 | 110.9 | ||||
| 68 | L | 36.4 | Very low | 36.2 | Very low | 158 Ų | 158 | 158.7 Ų | 158.7 | 83% | 0.827 | 80% | 0.8 | S | S | * | * | trans | -124.7 | 106.8 | 162.2 | -83.4 | 166.1 | 0 | 0 | 0 | 108 | T66 E70 | T66-L68 PolarHBondContact O-N 3.4Å; L68-E70 PolarHBondContact O-N 2.78Å | ||
| 69 | T | 32.3 | Very low | 36.3 | Very low | 108 Ų | 108 | 158.3 Ų | 158.3 | 66% | 0.663 | 80% | 0.797 | S | S | * | * | trans | -59.4 | 103 | 169.5 | 44.8 | 0 | 0 | 0 | 0 | 110.6 | E71 | T69-E71 PolarHBondContact O-N 3.1Š| ||
| 70 | E | 35.9 | Very low | 36.6 | Very low | 195 Ų | 195 | 155.3 Ų | 155.3 | 91% | 0.911 | 79% | 0.792 | S | S | * | * | trans | -85.5 | 92.8 | 158.5 | -75 | -176.6 | 164.2 | 0 | 0 | 108.1 | L68 K72 | L68-E70 PolarHBondContact O-N 2.78Å; E70-K72 PolarHBondContact O-N 3.34Å | ||
| 71 | E | 34.8 | Very low | 36.6 | Very low | 176 Ų | 176 | 151.7 Ų | 151.7 | 82% | 0.822 | 78% | 0.784 | S | S | * | * | trans | -77.9 | 105 | 166.4 | -68.9 | -172.6 | 160.9 | 0 | 0 | 109.1 | T69 | T69-E71 PolarHBondContact O-N 3.1Š| ||
| 72 | K | 43 | Very low | 37.1 | Very low | 142 Ų | 142 | 145.9 Ų | 145.9 | 62% | 0.617 | 77% | 0.771 | S | S | * | * | 66.1 | 78 | 128 | -154.9 | 175.3 | -175.8 | 175.1 | 0 | 117.8 | E70 E75 | E70-K72 PolarHBondContact O-N 3.34Å; K72-E75 WeakPolarHBondContact CE-OE1 3.4Å; K72-E75 WeakPolarHBondContact CE-OE2 3.4Å; K72-E75 VanDerWaalsContact NZ-CD 3.27Å; K72-E75 IonicContact NZ-OE1 2.66Å; K72-E75 PolarHBondContact NZ-OE1 3.43Å; K72-E75 VanDerWaalsContact NZ-OE1 3.1Å; K72-E75 IonicContact NZ-OE2 2.82Å; K72-E75 PolarHBondContact NZ-OE2 3.18Å | |||
| 73 | E | 37.7 | Very low | 38.4 | Very low | 195 Ų | 195 | 147.2 Ų | 147.2 | 91% | 0.911 | 78% | 0.778 | S | S | * | * | trans | -126 | 18.9 | 151.3 | -82.8 | -171.9 | 168.1 | 0 | 0 | 113 | ||||
| 74 | E | 36.6 | Very low | 40.6 | Very low | 177 Ų | 177 | 142.9 Ų | 142.9 | 83% | 0.827 | 76% | 0.757 | S | S | * | * | trans | -94.3 | 9.2 | 178.8 | -69.4 | -173.6 | 156.7 | 0 | 0 | 114.6 | ||||
| 75 | E | 38.2 | Very low | 43.2 | Very low | 142 Ų | 142 | 143.1 Ų | 143.1 | 66% | 0.664 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -94.9 | 5.2 | -174.7 | -111.6 | 178.4 | -154.7 | 0 | 0 | 115.5 | K72 | K72-E75 WeakPolarHBondContact CE-OE1 3.4Å; K72-E75 WeakPolarHBondContact CE-OE2 3.4Å; K72-E75 VanDerWaalsContact NZ-CD 3.27Å; K72-E75 IonicContact NZ-OE1 2.66Å; K72-E75 PolarHBondContact NZ-OE1 3.43Å; K72-E75 VanDerWaalsContact NZ-OE1 3.1Å; K72-E75 IonicContact NZ-OE2 2.82Å; K72-E75 PolarHBondContact NZ-OE2 3.18Å |
| 76 | E | 41.7 | Very low | 46.2 | Very low | 184 Ų | 184 | 138.4 Ų | 138.4 | 86% | 0.86 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -113.9 | -7.1 | 178.5 | -71.5 | -165.4 | 171.3 | 0 | 0 | 116.4 | ||
| 77 | E | 44.4 | Very low | 49.1 | Very low | 185 Ų | 185 | 132.2 Ų | 132.2 | 86% | 0.864 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -101.2 | -10.1 | 178.5 | -68.4 | -163.7 | 162.7 | 0 | 0 | 115 | A79 | E77-A79 PolarHBondContact O-N 2.83Š|
| 78 | E | 36.3 | Very low | 51.8 | Low | 178 Ų | 178 | 130 Ų | 130 | 83% | 0.832 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.6 | 12.6 | -176.5 | -75 | -85.8 | 149.7 | 0 | 0 | 114.1 | ||
| 79 | A | 37.4 | Very low | 54.5 | Low | 87 Ų | 87 | 126.1 Ų | 126.1 | 72% | 0.719 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.2 | 10 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | E77 G81 | E77-A79 PolarHBondContact O-N 2.83Å; A79-G81 VanDerWaalsContact C-N 3.34Å |
| 80 | V | 45.2 | Very low | 57.5 | Low | 128 Ų | 128 | 121.7 Ų | 121.7 | 78% | 0.776 | 65% | 0.651 | S | S | * | * | trans | -101.6 | 30.1 | 175.3 | -162.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 81 | G | 39 | Very low | 60.3 | Low | 72 Ų | 72 | 115.8 Ų | 115.8 | 74% | 0.742 | 63% | 0.626 | S | S | * | * | trans | -109.8 | 10.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | A79 | A79-G81 VanDerWaalsContact C-N 3.34Š| ||
| 82 | G | 45 | Very low | 63.2 | Low | 51 Ų | 51 | 108.5 Ų | 108.5 | 53% | 0.526 | 59% | 0.594 | S | S | . | * | S | Bend | trans | -77.8 | 131.7 | 165.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | V84 | G82-V84 VanDerWaalsContact O-CG2 3.32Å; G82-V84 WeakPolarHBondContact O-CG2 3.49Å; G82-V84 PolarHBondContact O-N 2.87Å |
| 83 | D | 60.4 | Low | 65.7 | Low | 168 Ų | 168 | 106.1 Ų | 106.1 | 90% | 0.898 | 59% | 0.591 | S | S | * | * | trans | -59.6 | 80.6 | 173.2 | -65.2 | -61.6 | 0 | 0 | 0 | 110.4 | K85 | D83-K85 PolarHBondContact O-N 3.43Š| ||
| 84 | V | 77.9 | Confident | 68.5 | Low | 54 Ų | 54 | 98.8 Ų | 98.8 | 33% | 0.327 | 56% | 0.557 | S | S | . | * | trans | -71.6 | 103.5 | 178.5 | -170.8 | 0 | 0 | 0 | 0 | 106.2 | G82 L191 F192 Q193 | G82-V84 VanDerWaalsContact O-CG2 3.32Å; G82-V84 WeakPolarHBondContact O-CG2 3.49Å; G82-V84 PolarHBondContact O-N 2.87Å; V84-L191 HydrophobicContact CG1-CB 4.46Å; V84-L191 WeakPolarHBondContact CG1-O 3.28Å; V84-F192 VanDerWaalsContact CG1-C 3.5Å; V84-F192 VanDerWaalsContact CG1-CA 3.45Å; V84-Q193 HydrophobicContact CB-CB 3.93Å; V84-Q193 HydrophobicContact CG1-CB 3.7Å; V84-Q193 VanDerWaalsContact CG1-N 3.31Å | ||
| 85 | K | 88.3 | Confident | 71.3 | Confident | 168 Ų | 168 | 95.5 Ų | 95.5 | 73% | 0.73 | 55% | 0.545 | S | S | * | . | P | Polyproline II helix | trans | -91.9 | 157.1 | -175.9 | -169.8 | 173.6 | 178.7 | 174.5 | 0 | 110.7 | D83 F192 Q193 | D83-K85 PolarHBondContact O-N 3.43Å; K85-F192 WeakPolarHBondContact O-CD1 3.49Å; K85-Q193 CarbonylContact C-O 3.52Å |
| 86 | A | 92.4 | Very high | 74 | Confident | 34 Ų | 34 | 89.7 Ų | 89.7 | 28% | 0.281 | 52% | 0.518 | S | S | . | . | P | Polyproline II helix | trans | -61.4 | 137 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q193 D194 | A86-Q193 WeakPolarHBondContact CA-O 3.45Å; A86-Q193 PolarHBondContact N-O 3.09Å; A86-D194 HydrophobicContact CB-CB 3.81Å |
| 87 | S | 92.6 | Very high | 76.4 | Confident | 8 Ų | 8 | 85 Ų | 85 | 6% | 0.056 | 50% | 0.501 | C | S | . | . | P | Polyproline II helix | trans | -66.8 | 135.4 | 172.5 | 179.4 | 0 | 0 | 0 | 0 | 110.6 | N89 A90 Y184 | S87-N89 PolarHBondContact O-N 2.82Å; S87-N89 VanDerWaalsContact O-N 3.1Å; S87-N89 PolarHBondContact OG-N 2.98Å; S87-A90 PolarHBondContact O-N 2.84Å; S87-Y184 PolarHBondContact N-OH 2.86Å |
| 88 | P | 92.7 | Very high | 78.5 | Confident | 119 Ų | 119 | 82 Ų | 82 | 77% | 0.773 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -14.1 | 176.5 | 28.6 | -36.1 | 0 | 0 | 0 | 113.5 | ||
| 89 | N | 93.6 | Very high | 80.9 | Confident | 78 Ų | 78 | 75.2 Ų | 75.2 | 42% | 0.417 | 46% | 0.463 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98 | 2.4 | -178.5 | -65 | -28.1 | 0 | 0 | 0 | 113.1 | S87 K117 G118 F122 | S87-N89 PolarHBondContact O-N 2.82Å; S87-N89 VanDerWaalsContact O-N 3.1Å; S87-N89 PolarHBondContact OG-N 2.98Å; N89-K117 WeakPolarHBondContact O-CA 3.37Å; N89-K117 WeakPolarHBondContact O-CB 3.4Å; N89-K117 PolarHBondContact O-N 2.75Å; N89-G118 PolarHBondContact O-N 3.34Å; N89-F122 HydrophobicContact CB-CE2 4.25Å; N89-F122 HydrophobicContact CB-CZ 4.19Å |
| 90 | A | 94.6 | Very high | 83.3 | Confident | 15 Ų | 15 | 77.5 Ų | 77.5 | 12% | 0.124 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 142.3 | 174 | 0 | 0 | 0 | 0 | 0 | 109.3 | S87 F114 F122 Y184 | S87-A90 PolarHBondContact O-N 2.84Å; A90-F114 HydrophobicContact CB-CE2 3.69Å; A90-F114 HydrophobicContact CB-CZ 3.78Å; A90-F122 HydrophobicContact CB-CE2 4.39Å; A90-Y184 HydrophobicContact CB-CE2 3.74Å; A90-Y184 WeakPolarHBondContact CB-OH 3.27Å |
| 91 | D | 95.4 | Very high | 85.3 | Confident | 71 Ų | 71 | 76.7 Ų | 76.7 | 38% | 0.38 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 127.3 | 173.7 | -168.8 | 17.8 | 0 | 0 | 0 | 108.7 | T115 K117 | D91-T115 PolarHBondContact N-O 3.22Å; D91-T115 PolarHBondContact O-N 2.97Å; D91-K117 HydrophobicContact CB-CD 4.2Å; D91-K117 VanDerWaalsContact CG-NZ 3.29Å; D91-K117 VanDerWaalsContact OD2-CE 3.32Å; D91-K117 WeakPolarHBondContact OD2-CE 3.38Å; D91-K117 IonicContact OD2-NZ 2.73Å; D91-K117 PolarHBondContact OD2-NZ 2.85Å |
| 92 | T | 95.6 | Very high | 87.9 | Confident | 23 Ų | 23 | 73.6 Ų | 73.6 | 14% | 0.141 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 151 | -177.3 | 64.8 | 0 | 0 | 0 | 0 | 110.3 | G113 F114 L182 D194 V196 | T92-G113 CarbonylContact C-O 3.56Å; T92-G113 VanDerWaalsContact CA-O 3.31Å; T92-G113 WeakPolarHBondContact CA-O 3.39Å; T92-F114 HydrophobicContact CG2-CD2 3.99Å; T92-L182 HydrophobicContact CG2-CD2 3.9Å; T92-D194 WeakPolarHBondContact CB-OD2 3.35Å; T92-D194 HydrophobicContact CG2-CB 4.32Å; T92-D194 WeakPolarHBondContact CG2-OD2 3.2Å; T92-D194 PolarHBondContact OG1-OD2 2.97Å; T92-V196 HydrophobicContact CG2-CG2 4.16Å |
| 93 | T | 94.9 | Very high | 90.2 | Very high | 92 Ų | 92 | 72.2 Ų | 72.2 | 56% | 0.564 | 40% | 0.402 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 145.5 | 178 | -103 | 0 | 0 | 0 | 0 | 108.5 | M112 G113 | T93-M112 CarbonylContact O-C 3.5Å; T93-M112 WeakPolarHBondContact O-CA 3.5Å; T93-G113 PolarHBondContact N-O 2.76Å; T93-G113 PolarHBondContact O-N 2.95Å |
| 94 | I | 95.5 | Very high | 91.7 | Very high | 40 Ų | 40 | 64.4 Ų | 64.4 | 21% | 0.205 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 143 | 175.7 | -172.1 | 168.5 | 0 | 0 | 0 | 110.4 | F96 F110 L111 I180 V196 F197 | I94-F96 HydrophobicContact CD1-CE1 4.38Å; I94-F96 HydrophobicContact CD1-CE2 4.1Å; I94-F96 HydrophobicContact CD1-CZ 3.82Å; I94-F96 HydrophobicContact CG1-CE2 4.42Å; I94-F110 HydrophobicContact CD1-CB 4.3Å; I94-F110 HydrophobicContact CD1-CD1 4.44Å; I94-F110 HydrophobicContact CD1-CD2 3.71Å; I94-F110 HydrophobicContact CD1-CE2 4.08Å; I94-F110 HydrophobicContact CD1-CG 3.91Å; I94-F110 HydrophobicContact CG1-CB 4.15Å; I94-F110 HydrophobicContact CG1-CD2 3.87Å; I94-F110 HydrophobicContact CG1-CG 4.17Å; I94-L111 CarbonylContact C-O 3.5Å; I94-L111 WeakPolarHBondContact CA-O 3.46Å; I94-I180 HydrophobicContact CD1-CD1 3.43Å; I94-I180 VanDerWaalsContact CD1-CD1 3.43Å; I94-V196 HydrophobicContact CB-CG1 3.86Å; I94-V196 HydrophobicContact CG2-CG1 4.16Å; I94-F197 HydrophobicContact CD1-CB 4.02Å; I94-F197 HydrophobicContact CD1-CG 4.47Å; I94-F197 HydrophobicContact CG2-CD2 4.1Å |
| 95 | L | 95.6 | Very high | 92.4 | Very high | 109 Ų | 109 | 66.3 Ų | 66.3 | 57% | 0.571 | 37% | 0.369 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138 | 116 | 175 | -179.5 | 67.6 | 0 | 0 | 0 | 109.8 | F110 L111 | L95-F110 CarbonylContact O-C 3.52Å; L95-F110 VanDerWaalsContact O-CA 3.23Å; L95-F110 WeakPolarHBondContact O-CA 3.47Å; L95-F110 WeakPolarHBondContact O-CB 3.49Å; L95-L111 PolarHBondContact N-O 3.14Å; L95-L111 PolarHBondContact O-N 2.92Å |
| 96 | F | 95.5 | Very high | 92.6 | Very high | 20 Ų | 20 | 60.5 Ų | 60.5 | 9% | 0.088 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 128.1 | 171.4 | -66.4 | -81.2 | 0 | 0 | 0 | 110.6 | I94 G99 F102 V108 F110 L178 I180 F197 | I94-F96 HydrophobicContact CD1-CE1 4.38Å; I94-F96 HydrophobicContact CD1-CE2 4.1Å; I94-F96 HydrophobicContact CD1-CZ 3.82Å; I94-F96 HydrophobicContact CG1-CE2 4.42Å; F96-G99 WeakPolarHBondContact CB-O 3.26Å; F96-G99 PolarHBondContact O-N 2.78Å; F96-F102 AromaticContact CD1-CE1 3.92Å; F96-F102 HydrophobicContact CD1-CE1 3.92Å; F96-F102 HydrophobicContact CD1-CZ 4.02Å; F96-F102 HydrophobicContact CD2-CZ 4.42Å; F96-F102 AromaticContact CE1-CE1 3.58Å; F96-F102 HydrophobicContact CE1-CE1 3.58Å; F96-F102 AromaticContact CE1-CZ 3.76Å; F96-F102 HydrophobicContact CE1-CZ 3.76Å; F96-F102 HydrophobicContact CE2-CZ 4.18Å; F96-F102 HydrophobicContact CG-CZ 4.36Å; F96-F102 HydrophobicContact CZ-CE1 4.07Å; F96-F102 AromaticContact CZ-CZ 3.85Å; F96-F102 HydrophobicContact CZ-CZ 3.85Å; F96-V108 HydrophobicContact CD1-CG1 4.26Å; F96-F110 HydrophobicContact CD1-CB 3.66Å; F96-F110 HydrophobicContact CD1-CD1 4.35Å; F96-F110 HydrophobicContact CD1-CG 4.41Å; F96-F110 HydrophobicContact CE1-CB 3.93Å; F96-F110 AromaticContact CE1-CD1 3.9Å; F96-F110 HydrophobicContact CE1-CD1 3.9Å; F96-F110 HydrophobicContact CE1-CG 4.21Å; F96-F110 HydrophobicContact CG-CB 4.24Å; F96-L178 HydrophobicContact CE1-CD2 4.32Å; F96-L178 HydrophobicContact CZ-CD2 4.05Å; F96-I180 HydrophobicContact CE1-CD1 4.46Å; F96-I180 HydrophobicContact CZ-CD1 4.17Å; F96-F197 AromaticContact CE2-CD2 3.97Å; F96-F197 HydrophobicContact CE2-CD2 3.97Å; F96-F197 AromaticContact CE2-CE2 3.72Å; F96-F197 HydrophobicContact CE2-CE2 3.72Å; F96-F197 HydrophobicContact CE2-CG 4.47Å; F96-F197 HydrophobicContact CE2-CZ 4.01Å; F96-F197 HydrophobicContact CZ-CD1 4.4Å; F96-F197 HydrophobicContact CZ-CD2 4.31Å; F96-F197 HydrophobicContact CZ-CE1 4.35Å; F96-F197 HydrophobicContact CZ-CE2 4.27Å; F96-F197 HydrophobicContact CZ-CG 4.36Å; F96-F197 HydrophobicContact CZ-CZ 4.28Å |
| 97 | V | 92.4 | Very high | 92.7 | Very high | 84 Ų | 84 | 62.7 Ų | 62.7 | 51% | 0.509 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -34.8 | -172.2 | 179.7 | 0 | 0 | 0 | 0 | 111.8 | K109 L111 | V97-K109 HydrophobicContact CB-CB 4.21Å; V97-K109 HydrophobicContact CG2-CB 4.08Å; V97-K109 PolarHBondContact N-O 3.18Å; V97-L111 HydrophobicContact CG2-CD1 4.38Å; V97-L111 HydrophobicContact CG2-CG 4.21Å |
| 98 | K | 88.6 | Confident | 92.8 | Very high | 124 Ų | 124 | 62.6 Ų | 62.6 | 54% | 0.539 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97 | 9 | -179 | -70 | -177.6 | 177.9 | 171.9 | 0 | 113.5 | I107 | K98-I107 PolarHBondContact NZ-O 2.62Š|
| 99 | G | 87.2 | Confident | 92.9 | Very high | 34 Ų | 34 | 60.5 Ų | 60.5 | 35% | 0.351 | 33% | 0.33 | S | S | . | . | trans | 85 | -156.4 | -173.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | F96 D101 | F96-G99 WeakPolarHBondContact CB-O 3.26Å; F96-G99 PolarHBondContact O-N 2.78Å; G99-D101 VanDerWaalsContact C-N 3.33Å | ||
| 100 | D | 86.1 | Confident | 93 | Very high | 135 Ų | 135 | 56.8 Ų | 56.8 | 72% | 0.722 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -93.4 | 11.1 | -171.3 | -57.1 | -34.7 | 0 | 0 | 0 | 113.5 | F102 | D100-F102 WeakPolarHBondContact O-CD2 3.33Å; D100-F102 VanDerWaalsContact O-CE2 3.25Å; D100-F102 WeakPolarHBondContact O-CE2 3.16Å |
| 101 | D | 88.7 | Confident | 93.1 | Very high | 112 Ų | 112 | 58.9 Ų | 58.9 | 60% | 0.599 | 32% | 0.319 | S | S | * | . | trans | -92.4 | 127.9 | 176.9 | -69.1 | -29.6 | 0 | 0 | 0 | 110.6 | G99 P103 | G99-D101 VanDerWaalsContact C-N 3.33Å; D101-P103 WeakPolarHBondContact O-CD 3.46Å | ||
| 102 | F | 93.5 | Very high | 93.1 | Very high | 6 Ų | 6 | 55.5 Ų | 55.5 | 3% | 0.026 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 82 | -178.2 | -62.6 | -92.5 | 0 | 0 | 0 | 110.1 | F96 D100 V108 F165 L178 V201 I203 T204 | F96-F102 AromaticContact CD1-CE1 3.92Å; F96-F102 HydrophobicContact CD1-CE1 3.92Å; F96-F102 HydrophobicContact CD1-CZ 4.02Å; F96-F102 HydrophobicContact CD2-CZ 4.42Å; F96-F102 AromaticContact CE1-CE1 3.58Å; F96-F102 HydrophobicContact CE1-CE1 3.58Å; F96-F102 AromaticContact CE1-CZ 3.76Å; F96-F102 HydrophobicContact CE1-CZ 3.76Å; F96-F102 HydrophobicContact CE2-CZ 4.18Å; F96-F102 HydrophobicContact CG-CZ 4.36Å; F96-F102 HydrophobicContact CZ-CE1 4.07Å; F96-F102 AromaticContact CZ-CZ 3.85Å; F96-F102 HydrophobicContact CZ-CZ 3.85Å; D100-F102 WeakPolarHBondContact O-CD2 3.33Å; D100-F102 VanDerWaalsContact O-CE2 3.25Å; D100-F102 WeakPolarHBondContact O-CE2 3.16Å; F102-V108 HydrophobicContact CB-CG2 4.48Å; F102-V108 HydrophobicContact CD1-CB 4.47Å; F102-V108 HydrophobicContact CD1-CG1 3.75Å; F102-V108 HydrophobicContact CD1-CG2 4.03Å; F102-V108 HydrophobicContact CE1-CG1 3.83Å; F102-F165 HydrophobicContact CD1-CZ 4.22Å; F102-F165 HydrophobicContact CE1-CZ 4.26Å; F102-L178 HydrophobicContact CE1-CD2 3.77Å; F102-L178 HydrophobicContact CZ-CD2 4.14Å; F102-V201 HydrophobicContact CD2-CB 3.79Å; F102-V201 HydrophobicContact CD2-CG1 4.15Å; F102-V201 HydrophobicContact CD2-CG2 4.26Å; F102-V201 HydrophobicContact CE2-CB 3.78Å; F102-V201 HydrophobicContact CE2-CG1 3.59Å; F102-V201 HydrophobicContact CE2-CG2 4.43Å; F102-V201 HydrophobicContact CG-CB 4.4Å; F102-V201 HydrophobicContact CG-CG2 4.38Å; F102-V201 HydrophobicContact CZ-CB 4.37Å; F102-V201 HydrophobicContact CZ-CG1 3.89Å; F102-I203 HydrophobicContact CB-CD1 3.68Å; F102-I203 CarbonylContact O-C 3.52Å; F102-I203 VanDerWaalsContact O-CA 3.26Å; F102-I203 WeakPolarHBondContact O-CA 3.37Å; F102-I203 WeakPolarHBondContact O-CG2 3.31Å; F102-T204 PolarHBondContact O-N 3.1Å; F102-T204 PolarHBondContact O-OG1 3.4Å |
| 103 | P | 92.9 | Very high | 93.1 | Very high | 23 Ų | 23 | 55 Ų | 55 | 15% | 0.149 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 136.9 | 179.8 | 28 | -35.3 | 0 | 0 | 0 | 112.1 | D101 D106 T204 | D101-P103 WeakPolarHBondContact O-CD 3.46Å; P103-D106 HydrophobicContact CB-CB 3.84Å; P103-D106 HydrophobicContact CG-CB 3.54Å; P103-T204 CarbonylContact C-O 3.56Å; P103-T204 WeakPolarHBondContact CA-O 2.87Å; P103-T204 VanDerWaalsContact CA-OG1 3.31Å; P103-T204 WeakPolarHBondContact CA-OG1 3.32Å |
