| 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 | 42.5 | Very low | 46.3 | Very low | 240 Ų | 240 | 134.4 Ų | 134.4 | 100% | 1.182 | 81% | 0.809 | S | S | * | * | 0 | 131.2 | 0 | -90.3 | 157.4 | 172.8 | 0 | 0 | 107.2 | |||||
| 2 | L | 51 | Low | 46 | Very low | 175 Ų | 175 | 137.4 Ų | 137.4 | 92% | 0.916 | 82% | 0.816 | S | S | * | * | trans | 85.9 | 64.2 | -176.5 | -57.1 | 164.3 | 0 | 0 | 0 | 116 | ||||
| 3 | E | 40.5 | Very low | 45.9 | Very low | 201 Ų | 201 | 135 Ų | 135 | 94% | 0.939 | 81% | 0.81 | S | S | * | * | trans | -93.7 | 111.1 | 147.1 | -64.6 | -92.8 | 99.2 | 0 | 0 | 105.3 | ||||
| 4 | G | 46.5 | Very low | 46.1 | Very low | 69 Ų | 69 | 133.2 Ų | 133.2 | 71% | 0.711 | 80% | 0.803 | S | S | * | * | trans | -120.2 | 110.1 | -173.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 5 | V | 48.5 | Very low | 46 | Very low | 132 Ų | 132 | 133.2 Ų | 133.2 | 80% | 0.8 | 80% | 0.804 | S | S | * | * | trans | 0.9 | 135.4 | 146.3 | -46 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 6 | S | 53.7 | Low | 45.6 | Very low | 99 Ų | 99 | 138.3 Ų | 138.3 | 69% | 0.692 | 80% | 0.804 | S | S | * | * | 167.5 | 146.6 | 73.1 | -103.6 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 7 | S | 51 | Low | 45.3 | Very low | 108 Ų | 108 | 136.5 Ų | 136.5 | 76% | 0.755 | 80% | 0.8 | S | S | * | * | trans | 63.6 | 117.5 | 141.7 | -45.1 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 8 | G | 41 | Very low | 44.7 | Very low | 59 Ų | 59 | 136 Ų | 136 | 61% | 0.608 | 79% | 0.793 | S | S | * | * | cis | 79.8 | 74 | 48.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 9 | L | 54.2 | Low | 44.6 | Very low | 163 Ų | 163 | 137.8 Ų | 137.8 | 85% | 0.853 | 80% | 0.798 | S | S | * | * | trans | -126.6 | 94.8 | 161.7 | -103.8 | 108.1 | 0 | 0 | 0 | 109.7 | ||||
| 10 | H | 42.5 | Very low | 44.2 | Very low | 168 Ų | 168 | 135.8 Ų | 135.8 | 78% | 0.778 | 79% | 0.788 | S | S | * | * | trans | -58.3 | 140 | 147.7 | 26.1 | -109.9 | 0 | 0 | 0 | 110.2 | ||||
| 11 | G | 37.8 | Very low | 43.8 | Very low | 64 Ų | 64 | 134.9 Ų | 134.9 | 66% | 0.66 | 79% | 0.789 | S | S | * | * | trans | 112 | 120.2 | 150.6 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 12 | L | 43.2 | Very low | 43.9 | Very low | 171 Ų | 171 | 133.2 Ų | 133.2 | 90% | 0.895 | 77% | 0.77 | S | S | * | * | trans | 81.1 | 83.2 | 156 | -43.3 | -177.4 | 0 | 0 | 0 | 114.5 | ||||
| 13 | S | 43.9 | Very low | 43.3 | Very low | 106 Ų | 106 | 130.2 Ų | 130.2 | 74% | 0.741 | 76% | 0.764 | S | S | * | * | trans | -64.3 | 133 | 155.3 | 62.7 | 0 | 0 | 0 | 0 | 108.6 | V15 | S13-V15 PolarHBondContact O-N 3.27Š| ||
| 14 | P | 49.4 | Very low | 42.9 | Very low | 110 Ų | 110 | 128.8 Ų | 128.8 | 71% | 0.714 | 76% | 0.762 | S | S | * | * | trans | -67 | 122 | 167.8 | 26.2 | -29 | 0 | 0 | 0 | 107.3 | R16 | P14-R16 PolarHBondContact O-N 3.07Š| ||
| 15 | V | 45 | Very low | 42.6 | Very low | 133 Ų | 133 | 131.2 Ų | 131.2 | 81% | 0.806 | 77% | 0.768 | S | S | * | * | trans | -64.9 | 90.3 | 167.8 | -162.8 | 0 | 0 | 0 | 0 | 106.2 | S13 C17 | S13-V15 PolarHBondContact O-N 3.27Å; V15-C17 PolarHBondContact O-N 3.14Å | ||
| 16 | R | 39.4 | Very low | 42.1 | Very low | 214 Ų | 214 | 135.3 Ų | 135.3 | 81% | 0.808 | 78% | 0.775 | S | S | * | * | trans | -72.6 | 108.8 | 163 | -83.7 | -170.7 | 156.4 | 173.5 | -4.7 | 105.8 | P14 D18 | P14-R16 PolarHBondContact O-N 3.07Å; R16-D18 VanDerWaalsContact C-N 3.27Å; R16-D18 PolarHBondContact O-N 2.92Å | ||
| 17 | C | 39.4 | Very low | 41.1 | Very low | 109 Ų | 109 | 134.5 Ų | 134.5 | 74% | 0.736 | 78% | 0.782 | S | S | * | * | trans | -64.5 | 98.3 | 160.5 | -64.4 | 0 | 0 | 0 | 0 | 106.7 | V15 L19 | V15-C17 PolarHBondContact O-N 3.14Å; C17-L19 PolarHBondContact O-N 3.16Å | ||
| 18 | D | 35.1 | Very low | 40.2 | Very low | 127 Ų | 127 | 132.7 Ų | 132.7 | 68% | 0.679 | 78% | 0.78 | S | S | * | * | trans | -61.6 | 101.6 | 176.1 | -115.7 | -64.7 | 0 | 0 | 0 | 109.2 | R16 T20 | R16-D18 VanDerWaalsContact C-N 3.27Å; R16-D18 PolarHBondContact O-N 2.92Å; D18-T20 PolarHBondContact O-N 3.43Å; D18-T20 PolarHBondContact OD1-OG1 3.05Å | ||
| 19 | L | 42 | Very low | 40.1 | Very low | 170 Ų | 170 | 137.7 Ų | 137.7 | 89% | 0.89 | 79% | 0.793 | S | S | * | * | trans | -75.6 | 62.7 | 163.4 | -109.9 | 85 | 0 | 0 | 0 | 108.7 | C17 | C17-L19 PolarHBondContact O-N 3.16Š| ||
| 20 | T | 37 | Very low | 39.2 | Very low | 97 Ų | 97 | 139.3 Ų | 139.3 | 60% | 0.595 | 79% | 0.794 | S | S | * | * | trans | -139 | 55.5 | 179.2 | 49.7 | 0 | 0 | 0 | 0 | 110.9 | D18 | D18-T20 PolarHBondContact O-N 3.43Å; D18-T20 PolarHBondContact OD1-OG1 3.05Å | ||
| 21 | S | 37.2 | Very low | 38.9 | Very low | 117 Ų | 117 | 135.8 Ų | 135.8 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | -161.4 | 67 | 164.7 | -82.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 22 | R | 43.1 | Very low | 39.1 | Very low | 206 Ų | 206 | 139.7 Ų | 139.7 | 78% | 0.777 | 79% | 0.793 | S | S | * | * | trans | -143.9 | 125.9 | 149.8 | -63.5 | -165.2 | -179.9 | -145.6 | 1 | 110 | E37 | R22-E37 IonicContact CZ-OE2 3.97Å; R22-E37 IonicContact NH1-OE2 2.93Å; R22-E37 PolarHBondContact NH1-OE2 3.4Å | ||
| 23 | S | 39.1 | Very low | 39 | Very low | 112 Ų | 112 | 136 Ų | 136 | 78% | 0.783 | 78% | 0.778 | S | S | * | * | trans | -58.4 | 154.4 | -168.9 | -178 | 0 | 0 | 0 | 0 | 115.2 | S25 | S23-S25 PolarHBondContact O-N 2.9Š| ||
| 24 | L | 32.6 | Very low | 39 | Very low | 171 Ų | 171 | 137 Ų | 137 | 90% | 0.895 | 78% | 0.775 | S | S | * | * | trans | -38.1 | 127 | 168.1 | -85.2 | 76.6 | 0 | 0 | 0 | 113.1 | ||||
| 25 | S | 40.4 | Very low | 38.6 | Very low | 120 Ų | 120 | 136.9 Ų | 136.9 | 84% | 0.839 | 77% | 0.772 | S | S | * | * | trans | -148.2 | 134.4 | 140.6 | 57.1 | 0 | 0 | 0 | 0 | 110.1 | S23 | S23-S25 PolarHBondContact O-N 2.9Š| ||
| 26 | K | 37.7 | Very low | 38.6 | Very low | 217 Ų | 217 | 137.5 Ų | 137.5 | 94% | 0.943 | 77% | 0.768 | S | S | * | * | trans | -78.9 | 133 | -173.7 | -86.2 | 167.4 | 166.9 | 159.6 | 0 | 110.9 | ||||
| 27 | G | 32 | Very low | 38.3 | Very low | 83 Ų | 83 | 133.5 Ų | 133.5 | 86% | 0.856 | 76% | 0.759 | S | S | * | * | trans | 95.1 | 133.7 | 150.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 28 | G | 32 | Very low | 38 | Very low | 69 Ų | 69 | 132.9 Ų | 132.9 | 71% | 0.711 | 75% | 0.754 | S | S | * | * | S | Bend | trans | 107.4 | 110.8 | 163.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 29 | D | 40 | Very low | 38 | Very low | 165 Ų | 165 | 131.8 Ų | 131.8 | 88% | 0.882 | 75% | 0.752 | S | S | * | * | trans | 29.9 | 104.4 | 158 | -60.7 | -82.4 | 0 | 0 | 0 | 119.3 | S31 | D29-S31 PolarHBondContact O-N 3.38Š| ||
| 30 | F | 35.4 | Very low | 38.1 | Very low | 196 Ų | 196 | 128.8 Ų | 128.8 | 86% | 0.86 | 74% | 0.741 | S | S | * | * | trans | -73.8 | 89 | 172.4 | -113.3 | -101.3 | 0 | 0 | 0 | 110.9 | L32 | F30-L32 HydrophobicContact CD1-CD2 3.56Å; F30-L32 HydrophobicContact CD1-CG 3.92Å; F30-L32 HydrophobicContact CE1-CD2 3.53Å; F30-L32 HydrophobicContact CE1-CG 4.37Å | ||
| 31 | S | 34.4 | Very low | 38.1 | Very low | 95 Ų | 95 | 130.6 Ų | 130.6 | 66% | 0.664 | 75% | 0.747 | S | S | * | * | trans | -96.6 | 104 | 153.8 | -175.5 | 0 | 0 | 0 | 0 | 107.6 | D29 T33 | D29-S31 PolarHBondContact O-N 3.38Å; S31-T33 PolarHBondContact O-N 3.34Å | ||
| 32 | L | 43.4 | Very low | 37.9 | Very low | 146 Ų | 146 | 129.2 Ų | 129.2 | 76% | 0.764 | 74% | 0.738 | S | S | * | * | trans | -68.2 | 74.1 | 176.8 | -70.8 | 172.7 | 0 | 0 | 0 | 110.2 | F30 N34 | F30-L32 HydrophobicContact CD1-CD2 3.56Å; F30-L32 HydrophobicContact CD1-CG 3.92Å; F30-L32 HydrophobicContact CE1-CD2 3.53Å; F30-L32 HydrophobicContact CE1-CG 4.37Å; L32-N34 PolarHBondContact O-N 2.76Å | ||
| 33 | T | 40.2 | Very low | 37.4 | Very low | 94 Ų | 94 | 121.7 Ų | 121.7 | 58% | 0.577 | 72% | 0.724 | S | S | * | * | trans | -87.2 | 97.9 | 160 | 54 | 0 | 0 | 0 | 0 | 106.4 | S31 T35 | S31-T33 PolarHBondContact O-N 3.34Å; T33-T35 PolarHBondContact O-N 2.72Å | ||
| 34 | N | 44.2 | Very low | 37.1 | Very low | 127 Ų | 127 | 125.4 Ų | 125.4 | 68% | 0.679 | 72% | 0.722 | S | S | * | * | trans | -77.3 | 70.8 | 171.6 | -146.4 | 32.3 | 0 | 0 | 0 | 107.1 | L32 M36 | L32-N34 PolarHBondContact O-N 2.76Å; N34-M36 PolarHBondContact O-N 3Å; N34-M36 VanDerWaalsContact O-N 3.08Å | ||
| 35 | T | 41.3 | Very low | 37.2 | Very low | 106 Ų | 106 | 122.7 Ų | 122.7 | 65% | 0.65 | 71% | 0.713 | S | S | * | * | trans | -62.2 | 114.5 | 175.4 | -61.2 | 0 | 0 | 0 | 0 | 107.2 | T33 E37 | T33-T35 PolarHBondContact O-N 2.72Å; T35-E37 VanDerWaalsContact C-N 3.32Å; T35-E37 PolarHBondContact O-N 3.38Å | ||
| 36 | M | 44.5 | Very low | 37.1 | Very low | 147 Ų | 147 | 122.1 Ų | 122.1 | 72% | 0.724 | 71% | 0.705 | S | S | * | * | trans | -58 | 91.6 | 169.9 | 57.6 | -165.2 | 97.9 | 0 | 0 | 110.1 | N34 C38 | N34-M36 PolarHBondContact O-N 3Å; N34-M36 VanDerWaalsContact O-N 3.08Å; M36-C38 PolarHBondContact O-N 3.01Å; M36-C38 VanDerWaalsContact O-N 3.17Å | ||