| 104 | A | 92.6 | Very high | 93.3 | Very high | 3 Ų | 3 | 50.7 Ų | 50.7 | 3% | 0.025 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | 143 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | D106 I203 T204 | A104-D106 PolarHBondContact O-N 2.89Å; A104-D106 VanDerWaalsContact O-N 3.1Å; A104-I203 HydrophobicContact CB-CG2 3.79Å; A104-T204 WeakPolarHBondContact CB-O 3.45Å; A104-T204 PolarHBondContact N-O 3.23Å |
| 105 | N | 91.8 | Very high | 93.3 | Very high | 95 Ų | 95 | 50.9 Ų | 50.9 | 51% | 0.508 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.6 | 15.6 | -179.7 | -158.7 | 25.9 | 0 | 0 | 0 | 115.1 | P167 E169 | N105-P167 WeakPolarHBondContact CA-O 3.24Å; N105-P167 PolarHBondContact N-O 2.9Å; N105-E169 HydrophobicContact CB-CB 4.34Å |
| 106 | D | 92.3 | Very high | 93.4 | Very high | 46 Ų | 46 | 45.7 Ų | 45.7 | 25% | 0.246 | 25% | 0.25 | C | S | . | . | S | Bend | trans | -121.7 | 151.6 | 179 | -97.8 | 12.3 | 0 | 0 | 0 | 110.6 | P103 A104 V108 P167 R206 | P103-D106 HydrophobicContact CB-CB 3.84Å; P103-D106 HydrophobicContact CG-CB 3.54Å; A104-D106 PolarHBondContact O-N 2.89Å; A104-D106 VanDerWaalsContact O-N 3.1Å; D106-V108 PolarHBondContact O-N 2.86Å; D106-P167 VanDerWaalsContact O-CD 3.32Å; D106-P167 WeakPolarHBondContact O-CD 3.29Å; D106-R206 IonicContact OD1-CZ 3.83Å; D106-R206 IonicContact OD1-NH1 3.1Å; D106-R206 PolarHBondContact OD1-NH1 3.44Å; D106-R206 IonicContact OD2-NH1 2.78Å |
| 107 | I | 93.8 | Very high | 93.4 | Very high | 79 Ų | 79 | 50.9 Ų | 50.9 | 41% | 0.405 | 27% | 0.273 | S | S | . | . | trans | -72.5 | 118 | -180 | -55.6 | 170.9 | 0 | 0 | 0 | 109.5 | K98 K109 I166 | K98-I107 PolarHBondContact NZ-O 2.62Å; I107-K109 HydrophobicContact CG2-CD 4.5Å; I107-K109 HydrophobicContact CG2-CG 3.77Å; I107-I166 HydrophobicContact CB-CG1 4.49Å; I107-I166 HydrophobicContact CG1-CD1 4.03Å; I107-I166 HydrophobicContact CG1-CG1 3.88Å | ||
| 108 | V | 94.8 | Very high | 93.3 | Very high | 7 Ų | 7 | 47.5 Ų | 47.5 | 4% | 0.042 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 132.1 | 165.6 | 178.9 | 0 | 0 | 0 | 0 | 108.2 | F96 F102 D106 S164 F165 P167 | F96-V108 HydrophobicContact CD1-CG1 4.26Å; F102-V108 HydrophobicContact CB-CG2 4.48Å; F102-V108 HydrophobicContact CD1-CB 4.47Å; F102-V108 HydrophobicContact CD1-CG1 3.75Å; F102-V108 HydrophobicContact CD1-CG2 4.03Å; F102-V108 HydrophobicContact CE1-CG1 3.83Å; D106-V108 PolarHBondContact O-N 2.86Å; V108-S164 CarbonylContact O-C 3.59Å; V108-S164 WeakPolarHBondContact O-CA 2.88Å; V108-S164 WeakPolarHBondContact O-CB 3.01Å; V108-F165 HydrophobicContact CB-CE1 4.14Å; V108-F165 HydrophobicContact CB-CE2 4.15Å; V108-F165 HydrophobicContact CB-CZ 3.95Å; V108-F165 HydrophobicContact CG1-CE1 3.84Å; V108-F165 HydrophobicContact CG1-CE2 4.43Å; V108-F165 HydrophobicContact CG1-CZ 3.75Å; V108-F165 HydrophobicContact CG2-CE2 4.48Å; V108-F165 PolarHBondContact N-O 3.45Å; V108-F165 PolarHBondContact O-N 3.15Å; V108-P167 HydrophobicContact CG2-CG 4.04Å |
| 109 | K | 95.4 | Very high | 93.6 | Very high | 74 Ų | 74 | 46.1 Ų | 46.1 | 32% | 0.322 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 139.1 | -179.1 | -61.5 | -167.6 | 162.3 | -152.5 | 0 | 110.7 | V97 I107 E162 Y163 | V97-K109 HydrophobicContact CB-CB 4.21Å; V97-K109 HydrophobicContact CG2-CB 4.08Å; V97-K109 PolarHBondContact N-O 3.18Å; I107-K109 HydrophobicContact CG2-CD 4.5Å; I107-K109 HydrophobicContact CG2-CG 3.77Å; K109-E162 WeakPolarHBondContact CD-OE1 3.49Å; K109-E162 IonicContact NZ-OE1 3.96Å; K109-E162 PolarHBondContact NZ-OE1 2.84Å; K109-Y163 WeakPolarHBondContact CA-O 3.47Å |
| 110 | F | 95.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 157 | 169.7 | 65.6 | -99.5 | 0 | 0 | 0 | 111.7 | I94 L95 F96 M112 L127 Y163 F165 I180 | I94-F110 HydrophobicContact CD1-CB 4.3Å; I94-F110 HydrophobicContact CD1-CD1 4.44Å; I94-F110 HydrophobicContact CD1-CD2 3.71Å; I94-F110 HydrophobicContact CD1-CE2 4.08Å; I94-F110 HydrophobicContact CD1-CG 3.91Å; I94-F110 HydrophobicContact CG1-CB 4.15Å; I94-F110 HydrophobicContact CG1-CD2 3.87Å; I94-F110 HydrophobicContact CG1-CG 4.17Å; L95-F110 CarbonylContact O-C 3.52Å; L95-F110 VanDerWaalsContact O-CA 3.23Å; L95-F110 WeakPolarHBondContact O-CA 3.47Å; L95-F110 WeakPolarHBondContact O-CB 3.49Å; F96-F110 HydrophobicContact CD1-CB 3.66Å; F96-F110 HydrophobicContact CD1-CD1 4.35Å; F96-F110 HydrophobicContact CD1-CG 4.41Å; F96-F110 HydrophobicContact CE1-CB 3.93Å; F96-F110 AromaticContact CE1-CD1 3.9Å; F96-F110 HydrophobicContact CE1-CD1 3.9Å; F96-F110 HydrophobicContact CE1-CG 4.21Å; F96-F110 HydrophobicContact CG-CB 4.24Å; F110-M112 HydrophobicContact CD2-CB 4.24Å; F110-M112 HydrophobicContact CE2-CB 4.08Å; F110-L127 HydrophobicContact CE2-CD1 3.78Å; F110-L127 HydrophobicContact CE2-CD2 4.43Å; F110-L127 HydrophobicContact CZ-CD1 4.02Å; F110-L127 HydrophobicContact CZ-CD2 3.89Å; F110-Y163 HydrophobicContact CD1-CD1 4.35Å; F110-Y163 AromaticContact CE1-CD1 3.38Å; F110-Y163 HydrophobicContact CE1-CD1 3.38Å; F110-Y163 HydrophobicContact CE1-CE1 4.2Å; F110-Y163 HydrophobicContact CE1-CG 4.19Å; F110-Y163 HydrophobicContact CE2-CD1 4.4Å; F110-Y163 HydrophobicContact CE2-CG 4.47Å; F110-Y163 AromaticContact CZ-CD1 3.4Å; F110-Y163 HydrophobicContact CZ-CD1 3.4Å; F110-Y163 HydrophobicContact CZ-CE1 4.33Å; F110-Y163 AromaticContact CZ-CG 3.83Å; F110-Y163 HydrophobicContact CZ-CG 3.83Å; F110-Y163 PolarHBondContact N-O 2.87Å; F110-Y163 PolarHBondContact O-N 3.18Å; F110-F165 HydrophobicContact CD1-CD1 4.44Å; F110-F165 HydrophobicContact CD1-CE1 4.05Å; F110-F165 HydrophobicContact CE1-CD1 4.07Å; F110-F165 AromaticContact CE1-CE1 3.91Å; F110-F165 HydrophobicContact CE1-CE1 3.91Å; F110-I180 HydrophobicContact CD1-CD1 4.01Å; F110-I180 HydrophobicContact CE1-CD1 3.47Å; F110-I180 VanDerWaalsContact CE1-CD1 3.47Å; F110-I180 HydrophobicContact CE1-CG1 4.27Å; F110-I180 HydrophobicContact CE2-CD1 4.3Å; F110-I180 HydrophobicContact CE2-CG2 4.17Å; F110-I180 HydrophobicContact CZ-CD1 3.65Å; F110-I180 HydrophobicContact CZ-CG1 4.21Å; F110-I180 HydrophobicContact CZ-CG2 3.78Å |
| 111 | L | 96.3 | Very high | 94.3 | Very high | 59 Ų | 59 | 45.2 Ų | 45.2 | 31% | 0.309 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 126.9 | 172.2 | -66.6 | 166.7 | 0 | 0 | 0 | 108 | I94 L95 V97 T160 F161 E162 | I94-L111 CarbonylContact C-O 3.5Å; I94-L111 WeakPolarHBondContact CA-O 3.46Å; L95-L111 PolarHBondContact N-O 3.14Å; L95-L111 PolarHBondContact O-N 2.92Å; V97-L111 HydrophobicContact CG2-CD1 4.38Å; V97-L111 HydrophobicContact CG2-CG 4.21Å; L111-T160 HydrophobicContact CB-CG2 4.11Å; L111-T160 HydrophobicContact CD2-CG2 4.22Å; L111-F161 CarbonylContact C-O 3.54Å; L111-F161 WeakPolarHBondContact CA-O 3.36Å; L111-E162 HydrophobicContact CD2-CB 3.84Å; L111-E162 HydrophobicContact CD2-CG 4.23Å |
| 112 | M | 96 | Very high | 94.7 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 116.8 | 176.6 | 174.8 | -90.7 | -62 | 0 | 0 | 108.2 | T93 F110 L127 L149 T160 F161 L182 | T93-M112 CarbonylContact O-C 3.5Å; T93-M112 WeakPolarHBondContact O-CA 3.5Å; F110-M112 HydrophobicContact CD2-CB 4.24Å; F110-M112 HydrophobicContact CE2-CB 4.08Å; M112-L127 HydrophobicContact CB-CD1 4.2Å; M112-L127 HydrophobicContact CE-CB 4.27Å; M112-L127 HydrophobicContact CE-CD1 3.41Å; M112-L127 VanDerWaalsContact CE-CD1 3.41Å; M112-L127 HydrophobicContact CE-CG 4.45Å; M112-L127 HydrophobicContact CG-CD1 4.12Å; M112-L149 HydrophobicContact CE-CD1 4.19Å; M112-T160 CarbonylContact O-C 3.19Å; M112-T160 VanDerWaalsContact O-CA 3.29Å; M112-T160 WeakPolarHBondContact O-CA 3.26Å; M112-F161 HydrophobicContact CE-CB 3.82Å; M112-F161 HydrophobicContact CE-CD2 3.26Å; M112-F161 HydrophobicContact CE-CE2 4.06Å; M112-F161 HydrophobicContact CE-CG 3.85Å; M112-F161 PolarHBondContact N-O 3.02Å; M112-F161 PolarHBondContact O-N 3Å; M112-F161 HydrophobicContact SD-CD2 3.58Å; M112-F161 VanDerWaalsContact SD-CD2 3.58Å; M112-F161 HydrophobicContact SD-CE2 4.15Å; M112-L182 HydrophobicContact CE-CD1 3.34Å; M112-L182 HydrophobicContact CE-CD2 4.3Å; M112-L182 HydrophobicContact CE-CG 4.37Å; M112-L182 HydrophobicContact SD-CD1 3.87Å; M112-L182 HydrophobicContact SD-CD2 3.64Å; M112-L182 HydrophobicContact SD-CG 4.29Å |
| 113 | G | 96.4 | Very high | 94.9 | Very high | 13 Ų | 13 | 41.3 Ų | 41.3 | 13% | 0.134 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 131.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | T92 T93 A159 | T92-G113 CarbonylContact C-O 3.56Å; T92-G113 VanDerWaalsContact CA-O 3.31Å; T92-G113 WeakPolarHBondContact CA-O 3.39Å; T93-G113 PolarHBondContact N-O 2.76Å; T93-G113 PolarHBondContact O-N 2.95Å; G113-A159 WeakPolarHBondContact CA-O 3.47Å |
| 114 | F | 97.3 | Very high | 95 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 122.8 | 173.1 | -179.6 | -90.4 | 0 | 0 | 0 | 108.8 | A90 T92 N116 F122 V124 V153 Q158 A159 F161 L182 Y184 | A90-F114 HydrophobicContact CB-CE2 3.69Å; A90-F114 HydrophobicContact CB-CZ 3.78Å; T92-F114 HydrophobicContact CG2-CD2 3.99Å; F114-N116 HydrophobicContact CE1-CB 4.2Å; F114-F122 HydrophobicContact CE1-CB 3.91Å; F114-F122 HydrophobicContact CE1-CD2 4.15Å; F114-F122 HydrophobicContact CE1-CG 4.34Å; F114-F122 HydrophobicContact CZ-CB 3.83Å; F114-F122 AromaticContact CZ-CD2 3.88Å; F114-F122 HydrophobicContact CZ-CD2 3.88Å; F114-F122 AromaticContact CZ-CG 3.95Å; F114-F122 HydrophobicContact CZ-CG 3.95Å; F114-V124 HydrophobicContact CD1-CG2 4.05Å; F114-V124 HydrophobicContact CD2-CG2 4.35Å; F114-V124 HydrophobicContact CE1-CG2 4.26Å; F114-V124 HydrophobicContact CG-CG2 4.09Å; F114-V124 HydrophobicContact CZ-CG2 4.49Å; F114-V153 HydrophobicContact CD1-CB 4.02Å; F114-V153 HydrophobicContact CD1-CG1 3.97Å; F114-V153 HydrophobicContact CD1-CG2 3.87Å; F114-V153 HydrophobicContact CE1-CB 4.02Å; F114-V153 HydrophobicContact CE1-CG1 4.19Å; F114-V153 HydrophobicContact CE1-CG2 4.24Å; F114-Q158 CarbonylContact O-C 3.57Å; F114-Q158 WeakPolarHBondContact O-CA 3.22Å; F114-Q158 WeakPolarHBondContact O-CB 3.31Å; F114-A159 PolarHBondContact N-O 2.82Å; F114-A159 PolarHBondContact O-N 3.33Å; F114-F161 HydrophobicContact CB-CE2 3.99Å; F114-L182 HydrophobicContact CB-CD2 4.47Å; F114-L182 HydrophobicContact CD2-CD2 3.51Å; F114-L182 HydrophobicContact CE2-CD2 4.18Å; F114-L182 HydrophobicContact CG-CD2 4.37Å; F114-Y184 HydrophobicContact CE2-CD1 4.13Å; F114-Y184 AromaticContact CE2-CD2 3.92Å; F114-Y184 HydrophobicContact CE2-CD2 3.92Å; F114-Y184 HydrophobicContact CE2-CE1 4.24Å; F114-Y184 AromaticContact CE2-CE2 3.99Å; F114-Y184 HydrophobicContact CE2-CE2 3.99Å; F114-Y184 AromaticContact CE2-CG 3.98Å; F114-Y184 HydrophobicContact CE2-CG 3.98Å; F114-Y184 AromaticContact CZ-CD2 3.94Å; F114-Y184 HydrophobicContact CZ-CD2 3.94Å; F114-Y184 HydrophobicContact CZ-CE2 4.13Å; F114-Y184 HydrophobicContact CZ-CG 4.33Å |
| 115 | T | 96.9 | Very high | 95.2 | Very high | 44 Ų | 44 | 42.1 Ų | 42.1 | 27% | 0.27 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 117.6 | 179.5 | -56 | 0 | 0 | 0 | 0 | 109.7 | D91 K117 Q158 | D91-T115 PolarHBondContact N-O 3.22Å; D91-T115 PolarHBondContact O-N 2.97Å; T115-K117 HydrophobicContact CG2-CG 4.34Å; T115-K117 PolarHBondContact O-N 3.49Å; T115-Q158 HydrophobicContact CG2-CB 4.42Å |
| 116 | N | 96.7 | Very high | 95.4 | Very high | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 107.7 | 174.9 | -175.6 | -5.6 | 0 | 0 | 0 | 110 | F114 G118 D120 F122 V153 P154 A155 G156 R157 | F114-N116 HydrophobicContact CE1-CB 4.2Å; N116-G118 WeakPolarHBondContact OD1-CA 3.39Å; N116-G118 PolarHBondContact OD1-N 2.66Å; N116-D120 PolarHBondContact ND2-O 3.44Å; N116-F122 HydrophobicContact CB-CD2 4.14Å; N116-F122 VanDerWaalsContact CG-CD2 3.42Å; N116-F122 WeakPolarHBondContact ND2-CD2 3.26Å; N116-F122 WeakPolarHBondContact OD1-CD2 3.47Å; N116-F122 WeakPolarHBondContact OD1-CE2 3.35Å; N116-V153 HydrophobicContact CB-CG1 3.96Å; N116-V153 PolarHBondContact ND2-O 2.76Å; N116-P154 PolarHBondContact ND2-O 3.31Å; N116-A155 WeakPolarHBondContact ND2-CA 3.48Å; N116-A155 PolarHBondContact ND2-N 3.24Å; N116-G156 WeakPolarHBondContact O-CA 3.47Å; N116-G156 PolarHBondContact O-N 3.48Å; N116-R157 WeakPolarHBondContact CB-O 3.39Å; N116-R157 PolarHBondContact N-O 2.85Å |
| 117 | K | 95.8 | Very high | 95.5 | Very high | 129 Ų | 129 | 36 Ų | 36 | 56% | 0.561 | 20% | 0.198 | S | C | * | . | trans | -93.8 | -6.6 | 174.6 | -62.4 | 178.1 | -178.1 | 166.9 | 0 | 112.8 | N89 D91 T115 | N89-K117 WeakPolarHBondContact O-CA 3.37Å; N89-K117 WeakPolarHBondContact O-CB 3.4Å; N89-K117 PolarHBondContact O-N 2.75Å; D91-K117 HydrophobicContact CB-CD 4.2Å; D91-K117 VanDerWaalsContact CG-NZ 3.29Å; D91-K117 VanDerWaalsContact OD2-CE 3.32Å; D91-K117 WeakPolarHBondContact OD2-CE 3.38Å; D91-K117 IonicContact OD2-NZ 2.73Å; D91-K117 PolarHBondContact OD2-NZ 2.85Å; T115-K117 HydrophobicContact CG2-CG 4.34Å; T115-K117 PolarHBondContact O-N 3.49Å | ||
| 118 | G | 91.3 | Very high | 95.6 | Very high | 13 Ų | 13 | 34.5 Ų | 34.5 | 13% | 0.134 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -77.1 | 175.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | N89 N116 A155 | N89-G118 PolarHBondContact O-N 3.34Å; N116-G118 WeakPolarHBondContact OD1-CA 3.39Å; N116-G118 PolarHBondContact OD1-N 2.66Å; G118-A155 WeakPolarHBondContact O-CB 3.28Å |
| 119 | S | 93.4 | Very high | 95.6 | Very high | 95 Ų | 95 | 34.3 Ų | 34.3 | 66% | 0.664 | 19% | 0.189 | S | C | * | . | S | Bend | trans | -83.1 | -25.2 | 172.4 | 43.8 | 0 | 0 | 0 | 0 | 113.5 | A155 | S119-A155 VanDerWaalsContact O-CB 3.26Å; S119-A155 WeakPolarHBondContact O-CB 3.25Å |
| 120 | D | 94.1 | Very high | 95.6 | Very high | 79 Ų | 79 | 31 Ų | 31 | 42% | 0.422 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -102.6 | 162.5 | -173.7 | -58.8 | -64.3 | 0 | 0 | 0 | 111 | N116 D186 | N116-D120 PolarHBondContact ND2-O 3.44Å; D120-D186 WeakPolarHBondContact CB-OD1 3.48Å |
| 121 | N | 95.7 | Very high | 95.6 | Very high | 70 Ų | 70 | 31 Ų | 31 | 37% | 0.374 | 18% | 0.176 | S | C | . | . | P | Polyproline II helix | trans | -82.6 | 134.4 | 179.5 | -63 | -20.9 | 0 | 0 | 0 | 109.7 | V152 P154 A155 S187 | N121-V152 HydrophobicContact CB-CG1 4.02Å; N121-P154 VanDerWaalsContact OD1-CA 3.28Å; N121-P154 WeakPolarHBondContact OD1-CA 3.48Å; N121-A155 PolarHBondContact OD1-N 2.79Å; N121-S187 PolarHBondContact N-OG 2.99Å; N121-S187 PolarHBondContact O-N 2.83Å; N121-S187 PolarHBondContact O-OG 3.18Å |
| 122 | F | 96.7 | Very high | 95.6 | Very high | 4 Ų | 4 | 29.7 Ų | 29.7 | 2% | 0.018 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 148.7 | 167.8 | -72.6 | -66.8 | 0 | 0 | 0 | 110.4 | N89 A90 F114 N116 V152 V153 Y184 K185 D186 F192 | N89-F122 HydrophobicContact CB-CE2 4.25Å; N89-F122 HydrophobicContact CB-CZ 4.19Å; A90-F122 HydrophobicContact CB-CE2 4.39Å; F114-F122 HydrophobicContact CE1-CB 3.91Å; F114-F122 HydrophobicContact CE1-CD2 4.15Å; F114-F122 HydrophobicContact CE1-CG 4.34Å; F114-F122 HydrophobicContact CZ-CB 3.83Å; F114-F122 AromaticContact CZ-CD2 3.88Å; F114-F122 HydrophobicContact CZ-CD2 3.88Å; F114-F122 AromaticContact CZ-CG 3.95Å; F114-F122 HydrophobicContact CZ-CG 3.95Å; N116-F122 HydrophobicContact CB-CD2 4.14Å; N116-F122 VanDerWaalsContact CG-CD2 3.42Å; N116-F122 WeakPolarHBondContact ND2-CD2 3.26Å; N116-F122 WeakPolarHBondContact OD1-CD2 3.47Å; N116-F122 WeakPolarHBondContact OD1-CE2 3.35Å; F122-V152 CarbonylContact O-C 3.57Å; F122-V152 WeakPolarHBondContact O-CA 3.48Å; F122-V153 PolarHBondContact N-O 3.33Å; F122-V153 VanDerWaalsContact N-O 3.13Å; F122-V153 PolarHBondContact O-N 2.9Å; F122-Y184 HydrophobicContact CB-CD2 4.47Å; F122-Y184 AromaticContact CD1-CD2 3.75Å; F122-Y184 HydrophobicContact CD1-CD2 3.75Å; F122-Y184 HydrophobicContact CD1-CE2 4.06Å; F122-Y184 HydrophobicContact CE1-CD2 4.24Å; F122-Y184 HydrophobicContact CE1-CE2 4.1Å; F122-Y184 HydrophobicContact CG-CD2 4.17Å; F122-K185 CarbonylContact C-O 3.55Å; F122-K185 WeakPolarHBondContact CA-O 3.39Å; F122-D186 HydrophobicContact CD1-CB 4.05Å; F122-D186 HydrophobicContact CE1-CB 3.79Å; F122-F192 HydrophobicContact CE1-CD2 4.29Å; F122-F192 HydrophobicContact CE1-CE2 4.31Å |
| 123 | V | 96.7 | Very high | 95.5 | Very high | 32 Ų | 32 | 35.6 Ų | 35.6 | 19% | 0.194 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 112.9 | 169.9 | -173 | 0 | 0 | 0 | 0 | 107.4 | E125 I151 V152 Y184 K185 | V123-E125 PolarHBondContact O-N 2.81Å; V123-I151 WeakPolarHBondContact CA-O 3.48Å; V123-V152 HydrophobicContact CG2-CG2 4.13Å; V123-Y184 CarbonylContact O-C 3.53Å; V123-Y184 WeakPolarHBondContact O-CA 3.33Å; V123-Y184 WeakPolarHBondContact O-CB 3.36Å; V123-K185 HydrophobicContact CB-CG 3.92Å; V123-K185 HydrophobicContact CG2-CG 4.48Å; V123-K185 PolarHBondContact N-O 2.69Å; V123-K185 PolarHBondContact O-N 2.95Å |