| 37 | E | 33 | Very low | 37 | Very low | 130 Ų | 130 | 119.3 Ų | 119.3 | 61% | 0.607 | 70% | 0.7 | S | S | * | * | trans | -77.6 | 86.9 | 152.9 | -66.8 | -166.4 | 115.2 | 0 | 0 | 106.7 | R22 T35 T39 | R22-E37 IonicContact CZ-OE2 3.97Å; R22-E37 IonicContact NH1-OE2 2.93Å; R22-E37 PolarHBondContact NH1-OE2 3.4Å; T35-E37 VanDerWaalsContact C-N 3.32Å; T35-E37 PolarHBondContact O-N 3.38Å; E37-T39 PolarHBondContact O-N 3.45Å | ||
| 38 | C | 33.1 | Very low | 37.3 | Very low | 95 Ų | 95 | 118.6 Ų | 118.6 | 64% | 0.642 | 69% | 0.693 | S | S | * | * | trans | -63.1 | 90.2 | 151.8 | 40.9 | 0 | 0 | 0 | 0 | 106.3 | M36 T40 | M36-C38 PolarHBondContact O-N 3.01Å; M36-C38 VanDerWaalsContact O-N 3.17Å; C38-T40 PolarHBondContact O-N 2.91Å | ||
| 39 | T | 36.6 | Very low | 37.7 | Very low | 104 Ų | 104 | 125 Ų | 125 | 64% | 0.638 | 70% | 0.702 | S | S | * | * | trans | -66.6 | 82.6 | 163.4 | -43.5 | 0 | 0 | 0 | 0 | 106.3 | E37 N41 | E37-T39 PolarHBondContact O-N 3.45Å; T39-N41 VanDerWaalsContact C-N 3.32Å; T39-N41 PolarHBondContact O-N 3.44Å; T39-N41 VanDerWaalsContact O-N 3.08Å | ||
| 40 | T | 42.3 | Very low | 37.9 | Very low | 108 Ų | 108 | 122.5 Ų | 122.5 | 66% | 0.663 | 69% | 0.694 | S | S | * | * | trans | -58.6 | 113.3 | 147.3 | 102.1 | 0 | 0 | 0 | 0 | 102.9 | C38 S42 | C38-T40 PolarHBondContact O-N 2.91Å; T40-S42 VanDerWaalsContact C-N 3.27Å; T40-S42 PolarHBondContact O-N 3.06Å | ||
| 41 | N | 37.4 | Very low | 38 | Very low | 134 Ų | 134 | 120 Ų | 120 | 72% | 0.717 | 70% | 0.696 | S | S | * | * | trans | -56.2 | 101.9 | 172.6 | 176.1 | -100.8 | 0 | 0 | 0 | 106.3 | T39 G43 | T39-N41 VanDerWaalsContact C-N 3.32Å; T39-N41 PolarHBondContact O-N 3.44Å; T39-N41 VanDerWaalsContact O-N 3.08Å; N41-G43 PolarHBondContact O-N 2.82Å; N41-G43 WeakPolarHBondContact OD1-CA 3.27Å; N41-G43 PolarHBondContact OD1-N 3.26Å | ||
| 42 | S | 32.6 | Very low | 38.3 | Very low | 89 Ų | 89 | 121.8 Ų | 121.8 | 62% | 0.622 | 70% | 0.702 | S | S | * | * | trans | -71 | 74.1 | 161.2 | -161 | 0 | 0 | 0 | 0 | 106 | T40 Y44 | T40-S42 VanDerWaalsContact C-N 3.27Å; T40-S42 PolarHBondContact O-N 3.06Å; S42-Y44 VanDerWaalsContact C-N 3.33Å; S42-Y44 PolarHBondContact O-N 3.01Å; S42-Y44 VanDerWaalsContact OG-CD1 3.24Å; S42-Y44 WeakPolarHBondContact OG-CD1 3.35Å; S42-Y44 WeakPolarHBondContact OG-CE1 3.46Å | ||
| 43 | G | 33 | Very low | 38.3 | Very low | 48 Ų | 48 | 120.4 Ų | 120.4 | 50% | 0.495 | 70% | 0.704 | S | S | . | * | trans | -95.5 | 54.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | N41 T45 | N41-G43 PolarHBondContact O-N 2.82Å; N41-G43 WeakPolarHBondContact OD1-CA 3.27Å; N41-G43 PolarHBondContact OD1-N 3.26Å; G43-T45 VanDerWaalsContact C-N 3.28Å; G43-T45 PolarHBondContact O-N 3.35Å; G43-T45 VanDerWaalsContact O-N 3.13Å | ||
| 44 | Y | 33.2 | Very low | 38.6 | Very low | 189 Ų | 189 | 125 Ų | 125 | 74% | 0.741 | 72% | 0.719 | S | S | * | * | trans | -75.5 | 84.4 | 160.2 | 57.5 | -89.9 | 0 | 0 | 0 | 107.5 | S42 | S42-Y44 VanDerWaalsContact C-N 3.33Å; S42-Y44 PolarHBondContact O-N 3.01Å; S42-Y44 VanDerWaalsContact OG-CD1 3.24Å; S42-Y44 WeakPolarHBondContact OG-CD1 3.35Å; S42-Y44 WeakPolarHBondContact OG-CE1 3.46Å | ||
| 45 | T | 34.7 | Very low | 38.6 | Very low | 115 Ų | 115 | 127.2 Ų | 127.2 | 71% | 0.706 | 73% | 0.73 | S | S | * | * | trans | -169.1 | 104.8 | 159.4 | 38.3 | 0 | 0 | 0 | 0 | 111.7 | G43 | G43-T45 VanDerWaalsContact C-N 3.28Å; G43-T45 PolarHBondContact O-N 3.35Å; G43-T45 VanDerWaalsContact O-N 3.13Å | ||
| 46 | T | 37.5 | Very low | 38.7 | Very low | 107 Ų | 107 | 127.3 Ų | 127.3 | 66% | 0.656 | 73% | 0.727 | S | S | * | * | trans | 57 | 109.9 | 136.7 | 152.6 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 47 | N | 36.7 | Very low | 39.3 | Very low | 158 Ų | 158 | 125.8 Ų | 125.8 | 85% | 0.845 | 73% | 0.728 | S | S | * | * | trans | 78.2 | 106.1 | 131.9 | -57.3 | -12.1 | 0 | 0 | 0 | 120 | ||||
| 48 | G | 38.5 | Very low | 40.1 | Very low | 69 Ų | 69 | 128.5 Ų | 128.5 | 71% | 0.711 | 74% | 0.738 | S | S | * | * | trans | -175.1 | 63.5 | 166.4 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 49 | F | 39.4 | Very low | 40.5 | Very low | 203 Ų | 203 | 133.1 Ų | 133.1 | 89% | 0.89 | 74% | 0.743 | S | S | * | * | trans | 44.1 | 123.1 | 157.2 | -51.6 | -78.6 | 0 | 0 | 0 | 122.3 | ||||
| 50 | P | 44.8 | Very low | 40.9 | Very low | 112 Ų | 112 | 133.8 Ų | 133.8 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | trans | -96.6 | 151 | -176.1 | 38.1 | -32.7 | 0 | 0 | 0 | 113.4 | ||||
| 51 | T | 37.9 | Very low | 41 | Very low | 145 Ų | 145 | 136.5 Ų | 136.5 | 89% | 0.89 | 75% | 0.753 | S | S | * | * | trans | -91.6 | 119 | 160.1 | 49.2 | 0 | 0 | 0 | 0 | 110.3 | S53 | T51-S53 PolarHBondContact O-N 3.19Š| ||
| 52 | V | 39.5 | Very low | 41.2 | Very low | 132 Ų | 132 | 134 Ų | 134 | 80% | 0.8 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -68.3 | 102.3 | -177.9 | -174.7 | 0 | 0 | 0 | 0 | 108.9 | ||
| 53 | S | 44 | Very low | 41.9 | Very low | 116 Ų | 116 | 136.5 Ų | 136.5 | 81% | 0.811 | 76% | 0.76 | S | S | * | * | trans | -169 | -17.7 | 159.4 | -87.1 | 0 | 0 | 0 | 0 | 118.5 | T51 | T51-S53 PolarHBondContact O-N 3.19Š| ||
| 54 | Q | 47.3 | Very low | 42.5 | Very low | 191 Ų | 191 | 141.9 Ų | 141.9 | 89% | 0.893 | 78% | 0.778 | S | S | * | * | trans | -135.4 | 63.8 | -173.3 | -72.5 | -175.2 | -20.2 | 0 | 0 | 113.2 | D56 | Q54-D56 PolarHBondContact O-N 3.35Š| ||
| 55 | L | 42.9 | Very low | 43.1 | Very low | 173 Ų | 173 | 138.9 Ų | 138.9 | 91% | 0.906 | 77% | 0.774 | S | S | * | * | trans | -77.8 | 94.3 | 149.1 | -91.7 | 161 | 0 | 0 | 0 | 106.6 | P57 | L55-P57 WeakPolarHBondContact O-CD 3.22Š| ||
| 56 | D | 44.5 | Very low | 43.6 | Very low | 108 Ų | 108 | 136.1 Ų | 136.1 | 58% | 0.578 | 76% | 0.755 | S | S | * | * | trans | -87.7 | 110.5 | 161.9 | -170.3 | -13.3 | 0 | 0 | 0 | 108.2 | Q54 F58 Y59 | Q54-D56 PolarHBondContact O-N 3.35Å; D56-F58 PolarHBondContact O-N 3.44Å; D56-F58 VanDerWaalsContact OD1-CB 3.27Å; D56-F58 WeakPolarHBondContact OD1-CB 3.45Å; D56-F58 PolarHBondContact OD1-N 3.26Å; D56-Y59 PolarHBondContact O-N 3.16Å | ||
| 57 | P | 57.4 | Low | 44.2 | Very low | 115 Ų | 115 | 135 Ų | 135 | 75% | 0.747 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.7 | -0.9 | 176.3 | -15.6 | 31.1 | 0 | 0 | 0 | 113.8 | L55 | L55-P57 WeakPolarHBondContact O-CD 3.22Š|
| 58 | F | 48.2 | Very low | 44.7 | Very low | 187 Ų | 187 | 133.9 Ų | 133.9 | 82% | 0.82 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.1 | 3.1 | 178.6 | -118 | -98 | 0 | 0 | 0 | 115.4 | D56 T60 | D56-F58 PolarHBondContact O-N 3.44Å; D56-F58 VanDerWaalsContact OD1-CB 3.27Å; D56-F58 WeakPolarHBondContact OD1-CB 3.45Å; D56-F58 PolarHBondContact OD1-N 3.26Å; F58-T60 PolarHBondContact O-N 3.47Å |
| 59 | Y | 43.1 | Very low | 45.2 | Very low | 192 Ų | 192 | 139.2 Ų | 139.2 | 75% | 0.753 | 74% | 0.738 | S | S | * | * | trans | -81.2 | 68.2 | 172.1 | -143.3 | -91.1 | 0 | 0 | 0 | 111.2 | D56 | D56-Y59 PolarHBondContact O-N 3.16Š| ||
| 60 | T | 44.4 | Very low | 46 | Very low | 118 Ų | 118 | 133.2 Ų | 133.2 | 72% | 0.724 | 72% | 0.715 | S | S | * | * | trans | -112.5 | 63 | 175.9 | -47.9 | 0 | 0 | 0 | 0 | 110.3 | F58 | F58-T60 PolarHBondContact O-N 3.47Š| ||
| 61 | Q | 43.2 | Very low | 46.9 | Very low | 166 Ų | 166 | 131.3 Ų | 131.3 | 78% | 0.776 | 70% | 0.698 | S | S | * | * | trans | -149.4 | 110.7 | 163.8 | -60 | -169.7 | 13.7 | 0 | 0 | 105.8 | ||||
| 62 | G | 43.1 | Very low | 48 | Very low | 81 Ų | 81 | 126.9 Ų | 126.9 | 84% | 0.835 | 67% | 0.669 | S | S | * | * | 92.7 | 12.5 | 63.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 63 | E | 45.8 | Very low | 49.5 | Very low | 141 Ų | 141 | 122.2 Ų | 122.2 | 66% | 0.659 | 64% | 0.643 | S | S | * | * | trans | -108.5 | 71.8 | 172.5 | -58.5 | 171 | 172.1 | 0 | 0 | 108.7 | L65 | E63-L65 PolarHBondContact O-N 2.82Š| ||
| 64 | D | 45.8 | Very low | 51.5 | Low | 161 Ų | 161 | 117.7 Ų | 117.7 | 86% | 0.861 | 61% | 0.61 | S | S | * | * | trans | -59.8 | 85.1 | 151.1 | -73.1 | -68.4 | 0 | 0 | 0 | 106 | N66 | D64-N66 PolarHBondContact O-N 3.18Š| ||
| 65 | L | 47.5 | Very low | 53.3 | Low | 127 Ų | 127 | 109.4 Ų | 109.4 | 67% | 0.665 | 57% | 0.573 | S | S | * | * | trans | -59.4 | 86.7 | 161.7 | -66.3 | 177.7 | 0 | 0 | 0 | 104.6 | E63 P67 | E63-L65 PolarHBondContact O-N 2.82Å; L65-P67 WeakPolarHBondContact O-CD 3.25Å; L65-P67 VanDerWaalsContact O-N 3.08Å | ||
| 66 | N | 45.2 | Very low | 55.6 | Low | 56 Ų | 56 | 101.2 Ų | 101.2 | 30% | 0.299 | 53% | 0.53 | S | S | . | . | trans | -72.1 | 100.6 | 172.7 | -177.2 | -19.6 | 0 | 0 | 0 | 103.9 | D64 Q68 R69 D70 | D64-N66 PolarHBondContact O-N 3.18Å; N66-Q68 PolarHBondContact O-N 2.91Å; N66-Q68 VanDerWaalsContact OD1-CB 3.25Å; N66-Q68 WeakPolarHBondContact OD1-CB 3Å; N66-Q68 PolarHBondContact OD1-N 3.33Å; N66-R69 HydrophobicContact CB-CB 4.25Å; N66-R69 HydrophobicContact CB-CG 3.96Å; N66-R69 PolarHBondContact ND2-NE 2.91Å; N66-R69 PolarHBondContact O-N 2.73Å; N66-D70 PolarHBondContact O-N 3.27Å | ||
| 67 | P | 50 | Low | 57.8 | Low | 84 Ų | 84 | 96.2 Ų | 96.2 | 55% | 0.545 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -55.7 | -26.8 | -172.7 | 25.3 | -34.4 | 0 | 0 | 0 | 110.3 | L65 L71 | L65-P67 WeakPolarHBondContact O-CD 3.25Å; L65-P67 VanDerWaalsContact O-N 3.08Å; P67-L71 VanDerWaalsContact O-CB 3.28Å; P67-L71 WeakPolarHBondContact O-CB 3.31Å; P67-L71 WeakPolarHBondContact O-CD1 3.18Å; P67-L71 WeakPolarHBondContact O-CG 3.37Å; P67-L71 PolarHBondContact O-N 2.93Å |
| 68 | Q | 47.1 | Very low | 59.3 | Low | 135 Ų | 135 | 90.8 Ų | 90.8 | 63% | 0.631 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -68 | -35.8 | 176.4 | -126.8 | 164.7 | -97.5 | 0 | 0 | 114.3 | N66 | N66-Q68 PolarHBondContact O-N 2.91Å; N66-Q68 VanDerWaalsContact OD1-CB 3.25Å; N66-Q68 WeakPolarHBondContact OD1-CB 3Å; N66-Q68 PolarHBondContact OD1-N 3.33Å |
| 69 | R | 48 | Very low | 61.3 | Low | 180 Ų | 180 | 85.3 Ų | 85.3 | 68% | 0.679 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -77.9 | -31.2 | 179.2 | -64.2 | -174.3 | -165.2 | -179.2 | 6.3 | 112.5 | N66 | N66-R69 HydrophobicContact CB-CB 4.25Å; N66-R69 HydrophobicContact CB-CG 3.96Å; N66-R69 PolarHBondContact ND2-NE 2.91Å; N66-R69 PolarHBondContact O-N 2.73Å |
| 70 | D | 56.6 | Low | 63.5 | Low | 78 Ų | 78 | 78.1 Ų | 78.1 | 42% | 0.417 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -78.6 | -34.1 | 178.1 | -65.9 | -57.5 | 0 | 0 | 0 | 111.4 | N66 D72 S73 V74 | N66-D70 PolarHBondContact O-N 3.27Å; D70-D72 VanDerWaalsContact C-N 3.35Å; D70-D72 PolarHBondContact O-N 2.94Å; D70-S73 WeakPolarHBondContact O-CB 3.31Å; D70-S73 PolarHBondContact O-N 3.11Å; D70-S73 VanDerWaalsContact O-N 3.1Å; D70-S73 PolarHBondContact O-OG 2.67Å; D70-V74 PolarHBondContact O-N 3.22Å |
| 71 | L | 62.7 | Low | 65.5 | Low | 71 Ų | 71 | 72.8 Ų | 72.8 | 37% | 0.372 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -59.9 | -40.7 | 175.7 | -76.1 | 166.7 | 0 | 0 | 0 | 112.5 | P67 S73 V74 C75 L114 | P67-L71 VanDerWaalsContact O-CB 3.28Å; P67-L71 WeakPolarHBondContact O-CB 3.31Å; P67-L71 WeakPolarHBondContact O-CD1 3.18Å; P67-L71 WeakPolarHBondContact O-CG 3.37Å; P67-L71 PolarHBondContact O-N 2.93Å; L71-S73 PolarHBondContact O-N 3.38Å; L71-V74 HydrophobicContact CD2-CG2 4.47Å; L71-V74 VanDerWaalsContact O-CG2 3.31Å; L71-V74 WeakPolarHBondContact O-CG2 3.44Å; L71-V74 PolarHBondContact O-N 3.1Å; L71-V74 VanDerWaalsContact O-N 3.11Å; L71-C75 WeakPolarHBondContact O-CB 3.41Å; L71-C75 PolarHBondContact O-N 3.03Å; L71-L114 HydrophobicContact CD2-CD1 3.84Å; L71-L114 HydrophobicContact CD2-CD2 3.97Å; L71-L114 HydrophobicContact CD2-CG 4.5Å |
| 72 | D | 62.4 | Low | 67.5 | Low | 52 Ų | 52 | 69.3 Ų | 69.3 | 28% | 0.278 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -60.3 | -31 | 176.6 | -63.8 | -27.8 | 0 | 0 | 0 | 112.1 | D70 | D70-D72 VanDerWaalsContact C-N 3.35Å; D70-D72 PolarHBondContact O-N 2.94Å |
| 73 | S | 71 | Confident | 69.4 | Low | 35 Ų | 35 | 68.7 Ų | 68.7 | 25% | 0.245 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -79.8 | -18.7 | -179.3 | 81.1 | 0 | 0 | 0 | 0 | 113.6 | D70 L71 | D70-S73 WeakPolarHBondContact O-CB 3.31Å; D70-S73 PolarHBondContact O-N 3.11Å; D70-S73 VanDerWaalsContact O-N 3.1Å; D70-S73 PolarHBondContact O-OG 2.67Å; L71-S73 PolarHBondContact O-N 3.38Å |
| 74 | V | 84.4 | Confident | 71.3 | Confident | 20 Ų | 20 | 70.8 Ų | 70.8 | 12% | 0.121 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -108.7 | -9.9 | -179.6 | -59.7 | 0 | 0 | 0 | 0 | 113.4 | D70 L71 L114 Y115 R118 | D70-V74 PolarHBondContact O-N 3.22Å; L71-V74 HydrophobicContact CD2-CG2 4.47Å; L71-V74 VanDerWaalsContact O-CG2 3.31Å; L71-V74 WeakPolarHBondContact O-CG2 3.44Å; L71-V74 PolarHBondContact O-N 3.1Å; L71-V74 VanDerWaalsContact O-N 3.11Å; V74-L114 HydrophobicContact CG2-CD1 3.61Å; V74-L114 HydrophobicContact CG2-CG 4.35Å; V74-Y115 WeakPolarHBondContact CB-O 3.32Å; V74-Y115 WeakPolarHBondContact O-CB 3.21Å; V74-Y115 PolarHBondContact O-N 3.43Å; V74-R118 HydrophobicContact CG1-CB 4.26Å |
| 75 | C | 86.7 | Confident | 73.2 | Confident | 17 Ų | 17 | 63.8 Ų | 63.8 | 12% | 0.115 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 130.4 | 177.4 | -167.2 | 0 | 0 | 0 | 0 | 111.3 | L71 I113 L114 C143 | L71-C75 WeakPolarHBondContact O-CB 3.41Å; L71-C75 PolarHBondContact O-N 3.03Å; C75-I113 WeakPolarHBondContact CA-O 2.98Å; C75-L114 HydrophobicContact CB-CD1 3.77Å; C75-C143 HydrophobicContact CB-CB 3.51Å; C75-C143 PolarHBondContact O-N 3.47Å; C75-C143 VanDerWaalsContact SG-CB 3.5Å |
| 76 | V | 90.2 | Very high | 75.1 | Confident | 1 Ų | 1 | 57.8 Ų | 57.8 | 1% | 0.006 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 145.1 | 174.3 | -56.9 | 0 | 0 | 0 | 0 | 109.8 | V78 H112 I113 Y115 A121 A124 L125 V140 E141 | V76-V78 HydrophobicContact CG2-CG2 4.48Å; V76-H112 CarbonylContact O-C 3.59Å; V76-I113 HydrophobicContact CG2-CB 3.95Å; V76-I113 PolarHBondContact N-O 3.2Å; V76-I113 PolarHBondContact O-N 3.44Å; V76-Y115 HydrophobicContact CG2-CD2 4.11Å; V76-Y115 HydrophobicContact CG2-CE2 3.65Å; V76-A121 HydrophobicContact CG1-CB 3.8Å; V76-A124 HydrophobicContact CG2-CB 4.31Å; V76-L125 HydrophobicContact CG1-CD2 4.15Å; V76-L125 HydrophobicContact CG1-CG 4.03Å; V76-V140 HydrophobicContact CB-CG1 4.03Å; V76-V140 HydrophobicContact CG2-CG1 4.25Å; V76-E141 CarbonylContact C-O 3.53Å; V76-E141 WeakPolarHBondContact CA-O 3.4Å |
| 77 | T | 90.3 | Very high | 77.1 | Confident | 4 Ų | 4 | 58.8 Ų | 58.8 | 3% | 0.025 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 123.2 | 173.3 | -42.1 | 0 | 0 | 0 | 0 | 108.8 | F79 H112 V140 E141 | T77-F79 HydrophobicContact CG2-CD1 4.39Å; T77-F79 HydrophobicContact CG2-CD2 4.02Å; T77-F79 HydrophobicContact CG2-CE1 3.67Å; T77-F79 HydrophobicContact CG2-CE2 3.28Å; T77-F79 HydrophobicContact CG2-CZ 3.06Å; T77-H112 WeakPolarHBondContact CG2-CE1 3.34Å; T77-H112 VanDerWaalsContact CG2-ND1 3.31Å; T77-H112 WeakPolarHBondContact CG2-ND1 3.19Å; T77-H112 PolarHBondContact OG1-CE1 2.82Å; T77-H112 PolarHBondContact OG1-ND1 3.34Å; T77-V140 WeakPolarHBondContact O-CA 3.28Å; T77-E141 PolarHBondContact N-O 2.93Å; T77-E141 PolarHBondContact O-N 2.87Å |
| 78 | V | 90.6 | Very high | 79 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 131.5 | 178.8 | -170.6 | 0 | 0 | 0 | 0 | 107.7 | V76 F81 I89 F93 S110 T111 I113 I138 D139 V140 | V76-V78 HydrophobicContact CG2-CG2 4.48Å; V78-F81 HydrophobicContact CB-CE1 3.93Å; V78-F81 HydrophobicContact CG1-CD1 4Å; V78-F81 HydrophobicContact CG1-CE1 3.73Å; V78-F81 WeakPolarHBondContact O-CE1 3.3Å; V78-I89 HydrophobicContact CG1-CG2 3.93Å; V78-F93 HydrophobicContact CB-CE1 4.42Å; V78-F93 HydrophobicContact CB-CZ 4.27Å; V78-F93 HydrophobicContact CG1-CE1 4.26Å; V78-F93 HydrophobicContact CG1-CE2 4.02Å; V78-F93 HydrophobicContact CG1-CZ 3.63Å; V78-F93 HydrophobicContact CG2-CD1 3.81Å; V78-F93 HydrophobicContact CG2-CE1 3.26Å; V78-F93 HydrophobicContact CG2-CE2 4.31Å; V78-F93 HydrophobicContact CG2-CZ 3.54Å; V78-S110 CarbonylContact O-C 3.55Å; V78-S110 WeakPolarHBondContact O-CA 3.26Å; V78-T111 PolarHBondContact N-O 3.31Å; V78-T111 PolarHBondContact O-N 2.9Å; V78-I113 HydrophobicContact CG2-CD1 3.61Å; V78-I113 HydrophobicContact CG2-CG1 4.25Å; V78-I138 HydrophobicContact CG1-CG2 3.31Å; V78-D139 CarbonylContact C-O 3.6Å; V78-D139 WeakPolarHBondContact CA-O 3.39Å; V78-V140 HydrophobicContact CG1-CG2 4.47Å; V78-V140 HydrophobicContact CG2-CG1 4.35Å |
| 79 | F | 89.8 | Confident | 81 | Confident | 73 Ų | 73 | 51.9 Ų | 51.9 | 32% | 0.32 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 159.9 | -179.3 | -57.1 | -91.2 | 0 | 0 | 0 | 110.9 | T77 N109 I138 D139 E141 | T77-F79 HydrophobicContact CG2-CD1 4.39Å; T77-F79 HydrophobicContact CG2-CD2 4.02Å; T77-F79 HydrophobicContact CG2-CE1 3.67Å; T77-F79 HydrophobicContact CG2-CE2 3.28Å; T77-F79 HydrophobicContact CG2-CZ 3.06Å; F79-N109 WeakPolarHBondContact CA-O 3.42Å; F79-I138 WeakPolarHBondContact O-CA 2.96Å; F79-D139 PolarHBondContact N-O 2.73Å; F79-D139 PolarHBondContact O-N 2.63Å; F79-E141 HydrophobicContact CE2-CB 4.24Å |
| 80 | G | 87.7 | Confident | 83 | Confident | 41 Ų | 41 | 43.9 Ų | 43.9 | 42% | 0.423 | 24% | 0.242 | S | C | . | . | S | Bend | trans | 95.8 | 15.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | N109 I136 K137 | G80-N109 PolarHBondContact N-O 3.41Å; G80-I136 WeakPolarHBondContact O-CG2 3.45Å; G80-K137 VanDerWaalsContact O-O 3.11Å |