| 124 | V | 96.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 115.4 | 174.6 | -176.9 | 0 | 0 | 0 | 0 | 107.7 | F114 L149 G150 I151 V153 F161 L182 | F114-V124 HydrophobicContact CD1-CG2 4.05Å; F114-V124 HydrophobicContact CD2-CG2 4.35Å; F114-V124 HydrophobicContact CE1-CG2 4.26Å; F114-V124 HydrophobicContact CG-CG2 4.09Å; F114-V124 HydrophobicContact CZ-CG2 4.49Å; V124-L149 HydrophobicContact CG1-CB 4.4Å; V124-L149 HydrophobicContact CG1-CD1 3.62Å; V124-G150 CarbonylContact O-C 3.56Å; V124-G150 VanDerWaalsContact O-CA 3.27Å; V124-G150 WeakPolarHBondContact O-CA 3.27Å; V124-G150 PolarHBondContact O-N 2.86Å; V124-I151 PolarHBondContact N-O 3.28Å; V124-I151 PolarHBondContact O-N 2.79Å; V124-V153 HydrophobicContact CG2-CG2 3.91Å; V124-F161 HydrophobicContact CB-CE2 4.4Å; V124-F161 HydrophobicContact CB-CZ 4.02Å; V124-F161 HydrophobicContact CG1-CE2 4.07Å; V124-F161 HydrophobicContact CG1-CZ 4.07Å; V124-F161 HydrophobicContact CG2-CE2 4.14Å; V124-F161 HydrophobicContact CG2-CZ 3.95Å; V124-L182 HydrophobicContact CG1-CD1 3.5Å; V124-L182 HydrophobicContact CG1-CG 4.27Å |
| 125 | E | 95.3 | Very high | 95.2 | Very high | 44 Ų | 44 | 46.5 Ų | 46.5 | 21% | 0.206 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | -64.7 | -171.6 | -67.8 | -162.5 | 138.5 | 0 | 0 | 111.6 | V123 Q148 L149 G150 N183 K185 L191 | V123-E125 PolarHBondContact O-N 2.81Å; E125-Q148 PolarHBondContact O-NE2 3.06Å; E125-L149 PolarHBondContact O-N 2.84Å; E125-G150 PolarHBondContact O-N 2.97Å; E125-N183 PolarHBondContact N-O 2.87Å; E125-K185 HydrophobicContact CG-CD 4.42Å; E125-K185 HydrophobicContact CG-CG 4.28Å; E125-K185 WeakPolarHBondContact OE1-CD 3.39Å; E125-K185 WeakPolarHBondContact OE1-CE 3.48Å; E125-K185 IonicContact OE1-NZ 2.64Å; E125-K185 PolarHBondContact OE1-NZ 2.82Å; E125-L191 VanDerWaalsContact OE2-CD2 3.31Å; E125-L191 WeakPolarHBondContact OE2-CD2 3.45Å |
| 126 | S | 95.7 | Very high | 94.9 | Very high | 11 Ų | 11 | 47.1 Ų | 47.1 | 8% | 0.077 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 154.6 | -178.6 | 76 | 0 | 0 | 0 | 0 | 112.2 | D128 L147 N183 | S126-D128 PolarHBondContact OG-OD1 2.56Å; S126-D128 VanDerWaalsContact OG-OD1 3.14Å; S126-L147 CarbonylContact C-O 3.46Å; S126-L147 VanDerWaalsContact CA-O 3.26Å; S126-L147 WeakPolarHBondContact CA-O 3.32Å; S126-N183 PolarHBondContact N-O 2.76Å; S126-N183 PolarHBondContact O-N 3.49Å; S126-N183 PolarHBondContact OG-ND2 3Å |
| 127 | L | 95.9 | Very high | 94.6 | Very high | 2 Ų | 2 | 49.2 Ų | 49.2 | 1% | 0.01 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 128.9 | 162.6 | 176 | 143 | 0 | 0 | 0 | 108.9 | F110 M112 A146 L147 Y163 I180 N181 L182 | F110-L127 HydrophobicContact CE2-CD1 3.78Å; F110-L127 HydrophobicContact CE2-CD2 4.43Å; F110-L127 HydrophobicContact CZ-CD1 4.02Å; F110-L127 HydrophobicContact CZ-CD2 3.89Å; M112-L127 HydrophobicContact CB-CD1 4.2Å; M112-L127 HydrophobicContact CE-CB 4.27Å; M112-L127 HydrophobicContact CE-CD1 3.41Å; M112-L127 VanDerWaalsContact CE-CD1 3.41Å; M112-L127 HydrophobicContact CE-CG 4.45Å; M112-L127 HydrophobicContact CG-CD1 4.12Å; L127-A146 CarbonylContact O-C 3.56Å; L127-A146 WeakPolarHBondContact O-CA 3.45Å; L127-L147 PolarHBondContact N-O 3.02Å; L127-L147 PolarHBondContact O-N 3.32Å; L127-Y163 HydrophobicContact CD2-CD1 3.77Å; L127-Y163 HydrophobicContact CD2-CD2 3.47Å; L127-Y163 VanDerWaalsContact CD2-CD2 3.47Å; L127-Y163 HydrophobicContact CD2-CE1 4.05Å; L127-Y163 HydrophobicContact CD2-CE2 3.79Å; L127-Y163 HydrophobicContact CD2-CG 3.44Å; L127-Y163 VanDerWaalsContact CD2-CG 3.44Å; L127-I180 HydrophobicContact CD1-CG2 3.86Å; L127-I180 HydrophobicContact CD2-CG2 4.32Å; L127-I180 HydrophobicContact CG-CG2 4.14Å; L127-N181 WeakPolarHBondContact CA-O 3.32Å; L127-L182 HydrophobicContact CB-CD1 4.32Å |
| 128 | D | 94.9 | Very high | 94.4 | Very high | 46 Ų | 46 | 50.5 Ų | 50.5 | 25% | 0.246 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 138.2 | -179.9 | -49.2 | -27.4 | 0 | 0 | 0 | 108.9 | S126 A146 I180 N181 N183 | S126-D128 PolarHBondContact OG-OD1 2.56Å; S126-D128 VanDerWaalsContact OG-OD1 3.14Å; D128-A146 VanDerWaalsContact OD1-CB 3.27Å; D128-A146 WeakPolarHBondContact OD1-CB 3.15Å; D128-I180 CarbonylContact O-C 3.6Å; D128-I180 WeakPolarHBondContact O-CA 3.4Å; D128-N181 PolarHBondContact N-O 2.82Å; D128-N181 PolarHBondContact O-N 2.9Å; D128-N183 PolarHBondContact OD2-ND2 3.18Å |
| 129 | A | 95.9 | Very high | 94.4 | Very high | 3 Ų | 3 | 55.8 Ų | 55.8 | 3% | 0.025 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 141.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | F144 Y163 V179 I180 | A129-F144 HydrophobicContact CB-CB 4.22Å; A129-F144 HydrophobicContact CB-CD2 3.9Å; A129-F144 WeakPolarHBondContact O-CB 3.34Å; A129-F144 WeakPolarHBondContact O-CD2 3.32Å; A129-F144 PolarHBondContact O-N 3.1Å; A129-Y163 HydrophobicContact CB-CE1 3.78Å; A129-V179 CarbonylContact C-O 3.53Å; A129-V179 WeakPolarHBondContact CA-O 3.23Å; A129-I180 HydrophobicContact CB-CG1 4.18Å |
| 130 | S | 95.6 | Very high | 94.4 | Very high | 5 Ų | 5 | 57.3 Ų | 57.3 | 4% | 0.035 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 150 | 178.5 | 61 | 0 | 0 | 0 | 0 | 112.1 | R132 Q142 N143 V179 | S130-R132 PolarHBondContact OG-NE 2.99Å; S130-Q142 CarbonylContact C-O 3.59Å; S130-Q142 VanDerWaalsContact CA-O 3.28Å; S130-Q142 WeakPolarHBondContact CA-O 3.38Å; S130-N143 VanDerWaalsContact CB-OD1 3.25Å; S130-N143 WeakPolarHBondContact CB-OD1 3.35Å; S130-V179 PolarHBondContact N-O 3.25Å; S130-V179 PolarHBondContact O-N 2.93Å |
| 131 | F | 95.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 137 | 161.9 | -72.6 | -31.8 | 0 | 0 | 0 | 110.9 | I141 Q142 F144 F165 P167 F176 G177 L178 V201 I203 | F131-I141 PolarHBondContact O-N 2.86Å; F131-Q142 HydrophobicContact CB-CB 4.38Å; F131-Q142 PolarHBondContact N-O 3.22Å; F131-Q142 PolarHBondContact O-N 2.96Å; F131-F144 HydrophobicContact CD1-CE2 4.19Å; F131-F144 AromaticContact CD2-CE2 3.94Å; F131-F144 HydrophobicContact CD2-CE2 3.94Å; F131-F144 AromaticContact CD2-CZ 3.62Å; F131-F144 HydrophobicContact CD2-CZ 3.62Å; F131-F144 HydrophobicContact CE1-CE2 4.25Å; F131-F144 HydrophobicContact CE1-CZ 4.5Å; F131-F144 HydrophobicContact CE2-CE2 4.03Å; F131-F144 AromaticContact CE2-CZ 3.51Å; F131-F144 HydrophobicContact CE2-CZ 3.51Å; F131-F144 HydrophobicContact CG-CE2 4.02Å; F131-F144 HydrophobicContact CG-CZ 4.18Å; F131-F144 HydrophobicContact CZ-CE2 4.16Å; F131-F144 AromaticContact CZ-CZ 3.96Å; F131-F144 HydrophobicContact CZ-CZ 3.96Å; F131-F165 HydrophobicContact CE1-CE2 4.28Å; F131-F165 AromaticContact CZ-CE2 3.84Å; F131-F165 HydrophobicContact CZ-CE2 3.84Å; F131-P167 HydrophobicContact CE2-CB 3.94Å; F131-P167 HydrophobicContact CE2-CG 4.38Å; F131-P167 HydrophobicContact CZ-CB 4.23Å; F131-P167 HydrophobicContact CZ-CG 4.22Å; F131-F176 HydrophobicContact CB-CB 4.43Å; F131-F176 HydrophobicContact CD1-CB 4.16Å; F131-F176 HydrophobicContact CG-CB 4.27Å; F131-G177 CarbonylContact C-O 3.58Å; F131-G177 WeakPolarHBondContact CA-O 3.16Å; F131-L178 HydrophobicContact CD1-CB 4.19Å; F131-L178 HydrophobicContact CD1-CD1 3.95Å; F131-L178 HydrophobicContact CE1-CB 4.06Å; F131-L178 HydrophobicContact CE1-CD1 3.74Å; F131-L178 HydrophobicContact CE1-CG 4.34Å; F131-V201 HydrophobicContact CE1-CG2 4.26Å; F131-I203 HydrophobicContact CE1-CD1 4.22Å; F131-I203 HydrophobicContact CE2-CD1 4.08Å; F131-I203 HydrophobicContact CZ-CD1 3.52Å; F131-I203 HydrophobicContact CZ-CG1 4.42Å |
| 132 | R | 95.2 | Very high | 94.2 | Very high | 32 Ų | 32 | 55.6 Ų | 55.6 | 12% | 0.121 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 163.9 | -175.8 | -63.8 | 171.9 | 174.1 | -160.9 | 9 | 110.4 | S130 F137 F139 Y140 G177 | S130-R132 PolarHBondContact OG-NE 2.99Å; R132-F137 WeakPolarHBondContact CD-O 3.11Å; R132-F137 PolarHBondContact NH1-O 2.88Å; R132-F139 VanDerWaalsContact CA-O 3.26Å; R132-F139 WeakPolarHBondContact CA-O 3.43Å; R132-F139 WeakPolarHBondContact CB-O 3.31Å; R132-Y140 HydrophobicContact CG-CD1 4.11Å; R132-Y140 PolarHBondContact NH2-OH 3.28Å; R132-G177 PolarHBondContact N-O 3.37Å; R132-G177 PolarHBondContact O-N 3.02Å |
| 133 | Y | 95 | Very high | 94 | Very high | 125 Ų | 125 | 60.4 Ų | 60.4 | 49% | 0.49 | 29% | 0.286 | S | S | . | . | trans | -65.1 | 131.8 | 175.8 | -75.7 | -88.2 | 0 | 0 | 0 | 110.3 | Q135 D136 F137 F139 I141 | Y133-Q135 PolarHBondContact O-N 2.94Å; Y133-D136 WeakPolarHBondContact CB-O 3.41Å; Y133-D136 CarbonylContact O-C 3.56Å; Y133-D136 PolarHBondContact O-N 3.18Å; Y133-F137 WeakPolarHBondContact O-CD2 3.37Å; Y133-F139 HydrophobicContact CD2-CB 3.51Å; Y133-F139 HydrophobicContact CE2-CB 4.11Å; Y133-F139 HydrophobicContact CG-CB 4.45Å; Y133-F139 PolarHBondContact N-O 2.65Å; Y133-F139 VanDerWaalsContact N-O 3.15Å; Y133-I141 HydrophobicContact CD1-CD1 3.97Å; Y133-I141 HydrophobicContact CD2-CD1 3.82Å; Y133-I141 HydrophobicContact CD2-CG1 3.58Å; Y133-I141 HydrophobicContact CE1-CD1 4.1Å; Y133-I141 HydrophobicContact CE1-CG1 4.38Å; Y133-I141 HydrophobicContact CE2-CD1 3.98Å; Y133-I141 HydrophobicContact CE2-CG1 3.45Å; Y133-I141 VanDerWaalsContact CE2-CG1 3.45Å; Y133-I141 HydrophobicContact CG-CD1 3.84Å; Y133-I141 HydrophobicContact CG-CG1 4.15Å | ||
| 134 | P | 92.7 | Very high | 93.9 | Very high | 46 Ų | 46 | 60 Ų | 60 | 30% | 0.299 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -70 | -20.4 | -177.1 | 28.4 | -36.3 | 0 | 0 | 0 | 113.2 | T200 | P134-T200 HydrophobicContact CB-CG2 3.8Š|
| 135 | Q | 92.8 | Very high | 93.8 | Very high | 196 Ų | 196 | 66 Ų | 66 | 92% | 0.916 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -81 | -28.6 | 174.8 | -67.6 | -177.4 | -26.9 | 0 | 0 | 112.2 | Y133 | Y133-Q135 PolarHBondContact O-N 2.94Š|
| 136 | D | 92.4 | Very high | 93.7 | Very high | 56 Ų | 56 | 66.2 Ų | 66.2 | 30% | 0.299 | 33% | 0.328 | S | S | . | . | trans | -152.2 | 108.8 | -177.4 | -171.5 | -14.4 | 0 | 0 | 0 | 110.6 | Y133 Q138 F139 | Y133-D136 WeakPolarHBondContact CB-O 3.41Å; Y133-D136 CarbonylContact O-C 3.56Å; Y133-D136 PolarHBondContact O-N 3.18Å; D136-Q138 PolarHBondContact O-N 3.48Å; D136-Q138 VanDerWaalsContact OD1-CB 3.32Å; D136-Q138 WeakPolarHBondContact OD1-CB 3.43Å; D136-Q138 WeakPolarHBondContact OD1-CG 3.29Å; D136-Q138 PolarHBondContact OD1-N 2.95Å; D136-F139 HydrophobicContact CB-CD2 4.05Å; D136-F139 HydrophobicContact CB-CE2 4.48Å; D136-F139 PolarHBondContact O-N 2.73Å; D136-F139 VanDerWaalsContact OD2-CE2 3.31Å; D136-F139 WeakPolarHBondContact OD2-CE2 3.14Å | ||
| 137 | F | 89.7 | Confident | 93.7 | Very high | 46 Ų | 46 | 68.5 Ų | 68.5 | 20% | 0.202 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | 7.4 | -177.4 | -79.6 | -122.8 | 0 | 0 | 0 | 112.7 | R132 Y133 V179 N198 | R132-F137 WeakPolarHBondContact CD-O 3.11Å; R132-F137 PolarHBondContact NH1-O 2.88Å; Y133-F137 WeakPolarHBondContact O-CD2 3.37Å; F137-V179 HydrophobicContact CD1-CG2 3.43Å; F137-V179 VanDerWaalsContact CD1-CG2 3.43Å; F137-V179 HydrophobicContact CE1-CG2 3.75Å; F137-N198 WeakPolarHBondContact CD1-OD1 3.44Å; F137-N198 WeakPolarHBondContact CE1-OD1 3.25Å |
| 138 | Q | 91.3 | Very high | 93.6 | Very high | 156 Ų | 156 | 74.7 Ų | 74.7 | 73% | 0.729 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -25.5 | 171.2 | -62.6 | -175.3 | -105 | 0 | 0 | 112.1 | D136 | D136-Q138 PolarHBondContact O-N 3.48Å; D136-Q138 VanDerWaalsContact OD1-CB 3.32Å; D136-Q138 WeakPolarHBondContact OD1-CB 3.43Å; D136-Q138 WeakPolarHBondContact OD1-CG 3.29Å; D136-Q138 PolarHBondContact OD1-N 2.95Å |
| 139 | F | 92 | Very high | 93.6 | Very high | 123 Ų | 123 | 74.3 Ų | 74.3 | 54% | 0.539 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -95.1 | 118.7 | -176.3 | -65.4 | -77.9 | 0 | 0 | 0 | 111.8 | R132 Y133 D136 | R132-F139 VanDerWaalsContact CA-O 3.26Å; R132-F139 WeakPolarHBondContact CA-O 3.43Å; R132-F139 WeakPolarHBondContact CB-O 3.31Å; Y133-F139 HydrophobicContact CD2-CB 3.51Å; Y133-F139 HydrophobicContact CE2-CB 4.11Å; Y133-F139 HydrophobicContact CG-CB 4.45Å; Y133-F139 PolarHBondContact N-O 2.65Å; Y133-F139 VanDerWaalsContact N-O 3.15Å; D136-F139 HydrophobicContact CB-CD2 4.05Å; D136-F139 HydrophobicContact CB-CE2 4.48Å; D136-F139 PolarHBondContact O-N 2.73Å; D136-F139 VanDerWaalsContact OD2-CE2 3.31Å; D136-F139 WeakPolarHBondContact OD2-CE2 3.14Å |
| 140 | Y | 92.6 | Very high | 93.4 | Very high | 127 Ų | 127 | 76.6 Ų | 76.6 | 50% | 0.498 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 137.4 | 176.2 | -64 | -89 | 0 | 0 | 0 | 111.3 | R132 N143 | R132-Y140 HydrophobicContact CG-CD1 4.11Å; R132-Y140 PolarHBondContact NH2-OH 3.28Å; Y140-N143 WeakPolarHBondContact CD1-OD1 3.36Å; Y140-N143 WeakPolarHBondContact CE1-OD1 3.36Å |
| 141 | I | 92.6 | Very high | 93.4 | Very high | 56 Ų | 56 | 79.9 Ų | 79.9 | 29% | 0.287 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | -48.4 | 172.3 | -64.7 | 168.8 | 0 | 0 | 0 | 109 | F131 Y133 M171 F176 | F131-I141 PolarHBondContact O-N 2.86Å; Y133-I141 HydrophobicContact CD1-CD1 3.97Å; Y133-I141 HydrophobicContact CD2-CD1 3.82Å; Y133-I141 HydrophobicContact CD2-CG1 3.58Å; Y133-I141 HydrophobicContact CE1-CD1 4.1Å; Y133-I141 HydrophobicContact CE1-CG1 4.38Å; Y133-I141 HydrophobicContact CE2-CD1 3.98Å; Y133-I141 HydrophobicContact CE2-CG1 3.45Å; Y133-I141 VanDerWaalsContact CE2-CG1 3.45Å; Y133-I141 HydrophobicContact CG-CD1 3.84Å; Y133-I141 HydrophobicContact CG-CG1 4.15Å; I141-M171 HydrophobicContact CG2-SD 4.15Å; I141-F176 HydrophobicContact CD1-CD1 3.56Å; I141-F176 HydrophobicContact CD1-CE1 3.83Å; I141-F176 HydrophobicContact CG2-CE1 4.48Å |
| 142 | Q | 92.5 | Very high | 93.4 | Very high | 57 Ų | 57 | 83.8 Ų | 83.8 | 27% | 0.266 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 123.4 | -179.9 | -175.4 | 176.9 | 4.5 | 0 | 0 | 109.8 | S130 F131 F144 | S130-Q142 CarbonylContact C-O 3.59Å; S130-Q142 VanDerWaalsContact CA-O 3.28Å; S130-Q142 WeakPolarHBondContact CA-O 3.38Å; F131-Q142 HydrophobicContact CB-CB 4.38Å; F131-Q142 PolarHBondContact N-O 3.22Å; F131-Q142 PolarHBondContact O-N 2.96Å; Q142-F144 HydrophobicContact CG-CE1 4.26Å |
| 143 | N | 93.4 | Very high | 93.5 | Very high | 105 Ų | 105 | 82.4 Ų | 82.4 | 56% | 0.561 | 42% | 0.424 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 126.9 | 168 | -70.3 | -41.6 | 0 | 0 | 0 | 108.8 | S130 Y140 | S130-N143 VanDerWaalsContact CB-OD1 3.25Å; S130-N143 WeakPolarHBondContact CB-OD1 3.35Å; Y140-N143 WeakPolarHBondContact CD1-OD1 3.36Å; Y140-N143 WeakPolarHBondContact CE1-OD1 3.36Å |
| 144 | F | 94.8 | Very high | 93.5 | Very high | 25 Ų | 25 | 78.4 Ų | 78.4 | 11% | 0.11 | 41% | 0.413 | C | S | . | . | P | Polyproline II helix | trans | -83.1 | 159.2 | 171.7 | -61.4 | -68.5 | 0 | 0 | 0 | 110.1 | A129 F131 Q142 A146 Y163 F165 I166 | A129-F144 HydrophobicContact CB-CB 4.22Å; A129-F144 HydrophobicContact CB-CD2 3.9Å; A129-F144 WeakPolarHBondContact O-CB 3.34Å; A129-F144 WeakPolarHBondContact O-CD2 3.32Å; A129-F144 PolarHBondContact O-N 3.1Å; F131-F144 HydrophobicContact CD1-CE2 4.19Å; F131-F144 AromaticContact CD2-CE2 3.94Å; F131-F144 HydrophobicContact CD2-CE2 3.94Å; F131-F144 AromaticContact CD2-CZ 3.62Å; F131-F144 HydrophobicContact CD2-CZ 3.62Å; F131-F144 HydrophobicContact CE1-CE2 4.25Å; F131-F144 HydrophobicContact CE1-CZ 4.5Å; F131-F144 HydrophobicContact CE2-CE2 4.03Å; F131-F144 AromaticContact CE2-CZ 3.51Å; F131-F144 HydrophobicContact CE2-CZ 3.51Å; F131-F144 HydrophobicContact CG-CE2 4.02Å; F131-F144 HydrophobicContact CG-CZ 4.18Å; F131-F144 HydrophobicContact CZ-CE2 4.16Å; F131-F144 AromaticContact CZ-CZ 3.96Å; F131-F144 HydrophobicContact CZ-CZ 3.96Å; Q142-F144 HydrophobicContact CG-CE1 4.26Å; F144-A146 PolarHBondContact O-N 3.15Å; F144-Y163 VanDerWaalsContact CB-OH 3.29Å; F144-Y163 WeakPolarHBondContact CB-OH 3.35Å; F144-F165 HydrophobicContact CB-CB 4.35Å; F144-F165 HydrophobicContact CD1-CB 3.76Å; F144-F165 HydrophobicContact CD1-CD2 4.29Å; F144-F165 HydrophobicContact CD1-CG 4.38Å; F144-F165 HydrophobicContact CD2-CB 4.22Å; F144-F165 HydrophobicContact CD2-CD2 4.11Å; F144-F165 HydrophobicContact CD2-CG 4.18Å; F144-F165 HydrophobicContact CE1-CB 4.05Å; F144-F165 AromaticContact CE1-CD2 3.8Å; F144-F165 HydrophobicContact CE1-CD2 3.8Å; F144-F165 HydrophobicContact CE1-CG 4.33Å; F144-F165 HydrophobicContact CE2-CB 4.49Å; F144-F165 AromaticContact CE2-CD2 3.6Å; F144-F165 HydrophobicContact CE2-CD2 3.6Å; F144-F165 AromaticContact CE2-CE2 3.99Å; F144-F165 HydrophobicContact CE2-CE2 3.99Å; F144-F165 HydrophobicContact CE2-CG 4.13Å; F144-F165 HydrophobicContact CG-CB 3.84Å; F144-F165 HydrophobicContact CG-CD2 4.44Å; F144-F165 HydrophobicContact CG-CG 4.31Å; F144-F165 HydrophobicContact CZ-CB 4.41Å; F144-F165 AromaticContact CZ-CD2 3.41Å; F144-F165 HydrophobicContact CZ-CD2 3.41Å; F144-F165 VanDerWaalsContact CZ-CD2 3.41Å; F144-F165 AromaticContact CZ-CE2 3.99Å; F144-F165 HydrophobicContact CZ-CE2 3.99Å; F144-F165 HydrophobicContact CZ-CG 4.2Å; F144-I166 WeakPolarHBondContact CE1-O 3.49Å |