| 81 | F | 86.6 | Confident | 84.6 | Confident | 5 Ų | 5 | 48.5 Ų | 48.5 | 2% | 0.022 | 25% | 0.254 | C | S | . | . | trans | -116.2 | 150 | 172.4 | 58.9 | -88.7 | 0 | 0 | 0 | 111.4 | V78 T85 A86 I89 N109 T111 I136 I138 | V78-F81 HydrophobicContact CB-CE1 3.93Å; V78-F81 HydrophobicContact CG1-CD1 4Å; V78-F81 HydrophobicContact CG1-CE1 3.73Å; V78-F81 WeakPolarHBondContact O-CE1 3.3Å; F81-T85 WeakPolarHBondContact CB-OG1 3.25Å; F81-A86 HydrophobicContact CD2-CB 3.78Å; F81-A86 HydrophobicContact CE2-CB 3.47Å; F81-A86 VanDerWaalsContact CE2-CB 3.47Å; F81-I89 HydrophobicContact CB-CG1 3.8Å; F81-I89 HydrophobicContact CD1-CG1 4.2Å; F81-I89 HydrophobicContact CD1-CG2 4.25Å; F81-I89 HydrophobicContact CD2-CG1 4.5Å; F81-I89 HydrophobicContact CE1-CG2 4.47Å; F81-I89 HydrophobicContact CG-CG1 3.91Å; F81-N109 VanDerWaalsContact O-CB 3.28Å; F81-N109 WeakPolarHBondContact O-CB 3.46Å; F81-T111 VanDerWaalsContact CZ-OG1 3.26Å; F81-T111 WeakPolarHBondContact CZ-OG1 3.35Å; F81-I136 HydrophobicContact CB-CG2 4.15Å; F81-I138 HydrophobicContact CB-CD1 3.62Å; F81-I138 HydrophobicContact CD1-CD1 3.92Å; F81-I138 HydrophobicContact CG-CD1 4.25Å | ||
| 82 | D | 85.4 | Confident | 85.9 | Confident | 94 Ų | 94 | 49.8 Ų | 49.8 | 50% | 0.503 | 26% | 0.256 | S | S | . | . | trans | -73.2 | 148.9 | 171.1 | -66.2 | -46.1 | 0 | 0 | 0 | 110.1 | E84 T85 A86 | D82-E84 PolarHBondContact O-N 3.44Å; D82-E84 VanDerWaalsContact O-N 3.09Å; D82-T85 PolarHBondContact N-OG1 3.36Å; D82-T85 VanDerWaalsContact N-OG1 3.15Å; D82-T85 CarbonylContact O-C 3.59Å; D82-T85 WeakPolarHBondContact O-CA 3.41Å; D82-T85 PolarHBondContact O-N 2.91Å; D82-T85 PolarHBondContact O-OG1 3.34Å; D82-A86 PolarHBondContact O-N 2.88Å; D82-A86 VanDerWaalsContact O-N 3.13Å | ||
| 83 | P | 83.1 | Confident | 87.2 | Confident | 68 Ų | 68 | 47.3 Ų | 47.3 | 44% | 0.442 | 24% | 0.243 | S | C | . | . | G | 310 helix | trans | -56.1 | -29.7 | 177.5 | 22.7 | -34 | 0 | 0 | 0 | 112.6 | T85 A86 | P83-T85 PolarHBondContact O-N 3.4Å; P83-A86 VanDerWaalsContact O-CB 3.31Å; P83-A86 WeakPolarHBondContact O-CB 3.33Å; P83-A86 PolarHBondContact O-N 3.16Å |
| 84 | E | 85.2 | Confident | 88.1 | Confident | 185 Ų | 185 | 49.7 Ų | 49.7 | 86% | 0.864 | 26% | 0.256 | S | S | * | . | G | 310 helix | trans | -62.6 | -30.2 | 173.1 | -170.7 | -179.7 | 171.8 | 0 | 0 | 112.8 | D82 | D82-E84 PolarHBondContact O-N 3.44Å; D82-E84 VanDerWaalsContact O-N 3.09Å |
| 85 | T | 87.6 | Confident | 88.3 | Confident | 13 Ų | 13 | 55.1 Ų | 55.1 | 8% | 0.08 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -98.5 | -3.8 | -178.8 | 62.6 | 0 | 0 | 0 | 0 | 113.5 | F81 D82 P83 D87 M88 I89 I136 | F81-T85 WeakPolarHBondContact CB-OG1 3.25Å; D82-T85 PolarHBondContact N-OG1 3.36Å; D82-T85 VanDerWaalsContact N-OG1 3.15Å; D82-T85 CarbonylContact O-C 3.59Å; D82-T85 WeakPolarHBondContact O-CA 3.41Å; D82-T85 PolarHBondContact O-N 2.91Å; D82-T85 PolarHBondContact O-OG1 3.34Å; P83-T85 PolarHBondContact O-N 3.4Å; T85-D87 VanDerWaalsContact C-N 3.29Å; T85-D87 PolarHBondContact O-N 3.27Å; T85-M88 WeakPolarHBondContact O-CB 3.37Å; T85-M88 PolarHBondContact O-N 3.21Å; T85-M88 VanDerWaalsContact O-N 3.08Å; T85-I89 WeakPolarHBondContact O-CG1 3.38Å; T85-I89 PolarHBondContact O-N 2.9Å; T85-I136 HydrophobicContact CG2-CD1 3.68Å |
| 86 | A | 87.4 | Confident | 88.4 | Confident | 2 Ų | 2 | 55.7 Ų | 55.7 | 2% | 0.017 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -54.4 | -43.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | F81 D82 P83 M88 I89 L90 I104 | F81-A86 HydrophobicContact CD2-CB 3.78Å; F81-A86 HydrophobicContact CE2-CB 3.47Å; F81-A86 VanDerWaalsContact CE2-CB 3.47Å; D82-A86 PolarHBondContact O-N 2.88Å; D82-A86 VanDerWaalsContact O-N 3.13Å; P83-A86 VanDerWaalsContact O-CB 3.31Å; P83-A86 WeakPolarHBondContact O-CB 3.33Å; P83-A86 PolarHBondContact O-N 3.16Å; A86-M88 PolarHBondContact O-N 3.04Å; A86-I89 PolarHBondContact O-N 2.77Å; A86-L90 WeakPolarHBondContact O-CG 3.45Å; A86-L90 PolarHBondContact O-N 2.81Å; A86-I104 HydrophobicContact CB-CD1 4.22Å; A86-I104 HydrophobicContact CB-CG2 4.07Å |
| 87 | D | 86.9 | Confident | 88.3 | Confident | 76 Ų | 76 | 56.4 Ų | 56.4 | 41% | 0.406 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64.1 | -39.9 | 179.3 | -175.3 | -90.2 | 0 | 0 | 0 | 112.2 | T85 I89 L90 R91 | T85-D87 VanDerWaalsContact C-N 3.29Å; T85-D87 PolarHBondContact O-N 3.27Å; D87-I89 VanDerWaalsContact C-N 3.34Å; D87-I89 PolarHBondContact O-N 2.86Å; D87-L90 PolarHBondContact O-N 2.9Å; D87-R91 WeakPolarHBondContact O-CG 3.36Å; D87-R91 PolarHBondContact O-N 3.08Å; D87-R91 IonicContact OD1-CZ 2.97Å; D87-R91 IonicContact OD1-NE 2.73Å; D87-R91 PolarHBondContact OD1-NE 2.92Å; D87-R91 IonicContact OD1-NH2 2.63Å; D87-R91 PolarHBondContact OD1-NH2 3.09Å |
| 88 | M | 90 | Very high | 88.3 | Confident | 71 Ų | 71 | 59.7 Ų | 59.7 | 35% | 0.35 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.8 | -42.8 | 174.6 | -175.7 | -165.7 | 70.4 | 0 | 0 | 111.3 | T85 A86 K92 A133 I136 | T85-M88 WeakPolarHBondContact O-CB 3.37Å; T85-M88 PolarHBondContact O-N 3.21Å; T85-M88 VanDerWaalsContact O-N 3.08Å; A86-M88 PolarHBondContact O-N 3.04Å; M88-K92 PolarHBondContact O-N 3.3Å; M88-A133 HydrophobicContact CE-CB 3.88Å; M88-A133 HydrophobicContact SD-CB 4.1Å; M88-I136 HydrophobicContact CE-CD1 3.86Å |
| 89 | I | 89.2 | Confident | 88.2 | Confident | 3 Ų | 3 | 61.2 Ų | 61.2 | 2% | 0.015 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.7 | -49.2 | 176.6 | -63.1 | -53.7 | 0 | 0 | 0 | 109.9 | V78 F81 T85 A86 D87 R91 K92 F93 F132 I138 | V78-I89 HydrophobicContact CG1-CG2 3.93Å; F81-I89 HydrophobicContact CB-CG1 3.8Å; F81-I89 HydrophobicContact CD1-CG1 4.2Å; F81-I89 HydrophobicContact CD1-CG2 4.25Å; F81-I89 HydrophobicContact CD2-CG1 4.5Å; F81-I89 HydrophobicContact CE1-CG2 4.47Å; F81-I89 HydrophobicContact CG-CG1 3.91Å; T85-I89 WeakPolarHBondContact O-CG1 3.38Å; T85-I89 PolarHBondContact O-N 2.9Å; A86-I89 PolarHBondContact O-N 2.77Å; D87-I89 VanDerWaalsContact C-N 3.34Å; D87-I89 PolarHBondContact O-N 2.86Å; I89-R91 VanDerWaalsContact C-N 3.35Å; I89-R91 PolarHBondContact O-N 2.91Å; I89-K92 CarbonylContact O-C 3.5Å; I89-K92 WeakPolarHBondContact O-CA 3.31Å; I89-K92 WeakPolarHBondContact O-CB 3.46Å; I89-K92 PolarHBondContact O-N 2.99Å; I89-F93 HydrophobicContact CG2-CD2 3.64Å; I89-F93 HydrophobicContact CG2-CE2 3.55Å; I89-F93 VanDerWaalsContact O-CD2 3.24Å; I89-F93 WeakPolarHBondContact O-CD2 3.44Å; I89-F93 PolarHBondContact O-N 2.81Å; I89-F132 HydrophobicContact CD1-CB 4.21Å; I89-F132 HydrophobicContact CD1-CG 4.37Å; I89-I138 HydrophobicContact CD1-CD1 3.58Å; I89-I138 HydrophobicContact CD1-CG1 3.87Å; I89-I138 HydrophobicContact CG1-CD1 3.98Å |
| 90 | L | 89.3 | Confident | 88 | Confident | 12 Ų | 12 | 61 Ų | 61 | 6% | 0.063 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -55.2 | -47.3 | 177.9 | -76 | 171.5 | 0 | 0 | 0 | 112.7 | A86 D87 K92 F93 V94 Y102 I104 T111 I113 | A86-L90 WeakPolarHBondContact O-CG 3.45Å; A86-L90 PolarHBondContact O-N 2.81Å; D87-L90 PolarHBondContact O-N 2.9Å; L90-K92 PolarHBondContact O-N 3.49Å; L90-F93 PolarHBondContact O-N 2.78Å; L90-V94 WeakPolarHBondContact O-CG2 3.49Å; L90-V94 PolarHBondContact O-N 2.99Å; L90-Y102 HydrophobicContact CD1-CD2 3.58Å; L90-Y102 HydrophobicContact CD1-CE2 3.42Å; L90-Y102 VanDerWaalsContact CD1-CE2 3.42Å; L90-Y102 HydrophobicContact CD1-CG 4.24Å; L90-Y102 HydrophobicContact CD2-CD1 4.28Å; L90-Y102 HydrophobicContact CD2-CD2 3.87Å; L90-Y102 HydrophobicContact CD2-CE2 4.46Å; L90-Y102 HydrophobicContact CD2-CG 3.77Å; L90-Y102 HydrophobicContact CG-CD2 4.4Å; L90-I104 HydrophobicContact CD1-CD1 3.45Å; L90-I104 VanDerWaalsContact CD1-CD1 3.45Å; L90-I104 HydrophobicContact CD1-CG1 3.89Å; L90-T111 HydrophobicContact CD2-CG2 4.08Å; L90-I113 HydrophobicContact CD2-CD1 3.84Å; L90-I113 HydrophobicContact CD2-CG1 4.13Å |
| 91 | R | 90.2 | Very high | 87.8 | Confident | 176 Ų | 176 | 62.8 Ų | 62.8 | 66% | 0.664 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -56.6 | -36.4 | 176.1 | -69.8 | 177.8 | -158.5 | -177.9 | 4.4 | 112.5 | D87 I89 | D87-R91 WeakPolarHBondContact O-CG 3.36Å; D87-R91 PolarHBondContact O-N 3.08Å; D87-R91 IonicContact OD1-CZ 2.97Å; D87-R91 IonicContact OD1-NE 2.73Å; D87-R91 PolarHBondContact OD1-NE 2.92Å; D87-R91 IonicContact OD1-NH2 2.63Å; D87-R91 PolarHBondContact OD1-NH2 3.09Å; I89-R91 VanDerWaalsContact C-N 3.35Å; I89-R91 PolarHBondContact O-N 2.91Å |
| 92 | K | 89.2 | Confident | 87.8 | Confident | 97 Ų | 97 | 68.2 Ų | 68.2 | 42% | 0.422 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -73.6 | -33.8 | 174.2 | -83.6 | -46.7 | -163.8 | -177.4 | 0 | 113.6 | M88 I89 L90 V94 E95 F96 F132 | M88-K92 PolarHBondContact O-N 3.3Å; I89-K92 CarbonylContact O-C 3.5Å; I89-K92 WeakPolarHBondContact O-CA 3.31Å; I89-K92 WeakPolarHBondContact O-CB 3.46Å; I89-K92 PolarHBondContact O-N 2.99Å; L90-K92 PolarHBondContact O-N 3.49Å; K92-V94 VanDerWaalsContact C-N 3.29Å; K92-V94 PolarHBondContact O-N 2.73Å; K92-E95 WeakPolarHBondContact CD-OE2 3.31Å; K92-E95 IonicContact NZ-OE2 2.68Å; K92-E95 PolarHBondContact NZ-OE2 2.81Å; K92-E95 VanDerWaalsContact O-CB 3.26Å; K92-E95 WeakPolarHBondContact O-CB 3.47Å; K92-E95 PolarHBondContact O-N 3.21Å; K92-E95 VanDerWaalsContact O-N 3.14Å; K92-F96 WeakPolarHBondContact O-CE2 3.49Å; K92-F132 HydrophobicContact CB-CE1 4.35Å |