| 145 | T | 94 | Very high | 93.7 | Very high | 125 Ų | 125 | 78.1 Ų | 78.1 | 77% | 0.767 | 42% | 0.415 | S | S | * | . | P | Polyproline II helix | trans | -60.4 | 123.1 | 179.1 | -52.1 | 0 | 0 | 0 | 0 | 110.4 | Y163 | T145-Y163 WeakPolarHBondContact O-CE2 3.48Å; T145-Y163 PolarHBondContact O-OH 2.9Å |
| 146 | A | 93.7 | Very high | 93.8 | Very high | 49 Ų | 49 | 71.9 Ų | 71.9 | 41% | 0.405 | 40% | 0.403 | S | S | . | . | P | Polyproline II helix | trans | -63.5 | 134.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | L127 D128 F144 | L127-A146 CarbonylContact O-C 3.56Å; L127-A146 WeakPolarHBondContact O-CA 3.45Å; D128-A146 VanDerWaalsContact OD1-CB 3.27Å; D128-A146 WeakPolarHBondContact OD1-CB 3.15Å; F144-A146 PolarHBondContact O-N 3.15Å |
| 147 | L | 94.4 | Very high | 93.9 | Very high | 58 Ų | 58 | 77 Ų | 77 | 30% | 0.304 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 106.6 | 174.3 | 177.3 | 64.2 | 0 | 0 | 0 | 109.4 | S126 L127 L149 Y163 | S126-L147 CarbonylContact C-O 3.46Å; S126-L147 VanDerWaalsContact CA-O 3.26Å; S126-L147 WeakPolarHBondContact CA-O 3.32Å; L127-L147 PolarHBondContact N-O 3.02Å; L127-L147 PolarHBondContact O-N 3.32Å; L147-L149 HydrophobicContact CD2-CD2 3.76Å; L147-L149 HydrophobicContact CD2-CG 4.37Å; L147-L149 HydrophobicContact CG-CD2 3.9Å; L147-L149 HydrophobicContact CG-CG 4.21Å; L147-L149 PolarHBondContact O-N 2.85Å; L147-Y163 HydrophobicContact CB-CD2 3.59Å; L147-Y163 HydrophobicContact CB-CE2 3.74Å; L147-Y163 HydrophobicContact CD2-CD2 3.9Å; L147-Y163 HydrophobicContact CG-CD2 4.35Å |
| 148 | Q | 95.4 | Very high | 94.2 | Very high | 133 Ų | 133 | 81.6 Ų | 81.6 | 62% | 0.621 | 44% | 0.441 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 118.7 | 173 | -152 | 68.4 | 31.6 | 0 | 0 | 110.1 | E125 | E125-Q148 PolarHBondContact O-NE2 3.06Å |
| 149 | L | 93.1 | Very high | 94.4 | Very high | 37 Ų | 37 | 75.1 Ų | 75.1 | 19% | 0.194 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | -54 | -177.3 | -67.6 | 170 | 0 | 0 | 0 | 111.1 | M112 V124 E125 L147 I151 F161 | M112-L149 HydrophobicContact CE-CD1 4.19Å; V124-L149 HydrophobicContact CG1-CB 4.4Å; V124-L149 HydrophobicContact CG1-CD1 3.62Å; E125-L149 PolarHBondContact O-N 2.84Å; L147-L149 HydrophobicContact CD2-CD2 3.76Å; L147-L149 HydrophobicContact CD2-CG 4.37Å; L147-L149 HydrophobicContact CG-CD2 3.9Å; L147-L149 HydrophobicContact CG-CG 4.21Å; L147-L149 PolarHBondContact O-N 2.85Å; L149-I151 HydrophobicContact CB-CD1 4.38Å; L149-I151 HydrophobicContact CD2-CD1 4.37Å; L149-I151 WeakPolarHBondContact O-CG1 3.49Å; L149-I151 PolarHBondContact O-N 2.87Å; L149-F161 HydrophobicContact CD1-CB 4.13Å; L149-F161 HydrophobicContact CD1-CD1 3.59Å; L149-F161 HydrophobicContact CD1-CD2 4.02Å; L149-F161 HydrophobicContact CD1-CE1 3.89Å; L149-F161 HydrophobicContact CD1-CE2 4.27Å; L149-F161 HydrophobicContact CD1-CG 3.63Å; L149-F161 HydrophobicContact CD1-CZ 4.2Å; L149-F161 HydrophobicContact CD2-CB 4.34Å; L149-F161 HydrophobicContact CD2-CD1 3.61Å; L149-F161 HydrophobicContact CD2-CE1 4.23Å; L149-F161 HydrophobicContact CD2-CG 4.19Å; L149-F161 HydrophobicContact CG-CD1 4.15Å; L149-F161 HydrophobicContact CG-CE1 4.46Å |
| 150 | G | 93.4 | Very high | 94.6 | Very high | 51 Ų | 51 | 73.3 Ų | 73.3 | 53% | 0.526 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 59.1 | 28.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114 | V124 E125 | V124-G150 CarbonylContact O-C 3.56Å; V124-G150 VanDerWaalsContact O-CA 3.27Å; V124-G150 WeakPolarHBondContact O-CA 3.27Å; V124-G150 PolarHBondContact O-N 2.86Å; E125-G150 PolarHBondContact O-N 2.97Å |
| 151 | I | 94.5 | Very high | 94.8 | Very high | 75 Ų | 75 | 67.9 Ų | 67.9 | 39% | 0.385 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 129.8 | -172 | -71.5 | 164.7 | 0 | 0 | 0 | 110.5 | V123 V124 L149 F161 | V123-I151 WeakPolarHBondContact CA-O 3.48Å; V124-I151 PolarHBondContact N-O 3.28Å; V124-I151 PolarHBondContact O-N 2.79Å; L149-I151 HydrophobicContact CB-CD1 4.38Å; L149-I151 HydrophobicContact CD2-CD1 4.37Å; L149-I151 WeakPolarHBondContact O-CG1 3.49Å; L149-I151 PolarHBondContact O-N 2.87Å; I151-F161 HydrophobicContact CB-CE1 4.08Å; I151-F161 HydrophobicContact CB-CZ 4.5Å; I151-F161 HydrophobicContact CD1-CD1 4.12Å; I151-F161 HydrophobicContact CD1-CE1 3.61Å; I151-F161 HydrophobicContact CG1-CE1 4.42Å; I151-F161 HydrophobicContact CG2-CE1 4.18Å; I151-F161 HydrophobicContact CG2-CZ 4.46Å |
| 152 | V | 96.3 | Very high | 94.9 | Very high | 81 Ų | 81 | 70.1 Ų | 70.1 | 49% | 0.491 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 122.2 | 175 | -173.1 | 0 | 0 | 0 | 0 | 109.9 | N121 F122 V123 P154 | N121-V152 HydrophobicContact CB-CG1 4.02Å; F122-V152 CarbonylContact O-C 3.57Å; F122-V152 WeakPolarHBondContact O-CA 3.48Å; V123-V152 HydrophobicContact CG2-CG2 4.13Å; V152-P154 WeakPolarHBondContact O-CD 3.29Å |
| 153 | V | 96.6 | Very high | 95.1 | Very high | 3 Ų | 3 | 68.2 Ų | 68.2 | 2% | 0.018 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 107.1 | 174.1 | -173.2 | 0 | 0 | 0 | 0 | 109.3 | F114 N116 F122 V124 R157 A159 | F114-V153 HydrophobicContact CD1-CB 4.02Å; F114-V153 HydrophobicContact CD1-CG1 3.97Å; F114-V153 HydrophobicContact CD1-CG2 3.87Å; F114-V153 HydrophobicContact CE1-CB 4.02Å; F114-V153 HydrophobicContact CE1-CG1 4.19Å; F114-V153 HydrophobicContact CE1-CG2 4.24Å; N116-V153 HydrophobicContact CB-CG1 3.96Å; N116-V153 PolarHBondContact ND2-O 2.76Å; F122-V153 PolarHBondContact N-O 3.33Å; F122-V153 VanDerWaalsContact N-O 3.13Å; F122-V153 PolarHBondContact O-N 2.9Å; V124-V153 HydrophobicContact CG2-CG2 3.91Å; V153-R157 HydrophobicContact CG1-CB 4.45Å; V153-A159 HydrophobicContact CG1-CB 4.44Å; V153-A159 HydrophobicContact CG2-CB 3.64Å |
| 154 | P | 96.3 | Very high | 95.2 | Very high | 41 Ų | 41 | 66 Ų | 66 | 27% | 0.266 | 39% | 0.385 | S | S | . | . | trans | -64.2 | 159.4 | -179.2 | -22.5 | 34.4 | 0 | 0 | 0 | 113.2 | N116 N121 V152 G156 R157 | N116-P154 PolarHBondContact ND2-O 3.31Å; N121-P154 VanDerWaalsContact OD1-CA 3.28Å; N121-P154 WeakPolarHBondContact OD1-CA 3.48Å; V152-P154 WeakPolarHBondContact O-CD 3.29Å; P154-G156 PolarHBondContact O-N 3.48Å; P154-R157 HydrophobicContact CB-CG 4.43Å; P154-R157 WeakPolarHBondContact O-CB 3.02Å; P154-R157 PolarHBondContact O-N 3.19Å; P154-R157 VanDerWaalsContact O-N 3.13Å | ||
| 155 | A | 95.8 | Very high | 95.2 | Very high | 40 Ų | 40 | 65.2 Ų | 65.2 | 33% | 0.331 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.4 | 133.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | N116 G118 S119 N121 R157 | N116-A155 WeakPolarHBondContact ND2-CA 3.48Å; N116-A155 PolarHBondContact ND2-N 3.24Å; G118-A155 WeakPolarHBondContact O-CB 3.28Å; S119-A155 VanDerWaalsContact O-CB 3.26Å; S119-A155 WeakPolarHBondContact O-CB 3.25Å; N121-A155 PolarHBondContact OD1-N 2.79Å; A155-R157 PolarHBondContact O-N 2.9Å |
| 156 | G | 94.4 | Very high | 95.2 | Very high | 65 Ų | 65 | 63.3 Ų | 63.3 | 67% | 0.67 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.6 | 9.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | N116 P154 | N116-G156 WeakPolarHBondContact O-CA 3.47Å; N116-G156 PolarHBondContact O-N 3.48Å; P154-G156 PolarHBondContact O-N 3.48Å |
| 157 | R | 96.1 | Very high | 95.2 | Very high | 163 Ų | 163 | 61 Ų | 61 | 62% | 0.615 | 35% | 0.346 | S | S | * | . | trans | -108.3 | 161.4 | 175.6 | -69 | -167.7 | 178.5 | 159.8 | 1.4 | 111.8 | N116 V153 P154 A155 | N116-R157 WeakPolarHBondContact CB-O 3.39Å; N116-R157 PolarHBondContact N-O 2.85Å; V153-R157 HydrophobicContact CG1-CB 4.45Å; P154-R157 HydrophobicContact CB-CG 4.43Å; P154-R157 WeakPolarHBondContact O-CB 3.02Å; P154-R157 PolarHBondContact O-N 3.19Å; P154-R157 VanDerWaalsContact O-N 3.13Å; A155-R157 PolarHBondContact O-N 2.9Å | ||
| 158 | Q | 95.9 | Very high | 95 | Very high | 143 Ų | 143 | 59.9 Ų | 59.9 | 67% | 0.668 | 35% | 0.345 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 150.7 | 171.3 | 68 | -175.1 | 47.8 | 0 | 0 | 110.6 | F114 T115 | F114-Q158 CarbonylContact O-C 3.57Å; F114-Q158 WeakPolarHBondContact O-CA 3.22Å; F114-Q158 WeakPolarHBondContact O-CB 3.31Å; T115-Q158 HydrophobicContact CG2-CB 4.42Å |
| 159 | A | 95.9 | Very high | 94.7 | Very high | 20 Ų | 20 | 59.7 Ų | 59.7 | 17% | 0.165 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 156.4 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | G113 F114 V153 F161 | G113-A159 WeakPolarHBondContact CA-O 3.47Å; F114-A159 PolarHBondContact N-O 2.82Å; F114-A159 PolarHBondContact O-N 3.33Å; V153-A159 HydrophobicContact CG1-CB 4.44Å; V153-A159 HydrophobicContact CG2-CB 3.64Å; A159-F161 HydrophobicContact CB-CE1 4.2Å; A159-F161 HydrophobicContact CB-CE2 3.97Å; A159-F161 HydrophobicContact CB-CZ 3.6Å |
| 160 | T | 96.1 | Very high | 94.6 | Very high | 85 Ų | 85 | 62.4 Ų | 62.4 | 52% | 0.521 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 135.6 | 176.8 | -53 | 0 | 0 | 0 | 0 | 108.6 | L111 M112 | L111-T160 HydrophobicContact CB-CG2 4.11Å; L111-T160 HydrophobicContact CD2-CG2 4.22Å; M112-T160 CarbonylContact O-C 3.19Å; M112-T160 VanDerWaalsContact O-CA 3.29Å; M112-T160 WeakPolarHBondContact O-CA 3.26Å |
| 161 | F | 94.9 | Very high | 94.4 | Very high | 13 Ų | 13 | 61.4 Ų | 61.4 | 6% | 0.057 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 134.7 | -176.5 | -46.4 | -80.3 | 0 | 0 | 0 | 108.8 | L111 M112 F114 V124 L149 I151 A159 | L111-F161 CarbonylContact C-O 3.54Å; L111-F161 WeakPolarHBondContact CA-O 3.36Å; M112-F161 HydrophobicContact CE-CB 3.82Å; M112-F161 HydrophobicContact CE-CD2 3.26Å; M112-F161 HydrophobicContact CE-CE2 4.06Å; M112-F161 HydrophobicContact CE-CG 3.85Å; M112-F161 PolarHBondContact N-O 3.02Å; M112-F161 PolarHBondContact O-N 3Å; M112-F161 HydrophobicContact SD-CD2 3.58Å; M112-F161 VanDerWaalsContact SD-CD2 3.58Å; M112-F161 HydrophobicContact SD-CE2 4.15Å; F114-F161 HydrophobicContact CB-CE2 3.99Å; V124-F161 HydrophobicContact CB-CE2 4.4Å; V124-F161 HydrophobicContact CB-CZ 4.02Å; V124-F161 HydrophobicContact CG1-CE2 4.07Å; V124-F161 HydrophobicContact CG1-CZ 4.07Å; V124-F161 HydrophobicContact CG2-CE2 4.14Å; V124-F161 HydrophobicContact CG2-CZ 3.95Å; L149-F161 HydrophobicContact CD1-CB 4.13Å; L149-F161 HydrophobicContact CD1-CD1 3.59Å; L149-F161 HydrophobicContact CD1-CD2 4.02Å; L149-F161 HydrophobicContact CD1-CE1 3.89Å; L149-F161 HydrophobicContact CD1-CE2 4.27Å; L149-F161 HydrophobicContact CD1-CG 3.63Å; L149-F161 HydrophobicContact CD1-CZ 4.2Å; L149-F161 HydrophobicContact CD2-CB 4.34Å; L149-F161 HydrophobicContact CD2-CD1 3.61Å; L149-F161 HydrophobicContact CD2-CE1 4.23Å; L149-F161 HydrophobicContact CD2-CG 4.19Å; L149-F161 HydrophobicContact CG-CD1 4.15Å; L149-F161 HydrophobicContact CG-CE1 4.46Å; I151-F161 HydrophobicContact CB-CE1 4.08Å; I151-F161 HydrophobicContact CB-CZ 4.5Å; I151-F161 HydrophobicContact CD1-CD1 4.12Å; I151-F161 HydrophobicContact CD1-CE1 3.61Å; I151-F161 HydrophobicContact CG1-CE1 4.42Å; I151-F161 HydrophobicContact CG2-CE1 4.18Å; I151-F161 HydrophobicContact CG2-CZ 4.46Å; A159-F161 HydrophobicContact CB-CE1 4.2Å; A159-F161 HydrophobicContact CB-CE2 3.97Å; A159-F161 HydrophobicContact CB-CZ 3.6Å |
| 162 | E | 95.5 | Very high | 94.2 | Very high | 104 Ų | 104 | 58.1 Ų | 58.1 | 49% | 0.486 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 131.3 | 171.4 | -175.4 | 179.3 | 155.6 | 0 | 0 | 108.6 | K109 L111 | K109-E162 WeakPolarHBondContact CD-OE1 3.49Å; K109-E162 IonicContact NZ-OE1 3.96Å; K109-E162 PolarHBondContact NZ-OE1 2.84Å; L111-E162 HydrophobicContact CD2-CB 3.84Å; L111-E162 HydrophobicContact CD2-CG 4.23Å |
| 163 | Y | 96 | Very high | 93.9 | Very high | 16 Ų | 16 | 56.7 Ų | 56.7 | 6% | 0.063 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 148.5 | 170.7 | -176.5 | -94.7 | 0 | 0 | 0 | 109.9 | K109 F110 L127 A129 F144 T145 L147 F165 | K109-Y163 WeakPolarHBondContact CA-O 3.47Å; F110-Y163 HydrophobicContact CD1-CD1 4.35Å; F110-Y163 AromaticContact CE1-CD1 3.38Å; F110-Y163 HydrophobicContact CE1-CD1 3.38Å; F110-Y163 HydrophobicContact CE1-CE1 4.2Å; F110-Y163 HydrophobicContact CE1-CG 4.19Å; F110-Y163 HydrophobicContact CE2-CD1 4.4Å; F110-Y163 HydrophobicContact CE2-CG 4.47Å; F110-Y163 AromaticContact CZ-CD1 3.4Å; F110-Y163 HydrophobicContact CZ-CD1 3.4Å; F110-Y163 HydrophobicContact CZ-CE1 4.33Å; F110-Y163 AromaticContact CZ-CG 3.83Å; F110-Y163 HydrophobicContact CZ-CG 3.83Å; F110-Y163 PolarHBondContact N-O 2.87Å; F110-Y163 PolarHBondContact O-N 3.18Å; L127-Y163 HydrophobicContact CD2-CD1 3.77Å; L127-Y163 HydrophobicContact CD2-CD2 3.47Å; L127-Y163 VanDerWaalsContact CD2-CD2 3.47Å; L127-Y163 HydrophobicContact CD2-CE1 4.05Å; L127-Y163 HydrophobicContact CD2-CE2 3.79Å; L127-Y163 HydrophobicContact CD2-CG 3.44Å; L127-Y163 VanDerWaalsContact CD2-CG 3.44Å; A129-Y163 HydrophobicContact CB-CE1 3.78Å; F144-Y163 VanDerWaalsContact CB-OH 3.29Å; F144-Y163 WeakPolarHBondContact CB-OH 3.35Å; T145-Y163 WeakPolarHBondContact O-CE2 3.48Å; T145-Y163 PolarHBondContact O-OH 2.9Å; L147-Y163 HydrophobicContact CB-CD2 3.59Å; L147-Y163 HydrophobicContact CB-CE2 3.74Å; L147-Y163 HydrophobicContact CD2-CD2 3.9Å; L147-Y163 HydrophobicContact CG-CD2 4.35Å; Y163-F165 HydrophobicContact CD1-CD1 4.18Å; Y163-F165 HydrophobicContact CE1-CB 3.99Å; Y163-F165 AromaticContact CE1-CD1 3.95Å; Y163-F165 HydrophobicContact CE1-CD1 3.95Å; Y163-F165 HydrophobicContact CE1-CG 4.41Å |
| 164 | S | 95.4 | Very high | 93.7 | Very high | 59 Ų | 59 | 64 Ų | 64 | 41% | 0.413 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 142.1 | 178.8 | 66.5 | 0 | 0 | 0 | 0 | 111.5 | V108 | V108-S164 CarbonylContact O-C 3.59Å; V108-S164 WeakPolarHBondContact O-CA 2.88Å; V108-S164 WeakPolarHBondContact O-CB 3.01Å |
| 165 | F | 94.9 | Very high | 93.6 | Very high | 9 Ų | 9 | 65 Ų | 65 | 4% | 0.039 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 165.3 | 174.9 | 64.7 | -86.5 | 0 | 0 | 0 | 110.1 | F102 V108 F110 F131 F144 Y163 P167 L178 | F102-F165 HydrophobicContact CD1-CZ 4.22Å; F102-F165 HydrophobicContact CE1-CZ 4.26Å; V108-F165 HydrophobicContact CB-CE1 4.14Å; V108-F165 HydrophobicContact CB-CE2 4.15Å; V108-F165 HydrophobicContact CB-CZ 3.95Å; V108-F165 HydrophobicContact CG1-CE1 3.84Å; V108-F165 HydrophobicContact CG1-CE2 4.43Å; V108-F165 HydrophobicContact CG1-CZ 3.75Å; V108-F165 HydrophobicContact CG2-CE2 4.48Å; V108-F165 PolarHBondContact N-O 3.45Å; V108-F165 PolarHBondContact O-N 3.15Å; F110-F165 HydrophobicContact CD1-CD1 4.44Å; F110-F165 HydrophobicContact CD1-CE1 4.05Å; F110-F165 HydrophobicContact CE1-CD1 4.07Å; F110-F165 AromaticContact CE1-CE1 3.91Å; F110-F165 HydrophobicContact CE1-CE1 3.91Å; F131-F165 HydrophobicContact CE1-CE2 4.28Å; F131-F165 AromaticContact CZ-CE2 3.84Å; F131-F165 HydrophobicContact CZ-CE2 3.84Å; F144-F165 HydrophobicContact CB-CB 4.35Å; F144-F165 HydrophobicContact CD1-CB 3.76Å; F144-F165 HydrophobicContact CD1-CD2 4.29Å; F144-F165 HydrophobicContact CD1-CG 4.38Å; F144-F165 HydrophobicContact CD2-CB 4.22Å; F144-F165 HydrophobicContact CD2-CD2 4.11Å; F144-F165 HydrophobicContact CD2-CG 4.18Å; F144-F165 HydrophobicContact CE1-CB 4.05Å; F144-F165 AromaticContact CE1-CD2 3.8Å; F144-F165 HydrophobicContact CE1-CD2 3.8Å; F144-F165 HydrophobicContact CE1-CG 4.33Å; F144-F165 HydrophobicContact CE2-CB 4.49Å; F144-F165 AromaticContact CE2-CD2 3.6Å; F144-F165 HydrophobicContact CE2-CD2 3.6Å; F144-F165 AromaticContact CE2-CE2 3.99Å; F144-F165 HydrophobicContact CE2-CE2 3.99Å; F144-F165 HydrophobicContact CE2-CG 4.13Å; F144-F165 HydrophobicContact CG-CB 3.84Å; F144-F165 HydrophobicContact CG-CD2 4.44Å; F144-F165 HydrophobicContact CG-CG 4.31Å; F144-F165 HydrophobicContact CZ-CB 4.41Å; F144-F165 AromaticContact CZ-CD2 3.41Å; F144-F165 HydrophobicContact CZ-CD2 3.41Å; F144-F165 VanDerWaalsContact CZ-CD2 3.41Å; F144-F165 AromaticContact CZ-CE2 3.99Å; F144-F165 HydrophobicContact CZ-CE2 3.99Å; F144-F165 HydrophobicContact CZ-CG 4.2Å; Y163-F165 HydrophobicContact CD1-CD1 4.18Å; Y163-F165 HydrophobicContact CE1-CB 3.99Å; Y163-F165 AromaticContact CE1-CD1 3.95Å; Y163-F165 HydrophobicContact CE1-CD1 3.95Å; Y163-F165 HydrophobicContact CE1-CG 4.41Å; F165-P167 HydrophobicContact CD2-CG 4.31Å; F165-P167 HydrophobicContact CE2-CG 4.02Å; F165-L178 HydrophobicContact CZ-CD1 4.13Å; F165-L178 HydrophobicContact CZ-CD2 4.1Å |
| 166 | I | 94.4 | Very high | 93.6 | Very high | 85 Ų | 85 | 63.7 Ų | 63.7 | 44% | 0.436 | 35% | 0.353 | S | S | . | . | trans | -123.4 | 111.8 | -179.2 | -59.4 | 168.3 | 0 | 0 | 0 | 107.5 | I107 F144 | I107-I166 HydrophobicContact CB-CG1 4.49Å; I107-I166 HydrophobicContact CG1-CD1 4.03Å; I107-I166 HydrophobicContact CG1-CG1 3.88Å; F144-I166 WeakPolarHBondContact CE1-O 3.49Å | ||