| 93 | F | 89.8 | Confident | 87.6 | Confident | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -71.7 | -25 | 178.5 | -86.1 | -110.9 | 0 | 0 | 0 | 113.1 | V78 I89 L90 E95 F96 I99 I113 Y115 A124 F132 I138 V140 | V78-F93 HydrophobicContact CB-CE1 4.42Å; V78-F93 HydrophobicContact CB-CZ 4.27Å; V78-F93 HydrophobicContact CG1-CE1 4.26Å; V78-F93 HydrophobicContact CG1-CE2 4.02Å; V78-F93 HydrophobicContact CG1-CZ 3.63Å; V78-F93 HydrophobicContact CG2-CD1 3.81Å; V78-F93 HydrophobicContact CG2-CE1 3.26Å; V78-F93 HydrophobicContact CG2-CE2 4.31Å; V78-F93 HydrophobicContact CG2-CZ 3.54Å; I89-F93 HydrophobicContact CG2-CD2 3.64Å; I89-F93 HydrophobicContact CG2-CE2 3.55Å; I89-F93 VanDerWaalsContact O-CD2 3.24Å; I89-F93 WeakPolarHBondContact O-CD2 3.44Å; I89-F93 PolarHBondContact O-N 2.81Å; L90-F93 PolarHBondContact O-N 2.78Å; F93-E95 PolarHBondContact O-N 3.23Å; F93-F96 HydrophobicContact CB-CD2 4.45Å; F93-F96 HydrophobicContact CD1-CD2 4.26Å; F93-F96 HydrophobicContact CD2-CE2 4.19Å; F93-F96 HydrophobicContact CE2-CE2 4.45Å; F93-F96 HydrophobicContact CG-CD2 4.21Å; F93-F96 HydrophobicContact CG-CE2 4.26Å; F93-F96 PolarHBondContact O-N 3.4Å; F93-I99 HydrophobicContact CB-CD1 4.15Å; F93-I113 HydrophobicContact CB-CD1 3.84Å; F93-I113 HydrophobicContact CD1-CD1 3.67Å; F93-I113 HydrophobicContact CE1-CD1 4.43Å; F93-I113 HydrophobicContact CG-CD1 3.82Å; F93-Y115 WeakPolarHBondContact CB-OH 3.45Å; F93-Y115 WeakPolarHBondContact CD1-OH 3.46Å; F93-Y115 PolarHBondContact O-OH 3.13Å; F93-A124 HydrophobicContact CD1-CB 3.95Å; F93-A124 HydrophobicContact CE1-CB 3.88Å; F93-F132 HydrophobicContact CE2-CZ 4.32Å; F93-I138 HydrophobicContact CE2-CG2 4.47Å; F93-I138 HydrophobicContact CZ-CG2 4.27Å; F93-V140 HydrophobicContact CE1-CG1 4.14Å; F93-V140 HydrophobicContact CE1-CG2 3.98Å; F93-V140 HydrophobicContact CZ-CG2 3.63Å |
| 94 | V | 90.4 | Very high | 87.6 | Confident | 85 Ų | 85 | 66.9 Ų | 66.9 | 52% | 0.515 | 34% | 0.335 | S | S | . | . | G | 310 helix | trans | -64 | -27.4 | 169.4 | 177 | 0 | 0 | 0 | 0 | 112.1 | L90 K92 F96 G97 I99 | L90-V94 WeakPolarHBondContact O-CG2 3.49Å; L90-V94 PolarHBondContact O-N 2.99Å; K92-V94 VanDerWaalsContact C-N 3.29Å; K92-V94 PolarHBondContact O-N 2.73Å; V94-F96 PolarHBondContact O-N 3.04Å; V94-G97 CarbonylContact C-O 3.57Å; V94-G97 PolarHBondContact O-N 3.43Å; V94-I99 HydrophobicContact CB-CD1 4.45Å; V94-I99 HydrophobicContact CG2-CD1 3.51Å; V94-I99 HydrophobicContact CG2-CG1 4.08Å |
| 95 | E | 89.7 | Confident | 87.2 | Confident | 134 Ų | 134 | 59.2 Ų | 59.2 | 63% | 0.626 | 30% | 0.302 | S | S | * | . | G | 310 helix | trans | -68.6 | -21.6 | 177.3 | -163.4 | 178.5 | 167.9 | 0 | 0 | 112.3 | K92 F93 | K92-E95 WeakPolarHBondContact CD-OE2 3.31Å; K92-E95 IonicContact NZ-OE2 2.68Å; K92-E95 PolarHBondContact NZ-OE2 2.81Å; K92-E95 VanDerWaalsContact O-CB 3.26Å; K92-E95 WeakPolarHBondContact O-CB 3.47Å; K92-E95 PolarHBondContact O-N 3.21Å; K92-E95 VanDerWaalsContact O-N 3.14Å; F93-E95 PolarHBondContact O-N 3.23Å |
| 96 | F | 87.9 | Confident | 86.5 | Confident | 30 Ų | 30 | 64.2 Ų | 64.2 | 13% | 0.132 | 34% | 0.335 | C | S | . | . | G | 310 helix | trans | -85 | -18.1 | 176.8 | -51.9 | -46.4 | 0 | 0 | 0 | 113.1 | K92 F93 V94 L123 A124 K127 | K92-F96 WeakPolarHBondContact O-CE2 3.49Å; F93-F96 HydrophobicContact CB-CD2 4.45Å; F93-F96 HydrophobicContact CD1-CD2 4.26Å; F93-F96 HydrophobicContact CD2-CE2 4.19Å; F93-F96 HydrophobicContact CE2-CE2 4.45Å; F93-F96 HydrophobicContact CG-CD2 4.21Å; F93-F96 HydrophobicContact CG-CE2 4.26Å; F93-F96 PolarHBondContact O-N 3.4Å; V94-F96 PolarHBondContact O-N 3.04Å; F96-L123 HydrophobicContact CB-CB 4.12Å; F96-A124 HydrophobicContact CD2-CB 4.26Å; F96-K127 HydrophobicContact CE1-CD 4.25Å; F96-K127 HydrophobicContact CE1-CG 4.19Å; F96-K127 HydrophobicContact CE2-CG 3.77Å; F96-K127 HydrophobicContact CZ-CD 3.9Å; F96-K127 VanDerWaalsContact CZ-CE 3.42Å; F96-K127 HydrophobicContact CZ-CG 3.61Å |
| 97 | G | 88.3 | Confident | 86 | Confident | 15 Ų | 15 | 69.7 Ų | 69.7 | 16% | 0.155 | 37% | 0.373 | C | S | . | . | S | Bend | trans | 163.6 | -178.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | V94 I99 | V94-G97 CarbonylContact C-O 3.57Å; V94-G97 PolarHBondContact O-N 3.43Å; G97-I99 PolarHBondContact O-N 2.94Å |
| 98 | T | 89.5 | Confident | 85.6 | Confident | 73 Ų | 73 | 68 Ų | 68 | 45% | 0.448 | 37% | 0.367 | S | S | . | . | trans | -73.9 | 110.2 | 179.7 | -48.6 | 0 | 0 | 0 | 0 | 110.4 | C100 Q116 Q120 | T98-C100 PolarHBondContact O-N 3.42Å; T98-Q116 HydrophobicContact CG2-CB 4.48Å; T98-Q116 PolarHBondContact O-N 3.19Å; T98-Q116 PolarHBondContact OG1-OE1 2.85Å; T98-Q120 VanDerWaalsContact N-OE1 3.16Å; T98-Q120 PolarHBondContact O-OE1 3.22Å | ||
| 99 | I | 88.9 | Confident | 85.3 | Confident | 32 Ų | 32 | 68.7 Ų | 68.7 | 16% | 0.164 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 116.9 | 170.7 | -58.9 | -179.2 | 0 | 0 | 0 | 108.2 | F93 V94 G97 C101 Y102 I113 L114 Y115 | F93-I99 HydrophobicContact CB-CD1 4.15Å; V94-I99 HydrophobicContact CB-CD1 4.45Å; V94-I99 HydrophobicContact CG2-CD1 3.51Å; V94-I99 HydrophobicContact CG2-CG1 4.08Å; G97-I99 PolarHBondContact O-N 2.94Å; I99-C101 WeakPolarHBondContact CG2-O 3.24Å; I99-Y102 HydrophobicContact CG2-CD1 3.97Å; I99-I113 HydrophobicContact CB-CG2 4.32Å; I99-I113 HydrophobicContact CD1-CG2 3.78Å; I99-I113 HydrophobicContact CG1-CG2 3.76Å; I99-I113 HydrophobicContact CG2-CG2 3.76Å; I99-L114 CarbonylContact C-O 3.58Å; I99-Y115 HydrophobicContact CG1-CD1 4.42Å; I99-Y115 HydrophobicContact CG1-CE1 3.92Å |
| 100 | C | 85.3 | Confident | 85 | Confident | 68 Ų | 68 | 69.2 Ų | 69.2 | 46% | 0.459 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | -49.5 | 173.5 | -74.8 | 0 | 0 | 0 | 0 | 111 | T98 L114 Q116 | T98-C100 PolarHBondContact O-N 3.42Å; C100-L114 HydrophobicContact CB-CD2 4.17Å; C100-L114 HydrophobicContact CB-CG 4.38Å; C100-L114 PolarHBondContact N-O 2.86Å; C100-Q116 VanDerWaalsContact SG-CA 3.57Å |
| 101 | C | 83.6 | Confident | 85 | Confident | 79 Ų | 79 | 68.8 Ų | 68.8 | 53% | 0.534 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 153.3 | -178.3 | -64.8 | 0 | 0 | 0 | 0 | 109.3 | I99 L114 | I99-C101 WeakPolarHBondContact CG2-O 3.24Å; C101-L114 HydrophobicContact CB-CB 4.22Å; C101-L114 HydrophobicContact CB-CD2 4.48Å; C101-L114 PolarHBondContact N-O 3.48Å; C101-L114 PolarHBondContact O-N 2.77Å |
| 102 | Y | 86.8 | Confident | 84.9 | Confident | 119 Ų | 119 | 62.9 Ų | 62.9 | 47% | 0.467 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 151.8 | 167.1 | 63.5 | -89.6 | 0 | 0 | 0 | 110 | L90 I99 I104 T111 H112 | L90-Y102 HydrophobicContact CD1-CD2 3.58Å; L90-Y102 HydrophobicContact CD1-CE2 3.42Å; L90-Y102 VanDerWaalsContact CD1-CE2 3.42Å; L90-Y102 HydrophobicContact CD1-CG 4.24Å; L90-Y102 HydrophobicContact CD2-CD1 4.28Å; L90-Y102 HydrophobicContact CD2-CD2 3.87Å; L90-Y102 HydrophobicContact CD2-CE2 4.46Å; L90-Y102 HydrophobicContact CD2-CG 3.77Å; L90-Y102 HydrophobicContact CG-CD2 4.4Å; I99-Y102 HydrophobicContact CG2-CD1 3.97Å; Y102-I104 HydrophobicContact CD2-CD1 4.31Å; Y102-I104 HydrophobicContact CD2-CG1 3.79Å; Y102-I104 HydrophobicContact CE2-CD1 3.91Å; Y102-I104 HydrophobicContact CE2-CG1 3.86Å; Y102-T111 HydrophobicContact CD2-CG2 4.47Å; Y102-H112 CarbonylContact C-O 3.58Å; Y102-H112 WeakPolarHBondContact CA-O 3.32Å; Y102-H112 WeakPolarHBondContact CB-O 3.28Å |
| 103 | E | 81.2 | Confident | 84.9 | Confident | 65 Ų | 65 | 58.3 Ų | 58.3 | 30% | 0.304 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 108 | 177.3 | -175.1 | 175.5 | 178.9 | 0 | 0 | 109.2 | T111 H112 | E103-T111 VanDerWaalsContact O-CA 3.29Å; E103-T111 WeakPolarHBondContact O-CA 3.24Å; E103-T111 WeakPolarHBondContact O-CG2 3.33Å; E103-H112 PolarHBondContact N-O 3.24Å; E103-H112 PolarHBondContact O-N 2.68Å |
| 104 | I | 83 | Confident | 84.8 | Confident | 69 Ų | 69 | 60.2 Ų | 60.2 | 35% | 0.354 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 115.9 | 172.1 | -49.6 | 177.1 | 0 | 0 | 0 | 107.7 | A86 L90 Y102 T111 | A86-I104 HydrophobicContact CB-CD1 4.22Å; A86-I104 HydrophobicContact CB-CG2 4.07Å; L90-I104 HydrophobicContact CD1-CD1 3.45Å; L90-I104 VanDerWaalsContact CD1-CD1 3.45Å; L90-I104 HydrophobicContact CD1-CG1 3.89Å; Y102-I104 HydrophobicContact CD2-CD1 4.31Å; Y102-I104 HydrophobicContact CD2-CG1 3.79Å; Y102-I104 HydrophobicContact CE2-CD1 3.91Å; Y102-I104 HydrophobicContact CE2-CG1 3.86Å; I104-T111 HydrophobicContact CG1-CG2 4.11Å |
| 105 | S | 76.8 | Confident | 84.7 | Confident | 24 Ų | 24 | 56.3 Ų | 56.3 | 17% | 0.168 | 32% | 0.32 | C | S | . | . | trans | -87 | 122.3 | 173.1 | -63.8 | 0 | 0 | 0 | 0 | 109.5 | S107 S108 | S105-S107 PolarHBondContact O-N 3.01Å; S105-S108 WeakPolarHBondContact CB-OG 3.44Å; S105-S108 PolarHBondContact O-N 3.14Å | ||