| 167 | P | 93.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 32% | 0.321 | C | S | . | . | trans | -61.5 | 134.3 | 170 | -20.3 | 32.9 | 0 | 0 | 0 | 110.2 | N105 D106 V108 F131 F165 I203 | N105-P167 WeakPolarHBondContact CA-O 3.24Å; N105-P167 PolarHBondContact N-O 2.9Å; D106-P167 VanDerWaalsContact O-CD 3.32Å; D106-P167 WeakPolarHBondContact O-CD 3.29Å; V108-P167 HydrophobicContact CG2-CG 4.04Å; F131-P167 HydrophobicContact CE2-CB 3.94Å; F131-P167 HydrophobicContact CE2-CG 4.38Å; F131-P167 HydrophobicContact CZ-CB 4.23Å; F131-P167 HydrophobicContact CZ-CG 4.22Å; F165-P167 HydrophobicContact CD2-CG 4.31Å; F165-P167 HydrophobicContact CE2-CG 4.02Å; P167-I203 HydrophobicContact CB-CD1 4.17Å; P167-I203 HydrophobicContact CB-CG2 4.11Å; P167-I203 HydrophobicContact CG-CD1 4.25Å | ||
| 168 | A | 90.3 | Very high | 93.6 | Very high | 34 Ų | 34 | 52.9 Ų | 52.9 | 28% | 0.281 | 29% | 0.292 | S | S | . | . | trans | -65.6 | 143.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | P170 M171 | A168-P170 VanDerWaalsContact C-CD 3.43Å; A168-P170 HydrophobicContact CB-CG 4.31Å; A168-M171 HydrophobicContact CB-CG 4.13Å; A168-M171 VanDerWaalsContact O-CB 3.24Å; A168-M171 WeakPolarHBondContact O-CB 3.22Å; A168-M171 WeakPolarHBondContact O-CG 3.44Å; A168-M171 PolarHBondContact O-N 3.2Å | ||
| 169 | E | 90 | Very high | 93.6 | Very high | 129 Ų | 129 | 46.1 Ų | 46.1 | 60% | 0.603 | 26% | 0.261 | S | S | * | . | G | 310 helix | trans | -47.9 | -46.6 | 177.7 | -167.9 | 178.2 | 168.1 | 0 | 0 | 115.3 | N105 M171 G172 | N105-E169 HydrophobicContact CB-CB 4.34Å; E169-M171 PolarHBondContact O-N 2.89Å; E169-G172 PolarHBondContact O-N 3.45Å |
| 170 | P | 89.8 | Confident | 93.6 | Very high | 94 Ų | 94 | 45.2 Ų | 45.2 | 61% | 0.61 | 25% | 0.253 | S | S | * | . | G | 310 helix | trans | -68.5 | -4.6 | -179 | 29 | -38.2 | 0 | 0 | 0 | 114.4 | A168 G172 | A168-P170 VanDerWaalsContact C-CD 3.43Å; A168-P170 HydrophobicContact CB-CG 4.31Å; P170-G172 VanDerWaalsContact C-N 3.31Å |
| 171 | M | 89.3 | Confident | 93.6 | Very high | 31 Ų | 31 | 41.8 Ų | 41.8 | 15% | 0.153 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -83.8 | -9.6 | 174.1 | -55.5 | -70.9 | 88.6 | 0 | 0 | 111.9 | I141 A168 E169 R174 F176 I203 | I141-M171 HydrophobicContact CG2-SD 4.15Å; A168-M171 HydrophobicContact CB-CG 4.13Å; A168-M171 VanDerWaalsContact O-CB 3.24Å; A168-M171 WeakPolarHBondContact O-CB 3.22Å; A168-M171 WeakPolarHBondContact O-CG 3.44Å; A168-M171 PolarHBondContact O-N 3.2Å; E169-M171 PolarHBondContact O-N 2.89Å; M171-R174 PolarHBondContact O-N 3.41Å; M171-F176 HydrophobicContact CB-CD2 4.44Å; M171-F176 HydrophobicContact CB-CE2 3.63Å; M171-F176 HydrophobicContact CB-CZ 3.85Å; M171-F176 HydrophobicContact CE-CE1 4.32Å; M171-F176 HydrophobicContact CE-CZ 3.92Å; M171-F176 HydrophobicContact CG-CE2 4.31Å; M171-F176 HydrophobicContact CG-CZ 4.11Å; M171-F176 VanDerWaalsContact O-CE2 3.27Å; M171-F176 WeakPolarHBondContact O-CE2 3.2Å; M171-F176 HydrophobicContact SD-CD1 4.31Å; M171-F176 HydrophobicContact SD-CE1 3.44Å; M171-F176 WeakPolarHBondContact SD-CE1 3.39Å; M171-F176 HydrophobicContact SD-CE2 3.97Å; M171-F176 HydrophobicContact SD-CZ 3.22Å; M171-F176 WeakPolarHBondContact SD-CZ 3.26Å; M171-I203 HydrophobicContact CB-CG1 4.39Å; M171-I203 HydrophobicContact CB-CG2 4.41Å; M171-I203 WeakPolarHBondContact O-CB 3.18Å |
| 172 | G | 91.5 | Very high | 93.6 | Very high | 5 Ų | 5 | 41.2 Ų | 41.2 | 5% | 0.052 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | 140.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | E169 P170 R174 E205 | E169-G172 PolarHBondContact O-N 3.45Å; P170-G172 VanDerWaalsContact C-N 3.31Å; G172-R174 VanDerWaalsContact C-N 3.28Å; G172-R174 PolarHBondContact O-N 3.38Å; G172-E205 VanDerWaalsContact CA-CG 3.44Å |
| 173 | G | 90.1 | Very high | 93.7 | Very high | 51 Ų | 51 | 37.5 Ų | 37.5 | 53% | 0.526 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80.2 | 0.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | I203 | G173-I203 WeakPolarHBondContact CA-O 3.4Å; G173-I203 PolarHBondContact N-O 2.93Å |
| 174 | R | 92.1 | Very high | 93.7 | Very high | 156 Ų | 156 | 36.7 Ų | 36.7 | 59% | 0.589 | 21% | 0.209 | S | C | * | . | S | Bend | trans | -119.5 | 149.3 | -175.5 | -58.9 | 178.9 | -167.3 | -167 | 3.8 | 112.4 | M171 G172 F176 I203 | M171-R174 PolarHBondContact O-N 3.41Å; G172-R174 VanDerWaalsContact C-N 3.28Å; G172-R174 PolarHBondContact O-N 3.38Å; R174-F176 HydrophobicContact CB-CD2 4.45Å; R174-F176 HydrophobicContact CB-CE2 3.58Å; R174-F176 HydrophobicContact CB-CZ 3.81Å; R174-F176 WeakPolarHBondContact O-CD2 3.45Å; R174-F176 WeakPolarHBondContact O-CE2 3.36Å; R174-I203 PolarHBondContact O-N 2.9Å; R174-I203 VanDerWaalsContact O-N 3.09Å |
| 175 | P | 94.9 | Very high | 93.7 | Very high | 63 Ų | 63 | 37.1 Ų | 37.1 | 41% | 0.409 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 138.1 | 171.3 | 32.6 | -32.7 | 0 | 0 | 0 | 111.4 | T200 V201 | P175-T200 HydrophobicContact CB-CG2 3.75Å; P175-V201 CarbonylContact C-O 3.54Å; P175-V201 WeakPolarHBondContact CA-O 3.29Å |
| 176 | F | 95.2 | Very high | 93.6 | Very high | 13 Ų | 13 | 38 Ų | 38 | 6% | 0.057 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 148.4 | 174.9 | -63.8 | -85.4 | 0 | 0 | 0 | 110.7 | F131 I141 M171 R174 L178 T200 V201 I203 | F131-F176 HydrophobicContact CB-CB 4.43Å; F131-F176 HydrophobicContact CD1-CB 4.16Å; F131-F176 HydrophobicContact CG-CB 4.27Å; I141-F176 HydrophobicContact CD1-CD1 3.56Å; I141-F176 HydrophobicContact CD1-CE1 3.83Å; I141-F176 HydrophobicContact CG2-CE1 4.48Å; M171-F176 HydrophobicContact CB-CD2 4.44Å; M171-F176 HydrophobicContact CB-CE2 3.63Å; M171-F176 HydrophobicContact CB-CZ 3.85Å; M171-F176 HydrophobicContact CE-CE1 4.32Å; M171-F176 HydrophobicContact CE-CZ 3.92Å; M171-F176 HydrophobicContact CG-CE2 4.31Å; M171-F176 HydrophobicContact CG-CZ 4.11Å; M171-F176 VanDerWaalsContact O-CE2 3.27Å; M171-F176 WeakPolarHBondContact O-CE2 3.2Å; M171-F176 HydrophobicContact SD-CD1 4.31Å; M171-F176 HydrophobicContact SD-CE1 3.44Å; M171-F176 WeakPolarHBondContact SD-CE1 3.39Å; M171-F176 HydrophobicContact SD-CE2 3.97Å; M171-F176 HydrophobicContact SD-CZ 3.22Å; M171-F176 WeakPolarHBondContact SD-CZ 3.26Å; R174-F176 HydrophobicContact CB-CD2 4.45Å; R174-F176 HydrophobicContact CB-CE2 3.58Å; R174-F176 HydrophobicContact CB-CZ 3.81Å; R174-F176 WeakPolarHBondContact O-CD2 3.45Å; R174-F176 WeakPolarHBondContact O-CE2 3.36Å; F176-L178 PolarHBondContact O-N 3.46Å; F176-T200 CarbonylContact O-C 3.12Å; F176-T200 VanDerWaalsContact O-CA 3.28Å; F176-T200 WeakPolarHBondContact O-CA 3.32Å; F176-V201 PolarHBondContact N-O 3.05Å; F176-V201 PolarHBondContact O-N 3.06Å; F176-I203 HydrophobicContact CD2-CG1 3.62Å; F176-I203 HydrophobicContact CE2-CG1 4.03Å |
| 177 | G | 95.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 112.2 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | F131 R132 | F131-G177 CarbonylContact C-O 3.58Å; F131-G177 WeakPolarHBondContact CA-O 3.16Å; R132-G177 PolarHBondContact N-O 3.37Å; R132-G177 PolarHBondContact O-N 3.02Å |
| 178 | L | 95.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 119.7 | 171 | 174.6 | 61 | 0 | 0 | 0 | 108.6 | F96 F102 F131 F165 F176 I180 F197 N198 Q199 V201 | F96-L178 HydrophobicContact CE1-CD2 4.32Å; F96-L178 HydrophobicContact CZ-CD2 4.05Å; F102-L178 HydrophobicContact CE1-CD2 3.77Å; F102-L178 HydrophobicContact CZ-CD2 4.14Å; F131-L178 HydrophobicContact CD1-CB 4.19Å; F131-L178 HydrophobicContact CD1-CD1 3.95Å; F131-L178 HydrophobicContact CE1-CB 4.06Å; F131-L178 HydrophobicContact CE1-CD1 3.74Å; F131-L178 HydrophobicContact CE1-CG 4.34Å; F165-L178 HydrophobicContact CZ-CD1 4.13Å; F165-L178 HydrophobicContact CZ-CD2 4.1Å; F176-L178 PolarHBondContact O-N 3.46Å; L178-I180 HydrophobicContact CD1-CD1 4.46Å; L178-I180 HydrophobicContact CD1-CG1 4.15Å; L178-I180 HydrophobicContact CD2-CD1 4.24Å; L178-I180 HydrophobicContact CG-CD1 4.33Å; L178-I180 HydrophobicContact CG-CG1 4.28Å; L178-F197 HydrophobicContact CB-CD1 4.17Å; L178-F197 HydrophobicContact CB-CE1 4.02Å; L178-F197 HydrophobicContact CD2-CD1 3.9Å; L178-F197 HydrophobicContact CD2-CE1 3.79Å; L178-F197 HydrophobicContact CG-CD1 3.83Å; L178-F197 HydrophobicContact CG-CE1 4.01Å; L178-F197 WeakPolarHBondContact O-CD1 3.23Å; L178-N198 WeakPolarHBondContact O-CA 3.37Å; L178-Q199 PolarHBondContact N-O 3.28Å; L178-Q199 PolarHBondContact O-N 2.91Å; L178-V201 HydrophobicContact CB-CG1 4.2Å; L178-V201 HydrophobicContact CB-CG2 3.73Å; L178-V201 HydrophobicContact CD2-CG1 4.33Å; L178-V201 HydrophobicContact CD2-CG2 4.32Å |
| 179 | V | 95.7 | Very high | 93.1 | Very high | 2 Ų | 2 | 43.9 Ų | 43.9 | 1% | 0.012 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 125 | 174.6 | 179.6 | 0 | 0 | 0 | 0 | 109.4 | A129 S130 F137 N181 F197 | A129-V179 CarbonylContact C-O 3.53Å; A129-V179 WeakPolarHBondContact CA-O 3.23Å; S130-V179 PolarHBondContact N-O 3.25Å; S130-V179 PolarHBondContact O-N 2.93Å; F137-V179 HydrophobicContact CD1-CG2 3.43Å; F137-V179 VanDerWaalsContact CD1-CG2 3.43Å; F137-V179 HydrophobicContact CE1-CG2 3.75Å; V179-N181 WeakPolarHBondContact CG1-OD1 3.47Å; V179-F197 CarbonylContact C-O 3.51Å; V179-F197 VanDerWaalsContact CA-O 3.29Å; V179-F197 WeakPolarHBondContact CA-O 3.48Å |
| 180 | I | 95.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 117.6 | 174.4 | -59.2 | 166.8 | 0 | 0 | 0 | 107.1 | I94 F96 F110 L127 D128 A129 L178 A195 V196 F197 | I94-I180 HydrophobicContact CD1-CD1 3.43Å; I94-I180 VanDerWaalsContact CD1-CD1 3.43Å; F96-I180 HydrophobicContact CE1-CD1 4.46Å; F96-I180 HydrophobicContact CZ-CD1 4.17Å; F110-I180 HydrophobicContact CD1-CD1 4.01Å; F110-I180 HydrophobicContact CE1-CD1 3.47Å; F110-I180 VanDerWaalsContact CE1-CD1 3.47Å; F110-I180 HydrophobicContact CE1-CG1 4.27Å; F110-I180 HydrophobicContact CE2-CD1 4.3Å; F110-I180 HydrophobicContact CE2-CG2 4.17Å; F110-I180 HydrophobicContact CZ-CD1 3.65Å; F110-I180 HydrophobicContact CZ-CG1 4.21Å; F110-I180 HydrophobicContact CZ-CG2 3.78Å; L127-I180 HydrophobicContact CD1-CG2 3.86Å; L127-I180 HydrophobicContact CD2-CG2 4.32Å; L127-I180 HydrophobicContact CG-CG2 4.14Å; D128-I180 CarbonylContact O-C 3.6Å; D128-I180 WeakPolarHBondContact O-CA 3.4Å; A129-I180 HydrophobicContact CB-CG1 4.18Å; L178-I180 HydrophobicContact CD1-CD1 4.46Å; L178-I180 HydrophobicContact CD1-CG1 4.15Å; L178-I180 HydrophobicContact CD2-CD1 4.24Å; L178-I180 HydrophobicContact CG-CD1 4.33Å; L178-I180 HydrophobicContact CG-CG1 4.28Å; I180-A195 CarbonylContact O-C 3.55Å; I180-V196 PolarHBondContact O-N 2.87Å; I180-F197 HydrophobicContact CB-CB 3.99Å; I180-F197 HydrophobicContact CD1-CB 3.93Å; I180-F197 HydrophobicContact CD1-CD1 4.46Å; I180-F197 HydrophobicContact CD1-CG 4.41Å; I180-F197 HydrophobicContact CG1-CB 4.19Å; I180-F197 PolarHBondContact N-O 3.19Å; I180-F197 PolarHBondContact O-N 3.18Å |
| 181 | N | 95.4 | Very high | 93.4 | Very high | 14 Ų | 14 | 42.5 Ų | 42.5 | 8% | 0.075 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 139.3 | 179.7 | -65.3 | -39.9 | 0 | 0 | 0 | 109.9 | L127 D128 V179 Q193 D194 A195 | L127-N181 WeakPolarHBondContact CA-O 3.32Å; D128-N181 PolarHBondContact N-O 2.82Å; D128-N181 PolarHBondContact O-N 2.9Å; V179-N181 WeakPolarHBondContact CG1-OD1 3.47Å; N181-Q193 HydrophobicContact CB-CG 4.27Å; N181-Q193 VanDerWaalsContact CG-NE2 3.33Å; N181-Q193 PolarHBondContact ND2-NE2 3.48Å; N181-D194 CarbonylContact C-O 3.55Å; N181-D194 WeakPolarHBondContact CA-O 3.31Å; N181-A195 WeakPolarHBondContact OD1-CA 3.42Å |
| 182 | L | 95.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 120.7 | 171.3 | -176.5 | 64.4 | 0 | 0 | 0 | 109.3 | T92 M112 F114 V124 L127 Y184 Q193 D194 V196 | T92-L182 HydrophobicContact CG2-CD2 3.9Å; M112-L182 HydrophobicContact CE-CD1 3.34Å; M112-L182 HydrophobicContact CE-CD2 4.3Å; M112-L182 HydrophobicContact CE-CG 4.37Å; M112-L182 HydrophobicContact SD-CD1 3.87Å; M112-L182 HydrophobicContact SD-CD2 3.64Å; M112-L182 HydrophobicContact SD-CG 4.29Å; F114-L182 HydrophobicContact CB-CD2 4.47Å; F114-L182 HydrophobicContact CD2-CD2 3.51Å; F114-L182 HydrophobicContact CE2-CD2 4.18Å; F114-L182 HydrophobicContact CG-CD2 4.37Å; V124-L182 HydrophobicContact CG1-CD1 3.5Å; V124-L182 HydrophobicContact CG1-CG 4.27Å; L127-L182 HydrophobicContact CB-CD1 4.32Å; L182-Y184 HydrophobicContact CD2-CD1 4.34Å; L182-Y184 HydrophobicContact CG-CD1 4.19Å; L182-Q193 WeakPolarHBondContact O-CA 3.39Å; L182-D194 PolarHBondContact N-O 2.83Å; L182-D194 PolarHBondContact O-N 3.46Å; L182-V196 HydrophobicContact CB-CG2 3.82Å |
| 183 | N | 95.9 | Very high | 93.9 | Very high | 26 Ų | 26 | 45.7 Ų | 45.7 | 14% | 0.139 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 127.3 | 176.4 | -55.8 | -34.4 | 0 | 0 | 0 | 109.3 | E125 S126 D128 Q193 | E125-N183 PolarHBondContact N-O 2.87Å; S126-N183 PolarHBondContact N-O 2.76Å; S126-N183 PolarHBondContact O-N 3.49Å; S126-N183 PolarHBondContact OG-ND2 3Å; D128-N183 PolarHBondContact OD2-ND2 3.18Å; N183-Q193 VanDerWaalsContact OD1-CG 3.26Å; N183-Q193 WeakPolarHBondContact OD1-CG 3.25Å |
| 184 | Y | 96 | Very high | 94.1 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 157.5 | -179.3 | 61.3 | -79.4 | 0 | 0 | 0 | 110.2 | S87 A90 F114 F122 V123 L182 F192 D194 | S87-Y184 PolarHBondContact N-OH 2.86Å; A90-Y184 HydrophobicContact CB-CE2 3.74Å; A90-Y184 WeakPolarHBondContact CB-OH 3.27Å; F114-Y184 HydrophobicContact CE2-CD1 4.13Å; F114-Y184 AromaticContact CE2-CD2 3.92Å; F114-Y184 HydrophobicContact CE2-CD2 3.92Å; F114-Y184 HydrophobicContact CE2-CE1 4.24Å; F114-Y184 AromaticContact CE2-CE2 3.99Å; F114-Y184 HydrophobicContact CE2-CE2 3.99Å; F114-Y184 AromaticContact CE2-CG 3.98Å; F114-Y184 HydrophobicContact CE2-CG 3.98Å; F114-Y184 AromaticContact CZ-CD2 3.94Å; F114-Y184 HydrophobicContact CZ-CD2 3.94Å; F114-Y184 HydrophobicContact CZ-CE2 4.13Å; F114-Y184 HydrophobicContact CZ-CG 4.33Å; F122-Y184 HydrophobicContact CB-CD2 4.47Å; F122-Y184 AromaticContact CD1-CD2 3.75Å; F122-Y184 HydrophobicContact CD1-CD2 3.75Å; F122-Y184 HydrophobicContact CD1-CE2 4.06Å; F122-Y184 HydrophobicContact CE1-CD2 4.24Å; F122-Y184 HydrophobicContact CE1-CE2 4.1Å; F122-Y184 HydrophobicContact CG-CD2 4.17Å; V123-Y184 CarbonylContact O-C 3.53Å; V123-Y184 WeakPolarHBondContact O-CA 3.33Å; V123-Y184 WeakPolarHBondContact O-CB 3.36Å; L182-Y184 HydrophobicContact CD2-CD1 4.34Å; L182-Y184 HydrophobicContact CG-CD1 4.19Å; Y184-F192 HydrophobicContact CD1-CB 4.34Å; Y184-F192 HydrophobicContact CD2-CB 4Å; Y184-F192 HydrophobicContact CD2-CD2 4.46Å; Y184-F192 HydrophobicContact CE1-CB 3.92Å; Y184-F192 HydrophobicContact CE2-CB 3.57Å; Y184-F192 HydrophobicContact CE2-CD2 4.21Å; Y184-F192 HydrophobicContact CE2-CG 4.13Å; Y184-F192 HydrophobicContact CG-CB 4.37Å; Y184-F192 PolarHBondContact N-O 3.02Å; Y184-F192 WeakPolarHBondContact O-CA 3.22Å; Y184-F192 PolarHBondContact O-N 3.39Å; Y184-D194 HydrophobicContact CE1-CB 4.08Å |
| 185 | K | 95.4 | Very high | 94.2 | Very high | 68 Ų | 68 | 39.8 Ų | 39.8 | 30% | 0.296 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 152 | 178.2 | 64.4 | -178.7 | 174.8 | -154.9 | 0 | 112.2 | F122 V123 E125 N190 L191 | F122-K185 CarbonylContact C-O 3.55Å; F122-K185 WeakPolarHBondContact CA-O 3.39Å; V123-K185 HydrophobicContact CB-CG 3.92Å; V123-K185 HydrophobicContact CG2-CG 4.48Å; V123-K185 PolarHBondContact N-O 2.69Å; V123-K185 PolarHBondContact O-N 2.95Å; E125-K185 HydrophobicContact CG-CD 4.42Å; E125-K185 HydrophobicContact CG-CG 4.28Å; E125-K185 WeakPolarHBondContact OE1-CD 3.39Å; E125-K185 WeakPolarHBondContact OE1-CE 3.48Å; E125-K185 IonicContact OE1-NZ 2.64Å; E125-K185 PolarHBondContact OE1-NZ 2.82Å; K185-N190 WeakPolarHBondContact CA-O 3.45Å; K185-N190 WeakPolarHBondContact CB-O 3.48Å; K185-L191 HydrophobicContact CB-CD2 4.26Å |
| 186 | D | 93.9 | Very high | 94.2 | Very high | 26 Ų | 26 | 37.9 Ų | 37.9 | 14% | 0.139 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 170.7 | 171.2 | -165.9 | 8 | 0 | 0 | 0 | 111.1 | D120 F122 N188 G189 N190 F192 | D120-D186 WeakPolarHBondContact CB-OD1 3.48Å; F122-D186 HydrophobicContact CD1-CB 4.05Å; F122-D186 HydrophobicContact CE1-CB 3.79Å; D186-N188 PolarHBondContact O-N 3.5Å; D186-N188 VanDerWaalsContact O-N 3.07Å; D186-G189 PolarHBondContact O-N 2.81Å; D186-N190 PolarHBondContact N-O 2.81Å; D186-N190 VanDerWaalsContact N-O 3.1Å; D186-F192 HydrophobicContact CB-CE2 3.89Å |
| 187 | S | 89.8 | Confident | 94.1 | Very high | 71 Ų | 71 | 38.3 Ų | 38.3 | 50% | 0.497 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -22.4 | 175 | -63.6 | 0 | 0 | 0 | 0 | 113.1 | N121 G189 | N121-S187 PolarHBondContact N-OG 2.99Å; N121-S187 PolarHBondContact O-N 2.83Å; N121-S187 PolarHBondContact O-OG 3.18Å; S187-G189 VanDerWaalsContact C-N 3.33Å |
| 188 | N | 89 | Confident | 94.1 | Very high | 127 Ų | 127 | 42.3 Ų | 42.3 | 68% | 0.679 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | -1.3 | 177.2 | -64.2 | 9.5 | 0 | 0 | 0 | 113.5 | D186 N190 | D186-N188 PolarHBondContact O-N 3.5Å; D186-N188 VanDerWaalsContact O-N 3.07Å; N188-N190 VanDerWaalsContact C-N 3.32Å |
| 189 | G | 88.9 | Confident | 94 | Very high | 46 Ų | 46 | 48 Ų | 48 | 47% | 0.474 | 27% | 0.268 | S | S | . | . | trans | 81.3 | 6.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | D186 S187 L191 | D186-G189 PolarHBondContact O-N 2.81Å; S187-G189 VanDerWaalsContact C-N 3.33Å; G189-L191 PolarHBondContact O-N 3.29Å | ||
| 190 | N | 91.8 | Very high | 93.9 | Very high | 88 Ų | 88 | 51.3 Ų | 51.3 | 47% | 0.471 | 29% | 0.289 | S | S | . | . | trans | -70.4 | 123.8 | 174.2 | -63.1 | -35.1 | 0 | 0 | 0 | 109.8 | K185 D186 N188 F192 | K185-N190 WeakPolarHBondContact CA-O 3.45Å; K185-N190 WeakPolarHBondContact CB-O 3.48Å; D186-N190 PolarHBondContact N-O 2.81Å; D186-N190 VanDerWaalsContact N-O 3.1Å; N188-N190 VanDerWaalsContact C-N 3.32Å; N190-F192 HydrophobicContact CB-CE2 3.82Å; N190-F192 HydrophobicContact CB-CZ 4Å; N190-F192 WeakPolarHBondContact O-CD2 3.27Å; N190-F192 WeakPolarHBondContact O-CE2 3.35Å | ||
| 191 | L | 93.8 | Very high | 93.8 | Very high | 106 Ų | 106 | 51.9 Ų | 51.9 | 56% | 0.555 | 29% | 0.292 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 137.1 | 175.6 | -68.1 | 162.5 | 0 | 0 | 0 | 110.2 | V84 E125 K185 G189 | V84-L191 HydrophobicContact CG1-CB 4.46Å; V84-L191 WeakPolarHBondContact CG1-O 3.28Å; E125-L191 VanDerWaalsContact OE2-CD2 3.31Å; E125-L191 WeakPolarHBondContact OE2-CD2 3.45Å; K185-L191 HydrophobicContact CB-CD2 4.26Å; G189-L191 PolarHBondContact O-N 3.29Å |
| 192 | F | 95.1 | Very high | 93.8 | Very high | 45 Ų | 45 | 55.1 Ų | 55.1 | 20% | 0.197 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 145.5 | 173.8 | -61.8 | -77.3 | 0 | 0 | 0 | 108.6 | V84 K85 F122 Y184 D186 N190 | V84-F192 VanDerWaalsContact CG1-C 3.5Å; V84-F192 VanDerWaalsContact CG1-CA 3.45Å; K85-F192 WeakPolarHBondContact O-CD1 3.49Å; F122-F192 HydrophobicContact CE1-CD2 4.29Å; F122-F192 HydrophobicContact CE1-CE2 4.31Å; Y184-F192 HydrophobicContact CD1-CB 4.34Å; Y184-F192 HydrophobicContact CD2-CB 4Å; Y184-F192 HydrophobicContact CD2-CD2 4.46Å; Y184-F192 HydrophobicContact CE1-CB 3.92Å; Y184-F192 HydrophobicContact CE2-CB 3.57Å; Y184-F192 HydrophobicContact CE2-CD2 4.21Å; Y184-F192 HydrophobicContact CE2-CG 4.13Å; Y184-F192 HydrophobicContact CG-CB 4.37Å; Y184-F192 PolarHBondContact N-O 3.02Å; Y184-F192 WeakPolarHBondContact O-CA 3.22Å; Y184-F192 PolarHBondContact O-N 3.39Å; D186-F192 HydrophobicContact CB-CE2 3.89Å; N190-F192 HydrophobicContact CB-CE2 3.82Å; N190-F192 HydrophobicContact CB-CZ 4Å; N190-F192 WeakPolarHBondContact O-CD2 3.27Å; N190-F192 WeakPolarHBondContact O-CE2 3.35Å |
| 193 | Q | 95.4 | Very high | 93.7 | Very high | 57 Ų | 57 | 55.1 Ų | 55.1 | 27% | 0.266 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 129 | 180 | 178 | 173.4 | -11.6 | 0 | 0 | 107.8 | V84 K85 A86 N181 L182 N183 | V84-Q193 HydrophobicContact CB-CB 3.93Å; V84-Q193 HydrophobicContact CG1-CB 3.7Å; V84-Q193 VanDerWaalsContact CG1-N 3.31Å; K85-Q193 CarbonylContact C-O 3.52Å; A86-Q193 WeakPolarHBondContact CA-O 3.45Å; A86-Q193 PolarHBondContact N-O 3.09Å; N181-Q193 HydrophobicContact CB-CG 4.27Å; N181-Q193 VanDerWaalsContact CG-NE2 3.33Å; N181-Q193 PolarHBondContact ND2-NE2 3.48Å; L182-Q193 WeakPolarHBondContact O-CA 3.39Å; N183-Q193 VanDerWaalsContact OD1-CG 3.26Å; N183-Q193 WeakPolarHBondContact OD1-CG 3.25Å |
| 194 | D | 95 | Very high | 93.5 | Very high | 33 Ų | 33 | 56.6 Ų | 56.6 | 18% | 0.176 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 127.2 | 177.5 | -169.1 | 17.1 | 0 | 0 | 0 | 110.4 | A86 T92 N181 L182 Y184 V196 | A86-D194 HydrophobicContact CB-CB 3.81Å; T92-D194 WeakPolarHBondContact CB-OD2 3.35Å; T92-D194 HydrophobicContact CG2-CB 4.32Å; T92-D194 WeakPolarHBondContact CG2-OD2 3.2Å; T92-D194 PolarHBondContact OG1-OD2 2.97Å; N181-D194 CarbonylContact C-O 3.55Å; N181-D194 WeakPolarHBondContact CA-O 3.31Å; L182-D194 PolarHBondContact N-O 2.83Å; L182-D194 PolarHBondContact O-N 3.46Å; Y184-D194 HydrophobicContact CE1-CB 4.08Å; D194-V196 VanDerWaalsContact C-N 3.26Å; D194-V196 HydrophobicContact CB-CG2 4.49Å; D194-V196 PolarHBondContact O-N 3.28Å |
| 195 | A | 94.2 | Very high | 93.2 | Very high | 50 Ų | 50 | 62.9 Ų | 62.9 | 41% | 0.413 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 73.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 109 | I180 N181 F197 | I180-A195 CarbonylContact O-C 3.55Å; N181-A195 WeakPolarHBondContact OD1-CA 3.42Å; A195-F197 PolarHBondContact O-N 3.28Å; A195-F197 VanDerWaalsContact O-N 3.15Å |
| 196 | V | 94.4 | Very high | 92.3 | Very high | 23 Ų | 23 | 66.5 Ų | 66.5 | 14% | 0.139 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.9 | -35.8 | -173.8 | -171.3 | 0 | 0 | 0 | 0 | 111.8 | T92 I94 I180 L182 D194 | T92-V196 HydrophobicContact CG2-CG2 4.16Å; I94-V196 HydrophobicContact CB-CG1 3.86Å; I94-V196 HydrophobicContact CG2-CG1 4.16Å; I180-V196 PolarHBondContact O-N 2.87Å; L182-V196 HydrophobicContact CB-CG2 3.82Å; D194-V196 VanDerWaalsContact C-N 3.26Å; D194-V196 HydrophobicContact CB-CG2 4.49Å; D194-V196 PolarHBondContact O-N 3.28Å |
| 197 | F | 94.7 | Very high | 91.2 | Very high | 23 Ų | 23 | 74 Ų | 74 | 10% | 0.101 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 128.3 | 173.9 | -165.6 | -96.6 | 0 | 0 | 0 | 109.6 | I94 F96 L178 V179 I180 A195 Q199 V201 | I94-F197 HydrophobicContact CD1-CB 4.02Å; I94-F197 HydrophobicContact CD1-CG 4.47Å; I94-F197 HydrophobicContact CG2-CD2 4.1Å; F96-F197 AromaticContact CE2-CD2 3.97Å; F96-F197 HydrophobicContact CE2-CD2 3.97Å; F96-F197 AromaticContact CE2-CE2 3.72Å; F96-F197 HydrophobicContact CE2-CE2 3.72Å; F96-F197 HydrophobicContact CE2-CG 4.47Å; F96-F197 HydrophobicContact CE2-CZ 4.01Å; F96-F197 HydrophobicContact CZ-CD1 4.4Å; F96-F197 HydrophobicContact CZ-CD2 4.31Å; F96-F197 HydrophobicContact CZ-CE1 4.35Å; F96-F197 HydrophobicContact CZ-CE2 4.27Å; F96-F197 HydrophobicContact CZ-CG 4.36Å; F96-F197 HydrophobicContact CZ-CZ 4.28Å; L178-F197 HydrophobicContact CB-CD1 4.17Å; L178-F197 HydrophobicContact CB-CE1 4.02Å; L178-F197 HydrophobicContact CD2-CD1 3.9Å; L178-F197 HydrophobicContact CD2-CE1 3.79Å; L178-F197 HydrophobicContact CG-CD1 3.83Å; L178-F197 HydrophobicContact CG-CE1 4.01Å; L178-F197 WeakPolarHBondContact O-CD1 3.23Å; V179-F197 CarbonylContact C-O 3.51Å; V179-F197 VanDerWaalsContact CA-O 3.29Å; V179-F197 WeakPolarHBondContact CA-O 3.48Å; I180-F197 HydrophobicContact CB-CB 3.99Å; I180-F197 HydrophobicContact CD1-CB 3.93Å; I180-F197 HydrophobicContact CD1-CD1 4.46Å; I180-F197 HydrophobicContact CD1-CG 4.41Å; I180-F197 HydrophobicContact CG1-CB 4.19Å; I180-F197 PolarHBondContact N-O 3.19Å; I180-F197 PolarHBondContact O-N 3.18Å; A195-F197 PolarHBondContact O-N 3.28Å; A195-F197 VanDerWaalsContact O-N 3.15Å; F197-Q199 HydrophobicContact CE1-CB 3.8Å; F197-Q199 HydrophobicContact CE1-CG 4.45Å; F197-Q199 HydrophobicContact CE2-CB 4.38Å; F197-Q199 HydrophobicContact CE2-CG 4.29Å; F197-Q199 HydrophobicContact CZ-CB 3.73Å; F197-Q199 HydrophobicContact CZ-CG 4.14Å; F197-V201 HydrophobicContact CE1-CG1 3.87Å; F197-V201 HydrophobicContact CZ-CG1 4.06Å |
| 198 | N | 94.1 | Very high | 90.3 | Very high | 83 Ų | 83 | 76.4 Ų | 76.4 | 44% | 0.444 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 80.3 | 178.4 | -174.1 | -10.1 | 0 | 0 | 0 | 108.6 | F137 L178 | F137-N198 WeakPolarHBondContact CD1-OD1 3.44Å; F137-N198 WeakPolarHBondContact CE1-OD1 3.25Å; L178-N198 WeakPolarHBondContact O-CA 3.37Å |
| 199 | Q | 93.5 | Very high | 89.2 | Confident | 120 Ų | 120 | 74.2 Ų | 74.2 | 56% | 0.561 | 41% | 0.413 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 157.2 | -176.5 | -61.9 | -174.5 | -7.8 | 0 | 0 | 111 | L178 F197 | L178-Q199 PolarHBondContact N-O 3.28Å; L178-Q199 PolarHBondContact O-N 2.91Å; F197-Q199 HydrophobicContact CE1-CB 3.8Å; F197-Q199 HydrophobicContact CE1-CG 4.45Å; F197-Q199 HydrophobicContact CE2-CB 4.38Å; F197-Q199 HydrophobicContact CE2-CG 4.29Å; F197-Q199 HydrophobicContact CZ-CB 3.73Å; F197-Q199 HydrophobicContact CZ-CG 4.14Å |
| 200 | T | 94.6 | Very high | 88.4 | Confident | 72 Ų | 72 | 78.4 Ų | 78.4 | 44% | 0.442 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 124.4 | 172.9 | -56.9 | 0 | 0 | 0 | 0 | 110.1 | P134 P175 F176 | P134-T200 HydrophobicContact CB-CG2 3.8Å; P175-T200 HydrophobicContact CB-CG2 3.75Å; F176-T200 CarbonylContact O-C 3.12Å; F176-T200 VanDerWaalsContact O-CA 3.28Å; F176-T200 WeakPolarHBondContact O-CA 3.32Å |
| 201 | V | 93.9 | Very high | 88 | Confident | 11 Ų | 11 | 77.9 Ų | 77.9 | 7% | 0.067 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 146 | 177.2 | -59.4 | 0 | 0 | 0 | 0 | 110 | F102 F131 P175 F176 L178 F197 I203 | F102-V201 HydrophobicContact CD2-CB 3.79Å; F102-V201 HydrophobicContact CD2-CG1 4.15Å; F102-V201 HydrophobicContact CD2-CG2 4.26Å; F102-V201 HydrophobicContact CE2-CB 3.78Å; F102-V201 HydrophobicContact CE2-CG1 3.59Å; F102-V201 HydrophobicContact CE2-CG2 4.43Å; F102-V201 HydrophobicContact CG-CB 4.4Å; F102-V201 HydrophobicContact CG-CG2 4.38Å; F102-V201 HydrophobicContact CZ-CB 4.37Å; F102-V201 HydrophobicContact CZ-CG1 3.89Å; F131-V201 HydrophobicContact CE1-CG2 4.26Å; P175-V201 CarbonylContact C-O 3.54Å; P175-V201 WeakPolarHBondContact CA-O 3.29Å; F176-V201 PolarHBondContact N-O 3.05Å; F176-V201 PolarHBondContact O-N 3.06Å; L178-V201 HydrophobicContact CB-CG1 4.2Å; L178-V201 HydrophobicContact CB-CG2 3.73Å; L178-V201 HydrophobicContact CD2-CG1 4.33Å; L178-V201 HydrophobicContact CD2-CG2 4.32Å; F197-V201 HydrophobicContact CE1-CG1 3.87Å; F197-V201 HydrophobicContact CZ-CG1 4.06Å; V201-I203 HydrophobicContact CG2-CD1 4.35Å |
| 202 | T | 94.1 | Very high | 87.6 | Confident | 83 Ų | 83 | 74.9 Ų | 74.9 | 51% | 0.509 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 125.9 | 176 | -56.4 | 0 | 0 | 0 | 0 | 109.2 | ||
| 203 | I | 94.3 | Very high | 87.2 | Confident | 0 Ų | 0 | 80.1 Ų | 80.1 | 0% | 0 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 123.2 | 176.5 | -52.9 | -60.7 | 0 | 0 | 0 | 107.9 | F102 A104 F131 P167 M171 G173 R174 F176 V201 | F102-I203 HydrophobicContact CB-CD1 3.68Å; F102-I203 CarbonylContact O-C 3.52Å; F102-I203 VanDerWaalsContact O-CA 3.26Å; F102-I203 WeakPolarHBondContact O-CA 3.37Å; F102-I203 WeakPolarHBondContact O-CG2 3.31Å; A104-I203 HydrophobicContact CB-CG2 3.79Å; F131-I203 HydrophobicContact CE1-CD1 4.22Å; F131-I203 HydrophobicContact CE2-CD1 4.08Å; F131-I203 HydrophobicContact CZ-CD1 3.52Å; F131-I203 HydrophobicContact CZ-CG1 4.42Å; P167-I203 HydrophobicContact CB-CD1 4.17Å; P167-I203 HydrophobicContact CB-CG2 4.11Å; P167-I203 HydrophobicContact CG-CD1 4.25Å; M171-I203 HydrophobicContact CB-CG1 4.39Å; M171-I203 HydrophobicContact CB-CG2 4.41Å; M171-I203 WeakPolarHBondContact O-CB 3.18Å; G173-I203 WeakPolarHBondContact CA-O 3.4Å; G173-I203 PolarHBondContact N-O 2.93Å; R174-I203 PolarHBondContact O-N 2.9Å; R174-I203 VanDerWaalsContact O-N 3.09Å; F176-I203 HydrophobicContact CD2-CG1 3.62Å; F176-I203 HydrophobicContact CE2-CG1 4.03Å; V201-I203 HydrophobicContact CG2-CD1 4.35Å |
| 204 | T | 92.3 | Very high | 86.8 | Confident | 57 Ų | 57 | 80 Ų | 80 | 35% | 0.35 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 136.8 | 177.2 | 51.6 | 0 | 0 | 0 | 0 | 109.4 | F102 P103 A104 R206 | F102-T204 PolarHBondContact O-N 3.1Å; F102-T204 PolarHBondContact O-OG1 3.4Å; P103-T204 CarbonylContact C-O 3.56Å; P103-T204 WeakPolarHBondContact CA-O 2.87Å; P103-T204 VanDerWaalsContact CA-OG1 3.31Å; P103-T204 WeakPolarHBondContact CA-OG1 3.32Å; A104-T204 WeakPolarHBondContact CB-O 3.45Å; A104-T204 PolarHBondContact N-O 3.23Å; T204-R206 PolarHBondContact O-N 2.9Å |
| 205 | E | 88.8 | Confident | 86.6 | Confident | 132 Ų | 132 | 82.1 Ų | 82.1 | 62% | 0.617 | 45% | 0.454 | S | S | * | . | P | Polyproline II helix | trans | -69.1 | 133.8 | 170.2 | -75.8 | 170 | -165.4 | 0 | 0 | 108.5 | G172 E207 | G172-E205 VanDerWaalsContact CA-CG 3.44Å; E205-E207 PolarHBondContact O-N 3.44Å |
| 206 | R | 77.2 | Confident | 86.5 | Confident | 144 Ų | 144 | 86.3 Ų | 86.3 | 54% | 0.543 | 46% | 0.464 | S | S | . | . | trans | -69 | 114.4 | 165 | -179.4 | 169.5 | 175.9 | 164.2 | -5.7 | 106.3 | D106 T204 D208 | D106-R206 IonicContact OD1-CZ 3.83Å; D106-R206 IonicContact OD1-NH1 3.1Å; D106-R206 PolarHBondContact OD1-NH1 3.44Å; D106-R206 IonicContact OD2-NH1 2.78Å; T204-R206 PolarHBondContact O-N 2.9Å; R206-D208 PolarHBondContact O-N 3.43Å | ||
| 207 | E | 70.8 | Confident | 86.4 | Confident | 182 Ų | 182 | 89.3 Ų | 89.3 | 85% | 0.85 | 48% | 0.477 | S | S | * | . | trans | -64.2 | 95.1 | 166.7 | -66.8 | -179.8 | -174.4 | 0 | 0 | 106.8 | E205 G209 | E205-E207 PolarHBondContact O-N 3.44Å; E207-G209 PolarHBondContact O-N 3.05Å | ||
| 208 | D | 70.1 | Confident | 86.3 | Confident | 122 Ų | 122 | 95.3 Ų | 95.3 | 65% | 0.652 | 50% | 0.5 | S | S | * | . | trans | -60.4 | 98.1 | 160.5 | -99.7 | -6.8 | 0 | 0 | 0 | 105 | R206 L210 | R206-D208 PolarHBondContact O-N 3.43Å; D208-L210 PolarHBondContact O-N 2.86Å | ||
| 209 | G | 66.1 | Low | 86.4 | Confident | 81 Ų | 81 | 95.8 Ų | 95.8 | 84% | 0.835 | 51% | 0.506 | S | S | * | . | S | Bend | trans | -63.5 | 14.9 | -169.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | E207 D211 | E207-G209 PolarHBondContact O-N 3.05Å; G209-D211 PolarHBondContact O-N 3.32Å |
| 210 | L | 73.4 | Confident | 86.4 | Confident | 134 Ų | 134 | 95.9 Ų | 95.9 | 70% | 0.702 | 51% | 0.505 | S | S | * | . | trans | -89.6 | 73.8 | 165.9 | -163.5 | 103.4 | 0 | 0 | 0 | 109.1 | D208 G212 I215 | D208-L210 PolarHBondContact O-N 2.86Å; L210-G212 PolarHBondContact O-N 3.44Å; L210-I215 HydrophobicContact CD1-CD1 3.6Å; L210-I215 HydrophobicContact CD2-CD1 4.16Å; L210-I215 HydrophobicContact CG-CD1 3.5Å; L210-I215 VanDerWaalsContact CG-CD1 3.5Å | ||
| 211 | D | 81.9 | Confident | 86.4 | Confident | 78 Ų | 78 | 97.4 Ų | 97.4 | 42% | 0.417 | 51% | 0.509 | S | S | . | . | trans | -65.6 | 97 | 171.5 | 178.2 | 17.3 | 0 | 0 | 0 | 109.8 | G209 E213 T214 I215 | G209-D211 PolarHBondContact O-N 3.32Å; D211-E213 PolarHBondContact O-N 2.99Å; D211-E213 VanDerWaalsContact OD1-CB 3.27Å; D211-E213 WeakPolarHBondContact OD1-CB 3.27Å; D211-E213 PolarHBondContact OD1-N 3.46Å; D211-T214 PolarHBondContact O-N 3.26Å; D211-T214 VanDerWaalsContact O-N 3.15Å; D211-T214 WeakPolarHBondContact OD2-CB 3.44Å; D211-T214 PolarHBondContact OD2-N 2.98Å; D211-T214 PolarHBondContact OD2-OG1 3.05Å; D211-I215 WeakPolarHBondContact O-CG1 3.39Å; D211-I215 PolarHBondContact O-N 3.15Å | ||
| 212 | G | 86.1 | Confident | 86.4 | Confident | 43 Ų | 43 | 100.5 Ų | 100.5 | 44% | 0.443 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -58.4 | -28.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L210 F216 | L210-G212 PolarHBondContact O-N 3.44Å; G212-F216 WeakPolarHBondContact O-CB 3.13Å; G212-F216 PolarHBondContact O-N 2.94Å |
| 213 | E | 87.2 | Confident | 86.5 | Confident | 154 Ų | 154 | 98.4 Ų | 98.4 | 72% | 0.72 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.8 | -50.9 | 175.2 | -174.5 | 179.5 | 153.5 | 0 | 0 | 110.5 | D211 I215 F216 M217 | D211-E213 PolarHBondContact O-N 2.99Å; D211-E213 VanDerWaalsContact OD1-CB 3.27Å; D211-E213 WeakPolarHBondContact OD1-CB 3.27Å; D211-E213 PolarHBondContact OD1-N 3.46Å; E213-I215 PolarHBondContact O-N 3.22Å; E213-F216 PolarHBondContact O-N 3.24Å; E213-M217 WeakPolarHBondContact O-CB 3.11Å; E213-M217 PolarHBondContact O-N 2.7Å |
| 214 | T | 86.3 | Confident | 86.6 | Confident | 55 Ų | 55 | 102.4 Ų | 102.4 | 34% | 0.337 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -62.3 | -42.6 | 177.5 | -71.6 | 0 | 0 | 0 | 0 | 111.8 | D211 M217 Y218 | D211-T214 PolarHBondContact O-N 3.26Å; D211-T214 VanDerWaalsContact O-N 3.15Å; D211-T214 WeakPolarHBondContact OD2-CB 3.44Å; D211-T214 PolarHBondContact OD2-N 2.98Å; D211-T214 PolarHBondContact OD2-OG1 3.05Å; T214-M217 PolarHBondContact O-N 3.34Å; T214-Y218 HydrophobicContact CG2-CD2 3.72Å; T214-Y218 HydrophobicContact CG2-CE2 3.26Å; T214-Y218 WeakPolarHBondContact O-CD2 3.27Å; T214-Y218 PolarHBondContact O-N 3.29Å |
| 215 | I | 90.6 | Very high | 86.7 | Confident | 77 Ų | 77 | 101.5 Ų | 101.5 | 40% | 0.395 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -63.1 | -47 | 177 | -67.3 | 173.4 | 0 | 0 | 0 | 110.6 | L210 D211 E213 M217 Y218 V219 | L210-I215 HydrophobicContact CD1-CD1 3.6Å; L210-I215 HydrophobicContact CD2-CD1 4.16Å; L210-I215 HydrophobicContact CG-CD1 3.5Å; L210-I215 VanDerWaalsContact CG-CD1 3.5Å; D211-I215 WeakPolarHBondContact O-CG1 3.39Å; D211-I215 PolarHBondContact O-N 3.15Å; E213-I215 PolarHBondContact O-N 3.22Å; I215-M217 VanDerWaalsContact C-N 3.32Å; I215-M217 PolarHBondContact O-N 2.96Å; I215-Y218 PolarHBondContact O-N 3.39Å; I215-V219 HydrophobicContact CG2-CG2 4.47Å; I215-V219 WeakPolarHBondContact O-CG2 3.39Å; I215-V219 PolarHBondContact O-N 3.43Å |