| 106 | P | 72.3 | Confident | 84.4 | Confident | 118 Ų | 118 | 56 Ų | 56 | 77% | 0.766 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -18.8 | -179.2 | 27.5 | -34.8 | 0 | 0 | 0 | 113.1 | ||
| 107 | S | 77.3 | Confident | 84.3 | Confident | 117 Ų | 117 | 56.7 Ų | 56.7 | 82% | 0.818 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.7 | -8.1 | -178.3 | 55 | 0 | 0 | 0 | 0 | 113.9 | S105 | S105-S107 PolarHBondContact O-N 3.01Š|
| 108 | S | 78 | Confident | 84.1 | Confident | 40 Ų | 40 | 63.2 Ų | 63.2 | 28% | 0.28 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -126.8 | 142.3 | 177.1 | 66.2 | 0 | 0 | 0 | 0 | 110.4 | S105 S110 | S105-S108 WeakPolarHBondContact CB-OG 3.44Å; S105-S108 PolarHBondContact O-N 3.14Å; S108-S110 WeakPolarHBondContact CB-OG 3.46Å; S108-S110 PolarHBondContact O-N 3.25Å; S108-S110 PolarHBondContact OG-OG 3.47Å |
| 109 | N | 83.9 | Confident | 84 | Confident | 87 Ų | 87 | 66.5 Ų | 66.5 | 47% | 0.465 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -79 | 38.4 | 178.2 | -64.7 | -18.9 | 0 | 0 | 0 | 110.9 | F79 G80 F81 | F79-N109 WeakPolarHBondContact CA-O 3.42Å; G80-N109 PolarHBondContact N-O 3.41Å; F81-N109 VanDerWaalsContact O-CB 3.28Å; F81-N109 WeakPolarHBondContact O-CB 3.46Å |
| 110 | S | 84.2 | Confident | 84.1 | Confident | 14 Ų | 14 | 66.7 Ų | 66.7 | 10% | 0.098 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 137.1 | -169.8 | 68.5 | 0 | 0 | 0 | 0 | 111.4 | V78 S108 | V78-S110 CarbonylContact O-C 3.55Å; V78-S110 WeakPolarHBondContact O-CA 3.26Å; S108-S110 WeakPolarHBondContact CB-OG 3.46Å; S108-S110 PolarHBondContact O-N 3.25Å; S108-S110 PolarHBondContact OG-OG 3.47Å |
| 111 | T | 88.3 | Confident | 84.3 | Confident | 2 Ų | 2 | 63.5 Ų | 63.5 | 1% | 0.012 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 128.7 | 176.6 | -69.1 | 0 | 0 | 0 | 0 | 108.5 | V78 F81 L90 Y102 E103 I104 I113 | V78-T111 PolarHBondContact N-O 3.31Å; V78-T111 PolarHBondContact O-N 2.9Å; F81-T111 VanDerWaalsContact CZ-OG1 3.26Å; F81-T111 WeakPolarHBondContact CZ-OG1 3.35Å; L90-T111 HydrophobicContact CD2-CG2 4.08Å; Y102-T111 HydrophobicContact CD2-CG2 4.47Å; E103-T111 VanDerWaalsContact O-CA 3.29Å; E103-T111 WeakPolarHBondContact O-CA 3.24Å; E103-T111 WeakPolarHBondContact O-CG2 3.33Å; I104-T111 HydrophobicContact CG1-CG2 4.11Å; T111-I113 HydrophobicContact CG2-CG1 3.96Å |
| 112 | H | 88.3 | Confident | 84.6 | Confident | 53 Ų | 53 | 63.6 Ų | 63.6 | 25% | 0.245 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 131.4 | 170.8 | -59.2 | -81.3 | 0 | 0 | 0 | 108.7 | V76 T77 Y102 E103 | V76-H112 CarbonylContact O-C 3.59Å; T77-H112 WeakPolarHBondContact CG2-CE1 3.34Å; T77-H112 VanDerWaalsContact CG2-ND1 3.31Å; T77-H112 WeakPolarHBondContact CG2-ND1 3.19Å; T77-H112 PolarHBondContact OG1-CE1 2.82Å; T77-H112 PolarHBondContact OG1-ND1 3.34Å; Y102-H112 CarbonylContact C-O 3.58Å; Y102-H112 WeakPolarHBondContact CA-O 3.32Å; Y102-H112 WeakPolarHBondContact CB-O 3.28Å; E103-H112 PolarHBondContact N-O 3.24Å; E103-H112 PolarHBondContact O-N 2.68Å |
| 113 | I | 88.8 | Confident | 84.8 | Confident | 1 Ų | 1 | 62.8 Ų | 62.8 | 1% | 0.005 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 120.5 | -178.3 | -57.6 | 179.8 | 0 | 0 | 0 | 107.8 | C75 V76 V78 L90 F93 I99 T111 Y115 | C75-I113 WeakPolarHBondContact CA-O 2.98Å; V76-I113 HydrophobicContact CG2-CB 3.95Å; V76-I113 PolarHBondContact N-O 3.2Å; V76-I113 PolarHBondContact O-N 3.44Å; V78-I113 HydrophobicContact CG2-CD1 3.61Å; V78-I113 HydrophobicContact CG2-CG1 4.25Å; L90-I113 HydrophobicContact CD2-CD1 3.84Å; L90-I113 HydrophobicContact CD2-CG1 4.13Å; F93-I113 HydrophobicContact CB-CD1 3.84Å; F93-I113 HydrophobicContact CD1-CD1 3.67Å; F93-I113 HydrophobicContact CE1-CD1 4.43Å; F93-I113 HydrophobicContact CG-CD1 3.82Å; I99-I113 HydrophobicContact CB-CG2 4.32Å; I99-I113 HydrophobicContact CD1-CG2 3.78Å; I99-I113 HydrophobicContact CG1-CG2 3.76Å; I99-I113 HydrophobicContact CG2-CG2 3.76Å; T111-I113 HydrophobicContact CG2-CG1 3.96Å; I113-Y115 HydrophobicContact CG2-CD2 4.27Å; I113-Y115 HydrophobicContact CG2-CE2 3.87Å |
| 114 | L | 88 | Confident | 85.3 | Confident | 39 Ų | 39 | 59.7 Ų | 59.7 | 20% | 0.204 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 120.4 | 174.8 | -169.9 | 73.2 | 0 | 0 | 0 | 109.6 | L71 V74 C75 I99 C100 C101 | L71-L114 HydrophobicContact CD2-CD1 3.84Å; L71-L114 HydrophobicContact CD2-CD2 3.97Å; L71-L114 HydrophobicContact CD2-CG 4.5Å; V74-L114 HydrophobicContact CG2-CD1 3.61Å; V74-L114 HydrophobicContact CG2-CG 4.35Å; C75-L114 HydrophobicContact CB-CD1 3.77Å; I99-L114 CarbonylContact C-O 3.58Å; C100-L114 HydrophobicContact CB-CD2 4.17Å; C100-L114 HydrophobicContact CB-CG 4.38Å; C100-L114 PolarHBondContact N-O 2.86Å; C101-L114 HydrophobicContact CB-CB 4.22Å; C101-L114 HydrophobicContact CB-CD2 4.48Å; C101-L114 PolarHBondContact N-O 3.48Å; C101-L114 PolarHBondContact O-N 2.77Å |
| 115 | Y | 89.4 | Confident | 85.7 | Confident | 3 Ų | 3 | 58.5 Ų | 58.5 | 1% | 0.012 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 160 | 173.4 | -76.3 | -77 | 0 | 0 | 0 | 112.3 | V74 V76 F93 I99 I113 S117 Q120 A121 A124 | V74-Y115 WeakPolarHBondContact CB-O 3.32Å; V74-Y115 WeakPolarHBondContact O-CB 3.21Å; V74-Y115 PolarHBondContact O-N 3.43Å; V76-Y115 HydrophobicContact CG2-CD2 4.11Å; V76-Y115 HydrophobicContact CG2-CE2 3.65Å; F93-Y115 WeakPolarHBondContact CB-OH 3.45Å; F93-Y115 WeakPolarHBondContact CD1-OH 3.46Å; F93-Y115 PolarHBondContact O-OH 3.13Å; I99-Y115 HydrophobicContact CG1-CD1 4.42Å; I99-Y115 HydrophobicContact CG1-CE1 3.92Å; I113-Y115 HydrophobicContact CG2-CD2 4.27Å; I113-Y115 HydrophobicContact CG2-CE2 3.87Å; Y115-S117 VanDerWaalsContact C-N 3.3Å; Y115-Q120 HydrophobicContact CD1-CB 3.57Å; Y115-Q120 HydrophobicContact CE1-CB 4.25Å; Y115-Q120 HydrophobicContact CG-CB 3.84Å; Y115-A121 HydrophobicContact CD2-CB 3.99Å; Y115-A124 HydrophobicContact CE2-CB 3.6Å |
| 116 | Q | 83.4 | Confident | 86.3 | Confident | 129 Ų | 129 | 59.5 Ų | 59.5 | 60% | 0.603 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -71.5 | -27 | 173.6 | -169.6 | -179.3 | 14.7 | 0 | 0 | 112.5 | T98 C100 | T98-Q116 HydrophobicContact CG2-CB 4.48Å; T98-Q116 PolarHBondContact O-N 3.19Å; T98-Q116 PolarHBondContact OG1-OE1 2.85Å; C100-Q116 VanDerWaalsContact SG-CA 3.57Å |
| 117 | S | 84.2 | Confident | 87.1 | Confident | 43 Ų | 43 | 56.8 Ų | 56.8 | 30% | 0.301 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -143.3 | 149.1 | -175.5 | -179.8 | 0 | 0 | 0 | 0 | 112.2 | Y115 M119 Q120 A121 | Y115-S117 VanDerWaalsContact C-N 3.3Å; S117-M119 PolarHBondContact O-N 3.08Å; S117-Q120 WeakPolarHBondContact O-CB 3.17Å; S117-Q120 PolarHBondContact O-N 3.48Å; S117-A121 PolarHBondContact O-N 3.05Å |
| 118 | R | 84.5 | Confident | 87.7 | Confident | 152 Ų | 152 | 55.5 Ų | 55.5 | 57% | 0.574 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -61 | -32.1 | 178.7 | -176.7 | 176 | -175.9 | -170.4 | 1 | 112.5 | V74 Q120 A121 N122 | V74-R118 HydrophobicContact CG1-CB 4.26Å; R118-Q120 VanDerWaalsContact C-N 3.29Å; R118-Q120 PolarHBondContact O-N 2.98Å; R118-A121 PolarHBondContact O-N 3.3Å; R118-N122 WeakPolarHBondContact O-CB 3.29Å; R118-N122 VanDerWaalsContact O-CG 3.31Å; R118-N122 PolarHBondContact O-N 2.91Å; R118-N122 PolarHBondContact O-ND2 2.88Å |
| 119 | M | 87.2 | Confident | 88.2 | Confident | 142 Ų | 142 | 55.2 Ų | 55.2 | 70% | 0.7 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -62.3 | -40 | 175.8 | -63.8 | -163 | -52 | 0 | 0 | 111.5 | S117 N122 L123 | S117-M119 PolarHBondContact O-N 3.08Å; M119-N122 PolarHBondContact O-N 2.98Å; M119-L123 WeakPolarHBondContact O-CG 3.47Å; M119-L123 PolarHBondContact O-N 2.97Å |
| 120 | Q | 90.9 | Very high | 88.6 | Confident | 36 Ų | 36 | 55.8 Ų | 55.8 | 17% | 0.168 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -68.2 | -43.2 | 179 | -60.1 | 171.6 | -7.7 | 0 | 0 | 110.8 | T98 Y115 S117 R118 N122 L123 A124 | T98-Q120 VanDerWaalsContact N-OE1 3.16Å; T98-Q120 PolarHBondContact O-OE1 3.22Å; Y115-Q120 HydrophobicContact CD1-CB 3.57Å; Y115-Q120 HydrophobicContact CE1-CB 4.25Å; Y115-Q120 HydrophobicContact CG-CB 3.84Å; S117-Q120 WeakPolarHBondContact O-CB 3.17Å; S117-Q120 PolarHBondContact O-N 3.48Å; R118-Q120 VanDerWaalsContact C-N 3.29Å; R118-Q120 PolarHBondContact O-N 2.98Å; Q120-N122 VanDerWaalsContact C-N 3.34Å; Q120-N122 PolarHBondContact O-N 3.37Å; Q120-L123 WeakPolarHBondContact O-CB 3.46Å; Q120-L123 PolarHBondContact O-N 3.33Å; Q120-A124 PolarHBondContact O-N 2.91Å; Q120-A124 VanDerWaalsContact O-N 3.09Å |
| 121 | A | 89.5 | Confident | 88.8 | Confident | 1 Ų | 1 | 60.9 Ų | 60.9 | 1% | 0.008 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -57.8 | -44.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | V76 Y115 S117 R118 L123 A124 L125 | V76-A121 HydrophobicContact CG1-CB 3.8Å; Y115-A121 HydrophobicContact CD2-CB 3.99Å; S117-A121 PolarHBondContact O-N 3.05Å; R118-A121 PolarHBondContact O-N 3.3Å; A121-L123 VanDerWaalsContact C-N 3.34Å; A121-L123 PolarHBondContact O-N 3.02Å; A121-A124 WeakPolarHBondContact O-CB 3.26Å; A121-A124 PolarHBondContact O-N 3.22Å; A121-A124 VanDerWaalsContact O-N 3.16Å; A121-L125 WeakPolarHBondContact O-CG 3.38Å; A121-L125 PolarHBondContact O-N 3.25Å |
| 122 | N | 90.2 | Very high | 88.7 | Confident | 82 Ų | 82 | 62.1 Ų | 62.1 | 44% | 0.439 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62.2 | -37.3 | 176.1 | -75.8 | -22.2 | 0 | 0 | 0 | 113.2 | R118 M119 Q120 A124 L125 G126 | R118-N122 WeakPolarHBondContact O-CB 3.29Å; R118-N122 VanDerWaalsContact O-CG 3.31Å; R118-N122 PolarHBondContact O-N 2.91Å; R118-N122 PolarHBondContact O-ND2 2.88Å; M119-N122 PolarHBondContact O-N 2.98Å; Q120-N122 VanDerWaalsContact C-N 3.34Å; Q120-N122 PolarHBondContact O-N 3.37Å; N122-A124 VanDerWaalsContact C-N 3.32Å; N122-L125 PolarHBondContact O-N 3.25Å; N122-G126 PolarHBondContact O-N 3.08Å |
| 123 | L | 91.5 | Very high | 88.4 | Confident | 101 Ų | 101 | 62 Ų | 62 | 53% | 0.529 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -63.1 | -41 | 174.6 | -71.3 | 172.7 | 0 | 0 | 0 | 111.5 | F96 M119 Q120 A121 G126 | F96-L123 HydrophobicContact CB-CB 4.12Å; M119-L123 WeakPolarHBondContact O-CG 3.47Å; M119-L123 PolarHBondContact O-N 2.97Å; Q120-L123 WeakPolarHBondContact O-CB 3.46Å; Q120-L123 PolarHBondContact O-N 3.33Å; A121-L123 VanDerWaalsContact C-N 3.34Å; A121-L123 PolarHBondContact O-N 3.02Å; L123-G126 PolarHBondContact O-N 2.85Å |
| 124 | A | 91.2 | Very high | 88.2 | Confident | 0 Ų | 0 | 69.8 Ų | 69.8 | 0% | 0 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -65.3 | -42.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | V76 F93 F96 Y115 Q120 A121 N122 G126 K127 | V76-A124 HydrophobicContact CG2-CB 4.31Å; F93-A124 HydrophobicContact CD1-CB 3.95Å; F93-A124 HydrophobicContact CE1-CB 3.88Å; F96-A124 HydrophobicContact CD2-CB 4.26Å; Y115-A124 HydrophobicContact CE2-CB 3.6Å; Q120-A124 PolarHBondContact O-N 2.91Å; Q120-A124 VanDerWaalsContact O-N 3.09Å; A121-A124 WeakPolarHBondContact O-CB 3.26Å; A121-A124 PolarHBondContact O-N 3.22Å; A121-A124 VanDerWaalsContact O-N 3.16Å; N122-A124 VanDerWaalsContact C-N 3.32Å; A124-G126 PolarHBondContact O-N 3.17Å; A124-K127 VanDerWaalsContact O-CB 3.31Å; A124-K127 WeakPolarHBondContact O-CB 3.5Å; A124-K127 PolarHBondContact O-N 2.86Å |
| 125 | L | 90.9 | Very high | 88.2 | Confident | 45 Ų | 45 | 77 Ų | 77 | 24% | 0.236 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -58.8 | -33.4 | 174.8 | -71.1 | 172.6 | 0 | 0 | 0 | 112.6 | V76 A121 N122 K127 N128 V140 | V76-L125 HydrophobicContact CG1-CD2 4.15Å; V76-L125 HydrophobicContact CG1-CG 4.03Å; A121-L125 WeakPolarHBondContact O-CG 3.38Å; A121-L125 PolarHBondContact O-N 3.25Å; N122-L125 PolarHBondContact O-N 3.25Å; L125-K127 PolarHBondContact O-N 2.87Å; L125-N128 WeakPolarHBondContact O-CB 3.13Å; L125-N128 PolarHBondContact O-N 3.43Å; L125-V140 HydrophobicContact CD2-CG1 4.01Å |
| 126 | G | 90.5 | Very high | 88.1 | Confident | 44 Ų | 44 | 77.5 Ų | 77.5 | 45% | 0.454 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -2.7 | 173 | 0 | 0 | 0 | 0 | 0 | 114.8 | N122 L123 A124 K130 | N122-G126 PolarHBondContact O-N 3.08Å; L123-G126 PolarHBondContact O-N 2.85Å; A124-G126 PolarHBondContact O-N 3.17Å; G126-K130 VanDerWaalsContact O-CE 3.31Å; G126-K130 WeakPolarHBondContact O-CE 3.44Å; G126-K130 PolarHBondContact O-NZ 2.92Å |
| 127 | K | 89.1 | Confident | 88.4 | Confident | 61 Ų | 61 | 77.1 Ų | 77.1 | 27% | 0.265 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | 0.6 | 172.5 | -55.1 | -62.7 | 175.3 | 151.3 | 0 | 113.7 | F96 A124 L125 G129 K130 F132 V140 | F96-K127 HydrophobicContact CE1-CD 4.25Å; F96-K127 HydrophobicContact CE1-CG 4.19Å; F96-K127 HydrophobicContact CE2-CG 3.77Å; F96-K127 HydrophobicContact CZ-CD 3.9Å; F96-K127 VanDerWaalsContact CZ-CE 3.42Å; F96-K127 HydrophobicContact CZ-CG 3.61Å; A124-K127 VanDerWaalsContact O-CB 3.31Å; A124-K127 WeakPolarHBondContact O-CB 3.5Å; A124-K127 PolarHBondContact O-N 2.86Å; L125-K127 PolarHBondContact O-N 2.87Å; K127-G129 PolarHBondContact O-N 2.78Å; K127-K130 HydrophobicContact CD-CD 3.74Å; K127-K130 WeakPolarHBondContact O-CB 3.46Å; K127-K130 PolarHBondContact O-N 2.77Å; K127-K130 VanDerWaalsContact O-N 3.08Å; K127-F132 HydrophobicContact CB-CE2 4.19Å; K127-F132 HydrophobicContact CB-CZ 3.92Å; K127-F132 HydrophobicContact CD-CZ 4.45Å; K127-F132 HydrophobicContact CG-CZ 4.22Å; K127-V140 HydrophobicContact CB-CG2 4.4Å |
| 128 | N | 90.7 | Very high | 88.7 | Confident | 90 Ų | 90 | 75.1 Ų | 75.1 | 48% | 0.481 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | 130.4 | 172.5 | -172.6 | 37.3 | 0 | 0 | 0 | 111.3 | L125 K130 D139 V140 | L125-N128 WeakPolarHBondContact O-CB 3.13Å; L125-N128 PolarHBondContact O-N 3.43Å; N128-K130 VanDerWaalsContact C-N 3.29Å; N128-K130 PolarHBondContact O-N 3.09Å; N128-D139 VanDerWaalsContact OD1-CA 3.25Å; N128-D139 WeakPolarHBondContact OD1-CA 3.18Å; N128-D139 WeakPolarHBondContact OD1-CB 3.33Å; N128-D139 PolarHBondContact OD1-OD1 3.3Å; N128-V140 HydrophobicContact CB-CB 4.29Å; N128-V140 WeakPolarHBondContact CB-O 3.34Å; N128-V140 PolarHBondContact OD1-N 3.27Å; N128-V140 PolarHBondContact OD1-O 2.79Å |
| 129 | G | 88.4 | Confident | 89.1 | Confident | 35 Ų | 35 | 70.8 Ų | 70.8 | 36% | 0.361 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.1 | 7.1 | -179 | 0 | 0 | 0 | 0 | 0 | 116 | K127 I138 D139 | K127-G129 PolarHBondContact O-N 2.78Å; G129-I138 WeakPolarHBondContact CA-O 3.42Å; G129-I138 PolarHBondContact N-O 3.01Å; G129-D139 VanDerWaalsContact CA-OD1 3.3Å; G129-D139 WeakPolarHBondContact CA-OD1 3.31Å; G129-D139 PolarHBondContact N-OD1 3.27Å |
| 130 | K | 91.2 | Very high | 89.3 | Confident | 99 Ų | 99 | 64.2 Ų | 64.2 | 43% | 0.43 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 146.2 | 179.1 | -67.4 | -170.1 | -180 | 155.8 | 0 | 111.8 | G126 K127 N128 F132 I138 | G126-K130 VanDerWaalsContact O-CE 3.31Å; G126-K130 WeakPolarHBondContact O-CE 3.44Å; G126-K130 PolarHBondContact O-NZ 2.92Å; K127-K130 HydrophobicContact CD-CD 3.74Å; K127-K130 WeakPolarHBondContact O-CB 3.46Å; K127-K130 PolarHBondContact O-N 2.77Å; K127-K130 VanDerWaalsContact O-N 3.08Å; N128-K130 VanDerWaalsContact C-N 3.29Å; N128-K130 PolarHBondContact O-N 3.09Å; K130-F132 HydrophobicContact CB-CD2 4.48Å; K130-F132 HydrophobicContact CB-CE2 4.08Å; K130-F132 WeakPolarHBondContact O-CD2 3.41Å; K130-I138 PolarHBondContact N-O 3.27Å; K130-I138 PolarHBondContact O-N 3.08Å |
| 131 | I | 88.2 | Confident | 89.3 | Confident | 120 Ų | 120 | 67.3 Ų | 67.3 | 62% | 0.615 | 35% | 0.351 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 117.8 | 175 | -57.1 | 174.7 | 0 | 0 | 0 | 108.7 | I136 | I131-I136 CarbonylContact C-O 3.48Å; I131-I136 WeakPolarHBondContact CA-O 3.49Å |
| 132 | F | 85.7 | Confident | 89.2 | Confident | 29 Ų | 29 | 70.3 Ų | 70.3 | 13% | 0.127 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 144.4 | 173.1 | -73 | -101.3 | 0 | 0 | 0 | 110.3 | I89 K92 F93 K127 K130 N134 R135 I136 I138 | I89-F132 HydrophobicContact CD1-CB 4.21Å; I89-F132 HydrophobicContact CD1-CG 4.37Å; K92-F132 HydrophobicContact CB-CE1 4.35Å; F93-F132 HydrophobicContact CE2-CZ 4.32Å; K127-F132 HydrophobicContact CB-CE2 4.19Å; K127-F132 HydrophobicContact CB-CZ 3.92Å; K127-F132 HydrophobicContact CD-CZ 4.45Å; K127-F132 HydrophobicContact CG-CZ 4.22Å; K130-F132 HydrophobicContact CB-CD2 4.48Å; K130-F132 HydrophobicContact CB-CE2 4.08Å; K130-F132 WeakPolarHBondContact O-CD2 3.41Å; F132-N134 PolarHBondContact O-N 3.13Å; F132-R135 PolarHBondContact O-N 3.15Å; F132-I136 PolarHBondContact N-O 3.46Å; F132-I136 PolarHBondContact O-N 3.34Å; F132-I138 HydrophobicContact CB-CG1 4.06Å; F132-I138 HydrophobicContact CD2-CB 3.58Å; F132-I138 HydrophobicContact CD2-CG1 3.25Å; F132-I138 HydrophobicContact CE2-CB 3.71Å; F132-I138 HydrophobicContact CE2-CG1 3.84Å; F132-I138 HydrophobicContact CE2-CG2 4.26Å; F132-I138 HydrophobicContact CG-CG1 3.84Å |
| 133 | A | 83.5 | Confident | 88.8 | Confident | 51 Ų | 51 | 67.4 Ų | 67.4 | 42% | 0.421 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.8 | 29.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | M88 R135 | M88-A133 HydrophobicContact CE-CB 3.88Å; M88-A133 HydrophobicContact SD-CB 4.1Å; A133-R135 WeakPolarHBondContact O-CG 3.13Å; A133-R135 PolarHBondContact O-N 3.31Å |
| 134 | N | 84.9 | Confident | 87.6 | Confident | 163 Ų | 163 | 67.7 Ų | 67.7 | 87% | 0.872 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.4 | 8.6 | -179.6 | -62.4 | 81.5 | 0 | 0 | 0 | 115.8 | F132 | F132-N134 PolarHBondContact O-N 3.13Š|
| 135 | R | 87.7 | Confident | 86 | Confident | 192 Ų | 192 | 71.7 Ų | 71.7 | 73% | 0.725 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -143.5 | -15 | -173.8 | 74.8 | -166.3 | -174.8 | 178.6 | 2.1 | 114.9 | F132 A133 | F132-R135 PolarHBondContact O-N 3.15Å; A133-R135 WeakPolarHBondContact O-CG 3.13Å; A133-R135 PolarHBondContact O-N 3.31Å |