| 216 | F | 92.2 | Very high | 86.9 | Confident | 139 Ų | 139 | 100.8 Ų | 100.8 | 61% | 0.61 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -59.2 | -44.6 | 176.4 | 173.8 | -102.6 | 0 | 0 | 0 | 111.3 | G212 E213 Y218 V219 F220 | G212-F216 WeakPolarHBondContact O-CB 3.13Å; G212-F216 PolarHBondContact O-N 2.94Å; E213-F216 PolarHBondContact O-N 3.24Å; F216-Y218 VanDerWaalsContact C-N 3.33Å; F216-Y218 PolarHBondContact O-N 3.44Å; F216-V219 PolarHBondContact O-N 3.48Å; F216-F220 HydrophobicContact CE1-CB 4.48Å; F216-F220 HydrophobicContact CZ-CB 4.42Å; F216-F220 HydrophobicContact CZ-CD2 4.37Å; F216-F220 WeakPolarHBondContact O-CB 3.17Å; F216-F220 PolarHBondContact O-N 2.82Å |
| 217 | M | 93 | Very high | 87.7 | Confident | 86 Ų | 86 | 99.4 Ų | 99.4 | 42% | 0.424 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -56.7 | -46.8 | 177.4 | -172.7 | -148.8 | 65.7 | 0 | 0 | 110.9 | E213 T214 I215 F220 L221 | E213-M217 WeakPolarHBondContact O-CB 3.11Å; E213-M217 PolarHBondContact O-N 2.7Å; T214-M217 PolarHBondContact O-N 3.34Å; I215-M217 VanDerWaalsContact C-N 3.32Å; I215-M217 PolarHBondContact O-N 2.96Å; M217-F220 PolarHBondContact O-N 3.29Å; M217-L221 VanDerWaalsContact O-CB 3.27Å; M217-L221 WeakPolarHBondContact O-CB 3.39Å; M217-L221 PolarHBondContact O-N 2.98Å |
| 218 | Y | 92.5 | Very high | 88.8 | Confident | 149 Ų | 149 | 94.4 Ų | 94.4 | 58% | 0.584 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -66.6 | -42.9 | 179 | -72.1 | -53.6 | 0 | 0 | 0 | 113.2 | T214 I215 F216 L221 S222 | T214-Y218 HydrophobicContact CG2-CD2 3.72Å; T214-Y218 HydrophobicContact CG2-CE2 3.26Å; T214-Y218 WeakPolarHBondContact O-CD2 3.27Å; T214-Y218 PolarHBondContact O-N 3.29Å; I215-Y218 PolarHBondContact O-N 3.39Å; F216-Y218 VanDerWaalsContact C-N 3.33Å; F216-Y218 PolarHBondContact O-N 3.44Å; Y218-L221 PolarHBondContact O-N 2.95Å; Y218-S222 WeakPolarHBondContact O-CB 3.22Å; Y218-S222 PolarHBondContact O-N 3.44Å |
| 219 | V | 94.6 | Very high | 89.9 | Confident | 93 Ų | 93 | 93.2 Ų | 93.2 | 56% | 0.564 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -62.5 | -46.5 | 176.5 | 173.4 | 0 | 0 | 0 | 0 | 110.3 | I215 F216 L221 S222 G223 | I215-V219 HydrophobicContact CG2-CG2 4.47Å; I215-V219 WeakPolarHBondContact O-CG2 3.39Å; I215-V219 PolarHBondContact O-N 3.43Å; F216-V219 PolarHBondContact O-N 3.48Å; V219-L221 PolarHBondContact O-N 3.48Å; V219-S222 PolarHBondContact O-N 3.38Å; V219-S222 PolarHBondContact O-OG 2.83Å; V219-G223 PolarHBondContact O-N 2.55Å |
| 220 | F | 95.4 | Very high | 91.2 | Very high | 122 Ų | 122 | 92.5 Ų | 92.5 | 54% | 0.535 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.1 | -45.2 | 177.9 | -177.1 | -102.7 | 0 | 0 | 0 | 112.1 | F216 M217 S222 G223 L224 | F216-F220 HydrophobicContact CE1-CB 4.48Å; F216-F220 HydrophobicContact CZ-CB 4.42Å; F216-F220 HydrophobicContact CZ-CD2 4.37Å; F216-F220 WeakPolarHBondContact O-CB 3.17Å; F216-F220 PolarHBondContact O-N 2.82Å; M217-F220 PolarHBondContact O-N 3.29Å; F220-S222 VanDerWaalsContact C-N 3.33Å; F220-S222 PolarHBondContact O-N 3.05Å; F220-G223 PolarHBondContact O-N 3.3Å; F220-L224 WeakPolarHBondContact O-CB 3.45Å; F220-L224 PolarHBondContact O-N 3.38Å |
| 221 | L | 94.4 | Very high | 92 | Very high | 103 Ų | 103 | 87.9 Ų | 87.9 | 54% | 0.539 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65 | -37.9 | 178.7 | -149.8 | 73.2 | 0 | 0 | 0 | 111.7 | M217 Y218 V219 L224 G225 | M217-L221 VanDerWaalsContact O-CB 3.27Å; M217-L221 WeakPolarHBondContact O-CB 3.39Å; M217-L221 PolarHBondContact O-N 2.98Å; Y218-L221 PolarHBondContact O-N 2.95Å; V219-L221 PolarHBondContact O-N 3.48Å; L221-L224 PolarHBondContact O-N 3.34Å; L221-G225 PolarHBondContact O-N 3Å |
| 222 | S | 93.9 | Very high | 92.5 | Very high | 76 Ų | 76 | 88.7 Ų | 88.7 | 53% | 0.531 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.9 | -42.3 | 174.3 | 80.3 | 0 | 0 | 0 | 0 | 112 | Y218 V219 F220 G225 L226 | Y218-S222 WeakPolarHBondContact O-CB 3.22Å; Y218-S222 PolarHBondContact O-N 3.44Å; V219-S222 PolarHBondContact O-N 3.38Å; V219-S222 PolarHBondContact O-OG 2.83Å; F220-S222 VanDerWaalsContact C-N 3.33Å; F220-S222 PolarHBondContact O-N 3.05Å; S222-G225 PolarHBondContact O-N 2.89Å; S222-L226 PolarHBondContact O-N 3.35Å |
| 223 | G | 95.4 | Very high | 92.6 | Very high | 40 Ų | 40 | 91.7 Ų | 91.7 | 41% | 0.412 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.7 | -44 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | V219 F220 L226 L227 | V219-G223 PolarHBondContact O-N 2.55Å; F220-G223 PolarHBondContact O-N 3.3Å; G223-L226 PolarHBondContact O-N 3.31Å; G223-L227 WeakPolarHBondContact O-CB 3.38Å; G223-L227 PolarHBondContact O-N 3.47Å |
| 224 | L | 95.7 | Very high | 92.7 | Very high | 84 Ų | 84 | 90.6 Ų | 90.6 | 44% | 0.44 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.9 | -42.6 | 175.2 | -173.9 | 64.7 | 0 | 0 | 0 | 111.4 | F220 L221 L226 L227 V228 | F220-L224 WeakPolarHBondContact O-CB 3.45Å; F220-L224 PolarHBondContact O-N 3.38Å; L221-L224 PolarHBondContact O-N 3.34Å; L224-L226 VanDerWaalsContact C-N 3.34Å; L224-L226 PolarHBondContact O-N 2.91Å; L224-L227 WeakPolarHBondContact O-CB 3.36Å; L224-L227 PolarHBondContact O-N 2.88Å; L224-V228 WeakPolarHBondContact O-CG2 3.34Å; L224-V228 PolarHBondContact O-N 3.27Å |
| 225 | G | 94.3 | Very high | 92.6 | Very high | 37 Ų | 37 | 92.9 Ų | 92.9 | 38% | 0.381 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -58.6 | -44.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L221 S222 V228 V229 | L221-G225 PolarHBondContact O-N 3Å; S222-G225 PolarHBondContact O-N 2.89Å; G225-V228 PolarHBondContact O-N 3.02Å; G225-V229 WeakPolarHBondContact O-CG2 3.36Å; G225-V229 PolarHBondContact O-N 3.31Å |
| 226 | L | 94.3 | Very high | 92.2 | Very high | 118 Ų | 118 | 94.1 Ų | 94.1 | 62% | 0.618 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -65.2 | -40.8 | 177.5 | -155.4 | 152.1 | 0 | 0 | 0 | 111.3 | S222 G223 L224 V228 V229 V230 | S222-L226 PolarHBondContact O-N 3.35Å; G223-L226 PolarHBondContact O-N 3.31Å; L224-L226 VanDerWaalsContact C-N 3.34Å; L224-L226 PolarHBondContact O-N 2.91Å; L226-V228 PolarHBondContact O-N 3.49Å; L226-V229 PolarHBondContact O-N 2.9Å; L226-V230 HydrophobicContact CD2-CG2 3.88Å; L226-V230 WeakPolarHBondContact O-CG2 3.49Å; L226-V230 PolarHBondContact O-N 3.45Å |
| 227 | L | 94 | Very high | 91.4 | Very high | 115 Ų | 115 | 92.5 Ų | 92.5 | 60% | 0.602 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -60.5 | -45.2 | 174.4 | -163.9 | 167.6 | 0 | 0 | 0 | 111.1 | G223 L224 V229 V230 G231 | G223-L227 WeakPolarHBondContact O-CB 3.38Å; G223-L227 PolarHBondContact O-N 3.47Å; L224-L227 WeakPolarHBondContact O-CB 3.36Å; L224-L227 PolarHBondContact O-N 2.88Å; L227-V229 PolarHBondContact O-N 2.74Å; L227-V230 PolarHBondContact O-N 3.29Å; L227-G231 PolarHBondContact O-N 3.45Å |
| 228 | V | 94.1 | Very high | 90.2 | Very high | 76 Ų | 76 | 91.6 Ų | 91.6 | 46% | 0.461 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.7 | -44.1 | 176.4 | 171.8 | 0 | 0 | 0 | 0 | 111.1 | L224 G225 L226 G231 L232 | L224-V228 WeakPolarHBondContact O-CG2 3.34Å; L224-V228 PolarHBondContact O-N 3.27Å; G225-V228 PolarHBondContact O-N 3.02Å; L226-V228 PolarHBondContact O-N 3.49Å; V228-G231 PolarHBondContact O-N 2.91Å; V228-L232 HydrophobicContact CG1-CD1 3.9Å; V228-L232 HydrophobicContact CG1-CG 4.33Å; V228-L232 WeakPolarHBondContact O-CB 3.42Å; V228-L232 VanDerWaalsContact O-CG 3.25Å; V228-L232 WeakPolarHBondContact O-CG 3.25Å; V228-L232 PolarHBondContact O-N 3.49Å |
| 229 | V | 93.1 | Very high | 88.9 | Confident | 98 Ų | 98 | 93.7 Ų | 93.7 | 59% | 0.594 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.3 | -45.4 | 177.4 | 172.7 | 0 | 0 | 0 | 0 | 111.3 | G225 L226 L227 L232 H233 | G225-V229 WeakPolarHBondContact O-CG2 3.36Å; G225-V229 PolarHBondContact O-N 3.31Å; L226-V229 PolarHBondContact O-N 2.9Å; L227-V229 PolarHBondContact O-N 2.74Å; V229-L232 PolarHBondContact O-N 3.26Å; V229-H233 WeakPolarHBondContact O-CB 3.43Å; V229-H233 PolarHBondContact O-N 2.93Å |
| 230 | V | 92.3 | Very high | 87.2 | Confident | 66 Ų | 66 | 97.2 Ų | 97.2 | 40% | 0.4 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.9 | -41.5 | 177.1 | 172.4 | 0 | 0 | 0 | 0 | 111.2 | L226 L227 H233 Q234 | L226-V230 HydrophobicContact CD2-CG2 3.88Å; L226-V230 WeakPolarHBondContact O-CG2 3.49Å; L226-V230 PolarHBondContact O-N 3.45Å; L227-V230 PolarHBondContact O-N 3.29Å; V230-H233 WeakPolarHBondContact O-CB 3.49Å; V230-H233 PolarHBondContact O-N 2.91Å; V230-Q234 HydrophobicContact CG1-CG 4.47Å; V230-Q234 WeakPolarHBondContact O-CG 3.49Å; V230-Q234 PolarHBondContact O-N 3.34Å |
| 231 | G | 91 | Very high | 85.5 | Confident | 36 Ų | 36 | 102.3 Ų | 102.3 | 37% | 0.371 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61.9 | -44.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L227 V228 Q234 L235 | L227-G231 PolarHBondContact O-N 3.45Å; V228-G231 PolarHBondContact O-N 2.91Å; G231-Q234 PolarHBondContact O-N 2.93Å; G231-L235 WeakPolarHBondContact O-CB 3.46Å; G231-L235 PolarHBondContact O-N 2.85Å |
| 232 | L | 91.6 | Very high | 83.7 | Confident | 96 Ų | 96 | 107.9 Ų | 107.9 | 50% | 0.503 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -64 | -41.2 | 173 | -72.4 | 172.5 | 0 | 0 | 0 | 111.6 | V228 V229 L235 L236 | V228-L232 HydrophobicContact CG1-CD1 3.9Å; V228-L232 HydrophobicContact CG1-CG 4.33Å; V228-L232 WeakPolarHBondContact O-CB 3.42Å; V228-L232 VanDerWaalsContact O-CG 3.25Å; V228-L232 WeakPolarHBondContact O-CG 3.25Å; V228-L232 PolarHBondContact O-N 3.49Å; V229-L232 PolarHBondContact O-N 3.26Å; L232-L235 PolarHBondContact O-N 3.25Å; L232-L236 WeakPolarHBondContact O-CB 3.44Å; L232-L236 VanDerWaalsContact O-CG 3.24Å; L232-L236 WeakPolarHBondContact O-CG 3.28Å; L232-L236 PolarHBondContact O-N 2.86Å |
| 233 | H | 89.6 | Confident | 82.1 | Confident | 106 Ų | 106 | 114.8 Ų | 114.8 | 49% | 0.491 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -60.3 | -49.5 | 176 | -170.4 | -92.6 | 0 | 0 | 0 | 111.5 | V229 V230 L235 L236 E237 | V229-H233 WeakPolarHBondContact O-CB 3.43Å; V229-H233 PolarHBondContact O-N 2.93Å; V230-H233 WeakPolarHBondContact O-CB 3.49Å; V230-H233 PolarHBondContact O-N 2.91Å; H233-L235 VanDerWaalsContact C-N 3.33Å; H233-L235 PolarHBondContact O-N 3.23Å; H233-L236 PolarHBondContact O-N 3.4Å; H233-E237 IonicContact CE1-OE1 3Å; H233-E237 PolarHBondContact CE1-OE1 3.36Å; H233-E237 IonicContact CE1-OE2 3.38Å; H233-E237 PolarHBondContact CE1-OE2 3.39Å; H233-E237 IonicContact ND1-OE1 3.76Å; H233-E237 IonicContact ND1-OE2 3.34Å; H233-E237 PolarHBondContact ND1-OE2 2.9Å; H233-E237 IonicContact NE2-OE1 3.72Å; H233-E237 WeakPolarHBondContact O-CB 3.49Å; H233-E237 WeakPolarHBondContact O-CG 3.24Å; H233-E237 PolarHBondContact O-N 2.85Å |
| 234 | Q | 88.2 | Confident | 80.5 | Confident | 131 Ų | 131 | 118.8 Ų | 118.8 | 61% | 0.612 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -62.6 | -37.6 | 176.9 | -72.3 | -150.6 | 55 | 0 | 0 | 112.6 | V230 G231 S238 | V230-Q234 HydrophobicContact CG1-CG 4.47Å; V230-Q234 WeakPolarHBondContact O-CG 3.49Å; V230-Q234 PolarHBondContact O-N 3.34Å; G231-Q234 PolarHBondContact O-N 2.93Å; Q234-S238 VanDerWaalsContact O-CB 3.28Å; Q234-S238 WeakPolarHBondContact O-CB 3.36Å; Q234-S238 PolarHBondContact O-N 3.4Å; Q234-S238 PolarHBondContact O-OG 3.46Å |
| 235 | L | 84.4 | Confident | 78.9 | Confident | 102 Ų | 102 | 119.2 Ų | 119.2 | 53% | 0.534 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -67.5 | -39.4 | 176.4 | -173.7 | 63.6 | 0 | 0 | 0 | 112.3 | G231 L232 H233 S238 R239 | G231-L235 WeakPolarHBondContact O-CB 3.46Å; G231-L235 PolarHBondContact O-N 2.85Å; L232-L235 PolarHBondContact O-N 3.25Å; H233-L235 VanDerWaalsContact C-N 3.33Å; H233-L235 PolarHBondContact O-N 3.23Å; L235-S238 WeakPolarHBondContact CA-OG 3.34Å; L235-S238 PolarHBondContact O-OG 2.92Å; L235-R239 PolarHBondContact O-N 3.3Å |
| 236 | L | 82.6 | Confident | 77.4 | Confident | 104 Ų | 104 | 121.7 Ų | 121.7 | 55% | 0.545 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -70.9 | -39.1 | 176.9 | -70.8 | 171 | 0 | 0 | 0 | 112 | L232 H233 R239 K240 | L232-L236 WeakPolarHBondContact O-CB 3.44Å; L232-L236 VanDerWaalsContact O-CG 3.24Å; L232-L236 WeakPolarHBondContact O-CG 3.28Å; L232-L236 PolarHBondContact O-N 2.86Å; H233-L236 PolarHBondContact O-N 3.4Å; L236-R239 PolarHBondContact O-N 3.41Å; L236-K240 WeakPolarHBondContact O-CG 3.41Å; L236-K240 PolarHBondContact O-N 3.2Å |
| 237 | E | 75.8 | Confident | 76.1 | Confident | 105 Ų | 105 | 125.7 Ų | 125.7 | 49% | 0.491 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -67.9 | -42.3 | 175.7 | -74.8 | -171.2 | 144.2 | 0 | 0 | 112.5 | H233 R239 K240 R241 | H233-E237 IonicContact CE1-OE1 3Å; H233-E237 PolarHBondContact CE1-OE1 3.36Å; H233-E237 IonicContact CE1-OE2 3.38Å; H233-E237 PolarHBondContact CE1-OE2 3.39Å; H233-E237 IonicContact ND1-OE1 3.76Å; H233-E237 IonicContact ND1-OE2 3.34Å; H233-E237 PolarHBondContact ND1-OE2 2.9Å; H233-E237 IonicContact NE2-OE1 3.72Å; H233-E237 WeakPolarHBondContact O-CB 3.49Å; H233-E237 WeakPolarHBondContact O-CG 3.24Å; H233-E237 PolarHBondContact O-N 2.85Å; E237-R239 VanDerWaalsContact C-N 3.27Å; E237-R239 PolarHBondContact O-N 3.14Å; E237-K240 PolarHBondContact O-N 3.35Å; E237-K240 VanDerWaalsContact O-N 3.14Å; E237-R241 PolarHBondContact O-N 3.45Å |
| 238 | S | 67.9 | Low | 74.9 | Confident | 66 Ų | 66 | 126.2 Ų | 126.2 | 46% | 0.462 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -63.3 | -32.6 | 175.7 | 60.3 | 0 | 0 | 0 | 0 | 112.5 | Q234 L235 | Q234-S238 VanDerWaalsContact O-CB 3.28Å; Q234-S238 WeakPolarHBondContact O-CB 3.36Å; Q234-S238 PolarHBondContact O-N 3.4Å; Q234-S238 PolarHBondContact O-OG 3.46Å; L235-S238 WeakPolarHBondContact CA-OG 3.34Å; L235-S238 PolarHBondContact O-OG 2.92Å |
| 239 | R | 64.3 | Low | 73.9 | Confident | 194 Ų | 194 | 131.4 Ų | 131.4 | 73% | 0.732 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -68 | -37.1 | 171.8 | -98.8 | -177.8 | 175.1 | 179.2 | -0 | 113.5 | L235 L236 E237 R241 R242 | L235-R239 PolarHBondContact O-N 3.3Å; L236-R239 PolarHBondContact O-N 3.41Å; E237-R239 VanDerWaalsContact C-N 3.27Å; E237-R239 PolarHBondContact O-N 3.14Å; R239-R241 PolarHBondContact O-N 3.18Å; R239-R242 PolarHBondContact O-N 2.91Å |
| 240 | K | 59.7 | Low | 72.3 | Confident | 166 Ų | 166 | 134.9 Ų | 134.9 | 72% | 0.722 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -67.1 | -22 | 179.4 | -74.4 | 176.6 | -176 | 175.9 | 0 | 113.2 | L236 E237 R242 | L236-K240 WeakPolarHBondContact O-CG 3.41Å; L236-K240 PolarHBondContact O-N 3.2Å; E237-K240 PolarHBondContact O-N 3.35Å; E237-K240 VanDerWaalsContact O-N 3.14Å; K240-R242 VanDerWaalsContact C-N 3.28Å; K240-R242 PolarHBondContact O-N 2.92Å |
| 241 | R | 58.3 | Low | 70.9 | Confident | 230 Ų | 230 | 134.5 Ų | 134.5 | 87% | 0.868 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.2 | -5.3 | -179.2 | -138.2 | 175.5 | -178.7 | -172 | 0.5 | 114.5 | E237 R239 R243 | E237-R241 PolarHBondContact O-N 3.45Å; R239-R241 PolarHBondContact O-N 3.18Å; R241-R243 PolarHBondContact O-N 3.02Å |
| 242 | R | 57.6 | Low | 69.4 | Low | 219 Ų | 219 | 139.6 Ų | 139.6 | 83% | 0.826 | 70% | 0.702 | S | S | * | * | trans | -94.2 | 39.3 | 176.8 | -63.4 | -164.8 | 178.5 | -161.5 | 0.8 | 113.7 | R239 K240 | R239-R242 PolarHBondContact O-N 2.91Å; K240-R242 VanDerWaalsContact C-N 3.28Å; K240-R242 PolarHBondContact O-N 2.92Å | ||
| 243 | R | 59.8 | Low | 67.7 | Low | 222 Ų | 222 | 140.1 Ų | 140.1 | 84% | 0.838 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 121.3 | 162.7 | -69.2 | -173.8 | 178.5 | -170.1 | -1.3 | 107.6 | R241 A245 | R241-R243 PolarHBondContact O-N 3.02Å; R243-A245 PolarHBondContact O-N 3.21Å |
| 244 | P | 62.1 | Low | 66.1 | Low | 124 Ų | 124 | 139 Ų | 139 | 81% | 0.805 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 133.6 | 174 | 24.4 | -31.3 | 0 | 0 | 0 | 108.3 | A246 | P244-A246 PolarHBondContact O-N 2.87Š|
| 245 | A | 62.3 | Low | 64.7 | Low | 92 Ų | 92 | 138.9 Ų | 138.9 | 76% | 0.76 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 126.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | R243 K247 | R243-A245 PolarHBondContact O-N 3.21Å; A245-K247 PolarHBondContact O-N 3.09Å; A245-K247 VanDerWaalsContact O-N 3.09Å |
| 246 | A | 63.5 | Low | 63.5 | Low | 89 Ų | 89 | 141.5 Ų | 141.5 | 74% | 0.736 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 122.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 107.5 | P244 V248 | P244-A246 PolarHBondContact O-N 2.87Å; A246-V248 PolarHBondContact O-N 3.18Å |