| 136 | I | 87.4 | Confident | 83.9 | Confident | 13 Ų | 13 | 77.7 Ų | 77.7 | 7% | 0.067 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 120.6 | -174.1 | -50.3 | 173.9 | 0 | 0 | 0 | 108.4 | G80 F81 T85 M88 I131 F132 I138 | G80-I136 WeakPolarHBondContact O-CG2 3.45Å; F81-I136 HydrophobicContact CB-CG2 4.15Å; T85-I136 HydrophobicContact CG2-CD1 3.68Å; M88-I136 HydrophobicContact CE-CD1 3.86Å; I131-I136 CarbonylContact C-O 3.48Å; I131-I136 WeakPolarHBondContact CA-O 3.49Å; F132-I136 PolarHBondContact N-O 3.46Å; F132-I136 PolarHBondContact O-N 3.34Å; I136-I138 HydrophobicContact CG2-CD1 3.6Å; I136-I138 HydrophobicContact CG2-CG1 4.27Å |
| 137 | K | 89.2 | Confident | 81.6 | Confident | 121 Ų | 121 | 80.8 Ų | 80.8 | 53% | 0.526 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 119.9 | 172.8 | -174 | -172.2 | 172.6 | -160 | 0 | 108.6 | G80 | G80-K137 VanDerWaalsContact O-O 3.11Å |
| 138 | I | 91.2 | Very high | 79.2 | Confident | 0 Ų | 0 | 84.3 Ų | 84.3 | 0% | 0 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 132.1 | 179.9 | -57.1 | -65.6 | 0 | 0 | 0 | 109.3 | V78 F79 F81 I89 F93 G129 K130 F132 I136 V140 | V78-I138 HydrophobicContact CG1-CG2 3.31Å; F79-I138 WeakPolarHBondContact O-CA 2.96Å; F81-I138 HydrophobicContact CB-CD1 3.62Å; F81-I138 HydrophobicContact CD1-CD1 3.92Å; F81-I138 HydrophobicContact CG-CD1 4.25Å; I89-I138 HydrophobicContact CD1-CD1 3.58Å; I89-I138 HydrophobicContact CD1-CG1 3.87Å; I89-I138 HydrophobicContact CG1-CD1 3.98Å; F93-I138 HydrophobicContact CE2-CG2 4.47Å; F93-I138 HydrophobicContact CZ-CG2 4.27Å; G129-I138 WeakPolarHBondContact CA-O 3.42Å; G129-I138 PolarHBondContact N-O 3.01Å; K130-I138 PolarHBondContact N-O 3.27Å; K130-I138 PolarHBondContact O-N 3.08Å; F132-I138 HydrophobicContact CB-CG1 4.06Å; F132-I138 HydrophobicContact CD2-CB 3.58Å; F132-I138 HydrophobicContact CD2-CG1 3.25Å; F132-I138 HydrophobicContact CE2-CB 3.71Å; F132-I138 HydrophobicContact CE2-CG1 3.84Å; F132-I138 HydrophobicContact CE2-CG2 4.26Å; F132-I138 HydrophobicContact CG-CG1 3.84Å; I136-I138 HydrophobicContact CG2-CD1 3.6Å; I136-I138 HydrophobicContact CG2-CG1 4.27Å; I138-V140 HydrophobicContact CG2-CG2 4.04Å |
| 139 | D | 92.3 | Very high | 77 | Confident | 61 Ų | 61 | 90.8 Ų | 90.8 | 33% | 0.326 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 141.2 | 169.1 | -68.4 | -35.3 | 0 | 0 | 0 | 109 | V78 F79 N128 G129 | V78-D139 CarbonylContact C-O 3.6Å; V78-D139 WeakPolarHBondContact CA-O 3.39Å; F79-D139 PolarHBondContact N-O 2.73Å; F79-D139 PolarHBondContact O-N 2.63Å; N128-D139 VanDerWaalsContact OD1-CA 3.25Å; N128-D139 WeakPolarHBondContact OD1-CA 3.18Å; N128-D139 WeakPolarHBondContact OD1-CB 3.33Å; N128-D139 PolarHBondContact OD1-OD1 3.3Å; G129-D139 VanDerWaalsContact CA-OD1 3.3Å; G129-D139 WeakPolarHBondContact CA-OD1 3.31Å; G129-D139 PolarHBondContact N-OD1 3.27Å |
| 140 | V | 92.1 | Very high | 74.5 | Confident | 4 Ų | 4 | 95 Ų | 95 | 2% | 0.024 | 49% | 0.486 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 119.7 | -177.1 | -166.8 | 0 | 0 | 0 | 0 | 107.8 | V76 T77 V78 F93 L125 K127 N128 I138 | V76-V140 HydrophobicContact CB-CG1 4.03Å; V76-V140 HydrophobicContact CG2-CG1 4.25Å; T77-V140 WeakPolarHBondContact O-CA 3.28Å; V78-V140 HydrophobicContact CG1-CG2 4.47Å; V78-V140 HydrophobicContact CG2-CG1 4.35Å; F93-V140 HydrophobicContact CE1-CG1 4.14Å; F93-V140 HydrophobicContact CE1-CG2 3.98Å; F93-V140 HydrophobicContact CZ-CG2 3.63Å; L125-V140 HydrophobicContact CD2-CG1 4.01Å; K127-V140 HydrophobicContact CB-CG2 4.4Å; N128-V140 HydrophobicContact CB-CB 4.29Å; N128-V140 WeakPolarHBondContact CB-O 3.34Å; N128-V140 PolarHBondContact OD1-N 3.27Å; N128-V140 PolarHBondContact OD1-O 2.79Å; I138-V140 HydrophobicContact CG2-CG2 4.04Å |
| 141 | E | 90 | Very high | 72.3 | Confident | 101 Ų | 101 | 95.4 Ų | 95.4 | 47% | 0.472 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 145.9 | -178.2 | -163.1 | 172.2 | 176.9 | 0 | 0 | 109.1 | V76 T77 F79 V144 | V76-E141 CarbonylContact C-O 3.53Å; V76-E141 WeakPolarHBondContact CA-O 3.4Å; T77-E141 PolarHBondContact N-O 2.93Å; T77-E141 PolarHBondContact O-N 2.87Å; F79-E141 HydrophobicContact CE2-CB 4.24Å; E141-V144 HydrophobicContact CG-CG2 4.25Å |
| 142 | P | 87.9 | Confident | 70 | Confident | 64 Ų | 64 | 93.4 Ų | 93.4 | 42% | 0.416 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.5 | 152 | 167.9 | 26 | -36.1 | 0 | 0 | 0 | 110 | V144 | P142-V144 WeakPolarHBondContact O-CG2 3.39Å; P142-V144 PolarHBondContact O-N 3.02Å |
| 143 | C | 80.9 | Confident | 68.2 | Low | 21 Ų | 21 | 96.8 Ų | 96.8 | 14% | 0.142 | 55% | 0.55 | C | S | . | * | trans | -60.7 | 123.2 | 174.5 | -164.4 | 0 | 0 | 0 | 0 | 109.9 | C75 | C75-C143 HydrophobicContact CB-CB 3.51Å; C75-C143 PolarHBondContact O-N 3.47Å; C75-C143 VanDerWaalsContact SG-CB 3.5Å | ||
| 144 | V | 67.4 | Low | 66.4 | Low | 107 Ų | 107 | 98.2 Ų | 98.2 | 65% | 0.648 | 57% | 0.57 | S | S | * | * | trans | -108 | 53.3 | -178 | -154 | 0 | 0 | 0 | 0 | 109.5 | E141 P142 | E141-V144 HydrophobicContact CG-CG2 4.25Å; P142-V144 WeakPolarHBondContact O-CG2 3.39Å; P142-V144 PolarHBondContact O-N 3.02Å | ||
| 145 | D | 57 | Low | 64.4 | Low | 85 Ų | 85 | 94.2 Ų | 94.2 | 46% | 0.455 | 57% | 0.568 | S | S | . | * | trans | -106.1 | 99.8 | -179.2 | -97.9 | -55.4 | 0 | 0 | 0 | 113.3 | V147 | D145-V147 PolarHBondContact O-N 3Š| ||
| 146 | K | 46.6 | Very low | 63.1 | Low | 171 Ų | 171 | 94.5 Ų | 94.5 | 74% | 0.743 | 57% | 0.574 | S | S | * | * | S | Bend | trans | 73.1 | 22.9 | 144.2 | -57.2 | 176.3 | -166.7 | -69.4 | 0 | 120.5 | T148 | K146-T148 PolarHBondContact O-N 2.95Å; K146-T148 VanDerWaalsContact O-N 3.16Å |
| 147 | V | 42.1 | Very low | 61.8 | Low | 108 Ų | 108 | 103.8 Ų | 103.8 | 66% | 0.655 | 61% | 0.614 | S | S | * | * | trans | -86.5 | 48.8 | 156.8 | -177.4 | 0 | 0 | 0 | 0 | 111.3 | D145 | D145-V147 PolarHBondContact O-N 3Š| ||
| 148 | T | 39 | Very low | 60.6 | Low | 135 Ų | 135 | 112.2 Ų | 112.2 | 83% | 0.828 | 64% | 0.642 | S | S | * | * | trans | -111.8 | 20.4 | 165.4 | -16.6 | 0 | 0 | 0 | 0 | 112.1 | K146 | K146-T148 PolarHBondContact O-N 2.95Å; K146-T148 VanDerWaalsContact O-N 3.16Å | ||
| 149 | R | 44.5 | Very low | 59.1 | Low | 227 Ų | 227 | 117.8 Ų | 117.8 | 86% | 0.857 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -126.1 | 104.5 | 170.8 | -90.1 | 169.1 | 64.7 | 139.1 | -5.6 | 110.9 | ||
| 150 | S | 36.2 | Very low | 57.3 | Low | 123 Ų | 123 | 120.8 Ų | 120.8 | 86% | 0.86 | 69% | 0.693 | S | S | * | * | S | Bend | trans | 87.8 | 57.3 | 160.5 | -54.6 | 0 | 0 | 0 | 0 | 119 | ||
| 151 | A | 43.7 | Very low | 55.4 | Low | 108 Ų | 108 | 127.3 Ų | 127.3 | 89% | 0.893 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -140.3 | 29.7 | 151.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 152 | G | 40.7 | Very low | 53.4 | Low | 78 Ų | 78 | 128.8 Ų | 128.8 | 80% | 0.804 | 75% | 0.745 | S | S | * | * | trans | -126.6 | 70.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 153 | A | 47.6 | Very low | 51.2 | Low | 99 Ų | 99 | 132.9 Ų | 132.9 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | trans | -151.7 | 86.1 | 155.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | G155 | A153-G155 PolarHBondContact O-N 2.8Å; A153-G155 VanDerWaalsContact O-N 3.16Å | ||
| 154 | G | 46.6 | Very low | 49.2 | Very low | 82 Ų | 82 | 140.3 Ų | 140.3 | 85% | 0.845 | 81% | 0.807 | S | S | * | * | trans | -60.9 | 111.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111 | K156 | G154-K156 PolarHBondContact O-N 3.02Å; G154-K156 VanDerWaalsContact O-N 3.07Å | ||
| 155 | G | 43.3 | Very low | 47.9 | Very low | 79 Ų | 79 | 142.7 Ų | 142.7 | 81% | 0.814 | 82% | 0.818 | S | S | * | * | trans | -71.9 | 89.9 | 162.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | A153 K157 | A153-G155 PolarHBondContact O-N 2.8Å; A153-G155 VanDerWaalsContact O-N 3.16Å; G155-K157 PolarHBondContact O-N 2.69Å; G155-K157 VanDerWaalsContact O-N 3.14Å | ||
| 156 | K | 59.8 | Low | 47.2 | Very low | 197 Ų | 197 | 147.2 Ų | 147.2 | 86% | 0.857 | 85% | 0.846 | S | S | * | * | trans | -77.8 | 91.4 | 169.3 | -148.6 | 171 | -167.6 | 172.2 | 0 | 107.9 | G154 R158 | G154-K156 PolarHBondContact O-N 3.02Å; G154-K156 VanDerWaalsContact O-N 3.07Å; K156-R158 PolarHBondContact O-N 3.43Å | ||
| 157 | K | 58.9 | Low | 47.3 | Very low | 208 Ų | 208 | 145.2 Ų | 145.2 | 90% | 0.904 | 86% | 0.855 | S | S | * | * | trans | -70.3 | 108.5 | 166.8 | -169.2 | 171 | -179.3 | 174.7 | 0 | 107.5 | G155 | G155-K157 PolarHBondContact O-N 2.69Å; G155-K157 VanDerWaalsContact O-N 3.14Å | ||
| 158 | R | 65.2 | Low | 47.8 | Very low | 298 Ų | 298 | 148.5 Ų | 148.5 | 100% | 1.125 | 87% | 0.873 | S | S | * | * | trans | -99.3 | 0 | 157.7 | -69 | -177.2 | 77.5 | 176.7 | 4.3 | 107.7 | K156 | K156-R158 PolarHBondContact O-N 3.43Š|
Retrieved 158 of 158 residues in 139.5 ms
(Link to these results)