| 247 | K | 65.3 | Low | 62.4 | Low | 203 Ų | 203 | 143.9 Ų | 143.9 | 88% | 0.883 | 75% | 0.745 | S | S | * | * | trans | -59.2 | 106.1 | 176.9 | -78.7 | -179.8 | 176.2 | -175.2 | 0 | 107 | A245 E249 | A245-K247 PolarHBondContact O-N 3.09Å; A245-K247 VanDerWaalsContact O-N 3.09Å; K247-E249 PolarHBondContact O-N 3.34Å | ||
| 248 | V | 69.8 | Low | 62.1 | Low | 125 Ų | 125 | 142.8 Ų | 142.8 | 76% | 0.758 | 75% | 0.745 | S | S | * | * | trans | -68.7 | 113.2 | 170.2 | 177.5 | 0 | 0 | 0 | 0 | 105.6 | A246 M250 | A246-V248 PolarHBondContact O-N 3.18Å; V248-M250 VanDerWaalsContact C-N 3.32Å; V248-M250 PolarHBondContact O-N 2.88Å | ||
| 249 | E | 73.3 | Confident | 62.2 | Low | 186 Ų | 186 | 145.1 Ų | 145.1 | 87% | 0.869 | 75% | 0.752 | S | S | * | * | trans | -64.6 | 94.3 | 175.4 | -64.1 | -176 | 172 | 0 | 0 | 108.6 | K247 G251 | K247-E249 PolarHBondContact O-N 3.34Å; E249-G251 VanDerWaalsContact C-N 3.3Å; E249-G251 PolarHBondContact O-N 3.44Å | ||
| 250 | M | 59.4 | Low | 62.6 | Low | 170 Ų | 170 | 139.1 Ų | 139.1 | 84% | 0.837 | 73% | 0.734 | S | S | * | * | trans | -69.3 | 94.4 | 163 | -72.6 | -85.6 | -134.7 | 0 | 0 | 106.8 | V248 T252 | V248-M250 VanDerWaalsContact C-N 3.32Å; V248-M250 PolarHBondContact O-N 2.88Å; M250-T252 PolarHBondContact O-N 3.07Å | ||
| 251 | G | 61.6 | Low | 63.4 | Low | 58 Ų | 58 | 135.7 Ų | 135.7 | 60% | 0.598 | 73% | 0.73 | S | S | * | * | trans | -55.3 | 132 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113 | E249 S253 | E249-G251 VanDerWaalsContact C-N 3.3Å; E249-G251 PolarHBondContact O-N 3.44Å; G251-S253 VanDerWaalsContact C-N 3.35Å; G251-S253 PolarHBondContact O-N 2.89Å | ||
| 252 | T | 61.3 | Low | 64.3 | Low | 144 Ų | 144 | 134.4 Ų | 134.4 | 88% | 0.883 | 73% | 0.726 | S | S | * | * | S | Bend | trans | 29.1 | 47.1 | 155.2 | 64.8 | 0 | 0 | 0 | 0 | 119.1 | M250 | M250-T252 PolarHBondContact O-N 3.07Š|
| 253 | S | 55.3 | Low | 65.4 | Low | 106 Ų | 106 | 125.8 Ų | 125.8 | 74% | 0.741 | 70% | 0.696 | S | S | * | * | trans | -97.4 | 12.7 | 170.9 | 72.6 | 0 | 0 | 0 | 0 | 113.9 | G251 H255 | G251-S253 VanDerWaalsContact C-N 3.35Å; G251-S253 PolarHBondContact O-N 2.89Å; S253-H255 PolarHBondContact O-N 3.46Å | ||
| 254 | S | 56.3 | Low | 66.5 | Low | 82 Ų | 82 | 119.6 Ų | 119.6 | 57% | 0.573 | 68% | 0.684 | S | S | * | * | trans | -94.7 | 90.2 | 171.2 | -171.4 | 0 | 0 | 0 | 0 | 109.5 | N256 | S254-N256 PolarHBondContact O-N 3.49Š| ||
| 255 | H | 58.1 | Low | 67.2 | Low | 130 Ų | 130 | 121.4 Ų | 121.4 | 60% | 0.602 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.8 | 6.2 | 175.2 | -107.7 | 63.7 | 0 | 0 | 0 | 113.5 | S253 | S253-H255 PolarHBondContact O-N 3.46Š|
| 256 | N | 59.7 | Low | 68 | Low | 157 Ų | 157 | 124.8 Ų | 124.8 | 84% | 0.84 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.1 | -6.6 | -169.4 | -136 | 32.4 | 0 | 0 | 0 | 114 | S254 | S254-N256 PolarHBondContact O-N 3.49Š|
| 257 | D | 59.9 | Low | 68.8 | Low | 154 Ų | 154 | 123.4 Ų | 123.4 | 82% | 0.824 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -113 | 14 | -176.6 | -110.4 | -3.3 | 0 | 0 | 0 | 113 | ||
| 258 | V | 68 | Low | 69.5 | Low | 82 Ų | 82 | 115.6 Ų | 115.6 | 50% | 0.497 | 63% | 0.632 | S | S | . | * | trans | -96.1 | 115.3 | 177.4 | -172.8 | 0 | 0 | 0 | 0 | 107.8 | M260 | V258-M260 HydrophobicContact CB-CE 3.67Å; V258-M260 HydrophobicContact CG1-CE 3.78Å; V258-M260 WeakPolarHBondContact O-CE 3.29Å; V258-M260 PolarHBondContact O-N 3.29Å | ||
| 259 | D | 70.6 | Confident | 69.9 | Low | 114 Ų | 114 | 113.8 Ų | 113.8 | 61% | 0.61 | 62% | 0.618 | S | S | * | * | trans | -71.3 | 122.9 | 175.7 | -174.5 | 5.8 | 0 | 0 | 0 | 110.6 | S261 | D259-S261 VanDerWaalsContact OD1-CB 3.22Å; D259-S261 WeakPolarHBondContact OD1-CB 3.48Å; D259-S261 PolarHBondContact OD1-N 3.4Å; D259-S261 PolarHBondContact OD1-OG 3.44Å; D259-S261 VanDerWaalsContact OD1-OG 3.09Å; D259-S261 PolarHBondContact OD2-OG 3.43Å | ||
| 260 | M | 73.2 | Confident | 70.2 | Confident | 69 Ų | 69 | 111.2 Ų | 111.2 | 34% | 0.34 | 61% | 0.606 | S | S | . | * | trans | -95.5 | 9.8 | 179 | -78.7 | 95 | -157.1 | 0 | 0 | 113.8 | V258 W262 I263 L268 | V258-M260 HydrophobicContact CB-CE 3.67Å; V258-M260 HydrophobicContact CG1-CE 3.78Å; V258-M260 WeakPolarHBondContact O-CE 3.29Å; V258-M260 PolarHBondContact O-N 3.29Å; M260-W262 PolarHBondContact O-N 3.2Å; M260-W262 VanDerWaalsContact O-N 3.15Å; M260-I263 HydrophobicContact CG-CD1 4.23Å; M260-I263 PolarHBondContact O-N 3.43Å; M260-L268 HydrophobicContact CB-CD1 3.56Å; M260-L268 HydrophobicContact CG-CD1 4.2Å | ||
| 261 | S | 75.7 | Confident | 71.2 | Confident | 93 Ų | 93 | 106.5 Ų | 106.5 | 65% | 0.65 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.7 | -19.6 | -178.7 | 62.9 | 0 | 0 | 0 | 0 | 115.2 | D259 | D259-S261 VanDerWaalsContact OD1-CB 3.22Å; D259-S261 WeakPolarHBondContact OD1-CB 3.48Å; D259-S261 PolarHBondContact OD1-N 3.4Å; D259-S261 PolarHBondContact OD1-OG 3.44Å; D259-S261 VanDerWaalsContact OD1-OG 3.09Å; D259-S261 PolarHBondContact OD2-OG 3.43Å |
| 262 | W | 78.4 | Confident | 71.7 | Confident | 203 Ų | 203 | 109.1 Ų | 109.1 | 77% | 0.769 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.7 | -10.6 | 179.8 | 73.5 | -87.1 | 0 | 0 | 0 | 114.3 | M260 | M260-W262 PolarHBondContact O-N 3.2Å; M260-W262 VanDerWaalsContact O-N 3.15Å |
| 263 | I | 80.9 | Confident | 72.3 | Confident | 39 Ų | 39 | 108 Ų | 108 | 20% | 0.2 | 57% | 0.567 | C | S | . | * | S | Bend | trans | -94.4 | 130.5 | -176.9 | -58.3 | 172.5 | 0 | 0 | 0 | 109 | M260 Q265 T267 | M260-I263 HydrophobicContact CG-CD1 4.23Å; M260-I263 PolarHBondContact O-N 3.43Å; I263-Q265 PolarHBondContact O-N 2.95Å; I263-T267 WeakPolarHBondContact CG2-OG1 3.17Å |
| 264 | P | 81.8 | Confident | 73.1 | Confident | 92 Ų | 92 | 106.3 Ų | 106.3 | 60% | 0.597 | 56% | 0.555 | S | S | * | * | trans | -54 | 133.6 | 175.1 | -25.8 | 34.1 | 0 | 0 | 0 | 111.9 | E266 T267 L268 | P264-E266 PolarHBondContact O-N 2.85Å; P264-T267 PolarHBondContact O-N 3.49Å; P264-T267 PolarHBondContact O-OG1 3.18Å; P264-L268 PolarHBondContact O-N 3.39Å | ||
| 265 | Q | 76.8 | Confident | 73.6 | Confident | 162 Ų | 162 | 109.5 Ų | 109.5 | 76% | 0.757 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -56.5 | -28.7 | -172 | -65.7 | -161.5 | -21.9 | 0 | 0 | 114.1 | I263 T267 L268 N269 | I263-Q265 PolarHBondContact O-N 2.95Å; Q265-T267 PolarHBondContact O-N 3.35Å; Q265-L268 PolarHBondContact O-N 3.3Å; Q265-N269 PolarHBondContact O-N 3.25Å; Q265-N269 VanDerWaalsContact O-N 3.13Å; Q265-N269 PolarHBondContact O-ND2 3.08Å |
| 266 | E | 78.9 | Confident | 73.8 | Confident | 163 Ų | 163 | 112.8 Ų | 112.8 | 76% | 0.762 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -64.1 | -37.5 | 177 | -149.6 | 174.2 | -163.7 | 0 | 0 | 112.6 | P264 | P264-E266 PolarHBondContact O-N 2.85Å |
| 267 | T | 80.6 | Confident | 73.7 | Confident | 59 Ų | 59 | 112.1 Ų | 112.1 | 36% | 0.362 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -79.3 | -33.2 | 176.4 | 38.7 | 0 | 0 | 0 | 0 | 112.3 | I263 P264 Q265 N269 Q270 I271 | I263-T267 WeakPolarHBondContact CG2-OG1 3.17Å; P264-T267 PolarHBondContact O-N 3.49Å; P264-T267 PolarHBondContact O-OG1 3.18Å; Q265-T267 PolarHBondContact O-N 3.35Å; T267-N269 VanDerWaalsContact C-N 3.32Å; T267-N269 PolarHBondContact O-N 2.8Å; T267-Q270 PolarHBondContact O-N 3.44Å; T267-I271 VanDerWaalsContact O-CG1 3.29Å; T267-I271 WeakPolarHBondContact O-CG1 3.43Å; T267-I271 PolarHBondContact O-N 3.35Å |
| 268 | L | 80.6 | Confident | 73.5 | Confident | 40 Ų | 40 | 113.4 Ų | 113.4 | 21% | 0.209 | 56% | 0.556 | C | S | . | * | H | α-helix | trans | -60.7 | -42.7 | 175.3 | -171 | 121 | 0 | 0 | 0 | 111.8 | M260 P264 Q265 I271 M272 | M260-L268 HydrophobicContact CB-CD1 3.56Å; M260-L268 HydrophobicContact CG-CD1 4.2Å; P264-L268 PolarHBondContact O-N 3.39Å; Q265-L268 PolarHBondContact O-N 3.3Å; L268-I271 PolarHBondContact O-N 3.44Å; L268-M272 HydrophobicContact CD2-CE 3.86Å; L268-M272 HydrophobicContact CD2-SD 4.12Å; L268-M272 HydrophobicContact CG-CE 4.47Å; L268-M272 PolarHBondContact O-N 3.41Å |
| 269 | N | 78.1 | Confident | 72.8 | Confident | 87 Ų | 87 | 114.1 Ų | 114.1 | 47% | 0.465 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -65 | -40.3 | 179 | -70.6 | -22.9 | 0 | 0 | 0 | 112.3 | Q265 T267 M272 Q273 | Q265-N269 PolarHBondContact O-N 3.25Å; Q265-N269 VanDerWaalsContact O-N 3.13Å; Q265-N269 PolarHBondContact O-ND2 3.08Å; T267-N269 VanDerWaalsContact C-N 3.32Å; T267-N269 PolarHBondContact O-N 2.8Å; N269-M272 PolarHBondContact O-N 3.36Å; N269-Q273 PolarHBondContact O-N 3Å; N269-Q273 PolarHBondContact O-OE1 2.93Å |
| 270 | Q | 78.7 | Confident | 71.6 | Confident | 131 Ų | 131 | 114 Ų | 114 | 61% | 0.612 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -62.8 | -42.4 | 173.1 | -78.1 | -177.8 | 1.7 | 0 | 0 | 112.4 | T267 Q273 S274 | T267-Q270 PolarHBondContact O-N 3.44Å; Q270-Q273 PolarHBondContact O-N 3.03Å; Q270-S274 WeakPolarHBondContact O-CB 3.22Å; Q270-S274 PolarHBondContact O-N 3.27Å; Q270-S274 PolarHBondContact O-OG 3.48Å |
| 271 | I | 80.4 | Confident | 70.6 | Confident | 71 Ų | 71 | 115.7 Ų | 115.7 | 36% | 0.364 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -64.1 | -44.3 | 178.3 | -67.2 | 164.3 | 0 | 0 | 0 | 110.3 | T267 L268 Q273 S274 R275 | T267-I271 VanDerWaalsContact O-CG1 3.29Å; T267-I271 WeakPolarHBondContact O-CG1 3.43Å; T267-I271 PolarHBondContact O-N 3.35Å; L268-I271 PolarHBondContact O-N 3.44Å; I271-Q273 PolarHBondContact O-N 3.13Å; I271-S274 PolarHBondContact O-N 3.39Å; I271-S274 PolarHBondContact O-OG 3.37Å; I271-R275 PolarHBondContact O-N 2.94Å; I271-R275 VanDerWaalsContact O-N 3.08Å |
| 272 | M | 73 | Confident | 69.4 | Low | 114 Ų | 114 | 123 Ų | 123 | 56% | 0.562 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -63 | -40.8 | 177.4 | -76.9 | -169.5 | 174.2 | 0 | 0 | 112.6 | L268 N269 R276 | L268-M272 HydrophobicContact CD2-CE 3.86Å; L268-M272 HydrophobicContact CD2-SD 4.12Å; L268-M272 HydrophobicContact CG-CE 4.47Å; L268-M272 PolarHBondContact O-N 3.41Å; N269-M272 PolarHBondContact O-N 3.36Å; M272-R276 PolarHBondContact O-N 3Å |
| 273 | Q | 73.3 | Confident | 67.5 | Low | 121 Ų | 121 | 125.3 Ų | 125.3 | 57% | 0.565 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -63.6 | -46.3 | 175 | -84.3 | 158.4 | -17.9 | 0 | 0 | 111.4 | N269 Q270 I271 R275 R276 D277 | N269-Q273 PolarHBondContact O-N 3Å; N269-Q273 PolarHBondContact O-OE1 2.93Å; Q270-Q273 PolarHBondContact O-N 3.03Å; I271-Q273 PolarHBondContact O-N 3.13Å; Q273-R275 VanDerWaalsContact C-N 3.32Å; Q273-R275 PolarHBondContact O-N 3.22Å; Q273-R276 PolarHBondContact O-N 3.15Å; Q273-D277 PolarHBondContact O-N 3.25Å |
| 274 | S | 71.3 | Confident | 65.9 | Low | 70 Ų | 70 | 128.2 Ų | 128.2 | 49% | 0.49 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -64.5 | -30.4 | 179.8 | 73.3 | 0 | 0 | 0 | 0 | 114.7 | Q270 I271 | Q270-S274 WeakPolarHBondContact O-CB 3.22Å; Q270-S274 PolarHBondContact O-N 3.27Å; Q270-S274 PolarHBondContact O-OG 3.48Å; I271-S274 PolarHBondContact O-N 3.39Å; I271-S274 PolarHBondContact O-OG 3.37Å |
| 275 | R | 67.6 | Low | 64.5 | Low | 148 Ų | 148 | 130.1 Ų | 130.1 | 56% | 0.558 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -75.5 | -33 | 176 | -73.7 | -170.8 | -166.6 | -168.7 | 4.5 | 112.5 | I271 Q273 D277 K278 | I271-R275 PolarHBondContact O-N 2.94Å; I271-R275 VanDerWaalsContact O-N 3.08Å; Q273-R275 VanDerWaalsContact C-N 3.32Å; Q273-R275 PolarHBondContact O-N 3.22Å; R275-D277 VanDerWaalsContact C-N 3.26Å; R275-D277 PolarHBondContact O-N 2.95Å; R275-K278 PolarHBondContact O-N 3.31Å |
| 276 | R | 62.5 | Low | 62.9 | Low | 200 Ų | 200 | 134.4 Ų | 134.4 | 76% | 0.755 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -65 | -34.1 | 179.6 | -172.5 | 170.7 | -73.9 | 158.9 | -1.6 | 111.5 | M272 Q273 K278 | M272-R276 PolarHBondContact O-N 3Å; Q273-R276 PolarHBondContact O-N 3.15Å; R276-K278 VanDerWaalsContact C-N 3.29Å; R276-K278 PolarHBondContact O-N 2.78Å |
| 277 | D | 56.8 | Low | 61.2 | Low | 143 Ų | 143 | 136 Ų | 136 | 77% | 0.765 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.4 | -3.9 | -179.3 | -61.2 | -30.1 | 0 | 0 | 0 | 114 | Q273 R275 | Q273-D277 PolarHBondContact O-N 3.25Å; R275-D277 VanDerWaalsContact C-N 3.26Å; R275-D277 PolarHBondContact O-N 2.95Å |
| 278 | K | 55.8 | Low | 59.5 | Low | 180 Ų | 180 | 143.5 Ų | 143.5 | 78% | 0.783 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.2 | 8.8 | -174.4 | -149.6 | 115.7 | -177.4 | -169.9 | 0 | 115.1 | R275 R276 S280 | R275-K278 PolarHBondContact O-N 3.31Å; R276-K278 VanDerWaalsContact C-N 3.29Å; R276-K278 PolarHBondContact O-N 2.78Å; K278-S280 PolarHBondContact O-N 3.09Å |
| 279 | A | 53.6 | Low | 57.7 | Low | 97 Ų | 97 | 148 Ų | 148 | 80% | 0.802 | 72% | 0.718 | S | S | * | * | trans | -81.5 | 85 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 280 | S | 45.6 | Very low | 56.2 | Low | 112 Ų | 112 | 151.4 Ų | 151.4 | 78% | 0.783 | 73% | 0.73 | S | S | * | * | trans | -107.5 | 151.6 | 172.1 | 173.4 | 0 | 0 | 0 | 0 | 110.6 | K278 | K278-S280 PolarHBondContact O-N 3.09Š| ||
| 281 | P | 51.9 | Low | 54.5 | Low | 104 Ų | 104 | 155.2 Ų | 155.2 | 68% | 0.675 | 75% | 0.745 | S | S | * | * | trans | -101.1 | 158.4 | -136.3 | 37.3 | -33.8 | 0 | 0 | 0 | 116.1 | ||||
| 282 | R | 49.8 | Very low | 52.7 | Low | 246 Ų | 246 | 163.5 Ų | 163.5 | 93% | 0.928 | 77% | 0.772 | S | S | * | * | trans | 41.4 | 109.4 | 148.8 | -68.4 | 171.5 | 86.6 | 176.9 | 5.2 | 118.1 | ||||
| 283 | R | 39.7 | Very low | 51.2 | Low | 252 Ų | 252 | 163.6 Ų | 163.6 | 95% | 0.951 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -93.1 | 117.6 | 160.3 | -162.6 | 173.6 | -179 | -173.5 | 0.7 | 110.1 | ||
| 284 | S | 46.8 | Very low | 49.7 | Very low | 101 Ų | 101 | 162.7 Ų | 162.7 | 71% | 0.706 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 157.7 | 179.7 | 54.4 | 0 | 0 | 0 | 0 | 113.7 | ||
| 285 | P | 53.4 | Low | 48.1 | Very low | 131 Ų | 131 | 163.1 Ų | 163.1 | 85% | 0.851 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 134.8 | -177.1 | 8 | 9.3 | 0 | 0 | 0 | 112.2 | ||
| 286 | R | 43.4 | Very low | 46.7 | Very low | 252 Ų | 252 | 161.9 Ų | 161.9 | 95% | 0.951 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 126.9 | -179.9 | -173.8 | 172.7 | 171.5 | 145 | -3.6 | 111 | ||
| 287 | K | 42.9 | Very low | 45.7 | Very low | 198 Ų | 198 | 159.7 Ų | 159.7 | 86% | 0.861 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 134.8 | -177.8 | -138.4 | 174.9 | -176.4 | -178.1 | 0 | 112.1 | ||
| 288 | R | 44.3 | Very low | 44.8 | Very low | 216 Ų | 216 | 165.4 Ų | 165.4 | 82% | 0.815 | 85% | 0.852 | S | S | * | * | trans | -93.3 | 115.5 | 174.3 | -169.7 | 177.7 | 84.4 | 173.7 | 5.4 | 109.4 | ||||
| 289 | T | 43.8 | Very low | 44.2 | Very low | 135 Ų | 135 | 164.7 Ų | 164.7 | 83% | 0.828 | 86% | 0.856 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 120.8 | 176.9 | -42 | 0 | 0 | 0 | 0 | 110 | ||
| 290 | Q | 46.6 | Very low | 43.7 | Very low | 157 Ų | 157 | 168.3 Ų | 168.3 | 73% | 0.734 | 86% | 0.858 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 132.5 | 166.7 | -81.4 | 176.9 | -36.9 | 0 | 0 | 109.4 | ||
| 291 | K | 42.1 | Very low | 43.6 | Very low | 212 Ų | 212 | 171.4 Ų | 171.4 | 92% | 0.922 | 86% | 0.863 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 128.9 | 168.4 | -79.5 | 179.4 | 170.6 | -176.5 | 0 | 108.8 | ||
| 292 | R | 43.4 | Very low | 43.2 | Very low | 244 Ų | 244 | 175.4 Ų | 175.4 | 92% | 0.921 | 87% | 0.874 | S | S | * | * | P | Polyproline II helix | trans | -78 | 142.2 | 170.8 | -63.2 | 174.4 | 102.3 | -177 | 3.6 | 109.5 | ||
| 293 | S | 40.1 | Very low | 42.7 | Very low | 116 Ų | 116 | 170.9 Ų | 170.9 | 81% | 0.811 | 87% | 0.87 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 137.6 | 165.1 | 47.2 | 0 | 0 | 0 | 0 | 109.8 | ||
| 294 | A | 42.8 | Very low | 42.9 | Very low | 103 Ų | 103 | 165.5 Ų | 165.5 | 85% | 0.851 | 87% | 0.865 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 145.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 295 | G | 36.5 | Very low | 42.7 | Very low | 79 Ų | 79 | 170.1 Ų | 170.1 | 81% | 0.814 | 88% | 0.876 | S | S | * | * | P | Polyproline II helix | trans | -76 | 157.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 296 | S | 38.1 | Very low | 41.8 | Very low | 122 Ų | 122 | 173.2 Ų | 173.2 | 85% | 0.853 | 88% | 0.878 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 131.5 | 164.4 | 49.8 | 0 | 0 | 0 | 0 | 110 | ||
| 297 | D | 42.3 | Very low | 41.7 | Very low | 154 Ų | 154 | 166.6 Ų | 166.6 | 82% | 0.824 | 87% | 0.872 | S | S | * | * | trans | -128.9 | 136.8 | 157.7 | -129 | -6.7 | 0 | 0 | 0 | 106.5 | ||||
| 298 | E | 37.7 | Very low | 41.6 | Very low | 263 Ų | 263 | 163.7 Ų | 163.7 | 100% | 1.229 | 87% | 0.873 | S | S | * | * | trans | 65.5 | 0 | 175.4 | -72.6 | 169.1 | 119.7 | 0 | 0 | 119.5 |
Retrieved 298 of 298 residues in 74.3 ms
(Link to these results)